A0A077Z6L8_TRITR Loading...

valine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077Z6L8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,002 aa.

						>A0A077Z6L8_TRITR|A0A077Z6L8
MSEVSDSTGLALQDDCQQARLMAKKEKEKAKEAKRMAKLEKFQQKQQAMTQKTNAATDKKKQKEKSERQVITYDIPTEQGAKKDVTAPLPSAYSPRYVESCWYAWWEKCGFFKPEYGLKSPVEFSSNEKFVIVIPPPNVTGTLHLGHALANSIEDCLTRWHRMKGHITLWNPGCDHAGIATQVVVEKKLWRQMKRTRHDLGREAFLKEVWKWKNEKGHYIYDQLKALGSSLDWDRACFTMDEKMCRAVTEAFVRMHEDGTIYRSVRLVNWSCSLRSAISDIEVDKLELTGRTFLSVPGYKDKVEFGVLVSFAYPIDSADERIVVATTRVETMLGDTAVAVHPDDPRYRHLHNKWCVHPFLGRKIPIVTDPFVDMSFGTGAVKITPAHDQNDYDVGRRHNLPLVTCFTDDGLMTADCGPFAGMKRFDARREVTEALKRKGLFVEVVENPMVVPICRQYSDSVYVVSFPTDFLCSRSRDVVEPLLKAQWYVKCDEMARKAVDAVNDGRLRILPEFHVKTWRSWMENIRDWCISRQLWWGHRIPAYFVTVAGCPKGDDVDDKFWVSGRTEEEALQKASIRFNVPKENISLRQDEDVLDTWFSSGLFPFSIFGWPEQTNDLKNFFPGTLLETGYDILFFWVARMVFLAQKLTDKLPFTTVYLHSIVRDAHGRKMSKSLGNVIDPLDVIHGISLSALHKQLESGNLGAAEIARAKEGQRRDYPDGIPECGTDALRFALCAYTGQSRDINLDVLRVQGYRFFCNKIWNACRFTLMTLGEEFKVEKVFKLSGFETMVDQWILSRLSTAVHLCNEGFQTYEFNKVTSACHSFWLYELCDVYLECIKPIMLFGSEHTRRACQLVLCFCVDAALRLLSPFMPFITEELWQRLPRSSGKQPDSICVAAYPDAFEFPWKNEALDENMSFLLSIVKCVRSLRTDYDLTTKTKTKLFLSIRDADDVEFLSKCTDIISVLSNCSSVDINADVPPTGCATFPLSSRCIIHLLLERITL
					

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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	40.6	Very low	39.6	Very low	232 Å²	232	121.1 Å²	121.1	100%	1.143	72%	0.72	S	S	*	*				0	57.1	0	-60.7	-170.5	-172.9	0	0	107.2
2	S	31.2	Very low	40.1	Very low	98 Å²	98	121.4 Å²	121.4	69%	0.685	72%	0.715	S	S	*	*				55.5	108.5	56	67.2	0	0	0	0	112.4
3	E	32.1	Very low	40.7	Very low	186 Å²	186	122.9 Å²	122.9	87%	0.869	71%	0.711	S	S	*	*			trans	74.1	142.3	151.4	-61	174.4	165.9	0	0	117.8
4	V	36.1	Very low	41.4	Very low	141 Å²	141	121.1 Å²	121.1	86%	0.855	70%	0.697	S	S	*	*			trans	97.4	85.7	170.5	-162.8	0	0	0	0	115.1
5	S	41.7	Very low	42.4	Very low	87 Å²	87	119.9 Å²	119.9	61%	0.608	69%	0.688	S	S	*	*				168.7	13.3	122.6	53.2	0	0	0	0	115.5	S7 T8	S5-S7 PolarHBondContact O-N 3.26Å; S5-T8 PolarHBondContact O-OG1 3.02Å
6	D	41.4	Very low	43.3	Very low	162 Å²	162	116.3 Å²	116.3	87%	0.866	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	6.1	172.9	-103.3	-17.8	0	0	0	115
7	S	41.5	Very low	44.4	Very low	99 Å²	99	116.6 Å²	116.6	69%	0.692	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-9.2	178.1	59.3	0	0	0	0	114.7	S5	S5-S7 PolarHBondContact O-N 3.26Å
8	T	42.9	Very low	45.4	Very low	94 Å²	94	117 Å²	117	58%	0.577	66%	0.66	S	S	*	*	H	α-helix	trans	-90	-17.4	179.1	35.3	0	0	0	0	114.5	S5	S5-T8 PolarHBondContact O-OG1 3.02Å
9	G	41.8	Very low	46.5	Very low	46 Å²	46	114.1 Å²	114.1	47%	0.474	65%	0.652	S	S	.	*	H	α-helix	trans	-79	-32.4	-178.6	0	0	0	0	0	114.8
10	L	42.4	Very low	47.5	Very low	129 Å²	129	117.5 Å²	117.5	68%	0.675	65%	0.654	S	S	*	*	H	α-helix	trans	-79.7	-33.4	-178.3	-84.7	150.7	0	0	0	112.9	Q13 D14	L10-Q13 PolarHBondContact O-N 3.44Å; L10-D14 PolarHBondContact O-N 3.41Å
11	A	44.2	Very low	48.4	Very low	58 Å²	58	117 Å²	117	48%	0.479	65%	0.649	S	S	.	*	H	α-helix	trans	-68.3	-35.6	176.9	0	0	0	0	0	112.8	D15	A11-D15 PolarHBondContact O-N 2.83Å
12	L	45.7	Very low	49.7	Very low	125 Å²	125	112.3 Å²	112.3	65%	0.654	63%	0.626	S	S	*	*	H	α-helix	trans	-73.3	-26	179.2	-77.7	165	0	0	0	113.5	C16	L12-C16 WeakPolarHBondContact O-CB 2.94Å; L12-C16 PolarHBondContact O-N 2.75Å
13	Q	47.8	Very low	51.6	Low	141 Å²	141	110.1 Å²	110.1	66%	0.659	61%	0.614	S	S	*	*	H	α-helix	trans	-77.6	-38.6	174.6	-82.3	-174.4	-15.2	0	0	112.2	L10 C16 Q17	L10-Q13 PolarHBondContact O-N 3.44Å; Q13-C16 PolarHBondContact O-N 3.36Å; Q13-Q17 PolarHBondContact O-N 3.02Å
14	D	50.8	Low	53.4	Low	98 Å²	98	107.9 Å²	107.9	52%	0.524	60%	0.601	S	S	.	*	H	α-helix	trans	-67.7	-40.3	177.3	-109.3	-17.7	0	0	0	112.2	L10 C16 Q17 Q18	L10-D14 PolarHBondContact O-N 3.41Å; D14-C16 VanDerWaalsContact C-N 3.33Å; D14-C16 PolarHBondContact O-N 3.39Å; D14-Q17 PolarHBondContact O-N 3.11Å; D14-Q18 PolarHBondContact O-N 3.24Å
15	D	55.2	Low	55.1	Low	103 Å²	103	107.7 Å²	107.7	55%	0.551	59%	0.589	S	S	*	*	H	α-helix	trans	-64.2	-37.7	175.4	-82.4	-16.9	0	0	0	112.2	A11 Q17 A19	A11-D15 PolarHBondContact O-N 2.83Å; D15-Q17 VanDerWaalsContact C-N 3.34Å; D15-A19 VanDerWaalsContact O-CB 3.27Å; D15-A19 WeakPolarHBondContact O-CB 3.46Å; D15-A19 PolarHBondContact O-N 2.92Å
16	C	58.2	Low	56.6	Low	62 Å²	62	110.2 Å²	110.2	42%	0.419	59%	0.591	S	S	.	*	H	α-helix	trans	-69.8	-32.9	177	-164.8	0	0	0	0	111.9	L12 Q13 D14 R20	L12-C16 WeakPolarHBondContact O-CB 2.94Å; L12-C16 PolarHBondContact O-N 2.75Å; Q13-C16 PolarHBondContact O-N 3.36Å; D14-C16 VanDerWaalsContact C-N 3.33Å; D14-C16 PolarHBondContact O-N 3.39Å; C16-R20 VanDerWaalsContact O-CG 3.3Å; C16-R20 WeakPolarHBondContact O-CG 3.39Å; C16-R20 PolarHBondContact O-N 3.42Å; C16-R20 VanDerWaalsContact O-N 3.14Å
17	Q	60.7	Low	58.1	Low	122 Å²	122	110.6 Å²	110.6	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-74	-40.7	175.5	-126.3	173.5	-19.2	0	0	112.1	Q13 D14 D15 R20 L21	Q13-Q17 PolarHBondContact O-N 3.02Å; D14-Q17 PolarHBondContact O-N 3.11Å; D15-Q17 VanDerWaalsContact C-N 3.34Å; Q17-R20 PolarHBondContact O-N 2.94Å; Q17-L21 PolarHBondContact O-N 2.88Å
18	Q	62.8	Low	59.6	Low	123 Å²	123	111.6 Å²	111.6	58%	0.575	58%	0.579	S	S	*	*	H	α-helix	trans	-65	-41.4	173.4	-75.2	-170.5	7.4	0	0	112.1	D14 R20 L21 M22	D14-Q18 PolarHBondContact O-N 3.24Å; Q18-R20 VanDerWaalsContact C-N 3.33Å; Q18-R20 PolarHBondContact O-N 3.32Å; Q18-L21 PolarHBondContact O-N 2.8Å; Q18-M22 WeakPolarHBondContact O-CB 3.43Å; Q18-M22 VanDerWaalsContact O-CG 3.26Å; Q18-M22 WeakPolarHBondContact O-CG 3.25Å; Q18-M22 PolarHBondContact O-N 3.11Å
19	A	66.1	Low	61.1	Low	61 Å²	61	114.5 Å²	114.5	50%	0.504	58%	0.583	S	S	.	*	H	α-helix	trans	-61.4	-40	174.8	0	0	0	0	0	112.2	D15 M22 A23	D15-A19 VanDerWaalsContact O-CB 3.27Å; D15-A19 WeakPolarHBondContact O-CB 3.46Å; D15-A19 PolarHBondContact O-N 2.92Å; A19-M22 PolarHBondContact O-N 3.31Å; A19-A23 WeakPolarHBondContact O-CB 3.42Å; A19-A23 PolarHBondContact O-N 3.34Å
20	R	66.3	Low	62.7	Low	183 Å²	183	115.1 Å²	115.1	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-66.9	-38.6	175.2	-76.6	175.2	179.8	-172.9	1.3	112.8	C16 Q17 Q18 K24	C16-R20 VanDerWaalsContact O-CG 3.3Å; C16-R20 WeakPolarHBondContact O-CG 3.39Å; C16-R20 PolarHBondContact O-N 3.42Å; C16-R20 VanDerWaalsContact O-N 3.14Å; Q17-R20 PolarHBondContact O-N 2.94Å; Q18-R20 VanDerWaalsContact C-N 3.33Å; Q18-R20 PolarHBondContact O-N 3.32Å; R20-K24 WeakPolarHBondContact O-CB 3.3Å; R20-K24 PolarHBondContact O-N 3.47Å
21	L	66.9	Low	64.3	Low	106 Å²	106	117 Å²	117	56%	0.555	59%	0.586	S	S	*	*	H	α-helix	trans	-67.4	-40.6	175.4	-92.6	153.2	0	0	0	112.2	Q17 Q18 K24 K25	Q17-L21 PolarHBondContact O-N 2.88Å; Q18-L21 PolarHBondContact O-N 2.8Å; L21-K24 PolarHBondContact O-N 3.46Å; L21-K25 PolarHBondContact O-N 3.37Å
22	M	68.3	Low	65.7	Low	134 Å²	134	120.4 Å²	120.4	66%	0.66	59%	0.592	S	S	*	*	H	α-helix	trans	-62.9	-48	174.2	-72.7	-93.6	-107.9	0	0	111.2	Q18 A19 K24 K25 E26	Q18-M22 WeakPolarHBondContact O-CB 3.43Å; Q18-M22 VanDerWaalsContact O-CG 3.26Å; Q18-M22 WeakPolarHBondContact O-CG 3.25Å; Q18-M22 PolarHBondContact O-N 3.11Å; A19-M22 PolarHBondContact O-N 3.31Å; M22-K24 VanDerWaalsContact C-N 3.27Å; M22-K24 PolarHBondContact O-N 2.7Å; M22-K25 PolarHBondContact O-N 3.33Å; M22-E26 PolarHBondContact O-N 3.24Å
23	A	70.3	Confident	67.2	Low	52 Å²	52	117.3 Å²	117.3	43%	0.43	59%	0.585	S	S	.	*	H	α-helix	trans	-62.1	-33.5	177	0	0	0	0	0	112.8	A19 K27	A19-A23 WeakPolarHBondContact O-CB 3.42Å; A19-A23 PolarHBondContact O-N 3.34Å; A23-K27 PolarHBondContact O-N 2.85Å
24	K	71.3	Confident	68.7	Low	140 Å²	140	118.6 Å²	118.6	61%	0.609	59%	0.588	S	S	*	*	H	α-helix	trans	-70.6	-42.6	175.2	-160.4	176.9	-179.2	-175.6	0	111.5	R20 L21 M22 K27 E28	R20-K24 WeakPolarHBondContact O-CB 3.3Å; R20-K24 PolarHBondContact O-N 3.47Å; L21-K24 PolarHBondContact O-N 3.46Å; M22-K24 VanDerWaalsContact C-N 3.27Å; M22-K24 PolarHBondContact O-N 2.7Å; K24-K27 PolarHBondContact O-N 3.39Å; K24-E28 PolarHBondContact O-N 3.22Å
25	K	70.7	Confident	70	Confident	136 Å²	136	122.9 Å²	122.9	59%	0.591	60%	0.597	S	S	*	*	H	α-helix	trans	-63.5	-38.6	173.6	-79.8	-177.6	175.8	178.5	0	112.4	L21 M22 E28 K29	L21-K25 PolarHBondContact O-N 3.37Å; M22-K25 PolarHBondContact O-N 3.33Å; K25-E28 PolarHBondContact O-N 2.64Å; K25-K29 WeakPolarHBondContact O-CG 3.49Å; K25-K29 PolarHBondContact O-N 2.89Å
26	E	73.3	Confident	71	Confident	141 Å²	141	123.6 Å²	123.6	66%	0.659	60%	0.599	S	S	*	*	H	α-helix	trans	-66.7	-40	174.7	-76.8	-173.4	154.1	0	0	112.3	M22 E28 K29 A30	M22-E26 PolarHBondContact O-N 3.24Å; E26-E28 VanDerWaalsContact C-N 3.34Å; E26-E28 PolarHBondContact O-N 2.66Å; E26-K29 PolarHBondContact O-N 2.86Å; E26-A30 WeakPolarHBondContact O-CB 3.27Å; E26-A30 PolarHBondContact O-N 3.26Å
27	K	73.8	Confident	72	Confident	170 Å²	170	123.1 Å²	123.1	74%	0.739	60%	0.599	S	S	*	*	H	α-helix	trans	-63.1	-38.1	173.1	-101.8	-178.2	176.5	174.8	0	112.8	A23 K24 K31	A23-K27 PolarHBondContact O-N 2.85Å; K24-K27 PolarHBondContact O-N 3.39Å; K27-K31 PolarHBondContact O-N 3.39Å
28	E	71.6	Confident	72.9	Confident	120 Å²	120	125.3 Å²	125.3	56%	0.561	61%	0.607	S	S	*	*	H	α-helix	trans	-67.8	-46.2	174.6	-81.9	179.4	162.5	0	0	111.8	K24 K25 E26 A30 K31 E32	K24-E28 PolarHBondContact O-N 3.22Å; K25-E28 PolarHBondContact O-N 2.64Å; E26-E28 VanDerWaalsContact C-N 3.34Å; E26-E28 PolarHBondContact O-N 2.66Å; E28-A30 VanDerWaalsContact C-N 3.3Å; E28-A30 PolarHBondContact O-N 3.44Å; E28-K31 WeakPolarHBondContact O-CB 3.46Å; E28-K31 PolarHBondContact O-N 3.38Å; E28-K31 VanDerWaalsContact O-N 3.1Å; E28-E32 WeakPolarHBondContact O-CB 3.29Å; E28-E32 PolarHBondContact O-N 3.22Å
29	K	74.2	Confident	73.5	Confident	155 Å²	155	123.4 Å²	123.4	67%	0.674	60%	0.6	S	S	*	*	H	α-helix	trans	-57.7	-40.7	172.9	-78.7	-175.8	175.6	-177.3	0	112.3	K25 E26 E32 A33	K25-K29 WeakPolarHBondContact O-CG 3.49Å; K25-K29 PolarHBondContact O-N 2.89Å; E26-K29 PolarHBondContact O-N 2.86Å; K29-E32 PolarHBondContact O-N 3.14Å; K29-A33 VanDerWaalsContact O-CB 3.28Å; K29-A33 WeakPolarHBondContact O-CB 3.39Å; K29-A33 PolarHBondContact O-N 3.35Å
30	A	76.5	Confident	74.1	Confident	58 Å²	58	126 Å²	126	48%	0.479	60%	0.602	S	S	.	*	H	α-helix	trans	-67.2	-35.4	176.6	0	0	0	0	0	112.7	E26 E28 K34	E26-A30 WeakPolarHBondContact O-CB 3.27Å; E26-A30 PolarHBondContact O-N 3.26Å; E28-A30 VanDerWaalsContact C-N 3.3Å; E28-A30 PolarHBondContact O-N 3.44Å; A30-K34 WeakPolarHBondContact O-CB 3.29Å; A30-K34 PolarHBondContact O-N 2.96Å
31	K	74.9	Confident	74.6	Confident	168 Å²	168	124.5 Å²	124.5	73%	0.73	60%	0.6	S	S	*	*	H	α-helix	trans	-67.9	-42.2	173.2	-101.5	-175.5	175	-178.9	0	111.7	K27 E28 K34 R35	K27-K31 PolarHBondContact O-N 3.39Å; E28-K31 WeakPolarHBondContact O-CB 3.46Å; E28-K31 PolarHBondContact O-N 3.38Å; E28-K31 VanDerWaalsContact O-N 3.1Å; K31-K34 PolarHBondContact O-N 2.92Å; K31-R35 PolarHBondContact O-N 3.33Å
32	E	74	Confident	75.1	Confident	130 Å²	130	125.6 Å²	125.6	61%	0.607	60%	0.601	S	S	*	*	H	α-helix	trans	-68.5	-41.8	179.4	-162.5	166.5	-150.6	0	0	111.3	E28 K29 K34 R35 M36	E28-E32 WeakPolarHBondContact O-CB 3.29Å; E28-E32 PolarHBondContact O-N 3.22Å; K29-E32 PolarHBondContact O-N 3.14Å; E32-K34 PolarHBondContact O-N 3.37Å; E32-R35 WeakPolarHBondContact O-CB 3.32Å; E32-R35 PolarHBondContact O-N 3.4Å; E32-R35 VanDerWaalsContact O-N 3.1Å; E32-M36 WeakPolarHBondContact O-CG 3.4Å; E32-M36 PolarHBondContact O-N 3.48Å
33	A	78.2	Confident	75.4	Confident	60 Å²	60	123.9 Å²	123.9	50%	0.496	59%	0.591	S	S	.	*	H	α-helix	trans	-60.2	-42	171.2	0	0	0	0	0	112.2	K29 R35 M36 A37	K29-A33 VanDerWaalsContact O-CB 3.28Å; K29-A33 WeakPolarHBondContact O-CB 3.39Å; K29-A33 PolarHBondContact O-N 3.35Å; A33-R35 VanDerWaalsContact C-N 3.33Å; A33-R35 PolarHBondContact O-N 3.36Å; A33-M36 PolarHBondContact O-N 2.82Å; A33-A37 VanDerWaalsContact O-CB 3.3Å; A33-A37 WeakPolarHBondContact O-CB 3.32Å; A33-A37 PolarHBondContact O-N 2.97Å
34	K	78.7	Confident	75.6	Confident	168 Å²	168	127.1 Å²	127.1	73%	0.73	60%	0.597	S	S	*	*	H	α-helix	trans	-63.9	-35.8	173	-94.6	-176.7	175.5	176.9	0	112.9	A30 K31 E32 K38	A30-K34 WeakPolarHBondContact O-CB 3.29Å; A30-K34 PolarHBondContact O-N 2.96Å; K31-K34 PolarHBondContact O-N 2.92Å; E32-K34 PolarHBondContact O-N 3.37Å; K34-K38 WeakPolarHBondContact O-CB 3.4Å; K34-K38 PolarHBondContact O-N 3.46Å; K34-K38 VanDerWaalsContact O-N 3.07Å
35	R	78.6	Confident	75.7	Confident	188 Å²	188	127.9 Å²	127.9	71%	0.709	60%	0.601	S	S	*	*	H	α-helix	trans	-70.2	-44.3	177.5	-169.7	-179.1	173.8	-170.7	-1.8	110.9	K31 E32 A33 K38 L39	K31-R35 PolarHBondContact O-N 3.33Å; E32-R35 WeakPolarHBondContact O-CB 3.32Å; E32-R35 PolarHBondContact O-N 3.4Å; E32-R35 VanDerWaalsContact O-N 3.1Å; A33-R35 VanDerWaalsContact C-N 3.33Å; A33-R35 PolarHBondContact O-N 3.36Å; R35-K38 WeakPolarHBondContact O-CB 3.46Å; R35-K38 PolarHBondContact O-N 2.85Å; R35-L39 PolarHBondContact O-N 2.97Å
36	M	75.4	Confident	75.5	Confident	119 Å²	119	126.6 Å²	126.6	59%	0.586	60%	0.597	S	S	*	*	H	α-helix	trans	-62.4	-45.6	174.6	-74.7	-64.8	-73.8	0	0	111.7	E32 A33 K38 L39 E40	E32-M36 WeakPolarHBondContact O-CG 3.4Å; E32-M36 PolarHBondContact O-N 3.48Å; A33-M36 PolarHBondContact O-N 2.82Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 2.86Å; M36-L39 CarbonylContact O-C 3.41Å; M36-L39 WeakPolarHBondContact O-CA 3.27Å; M36-L39 WeakPolarHBondContact O-CB 3.17Å; M36-L39 PolarHBondContact O-N 3.23Å; M36-E40 PolarHBondContact O-N 3.18Å
37	A	80.1	Confident	75.3	Confident	51 Å²	51	125.7 Å²	125.7	42%	0.421	59%	0.592	S	S	.	*	H	α-helix	trans	-62.5	-33.2	175.5	0	0	0	0	0	112.8	A33 K41	A33-A37 VanDerWaalsContact O-CB 3.3Å; A33-A37 WeakPolarHBondContact O-CB 3.32Å; A33-A37 PolarHBondContact O-N 2.97Å; A37-K41 WeakPolarHBondContact O-CB 3.48Å; A37-K41 PolarHBondContact O-N 2.85Å
38	K	78.2	Confident	75	Confident	168 Å²	168	120 Å²	120	73%	0.73	58%	0.577	S	S	*	*	H	α-helix	trans	-68.7	-39.7	171.4	-106.9	-174.4	175.9	-176.1	0	112	K34 R35 M36 K41 F42	K34-K38 WeakPolarHBondContact O-CB 3.4Å; K34-K38 PolarHBondContact O-N 3.46Å; K34-K38 VanDerWaalsContact O-N 3.07Å; R35-K38 WeakPolarHBondContact O-CB 3.46Å; R35-K38 PolarHBondContact O-N 2.85Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 2.86Å; K38-K41 PolarHBondContact O-N 3.41Å; K38-F42 WeakPolarHBondContact O-CB 3.3Å; K38-F42 PolarHBondContact O-N 3.45Å
39	L	76.2	Confident	74.6	Confident	84 Å²	84	120.9 Å²	120.9	44%	0.44	58%	0.583	S	S	.	*	H	α-helix	trans	-68	-41.9	178.1	-131	112.2	0	0	0	111.2	R35 M36 F42 Q43	R35-L39 PolarHBondContact O-N 2.97Å; M36-L39 CarbonylContact O-C 3.41Å; M36-L39 WeakPolarHBondContact O-CA 3.27Å; M36-L39 WeakPolarHBondContact O-CB 3.17Å; M36-L39 PolarHBondContact O-N 3.23Å; L39-F42 CarbonylContact O-C 3.54Å; L39-F42 WeakPolarHBondContact O-CB 3.49Å; L39-F42 PolarHBondContact O-N 3.14Å; L39-Q43 WeakPolarHBondContact O-CB 3.35Å; L39-Q43 WeakPolarHBondContact O-CG 3.36Å; L39-Q43 PolarHBondContact O-N 2.78Å
40	E	78.2	Confident	73.8	Confident	116 Å²	116	116.8 Å²	116.8	54%	0.542	57%	0.571	S	S	.	*	H	α-helix	trans	-63	-44.6	172	-99.7	-175.5	156.3	0	0	111.5	M36 F42 Q43 Q44	M36-E40 PolarHBondContact O-N 3.18Å; E40-F42 VanDerWaalsContact C-N 3.25Å; E40-F42 PolarHBondContact O-N 2.94Å; E40-Q43 PolarHBondContact O-N 2.82Å; E40-Q44 VanDerWaalsContact O-CB 3.31Å; E40-Q44 WeakPolarHBondContact O-CB 3.41Å; E40-Q44 WeakPolarHBondContact O-CG 3.33Å; E40-Q44 PolarHBondContact O-N 3.12Å
41	K	77.6	Confident	72.7	Confident	151 Å²	151	120.5 Å²	120.5	66%	0.657	58%	0.579	S	S	*	*	H	α-helix	trans	-62	-34.5	173.3	-100.9	-177.3	174.1	177	0	112.4	A37 K38 K45	A37-K41 WeakPolarHBondContact O-CB 3.48Å; A37-K41 PolarHBondContact O-N 2.85Å; K38-K41 PolarHBondContact O-N 3.41Å; K41-K45 WeakPolarHBondContact O-CB 3.37Å; K41-K45 PolarHBondContact O-N 2.91Å
42	F	76.8	Confident	71.6	Confident	129 Å²	129	120.5 Å²	120.5	57%	0.566	58%	0.579	S	S	*	*	H	α-helix	trans	-70.5	-43.8	175.8	-176.2	-97.8	0	0	0	111.2	K38 L39 E40 K45 Q46	K38-F42 WeakPolarHBondContact O-CB 3.3Å; K38-F42 PolarHBondContact O-N 3.45Å; L39-F42 CarbonylContact O-C 3.54Å; L39-F42 WeakPolarHBondContact O-CB 3.49Å; L39-F42 PolarHBondContact O-N 3.14Å; E40-F42 VanDerWaalsContact C-N 3.25Å; E40-F42 PolarHBondContact O-N 2.94Å; F42-K45 PolarHBondContact O-N 3.39Å; F42-Q46 PolarHBondContact O-N 3.09Å
43	Q	74.9	Confident	70.3	Confident	98 Å²	98	118.4 Å²	118.4	46%	0.458	58%	0.575	S	S	.	*	H	α-helix	trans	-66.6	-38.9	175	-76.6	-179.2	-10.3	0	0	112.4	L39 E40 Q46 Q47	L39-Q43 WeakPolarHBondContact O-CB 3.35Å; L39-Q43 WeakPolarHBondContact O-CG 3.36Å; L39-Q43 PolarHBondContact O-N 2.78Å; E40-Q43 PolarHBondContact O-N 2.82Å; Q43-Q46 CarbonylContact O-C 3.56Å; Q43-Q46 WeakPolarHBondContact O-CB 3.39Å; Q43-Q46 PolarHBondContact O-N 3.41Å; Q43-Q47 WeakPolarHBondContact O-CB 3.25Å; Q43-Q47 WeakPolarHBondContact O-CG 3.33Å; Q43-Q47 PolarHBondContact O-N 3.03Å
44	Q	74	Confident	68.6	Low	119 Å²	119	119.9 Å²	119.9	56%	0.556	57%	0.574	S	S	*	*	H	α-helix	trans	-65.4	-38.3	171.8	-77.3	-179.4	1.1	0	0	111.5	E40 A48	E40-Q44 VanDerWaalsContact O-CB 3.31Å; E40-Q44 WeakPolarHBondContact O-CB 3.41Å; E40-Q44 WeakPolarHBondContact O-CG 3.33Å; E40-Q44 PolarHBondContact O-N 3.12Å; Q44-A48 WeakPolarHBondContact O-CB 3.4Å; Q44-A48 PolarHBondContact O-N 3.21Å
45	K	73.1	Confident	66.9	Low	156 Å²	156	114.5 Å²	114.5	68%	0.678	56%	0.561	S	S	*	*	H	α-helix	trans	-65.7	-38.6	171.2	-91.1	-172.8	172.5	-173.6	0	112.1	K41 F42 M49	K41-K45 WeakPolarHBondContact O-CB 3.37Å; K41-K45 PolarHBondContact O-N 2.91Å; F42-K45 PolarHBondContact O-N 3.39Å; K45-M49 WeakPolarHBondContact O-CB 3.42Å; K45-M49 WeakPolarHBondContact O-CG 3.42Å; K45-M49 PolarHBondContact O-N 3.41Å
46	Q	68.2	Low	65.1	Low	110 Å²	110	108 Å²	108	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-51.6	174.4	-116.6	179.7	1.7	0	0	110.3	F42 Q43 A48 M49 T50	F42-Q46 PolarHBondContact O-N 3.09Å; Q43-Q46 CarbonylContact O-C 3.56Å; Q43-Q46 WeakPolarHBondContact O-CB 3.39Å; Q43-Q46 PolarHBondContact O-N 3.41Å; Q46-A48 VanDerWaalsContact C-N 3.33Å; Q46-A48 PolarHBondContact O-N 3.02Å; Q46-M49 CarbonylContact O-C 3.58Å; Q46-M49 WeakPolarHBondContact O-CA 3.47Å; Q46-M49 WeakPolarHBondContact O-CB 3.44Å; Q46-M49 PolarHBondContact O-N 3.5Å; Q46-T50 PolarHBondContact O-N 2.82Å; Q46-T50 PolarHBondContact O-OG1 3.46Å
47	Q	67.7	Low	63.2	Low	121 Å²	121	105.4 Å²	105.4	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-61.3	-37.6	176.7	-75.3	-179.9	-4.6	0	0	112.5	Q43 T50 Q51	Q43-Q47 WeakPolarHBondContact O-CB 3.25Å; Q43-Q47 WeakPolarHBondContact O-CG 3.33Å; Q43-Q47 PolarHBondContact O-N 3.03Å; Q47-T50 PolarHBondContact O-N 3.46Å; Q47-Q51 VanDerWaalsContact O-CB 3.32Å; Q47-Q51 WeakPolarHBondContact O-CB 3.13Å; Q47-Q51 WeakPolarHBondContact O-CG 3.39Å; Q47-Q51 PolarHBondContact O-N 3.24Å
48	A	68.6	Low	61.1	Low	51 Å²	51	107.7 Å²	107.7	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-69.4	-33.7	173.7	0	0	0	0	0	112	Q44 Q46 K52	Q44-A48 WeakPolarHBondContact O-CB 3.4Å; Q44-A48 PolarHBondContact O-N 3.21Å; Q46-A48 VanDerWaalsContact C-N 3.33Å; Q46-A48 PolarHBondContact O-N 3.02Å; A48-K52 VanDerWaalsContact O-CB 3.29Å; A48-K52 WeakPolarHBondContact O-CB 3.36Å; A48-K52 PolarHBondContact O-N 3.45Å
49	M	63	Low	59.1	Low	138 Å²	138	108.1 Å²	108.1	68%	0.68	55%	0.546	S	S	*	.	H	α-helix	trans	-68.7	-40	169.3	-83.9	-174.5	-179.5	0	0	111.6	K45 Q46 K52 T53	K45-M49 WeakPolarHBondContact O-CB 3.42Å; K45-M49 WeakPolarHBondContact O-CG 3.42Å; K45-M49 PolarHBondContact O-N 3.41Å; Q46-M49 CarbonylContact O-C 3.58Å; Q46-M49 WeakPolarHBondContact O-CA 3.47Å; Q46-M49 WeakPolarHBondContact O-CB 3.44Å; Q46-M49 PolarHBondContact O-N 3.5Å; M49-K52 PolarHBondContact O-N 3.34Å; M49-T53 PolarHBondContact O-N 2.93Å; M49-T53 PolarHBondContact O-OG1 3.24Å
50	T	57.7	Low	57	Low	69 Å²	69	111.2 Å²	111.2	42%	0.423	56%	0.555	S	S	.	*	H	α-helix	trans	-67.9	-38.4	176.7	-34.3	0	0	0	0	111.3	Q46 Q47 T53 N54	Q46-T50 PolarHBondContact O-N 2.82Å; Q46-T50 PolarHBondContact O-OG1 3.46Å; Q47-T50 PolarHBondContact O-N 3.46Å; T50-T53 WeakPolarHBondContact CA-OG1 3.45Å; T50-T53 PolarHBondContact O-N 3.35Å; T50-T53 PolarHBondContact O-OG1 2.78Å; T50-T53 VanDerWaalsContact O-OG1 3.13Å; T50-N54 VanDerWaalsContact O-CB 3.26Å; T50-N54 WeakPolarHBondContact O-CB 3.38Å; T50-N54 PolarHBondContact O-N 3.15Å; T50-N54 PolarHBondContact O-ND2 3.09Å
51	Q	53.6	Low	54.8	Low	137 Å²	137	113.1 Å²	113.1	64%	0.64	56%	0.562	S	S	*	*	H	α-helix	trans	-72	-35.7	173.6	-77.2	179.8	-1.9	0	0	112	Q47 N54 A55	Q47-Q51 VanDerWaalsContact O-CB 3.32Å; Q47-Q51 WeakPolarHBondContact O-CB 3.13Å; Q47-Q51 WeakPolarHBondContact O-CG 3.39Å; Q47-Q51 PolarHBondContact O-N 3.24Å; Q51-N54 PolarHBondContact O-N 3.14Å; Q51-A55 VanDerWaalsContact O-CB 3.25Å; Q51-A55 WeakPolarHBondContact O-CB 3.38Å; Q51-A55 PolarHBondContact O-N 3.33Å
52	K	51.7	Low	52.6	Low	168 Å²	168	114.8 Å²	114.8	73%	0.73	57%	0.572	S	S	*	*	H	α-helix	trans	-67.2	-36.3	170.1	-89.4	-174.7	172.4	-178.2	0	112.5	A48 M49 A56	A48-K52 VanDerWaalsContact O-CB 3.29Å; A48-K52 WeakPolarHBondContact O-CB 3.36Å; A48-K52 PolarHBondContact O-N 3.45Å; M49-K52 PolarHBondContact O-N 3.34Å; K52-A56 WeakPolarHBondContact O-CB 3.02Å; K52-A56 PolarHBondContact O-N 3.44Å
53	T	46.6	Very low	50.4	Low	85 Å²	85	116.3 Å²	116.3	52%	0.521	58%	0.579	S	S	.	*	H	α-helix	trans	-69.4	-40.5	172.9	23.1	0	0	0	0	110.9	M49 T50 A56 T57	M49-T53 PolarHBondContact O-N 2.93Å; M49-T53 PolarHBondContact O-OG1 3.24Å; T50-T53 WeakPolarHBondContact CA-OG1 3.45Å; T50-T53 PolarHBondContact O-N 3.35Å; T50-T53 PolarHBondContact O-OG1 2.78Å; T50-T53 VanDerWaalsContact O-OG1 3.13Å; T53-A56 CarbonylContact O-C 3.58Å; T53-A56 PolarHBondContact O-N 3.47Å; T53-T57 PolarHBondContact O-N 3.46Å; T53-T57 PolarHBondContact O-OG1 3.48Å
54	N	41.8	Very low	48.4	Very low	91 Å²	91	120 Å²	120	49%	0.487	60%	0.596	S	S	.	*	H	α-helix	trans	-66.3	-42.6	177	-73.6	-9.9	0	0	0	112.9	T50 Q51 T57 D58	T50-N54 VanDerWaalsContact O-CB 3.26Å; T50-N54 WeakPolarHBondContact O-CB 3.38Å; T50-N54 PolarHBondContact O-N 3.15Å; T50-N54 PolarHBondContact O-ND2 3.09Å; Q51-N54 PolarHBondContact O-N 3.14Å; N54-T57 VanDerWaalsContact C-OG1 3.29Å; N54-T57 WeakPolarHBondContact CA-OG1 3.4Å; N54-T57 CarbonylContact O-C 3.59Å; N54-T57 PolarHBondContact O-N 3.42Å; N54-T57 PolarHBondContact O-OG1 2.75Å; N54-D58 PolarHBondContact O-N 2.71Å
55	A	42.3	Very low	46.4	Very low	56 Å²	56	123.4 Å²	123.4	46%	0.463	61%	0.609	S	S	.	*	H	α-helix	trans	-70.4	-30.3	174.3	0	0	0	0	0	112.7	Q51 K59	Q51-A55 VanDerWaalsContact O-CB 3.25Å; Q51-A55 WeakPolarHBondContact O-CB 3.38Å; Q51-A55 PolarHBondContact O-N 3.33Å; A55-K59 PolarHBondContact O-N 3.43Å
56	A	41.1	Very low	44.5	Very low	50 Å²	50	120.5 Å²	120.5	41%	0.413	61%	0.608	S	S	.	*	H	α-helix	trans	-73.3	-29.6	170.3	0	0	0	0	0	112.2	K52 T53 K60	K52-A56 WeakPolarHBondContact O-CB 3.02Å; K52-A56 PolarHBondContact O-N 3.44Å; T53-A56 CarbonylContact O-C 3.58Å; T53-A56 PolarHBondContact O-N 3.47Å; A56-K60 WeakPolarHBondContact O-CB 3.22Å; A56-K60 WeakPolarHBondContact O-CG 3.48Å; A56-K60 PolarHBondContact O-N 3.14Å
57	T	36.1	Very low	43.2	Very low	66 Å²	66	124 Å²	124	41%	0.405	62%	0.624	S	S	.	*	H	α-helix	trans	-75.8	-31	170.4	35.2	0	0	0	0	113	T53 N54 K60 K61	T53-T57 PolarHBondContact O-N 3.46Å; T53-T57 PolarHBondContact O-OG1 3.48Å; N54-T57 VanDerWaalsContact C-OG1 3.29Å; N54-T57 WeakPolarHBondContact CA-OG1 3.4Å; N54-T57 CarbonylContact O-C 3.59Å; N54-T57 PolarHBondContact O-N 3.42Å; N54-T57 PolarHBondContact O-OG1 2.75Å; T57-K60 CarbonylContact O-C 3.52Å; T57-K60 PolarHBondContact O-N 3.38Å; T57-K61 WeakPolarHBondContact O-CB 3.46Å; T57-K61 WeakPolarHBondContact O-CG 3.44Å; T57-K61 PolarHBondContact O-N 3.49Å
58	D	36.5	Very low	42.5	Very low	98 Å²	98	129.2 Å²	129.2	52%	0.524	64%	0.639	S	S	.	*	H	α-helix	trans	-76.5	-35.1	174.7	-79.5	-24.8	0	0	0	112.3	N54 K60 K61 Q62	N54-D58 PolarHBondContact O-N 2.71Å; D58-K60 VanDerWaalsContact C-N 3.3Å; D58-K60 PolarHBondContact O-N 3.41Å; D58-K61 PolarHBondContact O-N 3.03Å; D58-Q62 PolarHBondContact O-N 2.9Å
59	K	35.6	Very low	41.9	Very low	178 Å²	178	135.3 Å²	135.3	77%	0.774	66%	0.658	S	S	*	*	H	α-helix	trans	-71.2	-22.2	165.8	-79.4	-173.4	176.3	-179	0	113.5	A55	A55-K59 PolarHBondContact O-N 3.43Å
60	K	32.3	Very low	42.5	Very low	148 Å²	148	132.3 Å²	132.3	64%	0.643	65%	0.648	S	S	*	*	H	α-helix	trans	-86.1	-8.8	167.9	-86.3	178.8	173.2	174.2	0	113.9	A56 T57 D58 K63	A56-K60 WeakPolarHBondContact O-CB 3.22Å; A56-K60 WeakPolarHBondContact O-CG 3.48Å; A56-K60 PolarHBondContact O-N 3.14Å; T57-K60 CarbonylContact O-C 3.52Å; T57-K60 PolarHBondContact O-N 3.38Å; D58-K60 VanDerWaalsContact C-N 3.3Å; D58-K60 PolarHBondContact O-N 3.41Å; K60-K63 CarbonylContact O-C 3.48Å
61	K	31.2	Very low	43.8	Very low	157 Å²	157	131.4 Å²	131.4	68%	0.683	64%	0.64	S	S	*	*	H	α-helix	trans	-85.1	-18.5	171.9	-86.8	176.7	177.9	176.6	0	112.4	T57 D58	T57-K61 WeakPolarHBondContact O-CB 3.46Å; T57-K61 WeakPolarHBondContact O-CG 3.44Å; T57-K61 PolarHBondContact O-N 3.49Å; D58-K61 PolarHBondContact O-N 3.03Å
62	Q	31.5	Very low	45.5	Very low	185 Å²	185	127.7 Å²	127.7	86%	0.864	63%	0.626	S	S	*	*	S	Bend	trans	-92.7	-7.6	169.5	-82.5	-176.5	-6.6	0	0	114.7	D58	D58-Q62 PolarHBondContact O-N 2.9Å
63	K	30.4	Very low	47.3	Very low	162 Å²	162	121 Å²	121	70%	0.704	60%	0.597	S	S	*	*	S	Bend	trans	-95.7	96	150.3	-83.2	-177.2	175.5	-179.8	0	105.2	K60 K65	K60-K63 CarbonylContact O-C 3.48Å; K63-K65 VanDerWaalsContact C-N 3.31Å; K63-K65 PolarHBondContact O-N 3.25Å
64	E	33.1	Very low	49.2	Very low	176 Å²	176	123.3 Å²	123.3	82%	0.822	61%	0.606	S	S	*	*			trans	-41.1	113	150.9	-81.7	179	151.5	0	0	105.4	S66	E64-S66 PolarHBondContact O-N 2.98Å
65	K	32.1	Very low	51.5	Low	190 Å²	190	121.7 Å²	121.7	83%	0.826	60%	0.597	S	S	*	*			trans	-60.1	92.5	157.8	-100.9	-177.9	171.4	-177.6	0	100.9	K63 E67	K63-K65 VanDerWaalsContact C-N 3.31Å; K63-K65 PolarHBondContact O-N 3.25Å; K65-E67 VanDerWaalsContact C-N 3.3Å; K65-E67 PolarHBondContact O-N 2.96Å
66	S	33.7	Very low	53.6	Low	94 Å²	94	125.1 Å²	125.1	66%	0.657	61%	0.614	S	S	*	*			trans	-47.9	111.1	164.1	60.3	0	0	0	0	103	E64 R68	E64-S66 PolarHBondContact O-N 2.98Å; S66-R68 VanDerWaalsContact C-N 3.33Å; S66-R68 PolarHBondContact O-N 3.07Å
67	E	40.2	Very low	55.9	Low	183 Å²	183	124.6 Å²	124.6	86%	0.855	61%	0.606	S	S	*	*			trans	-48.1	112.6	169	-75.8	-177.3	153.4	0	0	103.8	K65 Q69	K65-E67 VanDerWaalsContact C-N 3.3Å; K65-E67 PolarHBondContact O-N 2.96Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 2.91Å
68	R	52.4	Low	58.4	Low	231 Å²	231	129 Å²	129	87%	0.872	62%	0.622	S	S	*	*			trans	-57.5	106.5	-176.6	-85.3	-179.1	173.2	174.6	-3.3	104.2	S66 V70	S66-R68 VanDerWaalsContact C-N 3.33Å; S66-R68 PolarHBondContact O-N 3.07Å; R68-V70 PolarHBondContact O-N 2.73Å
69	Q	57.5	Low	60.9	Low	179 Å²	179	132.9 Å²	132.9	84%	0.836	64%	0.637	S	S	*	*			trans	-51.1	122	-174.8	-87.3	179.4	-19.9	0	0	107.3	E67 I71	E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 2.91Å; Q69-I71 PolarHBondContact O-N 3.09Å
70	V	74.5	Confident	63.4	Low	75 Å²	75	124.8 Å²	124.8	46%	0.455	60%	0.604	S	S	.	*			trans	-65	111.7	176.3	178.9	0	0	0	0	106.1	R68 T72 R96	R68-V70 PolarHBondContact O-N 2.73Å; V70-T72 PolarHBondContact O-N 3.36Å; V70-R96 HydrophobicContact CG1-CG 4.4Å
71	I	86.2	Confident	66.4	Low	51 Å²	51	119.2 Å²	119.2	26%	0.262	59%	0.586	S	S	.	*			trans	-73.3	122.6	-177.7	-52.3	178.2	0	0	0	107.4	Q69 P90 S94 Y97	Q69-I71 PolarHBondContact O-N 3.09Å; I71-P90 HydrophobicContact CD1-CB 3.82Å; I71-P90 HydrophobicContact CG2-CB 4.02Å; I71-P90 HydrophobicContact CG2-CG 3.93Å; I71-S94 VanDerWaalsContact O-CB 3.31Å; I71-S94 WeakPolarHBondContact O-CB 3.46Å; I71-S94 PolarHBondContact O-OG 3.28Å; I71-Y97 HydrophobicContact CG2-CD2 4.13Å
72	T	88.1	Confident	69.4	Low	58 Å²	58	115.3 Å²	115.3	36%	0.356	57%	0.568	S	S	.	*			trans	-111.2	159	177.6	50.2	0	0	0	0	110.9	V70 D74 Y97	V70-T72 PolarHBondContact O-N 3.36Å; T72-D74 WeakPolarHBondContact CB-OD1 3.48Å; T72-D74 PolarHBondContact OG1-OD1 3.23Å; T72-Y97 WeakPolarHBondContact O-CD2 3.24Å
73	Y	90.1	Very high	72.3	Confident	29 Å²	29	106.7 Å²	106.7	11%	0.114	53%	0.528	C	S	.	.			trans	-89.8	108.5	174.7	-179.6	-101	0	0	0	109.1	I75 T77 K83 D84 Y97 S100	Y73-I75 HydrophobicContact CE1-CB 4.01Å; Y73-I75 WeakPolarHBondContact CE1-O 3.43Å; Y73-I75 HydrophobicContact CE2-CB 3.98Å; Y73-I75 HydrophobicContact CE2-CD1 3.83Å; Y73-I75 HydrophobicContact CE2-CG1 4.07Å; Y73-T77 WeakPolarHBondContact CE1-OG1 3.41Å; Y73-T77 PolarHBondContact OH-OG1 2.77Å; Y73-T77 VanDerWaalsContact OH-OG1 3.09Å; Y73-K83 HydrophobicContact CD2-CD 4.47Å; Y73-K83 HydrophobicContact CD2-CG 4.47Å; Y73-K83 HydrophobicContact CE1-CG 3.99Å; Y73-K83 HydrophobicContact CE2-CD 4.16Å; Y73-K83 HydrophobicContact CE2-CG 3.76Å; Y73-K83 VanDerWaalsContact CZ-CG 3.46Å; Y73-K83 WeakPolarHBondContact OH-CG 3.31Å; Y73-D84 WeakPolarHBondContact OH-CB 3.41Å; Y73-D84 PolarHBondContact OH-N 3.35Å; Y73-D84 PolarHBondContact OH-O 3.1Å; Y73-Y97 HydrophobicContact CD2-CD2 4.31Å; Y73-Y97 AromaticContact CD2-CE2 3.79Å; Y73-Y97 HydrophobicContact CD2-CE2 3.79Å; Y73-S100 WeakPolarHBondContact CB-OG 3.33Å
74	D	87.5	Confident	75.3	Confident	132 Å²	132	101.8 Å²	101.8	71%	0.706	51%	0.51	S	S	*	.			trans	-106.5	4.3	-170.9	-52.5	-30.2	0	0	0	112.9	T72 P76	T72-D74 WeakPolarHBondContact CB-OD1 3.48Å; T72-D74 PolarHBondContact OG1-OD1 3.23Å; D74-P76 WeakPolarHBondContact O-CD 3.28Å
75	I	88.1	Confident	78.1	Confident	57 Å²	57	94.8 Å²	94.8	29%	0.292	48%	0.479	S	S	.	.	S	Bend	trans	-77.7	122.2	177.4	-54.6	175.2	0	0	0	108.3	Y73 T77 D84 A87	Y73-I75 HydrophobicContact CE1-CB 4.01Å; Y73-I75 WeakPolarHBondContact CE1-O 3.43Å; Y73-I75 HydrophobicContact CE2-CB 3.98Å; Y73-I75 HydrophobicContact CE2-CD1 3.83Å; Y73-I75 HydrophobicContact CE2-CG1 4.07Å; I75-T77 PolarHBondContact O-N 3.28Å; I75-T77 PolarHBondContact O-OG1 3.46Å; I75-D84 HydrophobicContact CG2-CB 4.29Å; I75-A87 HydrophobicContact CD1-CB 3.82Å
76	P	87.4	Confident	80.7	Confident	129 Å²	129	91.6 Å²	91.6	84%	0.838	48%	0.475	S	S	*	.			trans	-58.2	114.4	177.7	-23.1	33.6	0	0	0	110.9	D74	D74-P76 WeakPolarHBondContact O-CD 3.28Å
77	T	88.9	Confident	83.1	Confident	38 Å²	38	88.4 Å²	88.4	23%	0.233	46%	0.455	C	S	.	.			trans	-124.8	125.2	176.3	-61.4	0	0	0	0	108.3	Y73 I75 A81 C101	Y73-T77 WeakPolarHBondContact CE1-OG1 3.41Å; Y73-T77 PolarHBondContact OH-OG1 2.77Å; Y73-T77 VanDerWaalsContact OH-OG1 3.09Å; I75-T77 PolarHBondContact O-N 3.28Å; I75-T77 PolarHBondContact O-OG1 3.46Å; T77-A81 HydrophobicContact CG2-CB 4.07Å; T77-C101 HydrophobicContact CG2-CB 4.33Å
78	E	89.6	Confident	85.4	Confident	158 Å²	158	85.4 Å²	85.4	74%	0.738	45%	0.451	S	S	*	.			trans	-59.7	148.5	176.3	-69.5	-173.9	172.6	0	0	111.2	G80 A81	E78-G80 PolarHBondContact O-N 2.99Å; E78-G80 VanDerWaalsContact O-N 3.12Å; E78-A81 HydrophobicContact CB-CB 4.01Å; E78-A81 WeakPolarHBondContact O-CB 3.21Å; E78-A81 PolarHBondContact O-N 3.49Å
79	Q	87.8	Confident	87.2	Confident	181 Å²	181	75.4 Å²	75.4	85%	0.846	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	121.1	-178.3	-169.5	170.7	6.3	0	0	111.3	A81 A104	Q79-A81 VanDerWaalsContact C-N 3.26Å; Q79-A81 PolarHBondContact O-N 2.98Å; Q79-A104 HydrophobicContact CG-CB 4.47Å
80	G	89.8	Confident	88.8	Confident	8 Å²	8	67.8 Å²	67.8	8%	0.082	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	5.1	-177	0	0	0	0	0	115	E78 A104 K108	E78-G80 PolarHBondContact O-N 2.99Å; E78-G80 VanDerWaalsContact O-N 3.12Å; G80-A104 WeakPolarHBondContact CA-O 3.34Å; G80-K108 VanDerWaalsContact O-CD 3.25Å; G80-K108 WeakPolarHBondContact O-CD 3.28Å
81	A	94	Very high	89.6	Confident	31 Å²	31	68.5 Å²	68.5	26%	0.256	39%	0.389	S	S	.	.	S	Bend	trans	-73.6	154.4	164	0	0	0	0	0	110.3	T77 E78 Q79 K83	T77-A81 HydrophobicContact CG2-CB 4.07Å; E78-A81 HydrophobicContact CB-CB 4.01Å; E78-A81 WeakPolarHBondContact O-CB 3.21Å; E78-A81 PolarHBondContact O-N 3.49Å; Q79-A81 VanDerWaalsContact C-N 3.26Å; Q79-A81 PolarHBondContact O-N 2.98Å; A81-K83 PolarHBondContact O-N 3.48Å
82	K	93.7	Very high	89.8	Confident	74 Å²	74	68 Å²	68	32%	0.322	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-64	132.3	174.7	-171.5	176.4	-179.9	173.1	0	109.1	D84 W102 W105	K82-D84 PolarHBondContact O-N 3.45Å; K82-W102 HydrophobicContact CG-CZ3 4.17Å; K82-W105 HydrophobicContact CB-CD2 4.23Å; K82-W105 HydrophobicContact CB-CG 4.28Å; K82-W105 HydrophobicContact CB-CZ2 4.31Å; K82-W105 HydrophobicContact CD-CH2 4.22Å; K82-W105 HydrophobicContact CD-CZ2 3.8Å; K82-W105 HydrophobicContact CG-CD2 4.19Å; K82-W105 HydrophobicContact CG-CH2 4.35Å; K82-W105 HydrophobicContact CG-CZ2 3.95Å
83	K	93.8	Very high	90.1	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.017	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-57.5	135.7	176.1	-167.9	-176	-173.4	177.1	0	111.1	Y73 A81 V85 Y97 V98 S100 C101 W102 E877	Y73-K83 HydrophobicContact CD2-CD 4.47Å; Y73-K83 HydrophobicContact CD2-CG 4.47Å; Y73-K83 HydrophobicContact CE1-CG 3.99Å; Y73-K83 HydrophobicContact CE2-CD 4.16Å; Y73-K83 HydrophobicContact CE2-CG 3.76Å; Y73-K83 VanDerWaalsContact CZ-CG 3.46Å; Y73-K83 WeakPolarHBondContact OH-CG 3.31Å; A81-K83 PolarHBondContact O-N 3.48Å; K83-V85 PolarHBondContact O-N 3.03Å; K83-Y97 PolarHBondContact NZ-O 3.44Å; K83-V98 PolarHBondContact NZ-O 3.44Å; K83-S100 WeakPolarHBondContact CE-OG 3.5Å; K83-S100 PolarHBondContact NZ-OG 3.47Å; K83-C101 HydrophobicContact CB-CB 4.02Å; K83-C101 HydrophobicContact CG-CB 4.21Å; K83-W102 HydrophobicContact CB-CD2 4.39Å; K83-W102 HydrophobicContact CB-CE3 4.34Å; K83-W102 HydrophobicContact CB-CH2 3.77Å; K83-W102 HydrophobicContact CB-CZ2 3.82Å; K83-W102 HydrophobicContact CB-CZ3 4.05Å; K83-W102 HydrophobicContact CD-CD2 4.47Å; K83-W102 HydrophobicContact CD-CH2 4.46Å; K83-W102 HydrophobicContact CD-CZ2 3.69Å; K83-W102 HydrophobicContact CG-CZ2 4.36Å; K83-E877 WeakPolarHBondContact CD-OE2 3.37Å; K83-E877 VanDerWaalsContact NZ-CD 3.33Å; K83-E877 IonicContact NZ-OE1 2.67Å; K83-E877 PolarHBondContact NZ-OE1 3.04Å; K83-E877 IonicContact NZ-OE2 2.55Å; K83-E877 PolarHBondContact NZ-OE2 2.88Å
84	D	92.6	Very high	90.3	Very high	60 Å²	60	64.4 Å²	64.4	32%	0.321	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-72.6	118	170.3	-173.5	-3	0	0	0	110	Y73 I75 K82 T86	Y73-D84 WeakPolarHBondContact OH-CB 3.41Å; Y73-D84 PolarHBondContact OH-N 3.35Å; Y73-D84 PolarHBondContact OH-O 3.1Å; I75-D84 HydrophobicContact CG2-CB 4.29Å; K82-D84 PolarHBondContact O-N 3.45Å; D84-T86 VanDerWaalsContact CG-OG1 3.31Å; D84-T86 VanDerWaalsContact OD1-CB 3.29Å; D84-T86 WeakPolarHBondContact OD1-CB 3.42Å; D84-T86 VanDerWaalsContact OD1-CG2 3.27Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.08Å; D84-T86 PolarHBondContact OD1-N 2.85Å; D84-T86 PolarHBondContact OD1-OG1 2.85Å; D84-T86 PolarHBondContact OD2-OG1 2.78Å
85	V	91.6	Very high	90.7	Very high	29 Å²	29	58.1 Å²	58.1	18%	0.176	34%	0.34	C	S	.	.			trans	-108.6	6.8	-179.2	-63.3	0	0	0	0	113.3	K83 A87 W102 Q880 R881	K83-V85 PolarHBondContact O-N 3.03Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 3.26Å; V85-W102 HydrophobicContact CG1-CH2 3.83Å; V85-W102 HydrophobicContact CG1-CZ2 3.82Å; V85-Q880 HydrophobicContact CG1-CB 4.32Å; V85-Q880 HydrophobicContact CG2-CB 4.33Å; V85-R881 HydrophobicContact CB-CG 3.89Å; V85-R881 VanDerWaalsContact CG1-NH1 3.33Å; V85-R881 HydrophobicContact CG2-CG 4.29Å; V85-R881 PolarHBondContact O-NE 3.48Å
86	T	86.7	Confident	90.9	Very high	122 Å²	122	61.2 Å²	61.2	75%	0.748	35%	0.348	S	S	*	.			trans	-70.2	-25.1	-179.9	61.5	0	0	0	0	113	D84	D84-T86 VanDerWaalsContact CG-OG1 3.31Å; D84-T86 VanDerWaalsContact OD1-CB 3.29Å; D84-T86 WeakPolarHBondContact OD1-CB 3.42Å; D84-T86 VanDerWaalsContact OD1-CG2 3.27Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.08Å; D84-T86 PolarHBondContact OD1-N 2.85Å; D84-T86 PolarHBondContact OD1-OG1 2.85Å; D84-T86 PolarHBondContact OD2-OG1 2.78Å
87	A	85.6	Confident	91.2	Very high	28 Å²	28	55.8 Å²	55.8	23%	0.231	31%	0.31	C	S	.	.	S	Bend	trans	-65.7	143.4	176.1	0	0	0	0	0	111.9	I75 V85	I75-A87 HydrophobicContact CD1-CB 3.82Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 3.26Å
88	P	86.5	Confident	91.5	Very high	120 Å²	120	54 Å²	54	78%	0.779	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-61.5	142.6	179.4	24.3	-32.9	0	0	0	111.5	P90	P88-P90 WeakPolarHBondContact O-CD 3.38Å
89	L	90.7	Very high	91.7	Very high	20 Å²	20	47.9 Å²	47.9	11%	0.105	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-62.2	128	-179.1	-77.7	167.3	0	0	0	111.4	W761 R765 L768 L878	L89-W761 HydrophobicContact CB-CZ2 4.16Å; L89-W761 HydrophobicContact CD2-CH2 3.32Å; L89-W761 HydrophobicContact CD2-CZ2 3.47Å; L89-W761 VanDerWaalsContact CD2-CZ2 3.47Å; L89-W761 HydrophobicContact CD2-CZ3 3.87Å; L89-W761 HydrophobicContact CG-CZ2 4.4Å; L89-R765 HydrophobicContact CB-CG 3.71Å; L89-R765 HydrophobicContact CD1-CG 3.49Å; L89-R765 VanDerWaalsContact CD1-CG 3.49Å; L89-R765 HydrophobicContact CG-CG 4.23Å; L89-R765 PolarHBondContact O-NE 3.35Å; L89-R765 PolarHBondContact O-NH2 2.53Å; L89-L768 HydrophobicContact CD1-CD1 3.59Å; L89-L878 HydrophobicContact CD1-CD2 4.29Å; L89-L878 HydrophobicContact CD2-CD2 4.37Å
90	P	91.9	Very high	91.9	Very high	20 Å²	20	40.6 Å²	40.6	13%	0.13	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-46.9	151.6	171	-30.7	30.3	0	0	0	114.5	I71 P88 A92 Y97 W761 R765	I71-P90 HydrophobicContact CD1-CB 3.82Å; I71-P90 HydrophobicContact CG2-CB 4.02Å; I71-P90 HydrophobicContact CG2-CG 3.93Å; P88-P90 WeakPolarHBondContact O-CD 3.38Å; P90-A92 PolarHBondContact O-N 2.55Å; P90-A92 VanDerWaalsContact O-N 3.17Å; P90-Y97 HydrophobicContact CG-CD1 4.17Å; P90-Y97 HydrophobicContact CG-CD2 4.01Å; P90-Y97 HydrophobicContact CG-CE1 3.97Å; P90-Y97 HydrophobicContact CG-CE2 3.81Å; P90-Y97 HydrophobicContact CG-CG 4.19Å; P90-W761 HydrophobicContact CB-CZ2 4.15Å; P90-W761 HydrophobicContact CG-CZ2 4.13Å; P90-W761 PolarHBondContact O-NE1 3.29Å; P90-R765 WeakPolarHBondContact O-CD 3.32Å; P90-R765 PolarHBondContact O-NE 3.09Å; P90-R765 VanDerWaalsContact O-NE 3.16Å
91	S	90.1	Very high	92.1	Very high	89 Å²	89	42.1 Å²	42.1	62%	0.622	25%	0.249	S	C	*	.	S	Bend	trans	-61.9	-25.7	-177.3	60.4	0	0	0	0	113.7	R765	S91-R765 PolarHBondContact O-NH1 3.03Å
92	A	91.9	Very high	92.2	Very high	40 Å²	40	40.6 Å²	40.6	33%	0.331	24%	0.237	S	C	.	.	S	Bend	trans	-136.8	153.2	177.2	0	0	0	0	0	111	P90	P90-A92 PolarHBondContact O-N 2.55Å; P90-A92 VanDerWaalsContact O-N 3.17Å
93	Y	94.3	Very high	92.3	Very high	8 Å²	8	38.2 Å²	38.2	3%	0.031	23%	0.226	C	C	.	.			trans	-65.9	132.6	172.3	168.4	-108.8	0	0	0	111.1	P95 V98 R754 C757 N758 W761 I874	Y93-P95 HydrophobicContact CE1-CG 3.77Å; Y93-V98 HydrophobicContact CD2-CG2 3.74Å; Y93-V98 HydrophobicContact CE2-CB 4.02Å; Y93-V98 HydrophobicContact CE2-CG1 4.34Å; Y93-V98 HydrophobicContact CE2-CG2 3.58Å; Y93-R754 HydrophobicContact CE1-CG 4.38Å; Y93-C757 HydrophobicContact CD1-CB 3.79Å; Y93-C757 HydrophobicContact CE1-CB 3.46Å; Y93-C757 VanDerWaalsContact CE1-CB 3.46Å; Y93-C757 HydrophobicContact CE2-CB 4.3Å; Y93-C757 HydrophobicContact CG-CB 4.34Å; Y93-N758 WeakPolarHBondContact CB-OD1 3.42Å; Y93-N758 HydrophobicContact CD1-CB 4.42Å; Y93-N758 PolarHBondContact N-OD1 3.21Å; Y93-W761 HydrophobicContact CD2-CD2 4.38Å; Y93-W761 AromaticContact CD2-CE3 3.98Å; Y93-W761 HydrophobicContact CD2-CE3 3.98Å; Y93-W761 HydrophobicContact CD2-CZ3 4.5Å; Y93-I874 HydrophobicContact CD2-CD1 3.96Å; Y93-I874 HydrophobicContact CE2-CD1 3.83Å; Y93-I874 HydrophobicContact CE2-CG1 4.27Å
94	S	94.5	Very high	92.4	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.028	24%	0.236	C	C	.	.			trans	-131.7	119.6	171.9	174.5	0	0	0	0	109.1	I71 R96 Y97 V98	I71-S94 VanDerWaalsContact O-CB 3.31Å; I71-S94 WeakPolarHBondContact O-CB 3.46Å; I71-S94 PolarHBondContact O-OG 3.28Å; S94-R96 VanDerWaalsContact C-N 3.29Å; S94-R96 PolarHBondContact O-N 3.46Å; S94-Y97 WeakPolarHBondContact O-CB 3.49Å; S94-Y97 PolarHBondContact O-N 3.4Å; S94-Y97 VanDerWaalsContact O-N 3.14Å; S94-V98 WeakPolarHBondContact O-CG2 3.44Å; S94-V98 PolarHBondContact O-N 2.67Å
95	P	94.3	Very high	92.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-53.2	-45.1	177	-26.5	33.7	0	0	0	112.8	Y93 Y97 V98 E99 E723	Y93-P95 HydrophobicContact CE1-CG 3.77Å; P95-Y97 VanDerWaalsContact C-N 3.31Å; P95-Y97 PolarHBondContact O-N 3.07Å; P95-V98 PolarHBondContact O-N 3.07Å; P95-V98 VanDerWaalsContact O-N 3.09Å; P95-E99 WeakPolarHBondContact O-CB 3.1Å; P95-E99 WeakPolarHBondContact O-CG 3.36Å; P95-E99 PolarHBondContact O-N 2.94Å; P95-E723 HydrophobicContact CG-CG 4.44Å
96	R	92.6	Very high	92.9	Very high	121 Å²	121	35.9 Å²	35.9	46%	0.457	22%	0.215	S	C	.	.	H	α-helix	trans	-61.3	-37.6	179.2	-63.7	-170.9	-168.9	-165	-8.8	113.3	V70 S94 S100 E723	V70-R96 HydrophobicContact CG1-CG 4.4Å; S94-R96 VanDerWaalsContact C-N 3.29Å; S94-R96 PolarHBondContact O-N 3.46Å; R96-S100 WeakPolarHBondContact O-CB 3.41Å; R96-E723 WeakPolarHBondContact CG-OE2 3.4Å; R96-E723 IonicContact CZ-OE2 2.72Å; R96-E723 IonicContact NE-OE2 2.82Å; R96-E723 PolarHBondContact NE-OE2 3.47Å; R96-E723 IonicContact NH2-OE2 3.42Å
97	Y	94.3	Very high	93.3	Very high	15 Å²	15	33.1 Å²	33.1	6%	0.059	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-50.2	173.7	178.9	-88.2	0	0	0	109.6	I71 T72 Y73 K83 P90 S94 P95 S100 W761 E877 R881	I71-Y97 HydrophobicContact CG2-CD2 4.13Å; T72-Y97 WeakPolarHBondContact O-CD2 3.24Å; Y73-Y97 HydrophobicContact CD2-CD2 4.31Å; Y73-Y97 AromaticContact CD2-CE2 3.79Å; Y73-Y97 HydrophobicContact CD2-CE2 3.79Å; K83-Y97 PolarHBondContact NZ-O 3.44Å; P90-Y97 HydrophobicContact CG-CD1 4.17Å; P90-Y97 HydrophobicContact CG-CD2 4.01Å; P90-Y97 HydrophobicContact CG-CE1 3.97Å; P90-Y97 HydrophobicContact CG-CE2 3.81Å; P90-Y97 HydrophobicContact CG-CG 4.19Å; S94-Y97 WeakPolarHBondContact O-CB 3.49Å; S94-Y97 PolarHBondContact O-N 3.4Å; S94-Y97 VanDerWaalsContact O-N 3.14Å; P95-Y97 VanDerWaalsContact C-N 3.31Å; P95-Y97 PolarHBondContact O-N 3.07Å; Y97-S100 PolarHBondContact O-OG 2.67Å; Y97-W761 AromaticContact CD1-CH2 3.9Å; Y97-W761 HydrophobicContact CD1-CH2 3.9Å; Y97-W761 AromaticContact CE1-CH2 3.9Å; Y97-W761 HydrophobicContact CE1-CH2 3.9Å; Y97-E877 VanDerWaalsContact CE1-OE1 3.28Å; Y97-E877 WeakPolarHBondContact CE1-OE1 3.09Å; Y97-R881 PolarHBondContact OH-NH2 3.03Å
98	V	95	Very high	93.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.5	-54.3	-172.8	171.9	0	0	0	0	112.2	K83 Y93 S94 P95 S100 W102 W761 F873 I874 E877	K83-V98 PolarHBondContact NZ-O 3.44Å; Y93-V98 HydrophobicContact CD2-CG2 3.74Å; Y93-V98 HydrophobicContact CE2-CB 4.02Å; Y93-V98 HydrophobicContact CE2-CG1 4.34Å; Y93-V98 HydrophobicContact CE2-CG2 3.58Å; S94-V98 WeakPolarHBondContact O-CG2 3.44Å; S94-V98 PolarHBondContact O-N 2.67Å; P95-V98 PolarHBondContact O-N 3.07Å; P95-V98 VanDerWaalsContact O-N 3.09Å; V98-S100 PolarHBondContact O-N 3.49Å; V98-W102 PolarHBondContact O-NE1 3.25Å; V98-W102 VanDerWaalsContact O-NE1 3.16Å; V98-W761 HydrophobicContact CG2-CE3 4.11Å; V98-W761 HydrophobicContact CG2-CH2 3.88Å; V98-W761 HydrophobicContact CG2-CZ3 3.36Å; V98-F873 HydrophobicContact CG1-CB 4.13Å; V98-I874 HydrophobicContact CG1-CB 4.23Å; V98-E877 HydrophobicContact CG1-CB 3.9Å; V98-E877 HydrophobicContact CG1-CG 4.2Å; V98-E877 HydrophobicContact CG2-CG 4.21Å
99	E	94.9	Very high	94.1	Very high	30 Å²	30	35.3 Å²	35.3	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-16.9	-171.9	-64.7	169.9	-172.2	0	0	113.6	P95 G725 T726 F873	P95-E99 WeakPolarHBondContact O-CB 3.1Å; P95-E99 WeakPolarHBondContact O-CG 3.36Å; P95-E99 PolarHBondContact O-N 2.94Å; E99-G725 VanDerWaalsContact OE1-CA 3.3Å; E99-G725 WeakPolarHBondContact OE1-CA 3.18Å; E99-T726 PolarHBondContact OE1-N 3.2Å; E99-F873 HydrophobicContact CB-CD1 4Å; E99-F873 HydrophobicContact CB-CE1 4.35Å; E99-F873 HydrophobicContact CB-CG 4.26Å; E99-F873 HydrophobicContact CG-CB 3.88Å; E99-F873 HydrophobicContact CG-CD1 4.04Å; E99-F873 HydrophobicContact CG-CD2 4.13Å; E99-F873 HydrophobicContact CG-CG 3.77Å
100	S	91.8	Very high	94.2	Very high	29 Å²	29	34.9 Å²	34.9	20%	0.203	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	141.6	179.1	66.8	0	0	0	0	112.8	Y73 K83 R96 Y97 V98 W102	Y73-S100 WeakPolarHBondContact CB-OG 3.33Å; K83-S100 WeakPolarHBondContact CE-OG 3.5Å; K83-S100 PolarHBondContact NZ-OG 3.47Å; R96-S100 WeakPolarHBondContact O-CB 3.41Å; Y97-S100 PolarHBondContact O-OG 2.67Å; V98-S100 PolarHBondContact O-N 3.49Å; S100-W102 PolarHBondContact O-N 3.19Å
101	C	93.2	Very high	94.4	Very high	39 Å²	39	34 Å²	34	26%	0.264	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-31.3	174.8	-49.7	0	0	0	0	116.8	T77 K83 Y103 A104 W105	T77-C101 HydrophobicContact CG2-CB 4.33Å; K83-C101 HydrophobicContact CB-CB 4.02Å; K83-C101 HydrophobicContact CG-CB 4.21Å; C101-Y103 PolarHBondContact O-N 3.27Å; C101-A104 PolarHBondContact O-N 3.5Å; C101-W105 PolarHBondContact O-N 3.33Å
102	W	96.3	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-46.4	-171.5	-68.5	124.9	0	0	0	114.3	K82 K83 V85 V98 S100 A104 W105 W106 F873 E876 E877 Q880	K82-W102 HydrophobicContact CG-CZ3 4.17Å; K83-W102 HydrophobicContact CB-CD2 4.39Å; K83-W102 HydrophobicContact CB-CE3 4.34Å; K83-W102 HydrophobicContact CB-CH2 3.77Å; K83-W102 HydrophobicContact CB-CZ2 3.82Å; K83-W102 HydrophobicContact CB-CZ3 4.05Å; K83-W102 HydrophobicContact CD-CD2 4.47Å; K83-W102 HydrophobicContact CD-CH2 4.46Å; K83-W102 HydrophobicContact CD-CZ2 3.69Å; K83-W102 HydrophobicContact CG-CZ2 4.36Å; V85-W102 HydrophobicContact CG1-CH2 3.83Å; V85-W102 HydrophobicContact CG1-CZ2 3.82Å; V98-W102 PolarHBondContact O-NE1 3.25Å; V98-W102 VanDerWaalsContact O-NE1 3.16Å; S100-W102 PolarHBondContact O-N 3.19Å; W102-A104 PolarHBondContact O-N 2.93Å; W102-W105 AromaticContact CE3-CE3 3.62Å; W102-W105 HydrophobicContact CE3-CE3 3.62Å; W102-W105 AromaticContact CE3-CZ3 3.94Å; W102-W105 HydrophobicContact CE3-CZ3 3.94Å; W102-W105 AromaticContact CZ3-CE3 3.82Å; W102-W105 HydrophobicContact CZ3-CE3 3.82Å; W102-W105 AromaticContact CZ3-CZ3 3.83Å; W102-W105 HydrophobicContact CZ3-CZ3 3.83Å; W102-W105 PolarHBondContact O-N 2.67Å; W102-W105 VanDerWaalsContact O-N 3.16Å; W102-W106 HydrophobicContact CB-CD2 4.38Å; W102-W106 HydrophobicContact CB-CH2 4.02Å; W102-W106 HydrophobicContact CB-CZ2 3.81Å; W102-W106 HydrophobicContact CB-CZ3 4.4Å; W102-W106 HydrophobicContact CG-CZ2 4.4Å; W102-W106 VanDerWaalsContact O-CG 3.25Å; W102-W106 PolarHBondContact O-N 3.16Å; W102-F873 HydrophobicContact CB-CD1 4.2Å; W102-E876 HydrophobicContact CD2-CB 4.5Å; W102-E876 HydrophobicContact CD2-CG 3.74Å; W102-E876 HydrophobicContact CE3-CG 3.64Å; W102-E876 HydrophobicContact CG-CG 4.3Å; W102-E876 HydrophobicContact CH2-CG 4.35Å; W102-E876 HydrophobicContact CZ2-CG 4.41Å; W102-E876 HydrophobicContact CZ3-CG 3.95Å; W102-E877 VanDerWaalsContact CE2-OE2 3.24Å; W102-E877 VanDerWaalsContact CZ2-OE2 3.27Å; W102-E877 WeakPolarHBondContact CZ2-OE2 3.46Å; W102-E877 PolarHBondContact NE1-OE2 3.34Å; W102-Q880 HydrophobicContact CH2-CB 4.19Å; W102-Q880 HydrophobicContact CH2-CG 3.76Å; W102-Q880 HydrophobicContact CZ2-CG 4.49Å; W102-Q880 HydrophobicContact CZ3-CG 4.2Å
103	Y	96.5	Very high	94.7	Very high	23 Å²	23	31.1 Å²	31.1	9%	0.09	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-47.6	-176.3	-165.4	-86.3	0	0	0	112.4	C101 W105 W106 E107 F112 K225 S229 W233 F873	C101-Y103 PolarHBondContact O-N 3.27Å; Y103-W105 PolarHBondContact O-N 3.33Å; Y103-W106 AromaticContact CD2-CE3 3.98Å; Y103-W106 HydrophobicContact CD2-CE3 3.98Å; Y103-W106 HydrophobicContact CD2-CZ3 4.19Å; Y103-W106 HydrophobicContact CG-CE3 4.5Å; Y103-W106 PolarHBondContact O-N 3.21Å; Y103-E107 WeakPolarHBondContact O-CB 3.41Å; Y103-E107 PolarHBondContact O-N 3.39Å; Y103-F112 HydrophobicContact CE2-CE2 4.09Å; Y103-F112 HydrophobicContact CE2-CZ 4.41Å; Y103-K225 HydrophobicContact CD1-CB 4.07Å; Y103-K225 HydrophobicContact CD1-CD 4.42Å; Y103-K225 HydrophobicContact CD1-CG 4.31Å; Y103-K225 VanDerWaalsContact CD2-O 3.24Å; Y103-K225 WeakPolarHBondContact CD2-O 3.24Å; Y103-K225 HydrophobicContact CE1-CB 3.59Å; Y103-K225 HydrophobicContact CE1-CD 3.75Å; Y103-K225 HydrophobicContact CE1-CG 3.44Å; Y103-K225 VanDerWaalsContact CE1-CG 3.44Å; Y103-K225 HydrophobicContact CE2-CB 4.42Å; Y103-K225 VanDerWaalsContact CE2-O 3.3Å; Y103-K225 WeakPolarHBondContact CE2-O 3.33Å; Y103-S229 WeakPolarHBondContact CE2-O 3.23Å; Y103-S229 PolarHBondContact OH-O 3.36Å; Y103-W233 AromaticContact CE1-NE1 3.93Å; Y103-W233 AromaticContact CZ-NE1 3.77Å; Y103-W233 WeakPolarHBondContact OH-CZ2 3.36Å; Y103-W233 PolarHBondContact OH-NE1 3.27Å; Y103-F873 HydrophobicContact CD2-CZ 4.4Å
104	A	95.2	Very high	94.5	Very high	28 Å²	28	31 Å²	31	23%	0.231	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-35.6	178.8	0	0	0	0	0	111.7	Q79 G80 C101 W102 K108	Q79-A104 HydrophobicContact CG-CB 4.47Å; G80-A104 WeakPolarHBondContact CA-O 3.34Å; C101-A104 PolarHBondContact O-N 3.5Å; W102-A104 PolarHBondContact O-N 2.93Å; A104-K108 WeakPolarHBondContact O-CB 3.38Å; A104-K108 PolarHBondContact O-N 3.1Å
105	W	96.9	Very high	94.2	Very high	16 Å²	16	34.8 Å²	34.8	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-69.4	-45.3	176	176	60.7	0	0	0	112	K82 C101 W102 Y103 E107 K108 C109 F111 D891	K82-W105 HydrophobicContact CB-CD2 4.23Å; K82-W105 HydrophobicContact CB-CG 4.28Å; K82-W105 HydrophobicContact CB-CZ2 4.31Å; K82-W105 HydrophobicContact CD-CH2 4.22Å; K82-W105 HydrophobicContact CD-CZ2 3.8Å; K82-W105 HydrophobicContact CG-CD2 4.19Å; K82-W105 HydrophobicContact CG-CH2 4.35Å; K82-W105 HydrophobicContact CG-CZ2 3.95Å; C101-W105 PolarHBondContact O-N 3.33Å; W102-W105 AromaticContact CE3-CE3 3.62Å; W102-W105 HydrophobicContact CE3-CE3 3.62Å; W102-W105 AromaticContact CE3-CZ3 3.94Å; W102-W105 HydrophobicContact CE3-CZ3 3.94Å; W102-W105 AromaticContact CZ3-CE3 3.82Å; W102-W105 HydrophobicContact CZ3-CE3 3.82Å; W102-W105 AromaticContact CZ3-CZ3 3.83Å; W102-W105 HydrophobicContact CZ3-CZ3 3.83Å; W102-W105 PolarHBondContact O-N 2.67Å; W102-W105 VanDerWaalsContact O-N 3.16Å; Y103-W105 PolarHBondContact O-N 3.33Å; W105-E107 VanDerWaalsContact C-N 3.31Å; W105-E107 PolarHBondContact O-N 3.46Å; W105-K108 PolarHBondContact O-N 3.19Å; W105-C109 PolarHBondContact NE1-SG 2.97Å; W105-C109 WeakPolarHBondContact O-CB 3.35Å; W105-C109 PolarHBondContact O-N 2.71Å; W105-F111 HydrophobicContact CD2-CE2 4.34Å; W105-F111 HydrophobicContact CE3-CE2 4.14Å; W105-F111 AromaticContact CH2-CE2 3.76Å; W105-F111 HydrophobicContact CH2-CE2 3.76Å; W105-F111 HydrophobicContact CH2-CZ 4.05Å; W105-F111 AromaticContact CZ2-CE2 3.9Å; W105-F111 HydrophobicContact CZ2-CE2 3.9Å; W105-F111 AromaticContact CZ2-CZ 3.92Å; W105-F111 HydrophobicContact CZ2-CZ 3.92Å; W105-F111 AromaticContact CZ3-CE2 3.88Å; W105-F111 HydrophobicContact CZ3-CE2 3.88Å; W105-D891 WeakPolarHBondContact CH2-O 3.44Å
106	W	97	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-43.7	176.7	-61.8	-34.4	0	0	0	112.4	W102 Y103 G110 F111 F112 P872 F873 E876	W102-W106 HydrophobicContact CB-CD2 4.38Å; W102-W106 HydrophobicContact CB-CH2 4.02Å; W102-W106 HydrophobicContact CB-CZ2 3.81Å; W102-W106 HydrophobicContact CB-CZ3 4.4Å; W102-W106 HydrophobicContact CG-CZ2 4.4Å; W102-W106 VanDerWaalsContact O-CG 3.25Å; W102-W106 PolarHBondContact O-N 3.16Å; Y103-W106 AromaticContact CD2-CE3 3.98Å; Y103-W106 HydrophobicContact CD2-CE3 3.98Å; Y103-W106 HydrophobicContact CD2-CZ3 4.19Å; Y103-W106 HydrophobicContact CG-CE3 4.5Å; Y103-W106 PolarHBondContact O-N 3.21Å; W106-G110 PolarHBondContact O-N 3.05Å; W106-F111 HydrophobicContact CB-CD2 4.13Å; W106-F111 AromaticContact CD1-CD2 3.73Å; W106-F111 HydrophobicContact CG-CD2 4.29Å; W106-F111 PolarHBondContact O-N 2.88Å; W106-F112 HydrophobicContact CB-CE1 3.75Å; W106-F112 HydrophobicContact CB-CE2 3.98Å; W106-F112 HydrophobicContact CB-CZ 3.33Å; W106-F112 HydrophobicContact CD2-CZ 4.14Å; W106-F112 AromaticContact CE3-CZ 3.84Å; W106-F112 HydrophobicContact CE3-CZ 3.84Å; W106-F112 HydrophobicContact CG-CE1 4.28Å; W106-F112 HydrophobicContact CG-CZ 4.01Å; W106-P872 HydrophobicContact CH2-CB 3.96Å; W106-F873 AromaticContact CH2-CD1 3.57Å; W106-F873 HydrophobicContact CH2-CD1 3.57Å; W106-F873 AromaticContact CH2-CE1 3.78Å; W106-F873 HydrophobicContact CH2-CE1 3.78Å; W106-F873 HydrophobicContact CH2-CG 4.01Å; W106-F873 HydrophobicContact CH2-CZ 4.36Å; W106-F873 AromaticContact CZ3-CD1 3.87Å; W106-F873 HydrophobicContact CZ3-CD1 3.87Å; W106-F873 AromaticContact CZ3-CE1 3.55Å; W106-F873 HydrophobicContact CZ3-CE1 3.55Å; W106-F873 AromaticContact CZ3-CZ 3.92Å; W106-F873 HydrophobicContact CZ3-CZ 3.92Å; W106-E876 HydrophobicContact CZ2-CB 3.73Å; W106-E876 HydrophobicContact CZ2-CG 3.82Å; W106-E876 PolarHBondContact NE1-OE2 3.31Å
107	E	94.9	Very high	93.2	Very high	64 Å²	64	36.6 Å²	36.6	30%	0.299	20%	0.201	S	C	.	.	H	α-helix	trans	-62.7	-48.7	177.2	-175.1	173.8	-177.6	0	0	110.9	Y103 W105 C109 G110 K225	Y103-E107 WeakPolarHBondContact O-CB 3.41Å; Y103-E107 PolarHBondContact O-N 3.39Å; W105-E107 VanDerWaalsContact C-N 3.31Å; W105-E107 PolarHBondContact O-N 3.46Å; E107-C109 PolarHBondContact O-N 3.35Å; E107-G110 PolarHBondContact O-N 3.34Å; E107-G110 VanDerWaalsContact O-N 3.1Å; E107-K225 IonicContact OE1-NZ 3.38Å; E107-K225 PolarHBondContact OE1-NZ 3.23Å; E107-K225 IonicContact OE2-NZ 3.87Å; E107-K225 PolarHBondContact OE2-NZ 3.35Å
108	K	94.8	Very high	92.5	Very high	141 Å²	141	39.1 Å²	39.1	61%	0.613	22%	0.216	S	C	*	.	H	α-helix	trans	-64	-39.7	-179.5	-171.8	-177.3	-174.1	175.3	0	113	G80 A104 W105 G110	G80-K108 VanDerWaalsContact O-CD 3.25Å; G80-K108 WeakPolarHBondContact O-CD 3.28Å; A104-K108 WeakPolarHBondContact O-CB 3.38Å; A104-K108 PolarHBondContact O-N 3.1Å; W105-K108 PolarHBondContact O-N 3.19Å; K108-G110 PolarHBondContact O-N 2.65Å
109	C	94.3	Very high	91.1	Very high	54 Å²	54	49.5 Å²	49.5	37%	0.365	26%	0.261	S	S	.	.	H	α-helix	trans	-73.5	-10.2	177.4	-75.9	0	0	0	0	113.3	W105 E107 F111	W105-C109 PolarHBondContact NE1-SG 2.97Å; W105-C109 WeakPolarHBondContact O-CB 3.35Å; W105-C109 PolarHBondContact O-N 2.71Å; E107-C109 PolarHBondContact O-N 3.35Å; C109-F111 VanDerWaalsContact C-N 3.32Å; C109-F111 HydrophobicContact CB-CD1 4.02Å; C109-F111 HydrophobicContact CB-CD2 4.04Å; C109-F111 HydrophobicContact CB-CE1 3.63Å; C109-F111 HydrophobicContact CB-CE2 3.65Å; C109-F111 HydrophobicContact CB-CG 4.2Å; C109-F111 HydrophobicContact CB-CZ 3.42Å; C109-F111 VanDerWaalsContact CB-CZ 3.42Å; C109-F111 PolarHBondContact O-N 2.66Å
110	G	94.1	Very high	89.4	Confident	10 Å²	10	51.4 Å²	51.4	10%	0.103	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	23.6	178.1	0	0	0	0	0	113.8	W106 E107 K108 F112 K113	W106-G110 PolarHBondContact O-N 3.05Å; E107-G110 PolarHBondContact O-N 3.34Å; E107-G110 VanDerWaalsContact O-N 3.1Å; K108-G110 PolarHBondContact O-N 2.65Å; G110-F112 PolarHBondContact O-N 3.46Å; G110-F112 VanDerWaalsContact O-N 3.07Å; G110-K113 WeakPolarHBondContact O-CB 3.39Å; G110-K113 PolarHBondContact O-N 3.17Å
111	F	94.7	Very high	87.9	Confident	3 Å²	3	55.7 Å²	55.7	1%	0.013	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.1	-179.5	-61.1	-37.3	0	0	0	113.7	W105 W106 C109 Y116 R162 D891 S892 V895	W105-F111 HydrophobicContact CD2-CE2 4.34Å; W105-F111 HydrophobicContact CE3-CE2 4.14Å; W105-F111 AromaticContact CH2-CE2 3.76Å; W105-F111 HydrophobicContact CH2-CE2 3.76Å; W105-F111 HydrophobicContact CH2-CZ 4.05Å; W105-F111 AromaticContact CZ2-CE2 3.9Å; W105-F111 HydrophobicContact CZ2-CE2 3.9Å; W105-F111 AromaticContact CZ2-CZ 3.92Å; W105-F111 HydrophobicContact CZ2-CZ 3.92Å; W105-F111 AromaticContact CZ3-CE2 3.88Å; W105-F111 HydrophobicContact CZ3-CE2 3.88Å; W106-F111 HydrophobicContact CB-CD2 4.13Å; W106-F111 AromaticContact CD1-CD2 3.73Å; W106-F111 HydrophobicContact CG-CD2 4.29Å; W106-F111 PolarHBondContact O-N 2.88Å; C109-F111 VanDerWaalsContact C-N 3.32Å; C109-F111 HydrophobicContact CB-CD1 4.02Å; C109-F111 HydrophobicContact CB-CD2 4.04Å; C109-F111 HydrophobicContact CB-CE1 3.63Å; C109-F111 HydrophobicContact CB-CE2 3.65Å; C109-F111 HydrophobicContact CB-CG 4.2Å; C109-F111 HydrophobicContact CB-CZ 3.42Å; C109-F111 VanDerWaalsContact CB-CZ 3.42Å; C109-F111 PolarHBondContact O-N 2.66Å; F111-Y116 AromaticContact CD1-CD2 3.81Å; F111-Y116 HydrophobicContact CD1-CD2 3.81Å; F111-Y116 HydrophobicContact CD1-CE1 4.12Å; F111-Y116 AromaticContact CD1-CE2 3.33Å; F111-Y116 HydrophobicContact CD1-CE2 3.33Å; F111-Y116 HydrophobicContact CD1-CG 4.39Å; F111-Y116 AromaticContact CD1-CZ 3.5Å; F111-Y116 HydrophobicContact CE1-CD2 4.37Å; F111-Y116 AromaticContact CE1-CE2 3.48Å; F111-Y116 HydrophobicContact CE1-CE2 3.48Å; F111-Y116 VanDerWaalsContact CE1-CE2 3.48Å; F111-Y116 AromaticContact CE1-CZ 3.56Å; F111-Y116 WeakPolarHBondContact CE1-OH 3.41Å; F111-R162 PolarHBondContact O-NE 3.16Å; F111-D891 HydrophobicContact CE1-CB 4.43Å; F111-D891 HydrophobicContact CZ-CB 4.06Å; F111-S892 VanDerWaalsContact CE2-CB 3.48Å; F111-V895 HydrophobicContact CB-CG1 4.09Å; F111-V895 HydrophobicContact CD1-CG1 4.18Å; F111-V895 HydrophobicContact CD1-CG2 4.32Å; F111-V895 HydrophobicContact CE1-CG2 4.47Å; F111-V895 HydrophobicContact CG-CG1 4.32Å
112	F	95.2	Very high	86.5	Confident	5 Å²	5	57.9 Å²	57.9	2%	0.022	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.5	179.8	-53	-22.1	0	0	0	112.8	Y103 W106 G110 S230 L231	Y103-F112 HydrophobicContact CE2-CE2 4.09Å; Y103-F112 HydrophobicContact CE2-CZ 4.41Å; W106-F112 HydrophobicContact CB-CE1 3.75Å; W106-F112 HydrophobicContact CB-CE2 3.98Å; W106-F112 HydrophobicContact CB-CZ 3.33Å; W106-F112 HydrophobicContact CD2-CZ 4.14Å; W106-F112 AromaticContact CE3-CZ 3.84Å; W106-F112 HydrophobicContact CE3-CZ 3.84Å; W106-F112 HydrophobicContact CG-CE1 4.28Å; W106-F112 HydrophobicContact CG-CZ 4.01Å; G110-F112 PolarHBondContact O-N 3.46Å; G110-F112 VanDerWaalsContact O-N 3.07Å; F112-S230 VanDerWaalsContact CE1-CB 3.42Å; F112-L231 WeakPolarHBondContact CD2-O 3.21Å
113	K	93.1	Very high	84.9	Confident	62 Å²	62	64.1 Å²	64.1	27%	0.27	35%	0.346	S	S	.	.	S	Bend	trans	-86.5	138.7	-176.4	-63.6	-174.9	175.6	-178.6	0	110.8	G110 E115 Y116 D234	G110-K113 WeakPolarHBondContact O-CB 3.39Å; G110-K113 PolarHBondContact O-N 3.17Å; K113-E115 WeakPolarHBondContact CB-OE2 3.48Å; K113-E115 PolarHBondContact O-N 3.28Å; K113-Y116 WeakPolarHBondContact O-CB 3.14Å; K113-Y116 PolarHBondContact O-N 2.56Å; K113-Y116 VanDerWaalsContact O-N 3.09Å; K113-D234 VanDerWaalsContact CE-OD2 3.25Å; K113-D234 WeakPolarHBondContact CE-OD2 3.34Å; K113-D234 VanDerWaalsContact NZ-CG 3.34Å; K113-D234 IonicContact NZ-OD1 3.18Å; K113-D234 IonicContact NZ-OD2 3.95Å; K113-D234 PolarHBondContact NZ-OD2 2.9Å
114	P	91.2	Very high	83.6	Confident	7 Å²	7	64.9 Å²	64.9	5%	0.045	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.1	175.4	24.1	-32	0	0	0	112.5	Y116 L118 I167 T168 L169 F620	P114-Y116 PolarHBondContact O-N 3.3Å; P114-L118 WeakPolarHBondContact O-CD1 3.17Å; P114-I167 HydrophobicContact CB-CG2 3.64Å; P114-T168 WeakPolarHBondContact CB-O 3.45Å; P114-L169 HydrophobicContact CG-CB 4.34Å; P114-L169 HydrophobicContact CG-CD1 4.25Å; P114-F620 HydrophobicContact CB-CE1 3.92Å; P114-F620 HydrophobicContact CB-CZ 3.94Å; P114-F620 HydrophobicContact CG-CE1 3.97Å; P114-F620 HydrophobicContact CG-CE2 4.43Å; P114-F620 HydrophobicContact CG-CZ 3.57Å
115	E	88	Confident	82.4	Confident	83 Å²	83	66.2 Å²	66.2	39%	0.388	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.7	177	-62.8	78	-166.6	0	0	113.8	K113 G117 L118 R235	K113-E115 WeakPolarHBondContact CB-OE2 3.48Å; K113-E115 PolarHBondContact O-N 3.28Å; E115-G117 PolarHBondContact O-N 3.35Å; E115-L118 WeakPolarHBondContact O-CB 3.46Å; E115-L118 PolarHBondContact O-N 3.1Å; E115-L118 VanDerWaalsContact O-N 3.14Å; E115-R235 IonicContact OE1-CZ 2.66Å; E115-R235 IonicContact OE1-NH1 2.7Å; E115-R235 PolarHBondContact OE1-NH1 3.45Å; E115-R235 IonicContact OE1-NH2 3.67Å; E115-R235 PolarHBondContact OE1-NH2 2.83Å; E115-R235 IonicContact OE2-NH1 4Å; E115-R235 PolarHBondContact OE2-NH1 3.29Å
116	Y	86.9	Confident	81.1	Confident	90 Å²	90	69.4 Å²	69.4	35%	0.353	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	127.3	-174.8	-178.4	-95.4	0	0	0	111.9	F111 K113 P114 L118 V895	F111-Y116 AromaticContact CD1-CD2 3.81Å; F111-Y116 HydrophobicContact CD1-CD2 3.81Å; F111-Y116 HydrophobicContact CD1-CE1 4.12Å; F111-Y116 AromaticContact CD1-CE2 3.33Å; F111-Y116 HydrophobicContact CD1-CE2 3.33Å; F111-Y116 HydrophobicContact CD1-CG 4.39Å; F111-Y116 AromaticContact CD1-CZ 3.5Å; F111-Y116 HydrophobicContact CE1-CD2 4.37Å; F111-Y116 AromaticContact CE1-CE2 3.48Å; F111-Y116 HydrophobicContact CE1-CE2 3.48Å; F111-Y116 VanDerWaalsContact CE1-CE2 3.48Å; F111-Y116 AromaticContact CE1-CZ 3.56Å; F111-Y116 WeakPolarHBondContact CE1-OH 3.41Å; K113-Y116 WeakPolarHBondContact O-CB 3.14Å; K113-Y116 PolarHBondContact O-N 2.56Å; K113-Y116 VanDerWaalsContact O-N 3.09Å; P114-Y116 PolarHBondContact O-N 3.3Å; Y116-L118 PolarHBondContact O-N 3.28Å; Y116-V895 HydrophobicContact CD1-CB 4.49Å; Y116-V895 HydrophobicContact CD1-CG1 3.86Å; Y116-V895 HydrophobicContact CE1-CB 3.91Å; Y116-V895 HydrophobicContact CE1-CG1 3.67Å; Y116-V895 HydrophobicContact CE1-CG2 3.97Å
117	G	78.7	Confident	79.9	Confident	69 Å²	69	75.9 Å²	75.9	71%	0.711	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-4.6	179.5	0	0	0	0	0	115	E115	E115-G117 PolarHBondContact O-N 3.35Å
118	L	79.8	Confident	79.3	Confident	68 Å²	68	77.9 Å²	77.9	36%	0.356	43%	0.426	S	S	.	.			trans	-81.2	134.6	176.7	-67.5	174.1	0	0	0	111.4	P114 E115 Y116 F124 I167	P114-L118 WeakPolarHBondContact O-CD1 3.17Å; E115-L118 WeakPolarHBondContact O-CB 3.46Å; E115-L118 PolarHBondContact O-N 3.1Å; E115-L118 VanDerWaalsContact O-N 3.14Å; Y116-L118 PolarHBondContact O-N 3.28Å; L118-F124 HydrophobicContact CD1-CE1 3.85Å; L118-F124 HydrophobicContact CD1-CE2 4.28Å; L118-F124 HydrophobicContact CD1-CZ 3.34Å; L118-F124 HydrophobicContact CD2-CE1 4.09Å; L118-F124 HydrophobicContact CD2-CZ 4.41Å; L118-I167 HydrophobicContact CD1-CD1 4.41Å; L118-I167 HydrophobicContact CD2-CD1 4.42Å
119	K	66.1	Low	79.1	Confident	219 Å²	219	72.3 Å²	72.3	95%	0.952	40%	0.402	S	S	*	.	S	Bend	trans	-84.2	-22.2	176.4	-66	-174.2	-179.7	176.7	0	113.3
120	S	58.8	Low	79.1	Confident	69 Å²	69	69.9 Å²	69.9	48%	0.483	39%	0.385	S	S	.	.	S	Bend	trans	-154.2	151.1	179.2	-175.1	0	0	0	0	108.6	V122	S120-V122 WeakPolarHBondContact O-CG2 3.47Å; S120-V122 PolarHBondContact O-N 3.24Å
121	P	59.9	Low	79.2	Confident	120 Å²	120	69.4 Å²	69.4	78%	0.779	38%	0.38	S	S	*	.			trans	-62.5	119.3	165.9	-12.6	27.1	0	0	0	107.9
122	V	64.3	Low	79.3	Confident	85 Å²	85	69.3 Å²	69.3	52%	0.515	38%	0.38	S	S	.	.			trans	-121.5	145.8	175.2	-167.1	0	0	0	0	107.2	S120 F124	S120-V122 WeakPolarHBondContact O-CG2 3.47Å; S120-V122 PolarHBondContact O-N 3.24Å; V122-F124 HydrophobicContact CB-CE1 4.07Å; V122-F124 WeakPolarHBondContact O-CD1 3.47Å; V122-F124 WeakPolarHBondContact O-CE1 3.44Å; V122-F124 VanDerWaalsContact O-CE2 3.29Å; V122-F124 WeakPolarHBondContact O-CE2 3.28Å; V122-F124 WeakPolarHBondContact O-CZ 3.42Å; V122-F124 PolarHBondContact O-N 2.98Å
123	E	63.1	Low	79.3	Confident	130 Å²	130	69.5 Å²	69.5	61%	0.607	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-65.7	121.2	167.2	-83.8	176.1	-157.6	0	0	109.3	K618	E123-K618 WeakPolarHBondContact OE1-CE 3.39Å; E123-K618 IonicContact OE1-NZ 2.63Å; E123-K618 PolarHBondContact OE1-NZ 3.4Å; E123-K618 IonicContact OE2-NZ 3.17Å
124	F	69.2	Low	79.3	Confident	39 Å²	39	66.8 Å²	66.8	17%	0.171	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-90.1	137.5	-177.9	-49.9	-58.5	0	0	0	110.4	L118 V122 I167	L118-F124 HydrophobicContact CD1-CE1 3.85Å; L118-F124 HydrophobicContact CD1-CE2 4.28Å; L118-F124 HydrophobicContact CD1-CZ 3.34Å; L118-F124 HydrophobicContact CD2-CE1 4.09Å; L118-F124 HydrophobicContact CD2-CZ 4.41Å; V122-F124 HydrophobicContact CB-CE1 4.07Å; V122-F124 WeakPolarHBondContact O-CD1 3.47Å; V122-F124 WeakPolarHBondContact O-CE1 3.44Å; V122-F124 VanDerWaalsContact O-CE2 3.29Å; V122-F124 WeakPolarHBondContact O-CE2 3.28Å; V122-F124 WeakPolarHBondContact O-CZ 3.42Å; V122-F124 PolarHBondContact O-N 2.98Å; F124-I167 HydrophobicContact CB-CD1 4.18Å; F124-I167 HydrophobicContact CD1-CD1 2.99Å; F124-I167 HydrophobicContact CD1-CG1 4.48Å; F124-I167 HydrophobicContact CD2-CD1 3.81Å; F124-I167 HydrophobicContact CD2-CG2 4.36Å; F124-I167 HydrophobicContact CE1-CD1 3.13Å; F124-I167 HydrophobicContact CE2-CD1 3.92Å; F124-I167 HydrophobicContact CE2-CG2 4.36Å; F124-I167 HydrophobicContact CG-CD1 3.36Å; F124-I167 HydrophobicContact CZ-CD1 3.63Å
125	S	70.3	Confident	79.4	Confident	56 Å²	56	67.7 Å²	67.7	39%	0.392	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-66.4	153.3	171.5	74.6	0	0	0	0	110	N127 E128	S125-N127 PolarHBondContact O-N 2.89Å; S125-N127 VanDerWaalsContact O-N 3.12Å; S125-E128 WeakPolarHBondContact CB-OE2 3.48Å; S125-E128 PolarHBondContact N-OE2 2.71Å; S125-E128 PolarHBondContact O-N 3.25Å; S125-E128 VanDerWaalsContact O-N 3.14Å; S125-E128 VanDerWaalsContact OG-CG 3.28Å; S125-E128 WeakPolarHBondContact OG-CG 3.25Å; S125-E128 PolarHBondContact OG-OE2 2.95Å
126	S	68.3	Low	79.6	Confident	84 Å²	84	64.3 Å²	64.3	59%	0.587	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-59.3	-26.6	-179.4	54.9	0	0	0	0	113.6	E128	S126-E128 VanDerWaalsContact C-N 3.34Å
127	N	73.1	Confident	79.8	Confident	136 Å²	136	60.4 Å²	60.4	73%	0.727	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-82.8	-15	-176.4	-64	-7.3	0	0	0	112.7	S125	S125-N127 PolarHBondContact O-N 2.89Å; S125-N127 VanDerWaalsContact O-N 3.12Å
128	E	81.4	Confident	80.3	Confident	106 Å²	106	60 Å²	60	50%	0.495	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-96.5	-5.1	-179.4	-68.6	166.8	143.5	0	0	112.4	S125 S126 H166 I167	S125-E128 WeakPolarHBondContact CB-OE2 3.48Å; S125-E128 PolarHBondContact N-OE2 2.71Å; S125-E128 PolarHBondContact O-N 3.25Å; S125-E128 VanDerWaalsContact O-N 3.14Å; S125-E128 VanDerWaalsContact OG-CG 3.28Å; S125-E128 WeakPolarHBondContact OG-CG 3.25Å; S125-E128 PolarHBondContact OG-OE2 2.95Å; S126-E128 VanDerWaalsContact C-N 3.34Å; E128-H166 CarbonylContact O-C 3.59Å; E128-H166 WeakPolarHBondContact O-CA 3.38Å; E128-I167 PolarHBondContact O-N 2.91Å
129	K	90.5	Very high	80.6	Confident	24 Å²	24	56.8 Å²	56.8	10%	0.104	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.9	-176.3	74.1	-175.4	-169.1	-179	0	113.2	V131 I167 N619 T624	K129-V131 HydrophobicContact CD-CG2 4.41Å; K129-V131 HydrophobicContact CG-CG2 4.45Å; K129-I167 CarbonylContact C-O 3.58Å; K129-I167 WeakPolarHBondContact CA-O 3.32Å; K129-N619 WeakPolarHBondContact CD-O 3.22Å; K129-N619 PolarHBondContact NZ-O 3.48Å; K129-T624 PolarHBondContact O-OG1 3.06Å
130	F	95.1	Very high	81	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	105.8	168.4	178.7	-99	0	0	0	109	I132 L157 H161 I167 T168 L169 T624 L625	F130-I132 HydrophobicContact CD1-CG2 4.48Å; F130-I132 HydrophobicContact CE1-CB 4.34Å; F130-I132 HydrophobicContact CE1-CG2 3.8Å; F130-I132 HydrophobicContact CZ-CG2 4.39Å; F130-L157 HydrophobicContact CE1-CB 4.42Å; F130-L157 HydrophobicContact CZ-CB 4.02Å; F130-H161 HydrophobicContact CB-CB 3.84Å; F130-H161 HydrophobicContact CD1-CB 3.98Å; F130-H161 AromaticContact CD1-CD2 3.74Å; F130-H161 HydrophobicContact CD2-CB 4.5Å; F130-H161 AromaticContact CD2-CD2 3.17Å; F130-H161 WeakPolarHBondContact CD2-CD2 3.2Å; F130-H161 AromaticContact CD2-CE1 3.99Å; F130-H161 AromaticContact CD2-CG 3.76Å; F130-H161 AromaticContact CD2-NE2 3.35Å; F130-H161 VanDerWaalsContact CD2-NE2 3.35Å; F130-H161 WeakPolarHBondContact CD2-NE2 3.48Å; F130-H161 AromaticContact CE1-CD2 3.88Å; F130-H161 AromaticContact CE2-CD2 3.33Å; F130-H161 WeakPolarHBondContact CE2-CD2 3.41Å; F130-H161 AromaticContact CE2-NE2 3.45Å; F130-H161 WeakPolarHBondContact CE2-NE2 3.43Å; F130-H161 HydrophobicContact CG-CB 3.85Å; F130-H161 AromaticContact CG-CD2 3.39Å; F130-H161 WeakPolarHBondContact CG-CD2 3.42Å; F130-H161 AromaticContact CG-CG 3.6Å; F130-H161 AromaticContact CZ-CD2 3.68Å; F130-I167 PolarHBondContact N-O 3.13Å; F130-T168 HydrophobicContact CB-CG2 4.2Å; F130-T168 HydrophobicContact CD1-CG2 4.39Å; F130-T168 WeakPolarHBondContact O-CA 3.39Å; F130-L169 PolarHBondContact O-N 2.85Å; F130-T624 WeakPolarHBondContact CA-OG1 3.27Å; F130-T624 HydrophobicContact CD2-CG2 3.96Å; F130-T624 HydrophobicContact CE2-CG2 4.5Å; F130-L625 HydrophobicContact CE2-CB 3.92Å; F130-L625 HydrophobicContact CE2-CD2 4.15Å; F130-L625 HydrophobicContact CZ-CB 4.22Å; F130-L625 HydrophobicContact CZ-CD2 3.97Å
131	V	95.8	Very high	81.9	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.6	-178.9	-176.5	0	0	0	0	109.3	K129 L169 F608 F620 T624 L625	K129-V131 HydrophobicContact CD-CG2 4.41Å; K129-V131 HydrophobicContact CG-CG2 4.45Å; V131-L169 WeakPolarHBondContact CA-O 3.35Å; V131-L169 HydrophobicContact CG1-CB 4.4Å; V131-L169 HydrophobicContact CG1-CD2 4.47Å; V131-L169 HydrophobicContact CG2-CB 4.4Å; V131-F608 HydrophobicContact CG1-CZ 3.88Å; V131-F620 HydrophobicContact CG1-CB 4.24Å; V131-F620 HydrophobicContact CG2-CB 4.22Å; V131-F620 HydrophobicContact CG2-CD1 3.99Å; V131-T624 PolarHBondContact N-OG1 3.28Å; V131-T624 VanDerWaalsContact N-OG1 3.09Å; V131-T624 PolarHBondContact O-N 3.33Å; V131-L625 PolarHBondContact O-N 3.38Å
132	I	96.2	Very high	83.1	Confident	1 Å²	1	41 Å²	41	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.4	174.9	-179.4	162.2	0	0	0	109.4	F130 E154 L169 W170 N171 L625 E627	F130-I132 HydrophobicContact CD1-CG2 4.48Å; F130-I132 HydrophobicContact CE1-CB 4.34Å; F130-I132 HydrophobicContact CE1-CG2 3.8Å; F130-I132 HydrophobicContact CZ-CG2 4.39Å; I132-E154 HydrophobicContact CD1-CB 4.17Å; I132-E154 HydrophobicContact CD1-CG 3.78Å; I132-L169 PolarHBondContact N-O 3.47Å; I132-W170 HydrophobicContact CG2-CB 3.78Å; I132-W170 HydrophobicContact CG2-CG 3.73Å; I132-W170 WeakPolarHBondContact O-CA 3.43Å; I132-N171 PolarHBondContact O-N 2.87Å; I132-L625 HydrophobicContact CD1-CD2 4.21Å; I132-L625 HydrophobicContact CD1-CG 4.36Å; I132-E627 HydrophobicContact CD1-CB 4.02Å
133	V	95.1	Very high	84.3	Confident	8 Å²	8	37.1 Å²	37.1	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.2	175.7	-57.6	0	0	0	0	107.7	N171 F603 I607 F608 L626	V133-N171 HydrophobicContact CG1-CB 4.48Å; V133-F603 HydrophobicContact CB-CD1 4.21Å; V133-F603 HydrophobicContact CB-CE1 4.13Å; V133-F603 HydrophobicContact CG2-CD1 4.22Å; V133-I607 HydrophobicContact CB-CD1 4.13Å; V133-I607 HydrophobicContact CG1-CD1 3.33Å; V133-F608 HydrophobicContact CG1-CZ 4.34Å; V133-L626 HydrophobicContact CG2-CD1 4.09Å
134	I	94.1	Very high	85.5	Confident	6 Å²	6	33 Å²	33	3%	0.031	19%	0.187	C	C	.	.			trans	-63.6	139.9	178.1	-161.6	170.6	0	0	0	109.6	P136 W170 N171 G173 L224 L231 F603	I134-P136 WeakPolarHBondContact O-CD 3.37Å; I134-W170 HydrophobicContact CD1-CZ2 4.48Å; I134-N171 WeakPolarHBondContact CG2-O 3.26Å; I134-N171 PolarHBondContact N-O 3.28Å; I134-N171 VanDerWaalsContact N-O 3.1Å; I134-G173 VanDerWaalsContact CG2-N 3.33Å; I134-L224 HydrophobicContact CD1-CD1 4Å; I134-L224 HydrophobicContact CD1-CD2 4.26Å; I134-L231 HydrophobicContact CD1-CD1 4.38Å; I134-F603 WeakPolarHBondContact O-CE1 3.22Å
135	P	92.7	Very high	86.6	Confident	26 Å²	26	31.2 Å²	31.2	17%	0.169	18%	0.179	C	C	.	.			trans	-55	104.4	158.8	-21.6	30.5	0	0	0	109.3	P137 E154 E627 W636	P135-P137 WeakPolarHBondContact O-CD 3.36Å; P135-E154 WeakPolarHBondContact CD-OE1 3.29Å; P135-E627 VanDerWaalsContact CG-O 3.24Å; P135-E627 WeakPolarHBondContact CG-O 3.46Å; P135-W636 VanDerWaalsContact CA-CZ3 3.5Å; P135-W636 HydrophobicContact CB-CE3 4.42Å; P135-W636 HydrophobicContact CB-CH2 3.98Å; P135-W636 HydrophobicContact CB-CZ3 3.55Å; P135-W636 HydrophobicContact CG-CH2 4.31Å; P135-W636 HydrophobicContact CG-CZ3 3.83Å
136	P	91.9	Very high	87.5	Confident	12 Å²	12	29.3 Å²	29.3	8%	0.078	17%	0.168	C	C	.	.			trans	-66	112.6	-166.3	25.9	-32.4	0	0	0	109	I134 N138 D175 F603 W636	I134-P136 WeakPolarHBondContact O-CD 3.37Å; P136-N138 PolarHBondContact O-N 2.95Å; P136-D175 HydrophobicContact CB-CB 4.12Å; P136-D175 HydrophobicContact CG-CB 4.14Å; P136-F603 HydrophobicContact CB-CE1 4.38Å; P136-F603 HydrophobicContact CB-CE2 4.2Å; P136-F603 HydrophobicContact CB-CZ 4.02Å; P136-F603 HydrophobicContact CG-CD1 4.38Å; P136-F603 HydrophobicContact CG-CD2 4.39Å; P136-F603 HydrophobicContact CG-CE1 4.31Å; P136-F603 HydrophobicContact CG-CE2 4.33Å; P136-F603 HydrophobicContact CG-CG 4.42Å; P136-F603 HydrophobicContact CG-CZ 4.3Å; P136-W636 HydrophobicContact CG-CZ2 4.22Å
137	P	91.1	Very high	88.6	Confident	8 Å²	8	28 Å²	28	5%	0.052	15%	0.152	C	C	.	.			trans	-60	138.1	-178.8	21.2	-34.7	0	0	0	111.3	P135 L143 G173 D175 I220	P135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-L143 HydrophobicContact CB-CD2 3.65Å; P137-L143 HydrophobicContact CG-CD2 4.25Å; P137-G173 WeakPolarHBondContact CD-O 3.48Å; P137-D175 PolarHBondContact O-N 3.41Å; P137-I220 HydrophobicContact CB-CG2 4.12Å; P137-I220 HydrophobicContact CG-CG2 3.54Å
138	N	88.8	Confident	89.6	Confident	59 Å²	59	21.5 Å²	21.5	32%	0.316	12%	0.118	S	C	.	.	B	Isolated β-bridge	trans	-66.9	132.7	178.1	-68.8	-29.4	0	0	0	110.8	P136 T140 A177	P136-N138 PolarHBondContact O-N 2.95Å; N138-T140 HydrophobicContact CB-CG2 3.96Å; N138-T140 PolarHBondContact O-N 3.48Å; N138-T140 PolarHBondContact O-OG1 3.39Å; N138-A177 HydrophobicContact CB-CB 3.66Å; N138-A177 WeakPolarHBondContact OD1-CB 3.29Å
139	V	86.2	Confident	90.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	9%	0.094	C	C	.	.	S	Bend	trans	-77.3	54.6	179.2	-163.9	0	0	0	0	112.4	C174 D175 W212 K213 K216 F238	V139-C174 HydrophobicContact CG2-CB 3.84Å; V139-D175 WeakPolarHBondContact CG2-O 3.38Å; V139-D175 PolarHBondContact N-O 3.45Å; V139-W212 PolarHBondContact O-NE1 3.15Å; V139-K213 HydrophobicContact CG1-CB 4.34Å; V139-K213 HydrophobicContact CG1-CG 4.21Å; V139-K213 HydrophobicContact CG2-CG 4.49Å; V139-K216 HydrophobicContact CG1-CB 3.83Å; V139-F238 HydrophobicContact CG2-CE2 4.01Å
140	T	75.5	Confident	90.4	Very high	29 Å²	29	15.9 Å²	15.9	18%	0.178	9%	0.094	C	C	.	.	S	Bend	trans	-110.9	-0.7	-173.7	57.4	0	0	0	0	113.1	N138 A177 A180	N138-T140 HydrophobicContact CB-CG2 3.96Å; N138-T140 PolarHBondContact O-N 3.48Å; N138-T140 PolarHBondContact O-OG1 3.39Å; T140-A177 HydrophobicContact CG2-CB 4.26Å; T140-A180 HydrophobicContact CG2-CB 3.78Å
141	G	77.7	Confident	90.4	Very high	8 Å²	8	15.9 Å²	15.9	8%	0.082	9%	0.094	C	C	.	.	S	Bend	trans	155.9	-136.5	179.4	0	0	0	0	0	111
142	T	84.5	Confident	90.5	Very high	40 Å²	40	15.9 Å²	15.9	25%	0.245	9%	0.094	C	C	.	.			trans	-95.6	162	177.6	61.2	0	0	0	0	111.5	Y219 K672	T142-Y219 HydrophobicContact CG2-CD1 3.74Å; T142-Y219 HydrophobicContact CG2-CE1 3.29Å; T142-K672 VanDerWaalsContact O-CE 3.24Å; T142-K672 WeakPolarHBondContact O-CE 3.15Å; T142-K672 PolarHBondContact O-NZ 2.86Å
143	L	89.6	Confident	90.5	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	9%	0.093	C	C	.	.			trans	-68.5	167	167.8	-60	-174.9	0	0	0	111.2	P137 H147 I220 Q223 L224 P680	P137-L143 HydrophobicContact CB-CD2 3.65Å; P137-L143 HydrophobicContact CG-CD2 4.25Å; L143-H147 HydrophobicContact CB-CB 4.09Å; L143-H147 HydrophobicContact CD1-CB 4.4Å; L143-H147 HydrophobicContact CD2-CB 4.02Å; L143-H147 HydrophobicContact CG-CB 4.4Å; L143-I220 HydrophobicContact CD1-CG2 4.29Å; L143-I220 HydrophobicContact CD2-CG1 4.35Å; L143-I220 HydrophobicContact CD2-CG2 3.97Å; L143-I220 HydrophobicContact CG-CG1 4.45Å; L143-I220 HydrophobicContact CG-CG2 4.19Å; L143-Q223 HydrophobicContact CD1-CB 3.86Å; L143-Q223 HydrophobicContact CG-CB 4.31Å; L143-L224 HydrophobicContact CD1-CD2 3.64Å; L143-L224 HydrophobicContact CD1-CG 3.89Å; L143-P680 HydrophobicContact CB-CG 4.47Å
144	H	88.7	Confident	90.6	Very high	45 Å²	45	15.5 Å²	15.5	21%	0.208	9%	0.092	C	C	.	.			trans	-138.5	171.3	178.8	58.9	53.2	0	0	0	110.1	G146 H147 A148 V677 I678	H144-G146 WeakPolarHBondContact ND1-CA 3.29Å; H144-G146 PolarHBondContact ND1-N 3.02Å; H144-G146 VanDerWaalsContact ND1-N 3.1Å; H144-G146 PolarHBondContact O-N 3.02Å; H144-G146 VanDerWaalsContact O-N 3.09Å; H144-H147 AromaticContact CD2-CE1 3.48Å; H144-H147 PolarHBondContact CD2-CE1 2.69Å; H144-H147 VanDerWaalsContact CD2-CE1 3.48Å; H144-H147 AromaticContact CD2-ND1 3.48Å; H144-H147 PolarHBondContact CD2-ND1 2.96Å; H144-H147 AromaticContact CE1-CE1 3.36Å; H144-H147 PolarHBondContact CE1-CE1 3.18Å; H144-H147 AromaticContact CE1-CG 3.97Å; H144-H147 AromaticContact CE1-ND1 3.18Å; H144-H147 PolarHBondContact CE1-ND1 2.7Å; H144-H147 AromaticContact CG-CE1 3.85Å; H144-H147 AromaticContact CG-ND1 3.35Å; H144-H147 VanDerWaalsContact CG-ND1 3.35Å; H144-H147 PolarHBondContact N-ND1 3.07Å; H144-H147 AromaticContact ND1-CE1 3.78Å; H144-H147 AromaticContact ND1-CG 3.98Å; H144-H147 PolarHBondContact ND1-N 3.2Å; H144-H147 AromaticContact ND1-ND1 3.16Å; H144-H147 PolarHBondContact ND1-ND1 2.65Å; H144-H147 VanDerWaalsContact ND1-ND1 3.16Å; H144-H147 AromaticContact NE2-CE1 3.15Å; H144-H147 PolarHBondContact NE2-CE1 3.23Å; H144-H147 AromaticContact NE2-ND1 3.38Å; H144-H147 PolarHBondContact NE2-ND1 3.17Å; H144-H147 WeakPolarHBondContact O-CA 3.21Å; H144-H147 WeakPolarHBondContact O-CB 3.37Å; H144-H147 PolarHBondContact O-N 3.37Å; H144-A148 PolarHBondContact O-N 3.18Å; H144-A148 VanDerWaalsContact O-N 3.15Å; H144-V677 HydrophobicContact CB-CB 4.48Å; H144-V677 HydrophobicContact CB-CG1 3.45Å; H144-V677 VanDerWaalsContact CB-CG1 3.45Å; H144-V677 HydrophobicContact CB-CG2 4.37Å; H144-I678 WeakPolarHBondContact CA-O 3.44Å
145	L	91.5	Very high	90.8	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-55.9	-29.7	-177.8	-66.2	173.5	0	0	0	115	H147 A148 L149 M670 I678 V683 L729 L745 V747	L145-H147 PolarHBondContact O-N 2.87Å; L145-A148 WeakPolarHBondContact O-CB 3.47Å; L145-A148 PolarHBondContact O-N 3.46Å; L145-L149 PolarHBondContact O-N 2.57Å; L145-M670 HydrophobicContact CB-CE 3.88Å; L145-M670 HydrophobicContact CB-SD 4.25Å; L145-M670 HydrophobicContact CD1-CE 4.18Å; L145-M670 HydrophobicContact CD1-SD 4.25Å; L145-I678 HydrophobicContact CD1-CB 3.73Å; L145-I678 HydrophobicContact CD1-CG1 4.37Å; L145-I678 HydrophobicContact CD1-CG2 4.04Å; L145-I678 HydrophobicContact CG-CB 4.16Å; L145-I678 HydrophobicContact CG-CG2 4.4Å; L145-I678 PolarHBondContact N-O 3.24Å; L145-V683 HydrophobicContact CD2-CG2 4.09Å; L145-L729 HydrophobicContact CD2-CD1 3.81Å; L145-L729 HydrophobicContact CD2-CD2 4.4Å; L145-L745 HydrophobicContact CD1-CD2 3.73Å; L145-V747 HydrophobicContact CD1-CG2 4.04Å
146	G	89.3	Confident	91.1	Very high	15 Å²	15	14 Å²	14	16%	0.155	8%	0.082	C	C	.	.	H	α-helix	trans	-60.3	-38.8	169.1	0	0	0	0	0	114.3	H144 L149 A150	H144-G146 WeakPolarHBondContact ND1-CA 3.29Å; H144-G146 PolarHBondContact ND1-N 3.02Å; H144-G146 VanDerWaalsContact ND1-N 3.1Å; H144-G146 PolarHBondContact O-N 3.02Å; H144-G146 VanDerWaalsContact O-N 3.09Å; G146-L149 PolarHBondContact O-N 2.82Å; G146-A150 PolarHBondContact O-N 3.13Å
147	H	91.5	Very high	91.3	Very high	57 Å²	57	13.5 Å²	13.5	26%	0.264	8%	0.079	S	C	.	.	H	α-helix	trans	-70.7	-36.4	173.3	-60.5	101.9	0	0	0	111.2	L143 H144 L145 L149 A150 N151	L143-H147 HydrophobicContact CB-CB 4.09Å; L143-H147 HydrophobicContact CD1-CB 4.4Å; L143-H147 HydrophobicContact CD2-CB 4.02Å; L143-H147 HydrophobicContact CG-CB 4.4Å; H144-H147 AromaticContact CD2-CE1 3.48Å; H144-H147 PolarHBondContact CD2-CE1 2.69Å; H144-H147 VanDerWaalsContact CD2-CE1 3.48Å; H144-H147 AromaticContact CD2-ND1 3.48Å; H144-H147 PolarHBondContact CD2-ND1 2.96Å; H144-H147 AromaticContact CE1-CE1 3.36Å; H144-H147 PolarHBondContact CE1-CE1 3.18Å; H144-H147 AromaticContact CE1-CG 3.97Å; H144-H147 AromaticContact CE1-ND1 3.18Å; H144-H147 PolarHBondContact CE1-ND1 2.7Å; H144-H147 AromaticContact CG-CE1 3.85Å; H144-H147 AromaticContact CG-ND1 3.35Å; H144-H147 VanDerWaalsContact CG-ND1 3.35Å; H144-H147 PolarHBondContact N-ND1 3.07Å; H144-H147 AromaticContact ND1-CE1 3.78Å; H144-H147 AromaticContact ND1-CG 3.98Å; H144-H147 PolarHBondContact ND1-N 3.2Å; H144-H147 AromaticContact ND1-ND1 3.16Å; H144-H147 PolarHBondContact ND1-ND1 2.65Å; H144-H147 VanDerWaalsContact ND1-ND1 3.16Å; H144-H147 AromaticContact NE2-CE1 3.15Å; H144-H147 PolarHBondContact NE2-CE1 3.23Å; H144-H147 AromaticContact NE2-ND1 3.38Å; H144-H147 PolarHBondContact NE2-ND1 3.17Å; H144-H147 WeakPolarHBondContact O-CA 3.21Å; H144-H147 WeakPolarHBondContact O-CB 3.37Å; H144-H147 PolarHBondContact O-N 3.37Å; L145-H147 PolarHBondContact O-N 2.87Å; H147-L149 VanDerWaalsContact C-N 3.27Å; H147-L149 PolarHBondContact O-N 3.44Å; H147-A150 PolarHBondContact O-N 2.94Å; H147-N151 WeakPolarHBondContact O-CB 3.42Å; H147-N151 PolarHBondContact O-N 3.24Å
148	A	94.8	Very high	91.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-35.4	174.5	0	0	0	0	0	111.7	H144 L145 S152 L227 P680 L729 L733	H144-A148 PolarHBondContact O-N 3.18Å; H144-A148 VanDerWaalsContact O-N 3.15Å; L145-A148 WeakPolarHBondContact O-CB 3.47Å; L145-A148 PolarHBondContact O-N 3.46Å; A148-S152 VanDerWaalsContact O-CB 3.28Å; A148-S152 WeakPolarHBondContact O-CB 3.5Å; A148-S152 PolarHBondContact O-N 3.34Å; A148-S152 PolarHBondContact O-OG 3.12Å; A148-L227 HydrophobicContact CB-CD1 4.14Å; A148-L227 HydrophobicContact CB-CD2 3.99Å; A148-P680 HydrophobicContact CB-CB 4.07Å; A148-P680 HydrophobicContact CB-CG 3.87Å; A148-L729 HydrophobicContact CB-CD2 4.48Å; A148-L733 HydrophobicContact CB-CD1 3.65Å
149	L	94.6	Very high	92.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.9	-56.7	174.7	174.7	64.6	0	0	0	110.9	L145 G146 H147 N151 S152 I153 S660 V662 L733 T737 I743	L145-L149 PolarHBondContact O-N 2.57Å; G146-L149 PolarHBondContact O-N 2.82Å; H147-L149 VanDerWaalsContact C-N 3.27Å; H147-L149 PolarHBondContact O-N 3.44Å; L149-N151 VanDerWaalsContact C-N 3.27Å; L149-N151 PolarHBondContact O-N 3.05Å; L149-S152 PolarHBondContact O-N 3.19Å; L149-S152 VanDerWaalsContact O-N 3.08Å; L149-I153 HydrophobicContact CD1-CD1 3.77Å; L149-I153 HydrophobicContact CD1-CG1 4.23Å; L149-I153 HydrophobicContact CG-CD1 3.91Å; L149-I153 WeakPolarHBondContact O-CG1 3.36Å; L149-I153 PolarHBondContact O-N 2.95Å; L149-S660 WeakPolarHBondContact CD2-O 3.49Å; L149-V662 HydrophobicContact CB-CG2 3.95Å; L149-V662 HydrophobicContact CD2-CG2 3.49Å; L149-V662 VanDerWaalsContact CD2-CG2 3.49Å; L149-V662 HydrophobicContact CG-CG2 4.34Å; L149-L733 HydrophobicContact CB-CD2 4.3Å; L149-L733 HydrophobicContact CD1-CB 3.88Å; L149-L733 WeakPolarHBondContact CD1-O 3.44Å; L149-T737 HydrophobicContact CD1-CG2 4.01Å; L149-I743 HydrophobicContact CD2-CD1 3.65Å
150	A	93.9	Very high	92.6	Very high	12 Å²	12	11.1 Å²	11.1	10%	0.099	6%	0.064	C	C	.	.	H	α-helix	trans	-51	-52.4	178.7	0	0	0	0	0	110.2	G146 H147 S152 I153 E154	G146-A150 PolarHBondContact O-N 3.13Å; H147-A150 PolarHBondContact O-N 2.94Å; A150-S152 VanDerWaalsContact C-N 3.34Å; A150-S152 PolarHBondContact O-N 3.32Å; A150-I153 PolarHBondContact O-N 2.96Å; A150-I153 VanDerWaalsContact O-N 3.13Å; A150-E154 VanDerWaalsContact O-CG 3.29Å; A150-E154 WeakPolarHBondContact O-CG 3.37Å; A150-E154 PolarHBondContact O-N 3.22Å
151	N	95.8	Very high	93.6	Very high	2 Å²	2	11 Å²	11	1%	0.011	6%	0.061	C	C	.	.	H	α-helix	trans	-61.9	-37.7	180	-170.2	-94.9	0	0	0	113.8	H147 L149 I153 D155 W170 L224 S229	H147-N151 WeakPolarHBondContact O-CB 3.42Å; H147-N151 PolarHBondContact O-N 3.24Å; L149-N151 VanDerWaalsContact C-N 3.27Å; L149-N151 PolarHBondContact O-N 3.05Å; N151-I153 VanDerWaalsContact C-N 3.34Å; N151-D155 WeakPolarHBondContact O-CB 3.36Å; N151-D155 PolarHBondContact O-N 3.48Å; N151-W170 WeakPolarHBondContact ND2-CH2 3.28Å; N151-W170 VanDerWaalsContact ND2-CZ2 3.33Å; N151-W170 WeakPolarHBondContact ND2-CZ2 3.48Å; N151-W170 WeakPolarHBondContact O-CH2 3.38Å; N151-L224 WeakPolarHBondContact ND2-CD2 3.45Å; N151-S229 PolarHBondContact ND2-OG 3.4Å; N151-S229 PolarHBondContact OD1-OG 3.37Å
152	S	97.1	Very high	94.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.5	-39.4	177.2	-60	0	0	0	0	111.5	A148 L149 A150 C156	A148-S152 VanDerWaalsContact O-CB 3.28Å; A148-S152 WeakPolarHBondContact O-CB 3.5Å; A148-S152 PolarHBondContact O-N 3.34Å; A148-S152 PolarHBondContact O-OG 3.12Å; L149-S152 PolarHBondContact O-N 3.19Å; L149-S152 VanDerWaalsContact O-N 3.08Å; A150-S152 VanDerWaalsContact C-N 3.34Å; A150-S152 PolarHBondContact O-N 3.32Å; S152-C156 VanDerWaalsContact O-CB 3.28Å; S152-C156 WeakPolarHBondContact O-CB 3.44Å; S152-C156 PolarHBondContact O-N 3.38Å
153	I	96.7	Very high	94.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.8	-51.6	177	-68	168.2	0	0	0	110.2	L149 A150 N151 D155 C156 L157 E627 Y657 H659 T737 F814	L149-I153 HydrophobicContact CD1-CD1 3.77Å; L149-I153 HydrophobicContact CD1-CG1 4.23Å; L149-I153 HydrophobicContact CG-CD1 3.91Å; L149-I153 WeakPolarHBondContact O-CG1 3.36Å; L149-I153 PolarHBondContact O-N 2.95Å; A150-I153 PolarHBondContact O-N 2.96Å; A150-I153 VanDerWaalsContact O-N 3.13Å; N151-I153 VanDerWaalsContact C-N 3.34Å; I153-D155 VanDerWaalsContact C-N 3.35Å; I153-D155 PolarHBondContact O-N 3.42Å; I153-C156 PolarHBondContact O-N 3.04Å; I153-C156 PolarHBondContact O-SG 3.17Å; I153-L157 HydrophobicContact CG2-CD1 4.19Å; I153-L157 WeakPolarHBondContact O-CG 3.5Å; I153-L157 PolarHBondContact O-N 2.97Å; I153-L157 VanDerWaalsContact O-N 3.09Å; I153-E627 WeakPolarHBondContact CD1-OE1 3.43Å; I153-E627 HydrophobicContact CG2-CG 3.85Å; I153-Y657 HydrophobicContact CD1-CE1 4.41Å; I153-Y657 HydrophobicContact CG2-CD1 4.32Å; I153-Y657 HydrophobicContact CG2-CE1 4.11Å; I153-H659 HydrophobicContact CD1-CB 3.9Å; I153-T737 HydrophobicContact CD1-CG2 4.12Å; I153-F814 HydrophobicContact CG1-CD2 4.35Å; I153-F814 HydrophobicContact CG1-CE2 4.26Å; I153-F814 HydrophobicContact CG2-CD2 4.49Å; I153-F814 HydrophobicContact CG2-CE1 4.48Å; I153-F814 HydrophobicContact CG2-CE2 3.63Å; I153-F814 HydrophobicContact CG2-CZ 3.64Å
154	E	97.6	Very high	95.1	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-59	-45.4	179.6	-67.4	179.4	114.8	0	0	111.9	I132 P135 A150 L157 T158 W170 E627	I132-E154 HydrophobicContact CD1-CB 4.17Å; I132-E154 HydrophobicContact CD1-CG 3.78Å; P135-E154 WeakPolarHBondContact CD-OE1 3.29Å; A150-E154 VanDerWaalsContact O-CG 3.29Å; A150-E154 WeakPolarHBondContact O-CG 3.37Å; A150-E154 PolarHBondContact O-N 3.22Å; E154-L157 PolarHBondContact O-N 3.45Å; E154-T158 WeakPolarHBondContact O-CB 3.33Å; E154-T158 PolarHBondContact O-N 3.31Å; E154-T158 PolarHBondContact O-OG1 3.33Å; E154-W170 HydrophobicContact CB-CD2 4.46Å; E154-W170 HydrophobicContact CB-CH2 3.96Å; E154-W170 HydrophobicContact CB-CZ2 3.3Å; E154-W170 HydrophobicContact CG-CZ2 4.21Å; E154-W170 VanDerWaalsContact OE2-CZ2 3.29Å; E154-W170 WeakPolarHBondContact OE2-CZ2 3.48Å; E154-E627 HydrophobicContact CG-CB 3.85Å; E154-E627 HydrophobicContact CG-CG 4.22Å
155	D	98	Very high	95.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68.9	-39.2	-179.8	-165.2	45.3	0	0	0	111.9	N151 I153 L157 T158 R159 W170 S230 R730	N151-D155 WeakPolarHBondContact O-CB 3.36Å; N151-D155 PolarHBondContact O-N 3.48Å; I153-D155 VanDerWaalsContact C-N 3.35Å; I153-D155 PolarHBondContact O-N 3.42Å; D155-L157 VanDerWaalsContact C-N 3.33Å; D155-L157 PolarHBondContact O-N 3.43Å; D155-T158 PolarHBondContact O-N 3.29Å; D155-R159 VanDerWaalsContact O-CB 3.31Å; D155-R159 WeakPolarHBondContact O-CB 3.48Å; D155-R159 VanDerWaalsContact O-CG 3.27Å; D155-R159 WeakPolarHBondContact O-CG 3.34Å; D155-R159 PolarHBondContact O-N 3.13Å; D155-R159 IonicContact OD1-NE 3.18Å; D155-R159 PolarHBondContact OD1-NE 2.85Å; D155-R159 WeakPolarHBondContact OD2-CD 3.27Å; D155-R159 IonicContact OD2-CZ 2.69Å; D155-R159 IonicContact OD2-NE 3.56Å; D155-R159 PolarHBondContact OD2-NE 2.87Å; D155-R159 IonicContact OD2-NH2 3.7Å; D155-W170 HydrophobicContact CB-CE3 4.33Å; D155-W170 HydrophobicContact CB-CH2 3.58Å; D155-W170 HydrophobicContact CB-CZ3 3.35Å; D155-W170 WeakPolarHBondContact OD1-CZ3 3.28Å; D155-S230 WeakPolarHBondContact OD1-CB 3.3Å; D155-S230 PolarHBondContact OD1-N 3.45Å; D155-S230 PolarHBondContact OD1-OG 3.46Å; D155-R730 IonicContact OD2-CZ 2.71Å; D155-R730 IonicContact OD2-NH1 3.62Å; D155-R730 PolarHBondContact OD2-NH1 2.97Å; D155-R730 IonicContact OD2-NH2 3.22Å; D155-R730 PolarHBondContact OD2-NH2 2.85Å
156	C	97.5	Very high	95.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.4	-39.2	179.2	82.5	0	0	0	0	111.4	S152 I153 W160 F809 P869 F870	S152-C156 VanDerWaalsContact O-CB 3.28Å; S152-C156 WeakPolarHBondContact O-CB 3.44Å; S152-C156 PolarHBondContact O-N 3.38Å; I153-C156 PolarHBondContact O-N 3.04Å; I153-C156 PolarHBondContact O-SG 3.17Å; C156-W160 WeakPolarHBondContact O-CB 3.23Å; C156-W160 PolarHBondContact O-N 3.37Å; C156-F809 HydrophobicContact CB-CE1 4.36Å; C156-P869 WeakPolarHBondContact CA-O 3.5Å; C156-P869 HydrophobicContact CB-CB 4.13Å; C156-P869 WeakPolarHBondContact CB-O 3.47Å; C156-F870 HydrophobicContact CB-CD1 4.01Å; C156-F870 HydrophobicContact CB-CE1 3.92Å; C156-F870 HydrophobicContact CB-CZ 4.49Å
157	L	97.5	Very high	95.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-67.6	-44	175	-73.3	172.2	0	0	0	111.3	F130 I153 E154 D155 W160 H161 L625 F809 Y812 F814	F130-L157 HydrophobicContact CE1-CB 4.42Å; F130-L157 HydrophobicContact CZ-CB 4.02Å; I153-L157 HydrophobicContact CG2-CD1 4.19Å; I153-L157 WeakPolarHBondContact O-CG 3.5Å; I153-L157 PolarHBondContact O-N 2.97Å; I153-L157 VanDerWaalsContact O-N 3.09Å; E154-L157 PolarHBondContact O-N 3.45Å; D155-L157 VanDerWaalsContact C-N 3.33Å; D155-L157 PolarHBondContact O-N 3.43Å; L157-W160 PolarHBondContact O-N 2.91Å; L157-H161 WeakPolarHBondContact O-CB 3.29Å; L157-H161 PolarHBondContact O-CD2 3.23Å; L157-H161 VanDerWaalsContact O-CD2 3.27Å; L157-H161 PolarHBondContact O-N 2.94Å; L157-L625 HydrophobicContact CD1-CD2 3.48Å; L157-L625 VanDerWaalsContact CD1-CD2 3.48Å; L157-F809 HydrophobicContact CD2-CD1 4.25Å; L157-Y812 HydrophobicContact CD1-CD1 4.2Å; L157-Y812 HydrophobicContact CD1-CE1 3.95Å; L157-Y812 HydrophobicContact CD2-CE1 4.43Å; L157-F814 HydrophobicContact CD1-CE1 4.36Å; L157-F814 HydrophobicContact CD1-CZ 3.96Å; L157-F814 HydrophobicContact CD2-CE1 3.79Å; L157-F814 HydrophobicContact CD2-CZ 4.11Å; L157-F814 HydrophobicContact CG-CE1 3.89Å; L157-F814 HydrophobicContact CG-CZ 4.02Å
158	T	97.5	Very high	95.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.2	-47.9	178	-56.8	0	0	0	0	110.9	E154 D155 H161 R162 W170	E154-T158 WeakPolarHBondContact O-CB 3.33Å; E154-T158 PolarHBondContact O-N 3.31Å; E154-T158 PolarHBondContact O-OG1 3.33Å; D155-T158 PolarHBondContact O-N 3.29Å; T158-H161 PolarHBondContact O-N 3.4Å; T158-R162 WeakPolarHBondContact O-CB 3.14Å; T158-R162 PolarHBondContact O-N 2.9Å; T158-W170 HydrophobicContact CG2-CB 3.88Å
159	R	97.8	Very high	95.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-45.3	176.3	-73.3	176.9	-177.9	-89.4	1.4	111.5	D155 H161 R162 M163 G228 P869 P872 C894	D155-R159 VanDerWaalsContact O-CB 3.31Å; D155-R159 WeakPolarHBondContact O-CB 3.48Å; D155-R159 VanDerWaalsContact O-CG 3.27Å; D155-R159 WeakPolarHBondContact O-CG 3.34Å; D155-R159 PolarHBondContact O-N 3.13Å; D155-R159 IonicContact OD1-NE 3.18Å; D155-R159 PolarHBondContact OD1-NE 2.85Å; D155-R159 WeakPolarHBondContact OD2-CD 3.27Å; D155-R159 IonicContact OD2-CZ 2.69Å; D155-R159 IonicContact OD2-NE 3.56Å; D155-R159 PolarHBondContact OD2-NE 2.87Å; D155-R159 IonicContact OD2-NH2 3.7Å; R159-H161 PolarHBondContact O-N 3.42Å; R159-R162 WeakPolarHBondContact O-CB 3.5Å; R159-R162 PolarHBondContact O-N 3.42Å; R159-M163 WeakPolarHBondContact O-CB 3.38Å; R159-M163 WeakPolarHBondContact O-CG 3.38Å; R159-M163 PolarHBondContact O-N 3.31Å; R159-G228 PolarHBondContact NH2-O 2.98Å; R159-P869 HydrophobicContact CB-CB 4.15Å; R159-P869 HydrophobicContact CB-CG 4.49Å; R159-P872 VanDerWaalsContact CZ-CB 3.47Å; R159-C894 PolarHBondContact NH1-SG 3.25Å
160	W	97.4	Very high	95.7	Very high	17 Å²	17	14.9 Å²	14.9	6%	0.064	9%	0.087	C	C	.	.	H	α-helix	trans	-59.4	-48.9	177.8	175.9	69.8	0	0	0	111.7	C156 L157 R162 M163 K164 F809 Q810 P869 Y898	C156-W160 WeakPolarHBondContact O-CB 3.23Å; C156-W160 PolarHBondContact O-N 3.37Å; L157-W160 PolarHBondContact O-N 2.91Å; W160-R162 VanDerWaalsContact C-N 3.33Å; W160-R162 PolarHBondContact O-N 2.91Å; W160-M163 PolarHBondContact O-N 2.84Å; W160-K164 HydrophobicContact CD2-CG 4.38Å; W160-K164 HydrophobicContact CZ2-CG 4.35Å; W160-K164 VanDerWaalsContact O-CG 3.3Å; W160-K164 WeakPolarHBondContact O-CG 3.4Å; W160-K164 PolarHBondContact O-N 3.25Å; W160-F809 HydrophobicContact CB-CD1 4.23Å; W160-F809 HydrophobicContact CB-CE1 4.11Å; W160-F809 HydrophobicContact CB-CE2 4.41Å; W160-F809 HydrophobicContact CB-CG 4.44Å; W160-F809 HydrophobicContact CB-CZ 4.2Å; W160-F809 AromaticContact CD1-CD2 3.53Å; W160-F809 AromaticContact CD1-CE2 3.82Å; W160-F809 AromaticContact CD1-CG 3.93Å; W160-F809 HydrophobicContact CD2-CB 3.74Å; W160-F809 HydrophobicContact CD2-CD1 4.2Å; W160-F809 HydrophobicContact CD2-CD2 4.21Å; W160-F809 AromaticContact CD2-CG 3.82Å; W160-F809 HydrophobicContact CD2-CG 3.82Å; W160-F809 AromaticContact CE2-CG 3.95Å; W160-F809 HydrophobicContact CE3-CB 4.04Å; W160-F809 HydrophobicContact CE3-CG 4.37Å; W160-F809 HydrophobicContact CG-CB 4.28Å; W160-F809 HydrophobicContact CG-CD1 4.07Å; W160-F809 AromaticContact CG-CD2 3.86Å; W160-F809 HydrophobicContact CG-CD2 3.86Å; W160-F809 HydrophobicContact CG-CE1 4.34Å; W160-F809 HydrophobicContact CG-CE2 4.14Å; W160-F809 AromaticContact CG-CG 3.82Å; W160-F809 HydrophobicContact CG-CG 3.82Å; W160-F809 HydrophobicContact CG-CZ 4.37Å; W160-F809 HydrophobicContact CH2-CB 4.03Å; W160-F809 HydrophobicContact CZ2-CB 3.74Å; W160-F809 HydrophobicContact CZ3-CB 4.16Å; W160-F809 AromaticContact NE1-CD2 3.69Å; W160-F809 AromaticContact NE1-CG 4Å; W160-Q810 HydrophobicContact CH2-CG 3.97Å; W160-Q810 HydrophobicContact CZ2-CG 4.31Å; W160-P869 HydrophobicContact CB-CG 4.37Å; W160-Y898 AromaticContact CD1-CD1 3.75Å; W160-Y898 AromaticContact CD1-CD2 3.9Å; W160-Y898 AromaticContact CD1-CE1 3.78Å; W160-Y898 AromaticContact CD1-CE2 3.94Å; W160-Y898 AromaticContact CD1-CG 3.81Å; W160-Y898 AromaticContact CD1-CZ 3.87Å; W160-Y898 AromaticContact NE1-CD1 3.67Å; W160-Y898 AromaticContact NE1-CE1 3.73Å
161	H	95.9	Very high	95.8	Very high	25 Å²	25	14.4 Å²	14.4	12%	0.116	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-39.4	176.1	-82.8	-64.8	0	0	0	113	F130 L157 T158 R159 K164 G165 H166 T168	F130-H161 HydrophobicContact CB-CB 3.84Å; F130-H161 HydrophobicContact CD1-CB 3.98Å; F130-H161 AromaticContact CD1-CD2 3.74Å; F130-H161 HydrophobicContact CD2-CB 4.5Å; F130-H161 AromaticContact CD2-CD2 3.17Å; F130-H161 WeakPolarHBondContact CD2-CD2 3.2Å; F130-H161 AromaticContact CD2-CE1 3.99Å; F130-H161 AromaticContact CD2-CG 3.76Å; F130-H161 AromaticContact CD2-NE2 3.35Å; F130-H161 VanDerWaalsContact CD2-NE2 3.35Å; F130-H161 WeakPolarHBondContact CD2-NE2 3.48Å; F130-H161 AromaticContact CE1-CD2 3.88Å; F130-H161 AromaticContact CE2-CD2 3.33Å; F130-H161 WeakPolarHBondContact CE2-CD2 3.41Å; F130-H161 AromaticContact CE2-NE2 3.45Å; F130-H161 WeakPolarHBondContact CE2-NE2 3.43Å; F130-H161 HydrophobicContact CG-CB 3.85Å; F130-H161 AromaticContact CG-CD2 3.39Å; F130-H161 WeakPolarHBondContact CG-CD2 3.42Å; F130-H161 AromaticContact CG-CG 3.6Å; F130-H161 AromaticContact CZ-CD2 3.68Å; L157-H161 WeakPolarHBondContact O-CB 3.29Å; L157-H161 PolarHBondContact O-CD2 3.23Å; L157-H161 VanDerWaalsContact O-CD2 3.27Å; L157-H161 PolarHBondContact O-N 2.94Å; T158-H161 PolarHBondContact O-N 3.4Å; R159-H161 PolarHBondContact O-N 3.42Å; H161-K164 PolarHBondContact O-N 2.85Å; H161-G165 PolarHBondContact O-N 3.32Å; H161-H166 HydrophobicContact CB-CB 4.3Å; H161-H166 AromaticContact CE1-CE1 4Å; H161-H166 AromaticContact CE1-ND1 3.83Å; H161-H166 AromaticContact CG-ND1 3.85Å; H161-H166 AromaticContact ND1-CE1 3.42Å; H161-H166 PolarHBondContact ND1-CE1 3.44Å; H161-H166 AromaticContact ND1-ND1 2.97Å; H161-H166 PolarHBondContact ND1-ND1 3.2Å; H161-H166 WeakPolarHBondContact O-CB 3.29Å; H161-H166 PolarHBondContact O-N 3.2Å; H161-T168 HydrophobicContact CB-CG2 3.81Å
162	R	95.5	Very high	95.7	Very high	22 Å²	22	14.3 Å²	14.3	8%	0.083	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-46.9	175.5	-171.6	-178	-58.6	130.4	-1.4	111.1	F111 T158 R159 W160 K164 G165 T168 S230 C894	F111-R162 PolarHBondContact O-NE 3.16Å; T158-R162 WeakPolarHBondContact O-CB 3.14Å; T158-R162 PolarHBondContact O-N 2.9Å; R159-R162 WeakPolarHBondContact O-CB 3.5Å; R159-R162 PolarHBondContact O-N 3.42Å; W160-R162 VanDerWaalsContact C-N 3.33Å; W160-R162 PolarHBondContact O-N 2.91Å; R162-K164 PolarHBondContact O-N 2.99Å; R162-G165 PolarHBondContact O-N 3.24Å; R162-T168 HydrophobicContact CB-CG2 3.8Å; R162-T168 VanDerWaalsContact N-CG2 3.32Å; R162-T168 PolarHBondContact NE-OG1 3.08Å; R162-T168 VanDerWaalsContact NE-OG1 3.12Å; R162-S230 PolarHBondContact NH1-OG 2.58Å; R162-S230 PolarHBondContact NH2-O 3.24Å; R162-S230 PolarHBondContact NH2-OG 2.95Å; R162-S230 VanDerWaalsContact NH2-OG 3.08Å; R162-C894 WeakPolarHBondContact CD-O 3.35Å; R162-C894 PolarHBondContact NH1-SG 3.17Å
163	M	95.7	Very high	95.6	Very high	7 Å²	7	14.3 Å²	14.3	3%	0.034	8%	0.083	C	C	.	.	H	α-helix	trans	-68.6	-23.3	177.4	-65.1	177.5	75.3	0	0	112.4	R159 W160 G165 R865 P869 A896 A897 Y898	R159-M163 WeakPolarHBondContact O-CB 3.38Å; R159-M163 WeakPolarHBondContact O-CG 3.38Å; R159-M163 PolarHBondContact O-N 3.31Å; W160-M163 PolarHBondContact O-N 2.84Å; M163-G165 PolarHBondContact O-N 3.01Å; M163-R865 HydrophobicContact CE-CB 4.11Å; M163-R865 HydrophobicContact CE-CG 4.47Å; M163-P869 HydrophobicContact SD-CG 4.11Å; M163-A896 WeakPolarHBondContact CA-O 3.27Å; M163-A896 VanDerWaalsContact CB-O 3.23Å; M163-A896 WeakPolarHBondContact CB-O 3.39Å; M163-A896 VanDerWaalsContact CG-O 3.27Å; M163-A896 WeakPolarHBondContact CG-O 3.14Å; M163-A897 CarbonylContact O-C 3.53Å; M163-A897 WeakPolarHBondContact O-CA 3.28Å; M163-Y898 HydrophobicContact CB-CD2 4.3Å; M163-Y898 HydrophobicContact CB-CG 4.46Å; M163-Y898 HydrophobicContact CE-CD2 3.96Å; M163-Y898 PolarHBondContact O-N 2.87Å; M163-Y898 HydrophobicContact SD-CD2 4.03Å
164	K	93.2	Very high	95.3	Very high	61 Å²	61	14.3 Å²	14.3	27%	0.265	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.7	169.4	-70.3	-68.3	-62.3	-166.6	0	113.6	W160 H161 R162 Y898 D900	W160-K164 HydrophobicContact CD2-CG 4.38Å; W160-K164 HydrophobicContact CZ2-CG 4.35Å; W160-K164 VanDerWaalsContact O-CG 3.3Å; W160-K164 WeakPolarHBondContact O-CG 3.4Å; W160-K164 PolarHBondContact O-N 3.25Å; H161-K164 PolarHBondContact O-N 2.85Å; R162-K164 PolarHBondContact O-N 2.99Å; K164-Y898 HydrophobicContact CD-CD1 4.45Å; K164-D900 IonicContact NZ-OD2 3.73Å; K164-D900 PolarHBondContact NZ-OD2 3.09Å
165	G	90.4	Very high	95.1	Very high	65 Å²	65	14.4 Å²	14.4	67%	0.67	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	88	9.8	177.6	0	0	0	0	0	114.5	H161 R162 M163	H161-G165 PolarHBondContact O-N 3.32Å; R162-G165 PolarHBondContact O-N 3.24Å; M163-G165 PolarHBondContact O-N 3.01Å
166	H	92	Very high	94.8	Very high	63 Å²	63	14.5 Å²	14.5	29%	0.292	8%	0.084	S	C	.	.			trans	-75.8	151.3	173	-60.7	-179.4	0	0	0	110.6	E128 H161 T168	E128-H166 CarbonylContact O-C 3.59Å; E128-H166 WeakPolarHBondContact O-CA 3.38Å; H161-H166 HydrophobicContact CB-CB 4.3Å; H161-H166 AromaticContact CE1-CE1 4Å; H161-H166 AromaticContact CE1-ND1 3.83Å; H161-H166 AromaticContact CG-ND1 3.85Å; H161-H166 AromaticContact ND1-CE1 3.42Å; H161-H166 PolarHBondContact ND1-CE1 3.44Å; H161-H166 AromaticContact ND1-ND1 2.97Å; H161-H166 PolarHBondContact ND1-ND1 3.2Å; H161-H166 WeakPolarHBondContact O-CB 3.29Å; H161-H166 PolarHBondContact O-N 3.2Å; H166-T168 HydrophobicContact CB-CG2 4.45Å; H166-T168 PolarHBondContact O-N 3.38Å
167	I	92.3	Very high	94.2	Very high	28 Å²	28	14.7 Å²	14.7	14%	0.144	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.4	169.5	-64.6	170.5	0	0	0	107.5	P114 L118 F124 E128 K129 F130	P114-I167 HydrophobicContact CB-CG2 3.64Å; L118-I167 HydrophobicContact CD1-CD1 4.41Å; L118-I167 HydrophobicContact CD2-CD1 4.42Å; F124-I167 HydrophobicContact CB-CD1 4.18Å; F124-I167 HydrophobicContact CD1-CD1 2.99Å; F124-I167 HydrophobicContact CD1-CG1 4.48Å; F124-I167 HydrophobicContact CD2-CD1 3.81Å; F124-I167 HydrophobicContact CD2-CG2 4.36Å; F124-I167 HydrophobicContact CE1-CD1 3.13Å; F124-I167 HydrophobicContact CE2-CD1 3.92Å; F124-I167 HydrophobicContact CE2-CG2 4.36Å; F124-I167 HydrophobicContact CG-CD1 3.36Å; F124-I167 HydrophobicContact CZ-CD1 3.63Å; E128-I167 PolarHBondContact O-N 2.91Å; K129-I167 CarbonylContact C-O 3.58Å; K129-I167 WeakPolarHBondContact CA-O 3.32Å; F130-I167 PolarHBondContact N-O 3.13Å
168	T	94.8	Very high	93.6	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.031	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.1	-172.3	56.7	0	0	0	0	111.1	P114 F130 H161 R162 H166	P114-T168 WeakPolarHBondContact CB-O 3.45Å; F130-T168 HydrophobicContact CB-CG2 4.2Å; F130-T168 HydrophobicContact CD1-CG2 4.39Å; F130-T168 WeakPolarHBondContact O-CA 3.39Å; H161-T168 HydrophobicContact CB-CG2 3.81Å; R162-T168 HydrophobicContact CB-CG2 3.8Å; R162-T168 VanDerWaalsContact N-CG2 3.32Å; R162-T168 PolarHBondContact NE-OG1 3.08Å; R162-T168 VanDerWaalsContact NE-OG1 3.12Å; H166-T168 HydrophobicContact CB-CG2 4.45Å; H166-T168 PolarHBondContact O-N 3.38Å
169	L	95.4	Very high	92.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.1	167.6	175.9	59.9	0	0	0	108.8	P114 F130 V131 I132 D232 F608 F620	P114-L169 HydrophobicContact CG-CB 4.34Å; P114-L169 HydrophobicContact CG-CD1 4.25Å; F130-L169 PolarHBondContact O-N 2.85Å; V131-L169 WeakPolarHBondContact CA-O 3.35Å; V131-L169 HydrophobicContact CG1-CB 4.4Å; V131-L169 HydrophobicContact CG1-CD2 4.47Å; V131-L169 HydrophobicContact CG2-CB 4.4Å; I132-L169 PolarHBondContact N-O 3.47Å; L169-D232 HydrophobicContact CD1-CB 3.95Å; L169-F608 HydrophobicContact CD2-CE1 3.64Å; L169-F608 HydrophobicContact CD2-CZ 4.24Å; L169-F620 HydrophobicContact CB-CD1 4.23Å; L169-F620 HydrophobicContact CB-CE1 4.36Å; L169-F620 HydrophobicContact CD2-CB 3.9Å; L169-F620 HydrophobicContact CD2-CD1 3.73Å; L169-F620 HydrophobicContact CD2-CD2 3.6Å; L169-F620 HydrophobicContact CD2-CE1 4.13Å; L169-F620 HydrophobicContact CD2-CE2 4.01Å; L169-F620 HydrophobicContact CD2-CG 3.45Å; L169-F620 VanDerWaalsContact CD2-CG 3.45Å; L169-F620 HydrophobicContact CD2-CZ 4.26Å
170	W	97.1	Very high	91.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	104.3	167.7	-175.7	23.3	0	0	0	109	I132 I134 N151 E154 D155 T158 P172 L231 D232	I132-W170 HydrophobicContact CG2-CB 3.78Å; I132-W170 HydrophobicContact CG2-CG 3.73Å; I132-W170 WeakPolarHBondContact O-CA 3.43Å; I134-W170 HydrophobicContact CD1-CZ2 4.48Å; N151-W170 WeakPolarHBondContact ND2-CH2 3.28Å; N151-W170 VanDerWaalsContact ND2-CZ2 3.33Å; N151-W170 WeakPolarHBondContact ND2-CZ2 3.48Å; N151-W170 WeakPolarHBondContact O-CH2 3.38Å; E154-W170 HydrophobicContact CB-CD2 4.46Å; E154-W170 HydrophobicContact CB-CH2 3.96Å; E154-W170 HydrophobicContact CB-CZ2 3.3Å; E154-W170 HydrophobicContact CG-CZ2 4.21Å; E154-W170 VanDerWaalsContact OE2-CZ2 3.29Å; E154-W170 WeakPolarHBondContact OE2-CZ2 3.48Å; D155-W170 HydrophobicContact CB-CE3 4.33Å; D155-W170 HydrophobicContact CB-CH2 3.58Å; D155-W170 HydrophobicContact CB-CZ3 3.35Å; D155-W170 WeakPolarHBondContact OD1-CZ3 3.28Å; T158-W170 HydrophobicContact CG2-CB 3.88Å; W170-P172 WeakPolarHBondContact O-CD 3.42Å; W170-L231 HydrophobicContact CB-CD2 4.32Å; W170-L231 HydrophobicContact CD2-CD2 3.31Å; W170-L231 HydrophobicContact CD2-CG 3.97Å; W170-L231 VanDerWaalsContact CE2-CD2 3.46Å; W170-L231 HydrophobicContact CE3-CD2 3.72Å; W170-L231 HydrophobicContact CE3-CG 3.82Å; W170-L231 HydrophobicContact CG-CD2 3.56Å; W170-L231 HydrophobicContact CH2-CD2 4.39Å; W170-L231 HydrophobicContact CH2-CG 4.33Å; W170-L231 HydrophobicContact CZ2-CD2 4.02Å; W170-L231 HydrophobicContact CZ2-CG 4.42Å; W170-L231 HydrophobicContact CZ3-CD2 4.22Å; W170-L231 HydrophobicContact CZ3-CG 3.99Å; W170-D232 PolarHBondContact O-N 2.92Å
171	N	95.8	Very high	91	Very high	2 Å²	2	15 Å²	15	1%	0.011	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122	-169.4	-157	84.5	0	0	0	111.6	I132 V133 I134 R235 I607	I132-N171 PolarHBondContact O-N 2.87Å; V133-N171 HydrophobicContact CG1-CB 4.48Å; I134-N171 WeakPolarHBondContact CG2-O 3.26Å; I134-N171 PolarHBondContact N-O 3.28Å; I134-N171 VanDerWaalsContact N-O 3.1Å; N171-R235 PolarHBondContact ND2-O 3.08Å; N171-R235 WeakPolarHBondContact OD1-CB 3.38Å; N171-R235 PolarHBondContact OD1-O 2.83Å; N171-I607 HydrophobicContact CB-CD1 3.93Å
172	P	95.6	Very high	90.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.			trans	-77.7	159.9	176	24.9	-24.8	0	0	0	112.8	W170 L231 D232 W233 A236 C237	W170-P172 WeakPolarHBondContact O-CD 3.42Å; P172-L231 HydrophobicContact CB-CB 4.15Å; P172-L231 HydrophobicContact CB-CD1 4.16Å; P172-L231 HydrophobicContact CB-CD2 3.94Å; P172-L231 HydrophobicContact CB-CG 4.31Å; P172-L231 HydrophobicContact CG-CB 4.08Å; P172-L231 HydrophobicContact CG-CD2 4.42Å; P172-D232 WeakPolarHBondContact CD-O 3.21Å; P172-D232 WeakPolarHBondContact CG-O 3.47Å; P172-W233 HydrophobicContact CB-CE3 4.09Å; P172-W233 HydrophobicContact CB-CZ3 3.9Å; P172-W233 HydrophobicContact CG-CE3 4Å; P172-W233 HydrophobicContact CG-CZ3 4.33Å; P172-A236 HydrophobicContact CB-CB 4.39Å; P172-A236 HydrophobicContact CG-CB 3.91Å; P172-C237 PolarHBondContact O-N 3.46Å
173	G	93.1	Very high	89.7	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	178.2	166	0	0	0	0	0	113.9	I134 P137 C237	I134-G173 VanDerWaalsContact CG2-N 3.33Å; P137-G173 WeakPolarHBondContact CD-O 3.48Å; G173-C237 CarbonylContact C-O 3.58Å; G173-C237 WeakPolarHBondContact CA-O 3.35Å
174	C	92.3	Very high	88.9	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.5	175.9	-80.5	0	0	0	0	111	V139 Y221 C237 F238 T239	V139-C174 HydrophobicContact CG2-CB 3.84Å; C174-Y221 HydrophobicContact CB-CE1 4.4Å; C174-Y221 WeakPolarHBondContact SG-CE1 3.19Å; C174-C237 PolarHBondContact N-O 3.46Å; C174-F238 HydrophobicContact CB-CD2 4.06Å; C174-F238 WeakPolarHBondContact O-CA 3.45Å; C174-F238 WeakPolarHBondContact O-CD2 3.19Å; C174-T239 PolarHBondContact O-N 3.49Å; C174-T239 VanDerWaalsContact O-N 3.15Å
175	D	92	Very high	88.4	Confident	4 Å²	4	11.3 Å²	11.3	2%	0.021	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-105.1	130.7	177.9	-163.4	-0.4	0	0	0	112.1	P136 P137 V139 A177 T239 T596 S600	P136-D175 HydrophobicContact CB-CB 4.12Å; P136-D175 HydrophobicContact CG-CB 4.14Å; P137-D175 PolarHBondContact O-N 3.41Å; V139-D175 WeakPolarHBondContact CG2-O 3.38Å; V139-D175 PolarHBondContact N-O 3.45Å; D175-A177 PolarHBondContact O-N 3Å; D175-A177 VanDerWaalsContact O-N 3.17Å; D175-A177 PolarHBondContact OD1-N 3.36Å; D175-T239 WeakPolarHBondContact CA-OG1 3.42Å; D175-T239 HydrophobicContact CB-CG2 4.35Å; D175-T239 PolarHBondContact OD1-OG1 3.26Å; D175-T596 VanDerWaalsContact OD2-CG2 3.27Å; D175-T596 WeakPolarHBondContact OD2-CG2 3.41Å; D175-S600 PolarHBondContact OD2-OG 2.91Å
176	H	91.4	Very high	88.1	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.053	C	C	.	.			trans	-57.3	-25.3	174.1	80.2	-70.6	0	0	0	112.9	G178 T181 F238 T239 M240 W536 T596 S599	H176-G178 PolarHBondContact CD2-N 3.47Å; H176-G178 PolarHBondContact NE2-N 3.28Å; H176-G178 PolarHBondContact O-N 3.08Å; H176-T181 VanDerWaalsContact O-CB 3.23Å; H176-T181 WeakPolarHBondContact O-CB 3.45Å; H176-T181 PolarHBondContact O-OG1 3.22Å; H176-F238 HydrophobicContact CB-CE1 4.4Å; H176-F238 HydrophobicContact CB-CE2 3.78Å; H176-F238 HydrophobicContact CB-CZ 3.47Å; H176-F238 VanDerWaalsContact CB-CZ 3.47Å; H176-T239 PolarHBondContact N-OG1 2.85Å; H176-T239 PolarHBondContact ND1-OG1 3Å; H176-M240 HydrophobicContact CB-CG 3.82Å; H176-M240 HydrophobicContact CB-SD 3.71Å; H176-W536 HydrophobicContact CB-CZ2 4.09Å; H176-W536 AromaticContact CD2-CD1 3.93Å; H176-W536 AromaticContact CD2-NE1 3.7Å; H176-W536 PolarHBondContact O-NE1 3.38Å; H176-T596 PolarHBondContact NE2-OG1 3.45Å; H176-S599 PolarHBondContact CE1-OG 2.98Å; H176-S599 VanDerWaalsContact CE1-OG 3.25Å
177	A	85.6	Confident	87.3	Confident	4 Å²	4	9 Å²	9	3%	0.033	5%	0.049	C	C	.	.			trans	56.4	20.2	173.5	0	0	0	0	0	115.6	N138 T140 D175 I179 A180 T181	N138-A177 HydrophobicContact CB-CB 3.66Å; N138-A177 WeakPolarHBondContact OD1-CB 3.29Å; T140-A177 HydrophobicContact CG2-CB 4.26Å; D175-A177 PolarHBondContact O-N 3Å; D175-A177 VanDerWaalsContact O-N 3.17Å; D175-A177 PolarHBondContact OD1-N 3.36Å; A177-I179 PolarHBondContact O-N 3.08Å; A177-A180 HydrophobicContact CB-CB 4.12Å; A177-A180 WeakPolarHBondContact O-CA 3.17Å; A177-A180 WeakPolarHBondContact O-CB 3.2Å; A177-A180 PolarHBondContact O-N 2.63Å; A177-T181 PolarHBondContact O-N 3.3Å
178	G	84.7	Confident	86.8	Confident	1 Å²	1	9.1 Å²	9.1	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	31.5	-107.1	174.2	0	0	0	0	0	114.5	H176 A180 T181 Q182 T596	H176-G178 PolarHBondContact CD2-N 3.47Å; H176-G178 PolarHBondContact NE2-N 3.28Å; H176-G178 PolarHBondContact O-N 3.08Å; G178-A180 VanDerWaalsContact C-N 3.31Å; G178-A180 PolarHBondContact O-N 3.12Å; G178-T181 PolarHBondContact O-N 3.14Å; G178-Q182 WeakPolarHBondContact O-CB 3.42Å; G178-Q182 PolarHBondContact O-N 2.57Å; G178-T596 VanDerWaalsContact CA-OG1 3.29Å; G178-T596 WeakPolarHBondContact CA-OG1 3.42Å; G178-T596 PolarHBondContact N-OG1 3.18Å
179	I	78.3	Confident	86.2	Confident	9 Å²	9	9 Å²	9	5%	0.046	5%	0.048	C	C	.	.	H	α-helix	trans	-57.2	-36.1	-179.5	175.8	159.6	0	0	0	113.9	A177 V183 L274 L534	A177-I179 PolarHBondContact O-N 3.08Å; I179-V183 HydrophobicContact CG1-CG2 4.31Å; I179-V183 WeakPolarHBondContact O-CB 3.32Å; I179-V183 WeakPolarHBondContact O-CG2 3.41Å; I179-V183 PolarHBondContact O-N 3.26Å; I179-L274 HydrophobicContact CD1-CD1 4Å; I179-L534 HydrophobicContact CB-CD1 3.61Å; I179-L534 HydrophobicContact CB-CD2 4.05Å; I179-L534 HydrophobicContact CB-CG 4.48Å; I179-L534 HydrophobicContact CD1-CD2 4.32Å; I179-L534 HydrophobicContact CG1-CD2 4.25Å; I179-L534 HydrophobicContact CG2-CD1 4.3Å
180	A	77.2	Confident	85.4	Confident	15 Å²	15	11.6 Å²	11.6	12%	0.124	6%	0.057	C	C	.	.	H	α-helix	trans	-67	-45.6	179.9	0	0	0	0	0	111.6	T140 A177 G178 V184	T140-A180 HydrophobicContact CG2-CB 3.78Å; A177-A180 HydrophobicContact CB-CB 4.12Å; A177-A180 WeakPolarHBondContact O-CA 3.17Å; A177-A180 WeakPolarHBondContact O-CB 3.2Å; A177-A180 PolarHBondContact O-N 2.63Å; G178-A180 VanDerWaalsContact C-N 3.31Å; G178-A180 PolarHBondContact O-N 3.12Å; A180-V184 WeakPolarHBondContact O-CG2 3.5Å; A180-V184 PolarHBondContact O-N 3.39Å
181	T	83.6	Confident	84.3	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.012	8%	0.08	C	C	.	.	H	α-helix	trans	-67.6	-45.7	177.5	-60.1	0	0	0	0	111	H176 A177 G178 V183 V184 V185 V209	H176-T181 VanDerWaalsContact O-CB 3.23Å; H176-T181 WeakPolarHBondContact O-CB 3.45Å; H176-T181 PolarHBondContact O-OG1 3.22Å; A177-T181 PolarHBondContact O-N 3.3Å; G178-T181 PolarHBondContact O-N 3.14Å; T181-V183 VanDerWaalsContact C-N 3.31Å; T181-V183 PolarHBondContact O-N 2.96Å; T181-V184 PolarHBondContact O-N 2.73Å; T181-V184 VanDerWaalsContact O-N 3.1Å; T181-V185 HydrophobicContact CG2-CG2 4.37Å; T181-V185 WeakPolarHBondContact O-CG2 3.48Å; T181-V185 PolarHBondContact O-N 2.93Å; T181-V209 HydrophobicContact CG2-CG1 3.94Å
182	Q	85.6	Confident	83.7	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-54.9	-46.9	177.7	169.2	150.5	0.1	0	0	111.5	G178 V184 V185 E186 F205 W536	G178-Q182 WeakPolarHBondContact O-CB 3.42Å; G178-Q182 PolarHBondContact O-N 2.57Å; Q182-V184 PolarHBondContact O-N 3.42Å; Q182-V185 PolarHBondContact O-N 3.06Å; Q182-E186 HydrophobicContact CG-CG 4.49Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.31Å; Q182-E186 PolarHBondContact NE2-OE1 2.96Å; Q182-E186 WeakPolarHBondContact O-CG 3.44Å; Q182-E186 PolarHBondContact O-N 3.04Å; Q182-F205 HydrophobicContact CG-CE1 4Å; Q182-F205 HydrophobicContact CG-CZ 3.84Å; Q182-W536 HydrophobicContact CB-CB 4.2Å; Q182-W536 VanDerWaalsContact OE1-N 3.14Å
183	V	77.7	Confident	83.2	Confident	12 Å²	12	27.5 Å²	27.5	7%	0.073	13%	0.127	C	C	.	.	H	α-helix	trans	-61.4	-41.4	177.2	164.7	0	0	0	0	112.6	I179 T181 V185 K187 L274 R474	I179-V183 HydrophobicContact CG1-CG2 4.31Å; I179-V183 WeakPolarHBondContact O-CB 3.32Å; I179-V183 WeakPolarHBondContact O-CG2 3.41Å; I179-V183 PolarHBondContact O-N 3.26Å; T181-V183 VanDerWaalsContact C-N 3.31Å; T181-V183 PolarHBondContact O-N 2.96Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V183-K187 PolarHBondContact O-N 2.9Å; V183-L274 HydrophobicContact CG2-CD2 4.39Å; V183-R474 HydrophobicContact CG2-CG 4.2Å
184	V	78.3	Confident	82.6	Confident	23 Å²	23	34 Å²	34	14%	0.139	16%	0.156	C	C	.	.	H	α-helix	trans	-65.7	-38.9	179.4	171.9	0	0	0	0	111.3	A180 T181 Q182 K187 K188 W212	A180-V184 WeakPolarHBondContact O-CG2 3.5Å; A180-V184 PolarHBondContact O-N 3.39Å; T181-V184 PolarHBondContact O-N 2.73Å; T181-V184 VanDerWaalsContact O-N 3.1Å; Q182-V184 PolarHBondContact O-N 3.42Å; V184-K187 WeakPolarHBondContact O-CB 3.33Å; V184-K188 PolarHBondContact O-N 3.34Å; V184-K188 VanDerWaalsContact O-N 3.11Å; V184-W212 HydrophobicContact CG1-CH2 3.64Å; V184-W212 HydrophobicContact CG1-CZ2 3.3Å; V184-W212 HydrophobicContact CG1-CZ3 4.43Å
185	V	84.1	Confident	82.1	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-70.8	-43.5	177.8	176.9	0	0	0	0	111.1	T181 Q182 V183 K187 K188 L189 F205 E208 V209 W212	T181-V185 HydrophobicContact CG2-CG2 4.37Å; T181-V185 WeakPolarHBondContact O-CG2 3.48Å; T181-V185 PolarHBondContact O-N 2.93Å; Q182-V185 PolarHBondContact O-N 3.06Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V185-K187 VanDerWaalsContact C-N 3.31Å; V185-K187 PolarHBondContact O-N 3.14Å; V185-K188 WeakPolarHBondContact O-CB 3.37Å; V185-K188 PolarHBondContact O-N 3.45Å; V185-K188 VanDerWaalsContact O-N 3.1Å; V185-L189 HydrophobicContact CG1-CD1 3.92Å; V185-L189 HydrophobicContact CG1-CG 4.3Å; V185-L189 WeakPolarHBondContact O-CG 3.3Å; V185-L189 PolarHBondContact O-N 3.39Å; V185-F205 HydrophobicContact CG1-CE2 4.09Å; V185-F205 HydrophobicContact CG1-CZ 4.39Å; V185-E208 HydrophobicContact CG1-CB 4.34Å; V185-V209 HydrophobicContact CB-CG2 4.16Å; V185-V209 HydrophobicContact CG1-CG2 3.92Å; V185-V209 HydrophobicContact CG2-CG2 4.19Å; V185-W212 HydrophobicContact CG2-CB 3.77Å; V185-W212 HydrophobicContact CG2-CD2 4.2Å; V185-W212 HydrophobicContact CG2-CG 3.7Å
186	E	83	Confident	81.4	Confident	34 Å²	34	41.4 Å²	41.4	16%	0.159	19%	0.186	C	C	.	.	H	α-helix	trans	-57.7	-43.1	175	-75.5	179.3	-149.5	0	0	111.8	Q182 K188 L189 W190 R197 F205	Q182-E186 HydrophobicContact CG-CG 4.49Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.31Å; Q182-E186 PolarHBondContact NE2-OE1 2.96Å; Q182-E186 WeakPolarHBondContact O-CG 3.44Å; Q182-E186 PolarHBondContact O-N 3.04Å; E186-K188 PolarHBondContact O-N 3.4Å; E186-L189 PolarHBondContact O-N 3.49Å; E186-W190 WeakPolarHBondContact O-CB 3.45Å; E186-W190 PolarHBondContact O-N 3.04Å; E186-R197 HydrophobicContact CG-CB 4.45Å; E186-R197 WeakPolarHBondContact OE1-CD 3.22Å; E186-R197 IonicContact OE1-NH1 3.72Å; E186-F205 HydrophobicContact CG-CE2 3.61Å; E186-F205 HydrophobicContact CG-CZ 3.77Å
187	K	75.7	Confident	80.9	Confident	46 Å²	46	42.3 Å²	42.3	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-47.7	172.3	-85.5	-167.5	173.4	171.7	0	113.3	V183 V184 V185 L189 W190 R191 S473 N700	V183-K187 PolarHBondContact O-N 2.9Å; V184-K187 WeakPolarHBondContact O-CB 3.33Å; V185-K187 VanDerWaalsContact C-N 3.31Å; V185-K187 PolarHBondContact O-N 3.14Å; K187-L189 VanDerWaalsContact C-N 3.33Å; K187-W190 PolarHBondContact O-N 3.47Å; K187-R191 WeakPolarHBondContact O-CB 3.37Å; K187-R191 PolarHBondContact O-N 3.36Å; K187-S473 WeakPolarHBondContact CE-OG 3.42Å; K187-S473 PolarHBondContact NZ-OG 3.11Å; K187-N700 HydrophobicContact CD-CB 3.91Å
188	K	80.7	Confident	80.8	Confident	30 Å²	30	46.3 Å²	46.3	13%	0.13	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-48	-179.2	178.7	-173.1	178.2	-176	0	109.6	V184 V185 E186 R191 Q192 W212 E215	V184-K188 PolarHBondContact O-N 3.34Å; V184-K188 VanDerWaalsContact O-N 3.11Å; V185-K188 WeakPolarHBondContact O-CB 3.37Å; V185-K188 PolarHBondContact O-N 3.45Å; V185-K188 VanDerWaalsContact O-N 3.1Å; E186-K188 PolarHBondContact O-N 3.4Å; K188-R191 PolarHBondContact O-N 3.34Å; K188-Q192 WeakPolarHBondContact O-CB 3.24Å; K188-Q192 WeakPolarHBondContact O-CG 3.41Å; K188-Q192 PolarHBondContact O-N 2.65Å; K188-W212 HydrophobicContact CD-CE3 3.71Å; K188-W212 HydrophobicContact CD-CZ3 3.8Å; K188-E215 IonicContact NZ-OE2 2.78Å
189	L	82.9	Confident	80.8	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-44.1	178.8	-70.1	170.6	0	0	0	111.8	V185 E186 K187 R191 Q192 M193 K194 L200 F205 E208	V185-L189 HydrophobicContact CG1-CD1 3.92Å; V185-L189 HydrophobicContact CG1-CG 4.3Å; V185-L189 WeakPolarHBondContact O-CG 3.3Å; V185-L189 PolarHBondContact O-N 3.39Å; E186-L189 PolarHBondContact O-N 3.49Å; K187-L189 VanDerWaalsContact C-N 3.33Å; L189-R191 PolarHBondContact O-N 2.94Å; L189-Q192 PolarHBondContact O-N 3.4Å; L189-M193 HydrophobicContact CD2-SD 4.31Å; L189-M193 WeakPolarHBondContact O-CA 3.42Å; L189-M193 WeakPolarHBondContact O-CB 3.42Å; L189-M193 PolarHBondContact O-N 2.95Å; L189-K194 PolarHBondContact O-N 3.36Å; L189-L200 HydrophobicContact CD1-CD1 3.77Å; L189-L200 HydrophobicContact CD2-CD1 4.34Å; L189-F205 HydrophobicContact CD1-CD2 3.8Å; L189-F205 HydrophobicContact CD1-CE2 3.83Å; L189-E208 HydrophobicContact CD2-CB 4.49Å; L189-E208 HydrophobicContact CD2-CG 4.14Å
190	W	77.9	Confident	81.2	Confident	55 Å²	55	53 Å²	53	21%	0.208	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-42.3	176.2	-173.6	-105.1	0	0	0	112.5	E186 K187 Q192 K194 T196 F470 L471	E186-W190 WeakPolarHBondContact O-CB 3.45Å; E186-W190 PolarHBondContact O-N 3.04Å; K187-W190 PolarHBondContact O-N 3.47Å; W190-Q192 PolarHBondContact O-N 3.39Å; W190-K194 HydrophobicContact CD2-CD 4.36Å; W190-K194 HydrophobicContact CZ2-CD 4.3Å; W190-K194 WeakPolarHBondContact CZ3-O 3.32Å; W190-K194 VanDerWaalsContact O-CA 3.27Å; W190-K194 WeakPolarHBondContact O-CA 3.02Å; W190-K194 WeakPolarHBondContact O-CD 3.04Å; W190-K194 PolarHBondContact O-N 2.98Å; W190-T196 HydrophobicContact CE3-CG2 4.15Å; W190-T196 HydrophobicContact CZ3-CG2 3.84Å; W190-F470 HydrophobicContact CH2-CB 4.42Å; W190-F470 HydrophobicContact CZ2-CB 4.42Å; W190-L471 VanDerWaalsContact CD1-CD2 3.46Å; W190-L471 HydrophobicContact CG-CD2 4.24Å
191	R	75.7	Confident	81.8	Confident	126 Å²	126	53.7 Å²	53.7	48%	0.475	25%	0.25	S	S	.	.	H	α-helix	trans	-63.8	-40.9	178.5	-173.2	176.9	71.3	174.6	2.9	112.1	K187 K188 L189 S698 G699	K187-R191 WeakPolarHBondContact O-CB 3.37Å; K187-R191 PolarHBondContact O-N 3.36Å; K188-R191 PolarHBondContact O-N 3.34Å; L189-R191 PolarHBondContact O-N 2.94Å; R191-S698 PolarHBondContact NH1-O 2.94Å; R191-G699 PolarHBondContact NH1-O 2.83Å; R191-G699 VanDerWaalsContact NH1-O 3.1Å
192	Q	82.3	Confident	82	Confident	111 Å²	111	56.9 Å²	56.9	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-88.6	-38.5	-173.2	-69.1	-179.1	-29.3	0	0	113.4	K188 L189 W190	K188-Q192 WeakPolarHBondContact O-CB 3.24Å; K188-Q192 WeakPolarHBondContact O-CG 3.41Å; K188-Q192 PolarHBondContact O-N 2.65Å; L189-Q192 PolarHBondContact O-N 3.4Å; W190-Q192 PolarHBondContact O-N 3.39Å
193	M	84.3	Confident	82.3	Confident	99 Å²	99	64 Å²	64	49%	0.488	30%	0.295	S	S	.	.	H	α-helix	trans	-123	-10.2	-169.8	-58.3	-176.4	-175.6	0	0	113.9	L189 R195	L189-M193 HydrophobicContact CD2-SD 4.31Å; L189-M193 WeakPolarHBondContact O-CA 3.42Å; L189-M193 WeakPolarHBondContact O-CB 3.42Å; L189-M193 PolarHBondContact O-N 2.95Å; M193-R195 HydrophobicContact CB-CB 4.41Å; M193-R195 HydrophobicContact CB-CG 4.38Å; M193-R195 PolarHBondContact O-N 3.5Å
194	K	81.8	Confident	83.1	Confident	137 Å²	137	65.3 Å²	65.3	60%	0.596	31%	0.308	S	S	*	.			trans	53.6	33.1	-173.2	-61.8	-73.8	176.1	-178.9	0	113.2	L189 W190	L189-K194 PolarHBondContact O-N 3.36Å; W190-K194 HydrophobicContact CD2-CD 4.36Å; W190-K194 HydrophobicContact CZ2-CD 4.3Å; W190-K194 WeakPolarHBondContact CZ3-O 3.32Å; W190-K194 VanDerWaalsContact O-CA 3.27Å; W190-K194 WeakPolarHBondContact O-CA 3.02Å; W190-K194 WeakPolarHBondContact O-CD 3.04Å; W190-K194 PolarHBondContact O-N 2.98Å
195	R	81.5	Confident	83.7	Confident	137 Å²	137	64.2 Å²	64.2	52%	0.517	30%	0.301	S	S	.	.			trans	-114.8	149.2	175.7	-68.9	-173.9	-178.4	-169	-0.4	110.8	M193 D199	M193-R195 HydrophobicContact CB-CB 4.41Å; M193-R195 HydrophobicContact CB-CG 4.38Å; M193-R195 PolarHBondContact O-N 3.5Å; R195-D199 HydrophobicContact CB-CB 4.34Å
196	T	78	Confident	84.1	Confident	22 Å²	22	66.1 Å²	66.1	14%	0.135	31%	0.311	C	S	.	.			trans	-97.7	168.6	177.5	74.1	0	0	0	0	110.8	W190 H198 D199 L200 F470	W190-T196 HydrophobicContact CE3-CG2 4.15Å; W190-T196 HydrophobicContact CZ3-CG2 3.84Å; T196-H198 PolarHBondContact O-N 2.66Å; T196-H198 PolarHBondContact OG1-N 2.82Å; T196-D199 WeakPolarHBondContact CB-OD2 3.46Å; T196-D199 WeakPolarHBondContact CG2-OD2 3.36Å; T196-D199 PolarHBondContact N-OD2 2.74Å; T196-D199 PolarHBondContact O-N 2.74Å; T196-D199 PolarHBondContact OG1-N 3.42Å; T196-D199 PolarHBondContact OG1-OD2 3.17Å; T196-L200 PolarHBondContact O-N 2.8Å; T196-F470 HydrophobicContact CG2-CD1 3.67Å; T196-F470 HydrophobicContact CG2-CE1 3.24Å; T196-F470 HydrophobicContact CG2-CZ 4.01Å
197	R	80.8	Confident	84.6	Confident	19 Å²	19	71.3 Å²	71.3	7%	0.072	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-35.6	172	73.3	178.5	176.8	-167.2	3	111.8	E186 L200 G201 F205 L274 W535	E186-R197 HydrophobicContact CG-CB 4.45Å; E186-R197 WeakPolarHBondContact OE1-CD 3.22Å; E186-R197 IonicContact OE1-NH1 3.72Å; R197-L200 PolarHBondContact O-N 3.16Å; R197-G201 PolarHBondContact O-N 3.01Å; R197-F205 HydrophobicContact CB-CD2 3.69Å; R197-F205 HydrophobicContact CB-CE2 3.98Å; R197-F205 HydrophobicContact CB-CG 4Å; R197-L274 PolarHBondContact NH2-O 2.73Å; R197-L274 VanDerWaalsContact NH2-O 3.12Å; R197-W535 HydrophobicContact CB-CE3 4.05Å; R197-W535 HydrophobicContact CB-CH2 4.18Å; R197-W535 HydrophobicContact CB-CZ3 3.6Å; R197-W535 HydrophobicContact CG-CE3 4.24Å; R197-W535 HydrophobicContact CG-CH2 3.93Å; R197-W535 HydrophobicContact CG-CZ2 4.47Å; R197-W535 HydrophobicContact CG-CZ3 3.81Å; R197-W535 WeakPolarHBondContact O-CH2 3.09Å; R197-W535 WeakPolarHBondContact O-CZ3 3.48Å
198	H	82.8	Confident	85.4	Confident	89 Å²	89	71.7 Å²	71.7	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-71.6	-33.7	-177.8	-63.1	-68.3	0	0	0	111.8	T196 L200 W535	T196-H198 PolarHBondContact O-N 2.66Å; T196-H198 PolarHBondContact OG1-N 2.82Å; H198-L200 VanDerWaalsContact C-N 3.27Å; H198-L200 PolarHBondContact O-N 3.09Å; H198-W535 AromaticContact CE1-CZ2 3.93Å; H198-W535 AromaticContact ND1-CH2 3.9Å; H198-W535 AromaticContact ND1-CZ2 3.79Å
199	D	84.8	Confident	85.9	Confident	104 Å²	104	70.3 Å²	70.3	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-68.9	-26.7	175.5	-53.7	-41.2	0	0	0	112.6	R195 T196	R195-D199 HydrophobicContact CB-CB 4.34Å; T196-D199 WeakPolarHBondContact CB-OD2 3.46Å; T196-D199 WeakPolarHBondContact CG2-OD2 3.36Å; T196-D199 PolarHBondContact N-OD2 2.74Å; T196-D199 PolarHBondContact O-N 2.74Å; T196-D199 PolarHBondContact OG1-N 3.42Å; T196-D199 PolarHBondContact OG1-OD2 3.17Å
200	L	86	Confident	86.4	Confident	47 Å²	47	74.6 Å²	74.6	25%	0.246	35%	0.346	C	S	.	.	H	α-helix	trans	-88.2	-30.7	179.3	-69.7	168.3	0	0	0	112.8	L189 T196 R197 H198 A204	L189-L200 HydrophobicContact CD1-CD1 3.77Å; L189-L200 HydrophobicContact CD2-CD1 4.34Å; T196-L200 PolarHBondContact O-N 2.8Å; R197-L200 PolarHBondContact O-N 3.16Å; H198-L200 VanDerWaalsContact C-N 3.27Å; H198-L200 PolarHBondContact O-N 3.09Å; L200-A204 HydrophobicContact CB-CB 4.27Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å
201	G	89.9	Confident	87	Confident	28 Å²	28	77 Å²	77	29%	0.289	36%	0.357	S	S	.	.			trans	79.2	163.8	-167.4	0	0	0	0	0	113.1	R197 F205	R197-G201 PolarHBondContact O-N 3.01Å; G201-F205 WeakPolarHBondContact O-CB 3.19Å; G201-F205 PolarHBondContact O-N 3.33Å; G201-F205 VanDerWaalsContact O-N 3.09Å
202	R	89.2	Confident	87.7	Confident	70 Å²	70	72.2 Å²	72.2	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-50.5	-169.5	-171.5	176.2	-175.9	161.9	6.3	113	F205 L206 W535 E591	R202-F205 PolarHBondContact O-N 3.03Å; R202-L206 HydrophobicContact CG-CD1 4.05Å; R202-L206 VanDerWaalsContact O-CG 3.28Å; R202-L206 WeakPolarHBondContact O-CG 3.36Å; R202-L206 PolarHBondContact O-N 3.21Å; R202-W535 HydrophobicContact CB-CD2 4.26Å; R202-W535 HydrophobicContact CB-CE3 4.19Å; R202-W535 HydrophobicContact CB-CZ3 4.33Å; R202-W535 HydrophobicContact CG-CB 4.35Å; R202-W535 HydrophobicContact CG-CD2 4.04Å; R202-W535 HydrophobicContact CG-CE3 4.26Å; R202-W535 HydrophobicContact CG-CG 4.08Å; R202-E591 PolarHBondContact NH2-O 3.04Å
203	E	92	Very high	88	Confident	149 Å²	149	68.5 Å²	68.5	70%	0.696	32%	0.322	S	S	*	.	H	α-helix	trans	-64.3	-45.9	-176	-69.4	-165.9	169.2	0	0	113.1	F205 L206 K207	E203-F205 VanDerWaalsContact C-N 3.33Å; E203-F205 PolarHBondContact O-N 3.14Å; E203-L206 PolarHBondContact O-N 3.28Å; E203-K207 WeakPolarHBondContact O-CG 3.28Å; E203-K207 PolarHBondContact O-N 2.75Å; E203-K207 VanDerWaalsContact O-N 3.08Å
204	A	92.8	Very high	88.2	Confident	41 Å²	41	67.3 Å²	67.3	34%	0.339	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-39.9	-180	0	0	0	0	0	111.2	L200 K207 E208	L200-A204 HydrophobicContact CB-CB 4.27Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å; A204-K207 PolarHBondContact O-N 3.41Å; A204-E208 PolarHBondContact O-N 3.32Å
205	F	91.7	Very high	88.3	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-45.7	173.7	179.8	-100.3	0	0	0	112	Q182 V185 E186 L189 R197 G201 R202 E203 K207 E208 V209 W535	Q182-F205 HydrophobicContact CG-CE1 4Å; Q182-F205 HydrophobicContact CG-CZ 3.84Å; V185-F205 HydrophobicContact CG1-CE2 4.09Å; V185-F205 HydrophobicContact CG1-CZ 4.39Å; E186-F205 HydrophobicContact CG-CE2 3.61Å; E186-F205 HydrophobicContact CG-CZ 3.77Å; L189-F205 HydrophobicContact CD1-CD2 3.8Å; L189-F205 HydrophobicContact CD1-CE2 3.83Å; R197-F205 HydrophobicContact CB-CD2 3.69Å; R197-F205 HydrophobicContact CB-CE2 3.98Å; R197-F205 HydrophobicContact CB-CG 4Å; G201-F205 WeakPolarHBondContact O-CB 3.19Å; G201-F205 PolarHBondContact O-N 3.33Å; G201-F205 VanDerWaalsContact O-N 3.09Å; R202-F205 PolarHBondContact O-N 3.03Å; E203-F205 VanDerWaalsContact C-N 3.33Å; E203-F205 PolarHBondContact O-N 3.14Å; F205-K207 VanDerWaalsContact C-N 3.3Å; F205-K207 PolarHBondContact O-N 3.33Å; F205-E208 WeakPolarHBondContact O-CB 3.46Å; F205-E208 PolarHBondContact O-N 3.28Å; F205-E208 VanDerWaalsContact O-N 3.11Å; F205-V209 HydrophobicContact CD1-CG2 4.02Å; F205-V209 HydrophobicContact CE1-CG2 3.52Å; F205-V209 HydrophobicContact CE2-CG2 4.34Å; F205-V209 HydrophobicContact CZ-CG2 3.69Å; F205-V209 WeakPolarHBondContact O-CG2 3.33Å; F205-V209 PolarHBondContact O-N 3.44Å; F205-W535 HydrophobicContact CB-CE3 3.94Å; F205-W535 HydrophobicContact CB-CZ3 3.97Å; F205-W535 HydrophobicContact CD1-CB 4.35Å; F205-W535 AromaticContact CD1-CE3 3.69Å; F205-W535 HydrophobicContact CD1-CE3 3.69Å; F205-W535 HydrophobicContact CD1-CZ3 4.44Å; F205-W535 AromaticContact CG-CE3 3.95Å; F205-W535 HydrophobicContact CG-CE3 3.95Å; F205-W535 HydrophobicContact CG-CZ3 4.26Å
206	L	92.8	Very high	88.4	Confident	42 Å²	42	61.5 Å²	61.5	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-36.7	178.4	-72.5	173.6	0	0	0	112.8	R202 E203 E208 V209 W210 W535 W536	R202-L206 HydrophobicContact CG-CD1 4.05Å; R202-L206 VanDerWaalsContact O-CG 3.28Å; R202-L206 WeakPolarHBondContact O-CG 3.36Å; R202-L206 PolarHBondContact O-N 3.21Å; E203-L206 PolarHBondContact O-N 3.28Å; L206-E208 VanDerWaalsContact C-N 3.33Å; L206-E208 PolarHBondContact O-N 3.12Å; L206-V209 PolarHBondContact O-N 3.15Å; L206-W210 VanDerWaalsContact O-CD1 3.29Å; L206-W210 PolarHBondContact O-N 2.8Å; L206-W535 WeakPolarHBondContact CD2-O 3.26Å; L206-W536 HydrophobicContact CD2-CE3 3.73Å; L206-W536 HydrophobicContact CD2-CZ3 4.34Å
207	K	94	Very high	88.5	Confident	143 Å²	143	60.7 Å²	60.7	62%	0.622	29%	0.293	S	S	*	.	H	α-helix	trans	-60.7	-41.5	173.8	-72.4	174.8	-177.2	173.3	0	111.9	E203 A204 F205 W210 K211	E203-K207 WeakPolarHBondContact O-CG 3.28Å; E203-K207 PolarHBondContact O-N 2.75Å; E203-K207 VanDerWaalsContact O-N 3.08Å; A204-K207 PolarHBondContact O-N 3.41Å; F205-K207 VanDerWaalsContact C-N 3.3Å; F205-K207 PolarHBondContact O-N 3.33Å; K207-W210 PolarHBondContact O-N 2.79Å; K207-K211 PolarHBondContact O-N 2.71Å
208	E	91.9	Very high	88.7	Confident	54 Å²	54	65.4 Å²	65.4	25%	0.252	32%	0.316	S	S	.	.	H	α-helix	trans	-67.1	-35.7	175.7	-71.9	-61.9	135.7	0	0	112.6	V185 L189 A204 F205 L206 K211 W212	V185-E208 HydrophobicContact CG1-CB 4.34Å; L189-E208 HydrophobicContact CD2-CB 4.49Å; L189-E208 HydrophobicContact CD2-CG 4.14Å; A204-E208 PolarHBondContact O-N 3.32Å; F205-E208 WeakPolarHBondContact O-CB 3.46Å; F205-E208 PolarHBondContact O-N 3.28Å; F205-E208 VanDerWaalsContact O-N 3.11Å; L206-E208 VanDerWaalsContact C-N 3.33Å; L206-E208 PolarHBondContact O-N 3.12Å; E208-K211 PolarHBondContact O-N 3.21Å; E208-W212 PolarHBondContact O-N 3.22Å
209	V	91.3	Very high	89	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-43.5	174.7	-179.1	0	0	0	0	111.4	T181 V185 F205 L206 K211 W212 K213 W536	T181-V209 HydrophobicContact CG2-CG1 3.94Å; V185-V209 HydrophobicContact CB-CG2 4.16Å; V185-V209 HydrophobicContact CG1-CG2 3.92Å; V185-V209 HydrophobicContact CG2-CG2 4.19Å; F205-V209 HydrophobicContact CD1-CG2 4.02Å; F205-V209 HydrophobicContact CE1-CG2 3.52Å; F205-V209 HydrophobicContact CE2-CG2 4.34Å; F205-V209 HydrophobicContact CZ-CG2 3.69Å; F205-V209 WeakPolarHBondContact O-CG2 3.33Å; F205-V209 PolarHBondContact O-N 3.44Å; L206-V209 PolarHBondContact O-N 3.15Å; V209-K211 PolarHBondContact O-N 3Å; V209-W212 WeakPolarHBondContact O-CB 3.27Å; V209-W212 PolarHBondContact O-N 3.33Å; V209-K213 PolarHBondContact O-N 3.38Å; V209-W536 HydrophobicContact CB-CD2 4.4Å; V209-W536 HydrophobicContact CB-CE3 4.23Å; V209-W536 HydrophobicContact CG1-CD2 3.43Å; V209-W536 VanDerWaalsContact CG1-CD2 3.43Å; V209-W536 HydrophobicContact CG1-CE3 3.68Å; V209-W536 HydrophobicContact CG1-CG 3.82Å; V209-W536 HydrophobicContact CG1-CH2 4.19Å; V209-W536 HydrophobicContact CG1-CZ2 3.95Å; V209-W536 HydrophobicContact CG1-CZ3 4.06Å
210	W	92.5	Very high	89.3	Confident	93 Å²	93	60.2 Å²	60.2	35%	0.352	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-40.3	174.5	-84.7	111.4	0	0	0	112.6	L206 K207 W212 K213 N214 F238 M240 W536	L206-W210 VanDerWaalsContact O-CD1 3.29Å; L206-W210 PolarHBondContact O-N 2.8Å; K207-W210 PolarHBondContact O-N 2.79Å; W210-W212 VanDerWaalsContact C-N 3.35Å; W210-W212 PolarHBondContact O-N 3.28Å; W210-K213 HydrophobicContact CE3-CD 4.19Å; W210-K213 HydrophobicContact CZ3-CD 4.12Å; W210-K213 WeakPolarHBondContact O-CB 3.34Å; W210-K213 PolarHBondContact O-N 3.26Å; W210-N214 PolarHBondContact O-N 3.32Å; W210-N214 PolarHBondContact O-ND2 2.94Å; W210-F238 HydrophobicContact CH2-CD1 4.28Å; W210-F238 AromaticContact CH2-CE1 3.78Å; W210-F238 HydrophobicContact CH2-CE1 3.78Å; W210-F238 HydrophobicContact CZ3-CD1 4.24Å; W210-F238 AromaticContact CZ3-CE1 3.76Å; W210-F238 HydrophobicContact CZ3-CE1 3.76Å; W210-M240 HydrophobicContact CH2-CB 4.39Å; W210-M240 HydrophobicContact CZ2-CE 4.49Å; W210-W536 AromaticContact CD1-CZ3 3.85Å; W210-W536 AromaticContact CD2-CH2 3.75Å; W210-W536 HydrophobicContact CD2-CH2 3.75Å; W210-W536 HydrophobicContact CD2-CZ3 4.19Å; W210-W536 AromaticContact CE2-CH2 3.48Å; W210-W536 VanDerWaalsContact CE2-CH2 3.48Å; W210-W536 AromaticContact CE2-CZ3 3.69Å; W210-W536 HydrophobicContact CE3-CH2 4.21Å; W210-W536 HydrophobicContact CG-CH2 4.2Å; W210-W536 HydrophobicContact CG-CZ3 4.28Å; W210-W536 HydrophobicContact CH2-CH2 4.19Å; W210-W536 AromaticContact CZ2-CH2 3.72Å; W210-W536 HydrophobicContact CZ2-CH2 3.72Å; W210-W536 HydrophobicContact CZ2-CZ3 4.15Å; W210-W536 HydrophobicContact CZ3-CH2 4.41Å; W210-W536 AromaticContact NE1-CH2 3.78Å; W210-W536 AromaticContact NE1-CZ3 3.47Å
211	K	91.2	Very high	89.6	Confident	105 Å²	105	59.8 Å²	59.8	46%	0.457	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-46.4	174.2	-176.7	179	178	-179.3	0	111.4	K207 E208 V209 K213 N214 E215	K207-K211 PolarHBondContact O-N 2.71Å; E208-K211 PolarHBondContact O-N 3.21Å; V209-K211 PolarHBondContact O-N 3Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 2.81Å; K211-N214 PolarHBondContact O-N 3.35Å; K211-E215 WeakPolarHBondContact CE-OE1 3.38Å; K211-E215 WeakPolarHBondContact O-CG 3.3Å; K211-E215 PolarHBondContact O-N 3.41Å; K211-E215 VanDerWaalsContact O-N 3.07Å
212	W	89.2	Confident	89.7	Confident	26 Å²	26	62.8 Å²	62.8	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-44	173.9	173.7	-87.7	0	0	0	112.2	V139 V184 V185 K188 E208 V209 W210 N214 E215 K216	V139-W212 PolarHBondContact O-NE1 3.15Å; V184-W212 HydrophobicContact CG1-CH2 3.64Å; V184-W212 HydrophobicContact CG1-CZ2 3.3Å; V184-W212 HydrophobicContact CG1-CZ3 4.43Å; V185-W212 HydrophobicContact CG2-CB 3.77Å; V185-W212 HydrophobicContact CG2-CD2 4.2Å; V185-W212 HydrophobicContact CG2-CG 3.7Å; K188-W212 HydrophobicContact CD-CE3 3.71Å; K188-W212 HydrophobicContact CD-CZ3 3.8Å; E208-W212 PolarHBondContact O-N 3.22Å; V209-W212 WeakPolarHBondContact O-CB 3.27Å; V209-W212 PolarHBondContact O-N 3.33Å; W210-W212 VanDerWaalsContact C-N 3.35Å; W210-W212 PolarHBondContact O-N 3.28Å; W212-N214 VanDerWaalsContact C-N 3.33Å; W212-N214 PolarHBondContact O-N 3.36Å; W212-E215 PolarHBondContact O-N 3.28Å; W212-K216 HydrophobicContact CD2-CG 3.98Å; W212-K216 HydrophobicContact CE3-CG 4.42Å; W212-K216 HydrophobicContact CH2-CG 4.19Å; W212-K216 HydrophobicContact CZ2-CD 4.38Å; W212-K216 HydrophobicContact CZ2-CG 3.7Å; W212-K216 WeakPolarHBondContact O-CB 3.48Å; W212-K216 PolarHBondContact O-N 2.66Å
213	K	89.3	Confident	90	Very high	33 Å²	33	59.5 Å²	59.5	14%	0.143	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-45.5	177.9	-179.8	-89.1	177.9	174	0	111.6	V139 V209 W210 K211 G217 F238	V139-K213 HydrophobicContact CG1-CB 4.34Å; V139-K213 HydrophobicContact CG1-CG 4.21Å; V139-K213 HydrophobicContact CG2-CG 4.49Å; V209-K213 PolarHBondContact O-N 3.38Å; W210-K213 HydrophobicContact CE3-CD 4.19Å; W210-K213 HydrophobicContact CZ3-CD 4.12Å; W210-K213 WeakPolarHBondContact O-CB 3.34Å; W210-K213 PolarHBondContact O-N 3.26Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 2.81Å; K213-G217 WeakPolarHBondContact O-CA 3.31Å; K213-G217 PolarHBondContact O-N 2.71Å; K213-F238 HydrophobicContact CD-CD1 4.48Å; K213-F238 HydrophobicContact CD-CE1 4.19Å; K213-F238 HydrophobicContact CD-CE2 4.48Å; K213-F238 HydrophobicContact CD-CZ 4.22Å; K213-F238 VanDerWaalsContact CE-CG 3.48Å; K213-F238 HydrophobicContact CG-CE1 4.13Å; K213-F238 HydrophobicContact CG-CE2 3.97Å; K213-F238 HydrophobicContact CG-CZ 3.69Å
214	N	88.7	Confident	90.1	Very high	75 Å²	75	52.5 Å²	52.5	40%	0.401	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-46.1	-179	-66.4	-17.8	0	0	0	110.6	W210 K211 W212 K216 H218	W210-N214 PolarHBondContact O-N 3.32Å; W210-N214 PolarHBondContact O-ND2 2.94Å; K211-N214 PolarHBondContact O-N 3.35Å; W212-N214 VanDerWaalsContact C-N 3.33Å; W212-N214 PolarHBondContact O-N 3.36Å; N214-K216 PolarHBondContact O-N 3.41Å; N214-H218 PolarHBondContact O-CD2 3.27Å; N214-H218 PolarHBondContact O-N 3.11Å
215	E	83.6	Confident	90.3	Very high	93 Å²	93	53 Å²	53	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-45.5	177.2	-71.5	172.1	-172.2	0	0	112.8	K188 K211 W212	K188-E215 IonicContact NZ-OE2 2.78Å; K211-E215 WeakPolarHBondContact CE-OE1 3.38Å; K211-E215 WeakPolarHBondContact O-CG 3.3Å; K211-E215 PolarHBondContact O-N 3.41Å; K211-E215 VanDerWaalsContact O-N 3.07Å; W212-E215 PolarHBondContact O-N 3.28Å
216	K	83.4	Confident	90.5	Very high	59 Å²	59	54.5 Å²	54.5	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-88.5	-31.8	-174.2	-65.3	-54.2	-175.4	-174.6	0	114.4	V139 W212 N214 Y219 I220	V139-K216 HydrophobicContact CG1-CB 3.83Å; W212-K216 HydrophobicContact CD2-CG 3.98Å; W212-K216 HydrophobicContact CE3-CG 4.42Å; W212-K216 HydrophobicContact CH2-CG 4.19Å; W212-K216 HydrophobicContact CZ2-CD 4.38Å; W212-K216 HydrophobicContact CZ2-CG 3.7Å; W212-K216 WeakPolarHBondContact O-CB 3.48Å; W212-K216 PolarHBondContact O-N 2.66Å; N214-K216 PolarHBondContact O-N 3.41Å; K216-Y219 PolarHBondContact O-N 2.9Å; K216-I220 WeakPolarHBondContact O-CG1 3.34Å; K216-I220 PolarHBondContact O-N 3.04Å
217	G	80.4	Confident	90.7	Very high	4 Å²	4	52.5 Å²	52.5	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-45	177.9	0	0	0	0	0	111.8	K213 Y219 I220 Y221	K213-G217 WeakPolarHBondContact O-CA 3.31Å; K213-G217 PolarHBondContact O-N 2.71Å; G217-Y219 PolarHBondContact O-N 3.32Å; G217-I220 PolarHBondContact O-N 3Å; G217-Y221 PolarHBondContact O-N 3.38Å; G217-Y221 VanDerWaalsContact O-N 3.15Å
218	H	84.2	Confident	90.8	Very high	118 Å²	118	45.7 Å²	45.7	55%	0.546	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-44.1	175.7	-69.6	-55.4	0	0	0	111.9	N214 I220 Y221 D222	N214-H218 PolarHBondContact O-CD2 3.27Å; N214-H218 PolarHBondContact O-N 3.11Å; H218-I220 VanDerWaalsContact C-N 3.32Å; H218-I220 PolarHBondContact O-N 2.54Å; H218-Y221 PolarHBondContact O-N 2.92Å; H218-Y221 VanDerWaalsContact O-N 3.11Å; H218-D222 VanDerWaalsContact O-CG 3.31Å; H218-D222 PolarHBondContact O-N 3.44Å
219	Y	89.1	Confident	91	Very high	83 Å²	83	43.1 Å²	43.1	33%	0.325	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-38.7	177.4	-172.3	-97.1	0	0	0	112.9	T142 K216 G217 Y221 D222 Q223 D679	T142-Y219 HydrophobicContact CG2-CD1 3.74Å; T142-Y219 HydrophobicContact CG2-CE1 3.29Å; K216-Y219 PolarHBondContact O-N 2.9Å; G217-Y219 PolarHBondContact O-N 3.32Å; Y219-Y221 VanDerWaalsContact C-N 3.33Å; Y219-Y221 PolarHBondContact O-N 3.44Å; Y219-D222 PolarHBondContact O-N 2.95Å; Y219-Q223 HydrophobicContact CD1-CG 4.03Å; Y219-Q223 HydrophobicContact CE1-CG 3.7Å; Y219-Q223 WeakPolarHBondContact O-CG 3.46Å; Y219-Q223 PolarHBondContact O-N 3.08Å; Y219-D679 PolarHBondContact OH-OD2 3.37Å
220	I	91.2	Very high	91.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-43.8	174.5	-73.4	167.2	0	0	0	110.6	P137 L143 K216 G217 H218 Q223 L224	P137-I220 HydrophobicContact CB-CG2 4.12Å; P137-I220 HydrophobicContact CG-CG2 3.54Å; L143-I220 HydrophobicContact CD1-CG2 4.29Å; L143-I220 HydrophobicContact CD2-CG1 4.35Å; L143-I220 HydrophobicContact CD2-CG2 3.97Å; L143-I220 HydrophobicContact CG-CG1 4.45Å; L143-I220 HydrophobicContact CG-CG2 4.19Å; K216-I220 WeakPolarHBondContact O-CG1 3.34Å; K216-I220 PolarHBondContact O-N 3.04Å; G217-I220 PolarHBondContact O-N 3Å; H218-I220 VanDerWaalsContact C-N 3.32Å; H218-I220 PolarHBondContact O-N 2.54Å; I220-Q223 WeakPolarHBondContact O-CB 3.48Å; I220-Q223 PolarHBondContact O-N 3.38Å; I220-L224 HydrophobicContact CG2-CD1 4.39Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 2.72Å
221	Y	93.1	Very high	91.5	Very high	38 Å²	38	38.7 Å²	38.7	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-41.2	175.8	-63	-22.2	0	0	0	111.8	C174 G217 H218 Y219 Q223 L224 K225 W233	C174-Y221 HydrophobicContact CB-CE1 4.4Å; C174-Y221 WeakPolarHBondContact SG-CE1 3.19Å; G217-Y221 PolarHBondContact O-N 3.38Å; G217-Y221 VanDerWaalsContact O-N 3.15Å; H218-Y221 PolarHBondContact O-N 2.92Å; H218-Y221 VanDerWaalsContact O-N 3.11Å; Y219-Y221 VanDerWaalsContact C-N 3.33Å; Y219-Y221 PolarHBondContact O-N 3.44Å; Y221-Q223 VanDerWaalsContact C-N 3.3Å; Y221-Q223 PolarHBondContact O-N 3.05Å; Y221-L224 HydrophobicContact CD1-CD1 4.38Å; Y221-L224 PolarHBondContact O-N 3.42Å; Y221-L224 VanDerWaalsContact O-N 3.16Å; Y221-K225 WeakPolarHBondContact O-CG 3.38Å; Y221-K225 PolarHBondContact O-N 3.22Å; Y221-W233 HydrophobicContact CD1-CH2 4.39Å; Y221-W233 AromaticContact CD1-CZ3 3.74Å; Y221-W233 HydrophobicContact CD1-CZ3 3.74Å; Y221-W233 HydrophobicContact CE1-CZ3 4.38Å; Y221-W233 AromaticContact CG-CZ3 3.81Å; Y221-W233 HydrophobicContact CG-CZ3 3.81Å
222	D	92.6	Very high	91.7	Very high	92 Å²	92	33.9 Å²	33.9	49%	0.492	16%	0.162	S	C	.	.	H	α-helix	trans	-61	-39.3	175.2	-63.6	-27.5	0	0	0	111.9	H218 Y219 K225 A226	H218-D222 VanDerWaalsContact O-CG 3.31Å; H218-D222 PolarHBondContact O-N 3.44Å; Y219-D222 PolarHBondContact O-N 2.95Å; D222-K225 PolarHBondContact O-N 2.98Å; D222-A226 WeakPolarHBondContact O-CB 3.32Å; D222-A226 PolarHBondContact O-N 3.23Å
223	Q	94.3	Very high	92	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-43.4	174	-70.7	-176.9	-78.1	0	0	112	L143 Y219 I220 Y221 A226 L227 D679 L681	L143-Q223 HydrophobicContact CD1-CB 3.86Å; L143-Q223 HydrophobicContact CG-CB 4.31Å; Y219-Q223 HydrophobicContact CD1-CG 4.03Å; Y219-Q223 HydrophobicContact CE1-CG 3.7Å; Y219-Q223 WeakPolarHBondContact O-CG 3.46Å; Y219-Q223 PolarHBondContact O-N 3.08Å; I220-Q223 WeakPolarHBondContact O-CB 3.48Å; I220-Q223 PolarHBondContact O-N 3.38Å; Y221-Q223 VanDerWaalsContact C-N 3.3Å; Y221-Q223 PolarHBondContact O-N 3.05Å; Q223-A226 PolarHBondContact O-N 2.74Å; Q223-L227 WeakPolarHBondContact O-CG 3.46Å; Q223-L227 PolarHBondContact O-N 3.05Å; Q223-D679 PolarHBondContact NE2-OD1 2.72Å; Q223-D679 PolarHBondContact NE2-OD2 3.18Å; Q223-L681 HydrophobicContact CG-CD1 3.82Å; Q223-L681 HydrophobicContact CG-CG 4.06Å
224	L	95.8	Very high	92.1	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-42.4	175.8	-65.8	174.1	0	0	0	111.3	I134 L143 N151 I220 Y221 A226 L227 G228 S229 L231 W233	I134-L224 HydrophobicContact CD1-CD1 4Å; I134-L224 HydrophobicContact CD1-CD2 4.26Å; L143-L224 HydrophobicContact CD1-CD2 3.64Å; L143-L224 HydrophobicContact CD1-CG 3.89Å; N151-L224 WeakPolarHBondContact ND2-CD2 3.45Å; I220-L224 HydrophobicContact CG2-CD1 4.39Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 2.72Å; Y221-L224 HydrophobicContact CD1-CD1 4.38Å; Y221-L224 PolarHBondContact O-N 3.42Å; Y221-L224 VanDerWaalsContact O-N 3.16Å; L224-A226 VanDerWaalsContact C-N 3.34Å; L224-A226 PolarHBondContact O-N 3.49Å; L224-L227 WeakPolarHBondContact O-CB 3.34Å; L224-L227 PolarHBondContact O-N 2.97Å; L224-G228 PolarHBondContact O-N 2.85Å; L224-S229 PolarHBondContact O-N 3.07Å; L224-S229 PolarHBondContact O-OG 3.05Å; L224-L231 HydrophobicContact CB-CD1 4.22Å; L224-L231 HydrophobicContact CD1-CD1 4.07Å; L224-W233 HydrophobicContact CB-CH2 3.86Å; L224-W233 HydrophobicContact CB-CZ2 4.36Å; L224-W233 HydrophobicContact CD1-CH2 4.19Å
225	K	95.7	Very high	92.4	Very high	52 Å²	52	36.3 Å²	36.3	23%	0.226	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-44.5	174.4	-68.6	-171.5	174.4	-152.4	0	111.7	Y103 E107 Y221 D222 L227 G228 W233	Y103-K225 HydrophobicContact CD1-CB 4.07Å; Y103-K225 HydrophobicContact CD1-CD 4.42Å; Y103-K225 HydrophobicContact CD1-CG 4.31Å; Y103-K225 VanDerWaalsContact CD2-O 3.24Å; Y103-K225 WeakPolarHBondContact CD2-O 3.24Å; Y103-K225 HydrophobicContact CE1-CB 3.59Å; Y103-K225 HydrophobicContact CE1-CD 3.75Å; Y103-K225 HydrophobicContact CE1-CG 3.44Å; Y103-K225 VanDerWaalsContact CE1-CG 3.44Å; Y103-K225 HydrophobicContact CE2-CB 4.42Å; Y103-K225 VanDerWaalsContact CE2-O 3.3Å; Y103-K225 WeakPolarHBondContact CE2-O 3.33Å; E107-K225 IonicContact OE1-NZ 3.38Å; E107-K225 PolarHBondContact OE1-NZ 3.23Å; E107-K225 IonicContact OE2-NZ 3.87Å; E107-K225 PolarHBondContact OE2-NZ 3.35Å; Y221-K225 WeakPolarHBondContact O-CG 3.38Å; Y221-K225 PolarHBondContact O-N 3.22Å; D222-K225 PolarHBondContact O-N 2.98Å; K225-L227 VanDerWaalsContact C-N 3.29Å; K225-L227 PolarHBondContact O-N 3.29Å; K225-G228 WeakPolarHBondContact O-CA 3.37Å; K225-G228 PolarHBondContact O-N 2.69Å; K225-W233 HydrophobicContact CD-CZ2 4.33Å; K225-W233 VanDerWaalsContact CE-CE2 3.49Å; K225-W233 HydrophobicContact CG-CH2 4.15Å; K225-W233 HydrophobicContact CG-CZ2 3.41Å; K225-W233 VanDerWaalsContact CG-CZ2 3.41Å
226	A	95.5	Very high	92.9	Very high	31 Å²	31	33.5 Å²	33.5	26%	0.256	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-30.9	176.8	0	0	0	0	0	113.3	D222 Q223 L224 G228 L681 T726	D222-A226 WeakPolarHBondContact O-CB 3.32Å; D222-A226 PolarHBondContact O-N 3.23Å; Q223-A226 PolarHBondContact O-N 2.74Å; L224-A226 VanDerWaalsContact C-N 3.34Å; L224-A226 PolarHBondContact O-N 3.49Å; A226-G228 PolarHBondContact O-N 3.29Å; A226-L681 HydrophobicContact CB-CD2 3.45Å; A226-L681 VanDerWaalsContact CB-CD2 3.45Å; A226-T726 WeakPolarHBondContact O-CG2 3.45Å; A226-T726 PolarHBondContact O-OG1 3.2Å
227	L	96.8	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3.9	170.5	-74.1	166.6	0	0	0	113.3	A148 Q223 L224 K225 S229 P680 I684 T726 L729 R730	A148-L227 HydrophobicContact CB-CD1 4.14Å; A148-L227 HydrophobicContact CB-CD2 3.99Å; Q223-L227 WeakPolarHBondContact O-CG 3.46Å; Q223-L227 PolarHBondContact O-N 3.05Å; L224-L227 WeakPolarHBondContact O-CB 3.34Å; L224-L227 PolarHBondContact O-N 2.97Å; K225-L227 VanDerWaalsContact C-N 3.29Å; K225-L227 PolarHBondContact O-N 3.29Å; L227-S229 VanDerWaalsContact C-N 3.31Å; L227-S229 PolarHBondContact O-N 3.3Å; L227-P680 HydrophobicContact CD1-CB 4.47Å; L227-P680 HydrophobicContact CD2-CB 4.1Å; L227-I684 HydrophobicContact CD2-CD1 4.04Å; L227-T726 VanDerWaalsContact C-CG2 3.45Å; L227-T726 VanDerWaalsContact O-CG2 3.27Å; L227-T726 WeakPolarHBondContact O-CG2 3.48Å; L227-L729 HydrophobicContact CD2-CD2 3.96Å; L227-R730 WeakPolarHBondContact O-CD 3.35Å; L227-R730 PolarHBondContact O-NH1 3.28Å
228	G	96.3	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	22.8	179.8	0	0	0	0	0	113.6	R159 L224 K225 A226 S230 R730	R159-G228 PolarHBondContact NH2-O 2.98Å; L224-G228 PolarHBondContact O-N 2.85Å; K225-G228 WeakPolarHBondContact O-CA 3.37Å; K225-G228 PolarHBondContact O-N 2.69Å; A226-G228 PolarHBondContact O-N 3.29Å; G228-S230 PolarHBondContact O-N 2.86Å; G228-R730 PolarHBondContact O-NH1 3.08Å
229	S	97.2	Very high	94.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.			trans	-61.5	124.7	179	-42.9	0	0	0	0	111	Y103 N151 L224 L227 L231	Y103-S229 WeakPolarHBondContact CE2-O 3.23Å; Y103-S229 PolarHBondContact OH-O 3.36Å; N151-S229 PolarHBondContact ND2-OG 3.4Å; N151-S229 PolarHBondContact OD1-OG 3.37Å; L224-S229 PolarHBondContact O-N 3.07Å; L224-S229 PolarHBondContact O-OG 3.05Å; L227-S229 VanDerWaalsContact C-N 3.31Å; L227-S229 PolarHBondContact O-N 3.3Å; S229-L231 PolarHBondContact O-N 3.15Å
230	S	97.2	Very high	94.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.			trans	-82.4	53	176.8	65.4	0	0	0	0	113.1	F112 D155 R162 G228	F112-S230 VanDerWaalsContact CE1-CB 3.42Å; D155-S230 WeakPolarHBondContact OD1-CB 3.3Å; D155-S230 PolarHBondContact OD1-N 3.45Å; D155-S230 PolarHBondContact OD1-OG 3.46Å; R162-S230 PolarHBondContact NH1-OG 2.58Å; R162-S230 PolarHBondContact NH2-O 3.24Å; R162-S230 PolarHBondContact NH2-OG 2.95Å; R162-S230 VanDerWaalsContact NH2-OG 3.08Å; G228-S230 PolarHBondContact O-N 2.86Å
231	L	96.3	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.			trans	-81.5	147.6	-179.5	-71	160.1	0	0	0	111.8	F112 I134 W170 P172 L224 S229 W233	F112-L231 WeakPolarHBondContact CD2-O 3.21Å; I134-L231 HydrophobicContact CD1-CD1 4.38Å; W170-L231 HydrophobicContact CB-CD2 4.32Å; W170-L231 HydrophobicContact CD2-CD2 3.31Å; W170-L231 HydrophobicContact CD2-CG 3.97Å; W170-L231 VanDerWaalsContact CE2-CD2 3.46Å; W170-L231 HydrophobicContact CE3-CD2 3.72Å; W170-L231 HydrophobicContact CE3-CG 3.82Å; W170-L231 HydrophobicContact CG-CD2 3.56Å; W170-L231 HydrophobicContact CH2-CD2 4.39Å; W170-L231 HydrophobicContact CH2-CG 4.33Å; W170-L231 HydrophobicContact CZ2-CD2 4.02Å; W170-L231 HydrophobicContact CZ2-CG 4.42Å; W170-L231 HydrophobicContact CZ3-CD2 4.22Å; W170-L231 HydrophobicContact CZ3-CG 3.99Å; P172-L231 HydrophobicContact CB-CB 4.15Å; P172-L231 HydrophobicContact CB-CD1 4.16Å; P172-L231 HydrophobicContact CB-CD2 3.94Å; P172-L231 HydrophobicContact CB-CG 4.31Å; P172-L231 HydrophobicContact CG-CB 4.08Å; P172-L231 HydrophobicContact CG-CD2 4.42Å; L224-L231 HydrophobicContact CB-CD1 4.22Å; L224-L231 HydrophobicContact CD1-CD1 4.07Å; S229-L231 PolarHBondContact O-N 3.15Å; L231-W233 HydrophobicContact CB-CD2 4.43Å; L231-W233 HydrophobicContact CB-CH2 4.34Å; L231-W233 HydrophobicContact CB-CZ2 3.98Å; L231-W233 HydrophobicContact CD1-CH2 3.6Å; L231-W233 HydrophobicContact CD1-CZ2 3.79Å; L231-W233 HydrophobicContact CD1-CZ3 4.31Å; L231-W233 PolarHBondContact O-N 3.49Å
232	D	95.7	Very high	94.6	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	16%	0.157	C	C	.	.			trans	-86.3	93.3	171.4	-174.8	5.9	0	0	0	111.5	L169 W170 P172 D234 R235	L169-D232 HydrophobicContact CD1-CB 3.95Å; W170-D232 PolarHBondContact O-N 2.92Å; P172-D232 WeakPolarHBondContact CD-O 3.21Å; P172-D232 WeakPolarHBondContact CG-O 3.47Å; D232-D234 PolarHBondContact O-N 3.35Å; D232-D234 PolarHBondContact OD1-N 2.88Å; D232-R235 PolarHBondContact O-N 3.42Å; D232-R235 VanDerWaalsContact O-N 3.15Å; D232-R235 WeakPolarHBondContact OD2-CD 3.49Å; D232-R235 IonicContact OD2-CZ 2.96Å; D232-R235 IonicContact OD2-NE 2.63Å; D232-R235 IonicContact OD2-NH1 3.55Å; D232-R235 PolarHBondContact OD2-NH1 2.98Å
233	W	94.5	Very high	94.6	Very high	30 Å²	30	28.7 Å²	28.7	11%	0.114	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-65.3	-22.2	-176.3	-61.1	110.9	0	0	0	114.5	Y103 P172 Y221 L224 K225 L231 R235 A236	Y103-W233 AromaticContact CE1-NE1 3.93Å; Y103-W233 AromaticContact CZ-NE1 3.77Å; Y103-W233 WeakPolarHBondContact OH-CZ2 3.36Å; Y103-W233 PolarHBondContact OH-NE1 3.27Å; P172-W233 HydrophobicContact CB-CE3 4.09Å; P172-W233 HydrophobicContact CB-CZ3 3.9Å; P172-W233 HydrophobicContact CG-CE3 4Å; P172-W233 HydrophobicContact CG-CZ3 4.33Å; Y221-W233 HydrophobicContact CD1-CH2 4.39Å; Y221-W233 AromaticContact CD1-CZ3 3.74Å; Y221-W233 HydrophobicContact CD1-CZ3 3.74Å; Y221-W233 HydrophobicContact CE1-CZ3 4.38Å; Y221-W233 AromaticContact CG-CZ3 3.81Å; Y221-W233 HydrophobicContact CG-CZ3 3.81Å; L224-W233 HydrophobicContact CB-CH2 3.86Å; L224-W233 HydrophobicContact CB-CZ2 4.36Å; L224-W233 HydrophobicContact CD1-CH2 4.19Å; K225-W233 HydrophobicContact CD-CZ2 4.33Å; K225-W233 VanDerWaalsContact CE-CE2 3.49Å; K225-W233 HydrophobicContact CG-CH2 4.15Å; K225-W233 HydrophobicContact CG-CZ2 3.41Å; K225-W233 VanDerWaalsContact CG-CZ2 3.41Å; L231-W233 HydrophobicContact CB-CD2 4.43Å; L231-W233 HydrophobicContact CB-CH2 4.34Å; L231-W233 HydrophobicContact CB-CZ2 3.98Å; L231-W233 HydrophobicContact CD1-CH2 3.6Å; L231-W233 HydrophobicContact CD1-CZ2 3.79Å; L231-W233 HydrophobicContact CD1-CZ3 4.31Å; L231-W233 PolarHBondContact O-N 3.49Å; W233-R235 PolarHBondContact O-N 3.46Å; W233-A236 WeakPolarHBondContact O-CB 3.31Å; W233-A236 PolarHBondContact O-N 2.9Å
234	D	92.9	Very high	94.6	Very high	120 Å²	120	28.8 Å²	28.8	64%	0.642	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-66.8	-24.1	176.9	-72.8	14.5	0	0	0	111.5	K113 D232	K113-D234 VanDerWaalsContact CE-OD2 3.25Å; K113-D234 WeakPolarHBondContact CE-OD2 3.34Å; K113-D234 VanDerWaalsContact NZ-CG 3.34Å; K113-D234 IonicContact NZ-OD1 3.18Å; K113-D234 IonicContact NZ-OD2 3.95Å; K113-D234 PolarHBondContact NZ-OD2 2.9Å; D232-D234 PolarHBondContact O-N 3.35Å; D232-D234 PolarHBondContact OD1-N 2.88Å
235	R	93.7	Very high	94.6	Very high	36 Å²	36	30.5 Å²	30.5	14%	0.136	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-104.1	15.2	179.1	-60.9	-179.1	163.1	92.8	-4.2	113.2	E115 N171 D232 W233 C237 D616	E115-R235 IonicContact OE1-CZ 2.66Å; E115-R235 IonicContact OE1-NH1 2.7Å; E115-R235 PolarHBondContact OE1-NH1 3.45Å; E115-R235 IonicContact OE1-NH2 3.67Å; E115-R235 PolarHBondContact OE1-NH2 2.83Å; E115-R235 IonicContact OE2-NH1 4Å; E115-R235 PolarHBondContact OE2-NH1 3.29Å; N171-R235 PolarHBondContact ND2-O 3.08Å; N171-R235 WeakPolarHBondContact OD1-CB 3.38Å; N171-R235 PolarHBondContact OD1-O 2.83Å; D232-R235 PolarHBondContact O-N 3.42Å; D232-R235 VanDerWaalsContact O-N 3.15Å; D232-R235 WeakPolarHBondContact OD2-CD 3.49Å; D232-R235 IonicContact OD2-CZ 2.96Å; D232-R235 IonicContact OD2-NE 2.63Å; D232-R235 IonicContact OD2-NH1 3.55Å; D232-R235 PolarHBondContact OD2-NH1 2.98Å; W233-R235 PolarHBondContact O-N 3.46Å; R235-C237 PolarHBondContact O-N 2.93Å; R235-C237 PolarHBondContact O-SG 3.38Å; R235-D616 IonicContact CZ-OD1 3Å; R235-D616 IonicContact CZ-OD2 2.56Å; R235-D616 IonicContact NE-OD1 3.51Å; R235-D616 IonicContact NE-OD2 3.37Å; R235-D616 PolarHBondContact NE-OD2 3.36Å; R235-D616 IonicContact NH2-OD1 3.14Å; R235-D616 PolarHBondContact NH2-OD1 3.15Å; R235-D616 IonicContact NH2-OD2 2.65Å
236	A	94.1	Very high	94.6	Very high	33 Å²	33	32.9 Å²	32.9	27%	0.273	17%	0.166	S	C	.	.			trans	-58.8	129.9	175.7	0	0	0	0	0	111.4	P172 W233	P172-A236 HydrophobicContact CB-CB 4.39Å; P172-A236 HydrophobicContact CG-CB 3.91Å; W233-A236 WeakPolarHBondContact O-CB 3.31Å; W233-A236 PolarHBondContact O-N 2.9Å
237	C	92.5	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.8	-177.7	-59.2	0	0	0	0	111.7	P172 G173 C174 R235 K243 F603 I607	P172-C237 PolarHBondContact O-N 3.46Å; G173-C237 CarbonylContact C-O 3.58Å; G173-C237 WeakPolarHBondContact CA-O 3.35Å; C174-C237 PolarHBondContact N-O 3.46Å; R235-C237 PolarHBondContact O-N 2.93Å; R235-C237 PolarHBondContact O-SG 3.38Å; C237-K243 WeakPolarHBondContact SG-CE 3.39Å; C237-K243 PolarHBondContact SG-NZ 2.85Å; C237-F603 HydrophobicContact CB-CE2 4.43Å; C237-I607 HydrophobicContact CB-CG2 3.98Å
238	F	93.6	Very high	94.7	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139	165.2	174.6	-118.1	0	0	0	109.8	V139 C174 H176 W210 K213 M240 D241 M244 W536	V139-F238 HydrophobicContact CG2-CE2 4.01Å; C174-F238 HydrophobicContact CB-CD2 4.06Å; C174-F238 WeakPolarHBondContact O-CA 3.45Å; C174-F238 WeakPolarHBondContact O-CD2 3.19Å; H176-F238 HydrophobicContact CB-CE1 4.4Å; H176-F238 HydrophobicContact CB-CE2 3.78Å; H176-F238 HydrophobicContact CB-CZ 3.47Å; H176-F238 VanDerWaalsContact CB-CZ 3.47Å; W210-F238 HydrophobicContact CH2-CD1 4.28Å; W210-F238 AromaticContact CH2-CE1 3.78Å; W210-F238 HydrophobicContact CH2-CE1 3.78Å; W210-F238 HydrophobicContact CZ3-CD1 4.24Å; W210-F238 AromaticContact CZ3-CE1 3.76Å; W210-F238 HydrophobicContact CZ3-CE1 3.76Å; K213-F238 HydrophobicContact CD-CD1 4.48Å; K213-F238 HydrophobicContact CD-CE1 4.19Å; K213-F238 HydrophobicContact CD-CE2 4.48Å; K213-F238 HydrophobicContact CD-CZ 4.22Å; K213-F238 VanDerWaalsContact CE-CG 3.48Å; K213-F238 HydrophobicContact CG-CE1 4.13Å; K213-F238 HydrophobicContact CG-CE2 3.97Å; K213-F238 HydrophobicContact CG-CZ 3.69Å; F238-M240 HydrophobicContact CD1-CB 4.05Å; F238-M240 HydrophobicContact CE1-CB 3.64Å; F238-M240 HydrophobicContact CE1-CG 4.31Å; F238-M240 HydrophobicContact CZ-CB 4.38Å; F238-M240 PolarHBondContact O-N 2.57Å; F238-D241 WeakPolarHBondContact CB-OD1 3.29Å; F238-D241 PolarHBondContact N-OD2 3.17Å; F238-D241 WeakPolarHBondContact O-CB 3.18Å; F238-D241 PolarHBondContact O-N 2.77Å; F238-M244 VanDerWaalsContact O-CG 3.32Å; F238-M244 WeakPolarHBondContact O-CG 3.45Å; F238-W536 HydrophobicContact CE1-CZ2 4.44Å; F238-W536 HydrophobicContact CZ-CZ2 4.05Å
239	T	93.2	Very high	94.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.5	-172.2	46.8	0	0	0	0	114.4	C174 D175 H176 M244 H538 F603	C174-T239 PolarHBondContact O-N 3.49Å; C174-T239 VanDerWaalsContact O-N 3.15Å; D175-T239 WeakPolarHBondContact CA-OG1 3.42Å; D175-T239 HydrophobicContact CB-CG2 4.35Å; D175-T239 PolarHBondContact OD1-OG1 3.26Å; H176-T239 PolarHBondContact N-OG1 2.85Å; H176-T239 PolarHBondContact ND1-OG1 3Å; T239-M244 WeakPolarHBondContact O-CB 3.39Å; T239-H538 PolarHBondContact O-CE1 3.2Å; T239-H538 PolarHBondContact O-NE2 3.3Å; T239-F603 HydrophobicContact CG2-CD2 4.15Å; T239-F603 HydrophobicContact CG2-CE2 4.42Å
240	M	93.3	Very high	94.7	Very high	28 Å²	28	34.3 Å²	34.3	14%	0.138	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	18.6	172.2	-59.8	179.8	61.6	0	0	114.6	H176 W210 F238 C245 W536	H176-M240 HydrophobicContact CB-CG 3.82Å; H176-M240 HydrophobicContact CB-SD 3.71Å; W210-M240 HydrophobicContact CH2-CB 4.39Å; W210-M240 HydrophobicContact CZ2-CE 4.49Å; F238-M240 HydrophobicContact CD1-CB 4.05Å; F238-M240 HydrophobicContact CE1-CB 3.64Å; F238-M240 HydrophobicContact CE1-CG 4.31Å; F238-M240 HydrophobicContact CZ-CB 4.38Å; F238-M240 PolarHBondContact O-N 2.57Å; M240-C245 PolarHBondContact O-SG 3.26Å; M240-C245 VanDerWaalsContact O-SG 3.37Å; M240-W536 HydrophobicContact CE-CE3 4.28Å; M240-W536 HydrophobicContact CE-CH2 4.03Å; M240-W536 HydrophobicContact CE-CZ2 4.44Å; M240-W536 HydrophobicContact CE-CZ3 3.95Å; M240-W536 HydrophobicContact SD-CD2 4.1Å; M240-W536 HydrophobicContact SD-CE3 4.26Å; M240-W536 HydrophobicContact SD-CH2 3.69Å; M240-W536 HydrophobicContact SD-CZ2 3.51Å; M240-W536 VanDerWaalsContact SD-CZ2 3.51Å; M240-W536 HydrophobicContact SD-CZ3 4.07Å
241	D	92.7	Very high	94.7	Very high	53 Å²	53	34.3 Å²	34.3	28%	0.283	17%	0.17	S	C	.	.	S	Bend	trans	-62.7	157.8	166.3	-72.2	-21.2	0	0	0	110.5	F238 K243 M244 C245	F238-D241 WeakPolarHBondContact CB-OD1 3.29Å; F238-D241 PolarHBondContact N-OD2 3.17Å; F238-D241 WeakPolarHBondContact O-CB 3.18Å; F238-D241 PolarHBondContact O-N 2.77Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.42Å; D241-M244 HydrophobicContact CB-CG 4.3Å; D241-M244 WeakPolarHBondContact O-CB 3.47Å; D241-M244 PolarHBondContact O-N 3.04Å; D241-C245 PolarHBondContact O-N 3.35Å; D241-C245 PolarHBondContact O-SG 3.09Å; D241-C245 VanDerWaalsContact O-SG 3.39Å
242	E	92.8	Very high	94.8	Very high	150 Å²	150	34.3 Å²	34.3	70%	0.701	17%	0.17	S	C	*	.	H	α-helix	trans	-56.5	-43.8	-173.9	-157.4	-166.4	144.1	0	0	112.5	M244 C245 R246	E242-M244 VanDerWaalsContact C-N 3.31Å; E242-M244 PolarHBondContact O-N 3.07Å; E242-C245 PolarHBondContact O-N 2.95Å; E242-R246 VanDerWaalsContact CD-NH1 3.29Å; E242-R246 WeakPolarHBondContact O-CG 3.17Å; E242-R246 PolarHBondContact O-N 3.25Å; E242-R246 IonicContact OE1-NH1 3.65Å; E242-R246 PolarHBondContact OE1-NH1 2.97Å
243	K	93.2	Very high	94.9	Very high	60 Å²	60	34.1 Å²	34.1	26%	0.261	17%	0.169	S	C	.	.	H	α-helix	trans	-60.7	-39.4	175.9	72.4	175.5	-178.1	174.6	0	112.7	C237 D241 R246 A247 I607	C237-K243 WeakPolarHBondContact SG-CE 3.39Å; C237-K243 PolarHBondContact SG-NZ 2.85Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.42Å; K243-R246 PolarHBondContact O-N 2.82Å; K243-A247 PolarHBondContact O-N 2.81Å; K243-A247 VanDerWaalsContact O-N 3.09Å; K243-I607 PolarHBondContact NZ-O 3.19Å
244	M	94.5	Very high	95	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-73.7	-37.7	-179.1	-59	-63.3	-69.2	0	0	110.6	F238 T239 D241 E242 R246 A247 V248 F603 S606 I607	F238-M244 VanDerWaalsContact O-CG 3.32Å; F238-M244 WeakPolarHBondContact O-CG 3.45Å; T239-M244 WeakPolarHBondContact O-CB 3.39Å; D241-M244 HydrophobicContact CB-CG 4.3Å; D241-M244 WeakPolarHBondContact O-CB 3.47Å; D241-M244 PolarHBondContact O-N 3.04Å; E242-M244 VanDerWaalsContact C-N 3.31Å; E242-M244 PolarHBondContact O-N 3.07Å; M244-R246 VanDerWaalsContact C-N 3.33Å; M244-R246 PolarHBondContact O-N 2.88Å; M244-A247 WeakPolarHBondContact O-CB 3.28Å; M244-A247 PolarHBondContact O-N 2.86Å; M244-V248 WeakPolarHBondContact O-CG2 3.47Å; M244-V248 PolarHBondContact O-N 3.5Å; M244-F603 HydrophobicContact CE-CD2 3.86Å; M244-F603 HydrophobicContact CE-CE2 4.42Å; M244-S606 WeakPolarHBondContact CE-OG 3.43Å; M244-I607 HydrophobicContact CE-CG2 4.07Å; M244-I607 HydrophobicContact SD-CG2 4.11Å
245	C	95.2	Very high	95.2	Very high	38 Å²	38	31.7 Å²	31.7	26%	0.257	15%	0.151	S	C	.	.	H	α-helix	trans	-61.3	-40.7	173.1	-69.3	0	0	0	0	112.1	M240 D241 E242 V248 T249 H538	M240-C245 PolarHBondContact O-SG 3.26Å; M240-C245 VanDerWaalsContact O-SG 3.37Å; D241-C245 PolarHBondContact O-N 3.35Å; D241-C245 PolarHBondContact O-SG 3.09Å; D241-C245 VanDerWaalsContact O-SG 3.39Å; E242-C245 PolarHBondContact O-N 2.95Å; C245-V248 PolarHBondContact O-N 3.45Å; C245-T249 WeakPolarHBondContact O-CB 3.35Å; C245-T249 PolarHBondContact O-N 3.48Å; C245-T249 PolarHBondContact O-OG1 2.92Å; C245-H538 VanDerWaalsContact SG-CE1 3.59Å
246	R	95.4	Very high	95.3	Very high	103 Å²	103	30.7 Å²	30.7	39%	0.389	15%	0.148	S	C	.	.	H	α-helix	trans	-62.8	-44.6	173.8	-71.1	-166.9	-59.7	-92.6	0.6	111.7	E242 K243 M244 V248 T249 E250 E612	E242-R246 VanDerWaalsContact CD-NH1 3.29Å; E242-R246 WeakPolarHBondContact O-CG 3.17Å; E242-R246 PolarHBondContact O-N 3.25Å; E242-R246 IonicContact OE1-NH1 3.65Å; E242-R246 PolarHBondContact OE1-NH1 2.97Å; K243-R246 PolarHBondContact O-N 2.82Å; M244-R246 VanDerWaalsContact C-N 3.33Å; M244-R246 PolarHBondContact O-N 2.88Å; R246-V248 PolarHBondContact O-N 3.01Å; R246-T249 PolarHBondContact O-N 2.93Å; R246-E250 WeakPolarHBondContact O-CB 3.33Å; R246-E250 PolarHBondContact O-N 3.33Å; R246-E612 IonicContact CZ-OE1 2.74Å; R246-E612 IonicContact NE-OE1 3.87Å; R246-E612 PolarHBondContact NE-OE1 2.99Å; R246-E612 IonicContact NH2-OE1 3.65Å
247	A	96.8	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.7	-50.8	174	0	0	0	0	0	112.4	K243 M244 T249 E250 A251 W610	K243-A247 PolarHBondContact O-N 2.81Å; K243-A247 VanDerWaalsContact O-N 3.09Å; M244-A247 WeakPolarHBondContact O-CB 3.28Å; M244-A247 PolarHBondContact O-N 2.86Å; A247-T249 VanDerWaalsContact C-N 3.29Å; A247-T249 PolarHBondContact O-N 3.28Å; A247-E250 PolarHBondContact O-N 3.03Å; A247-A251 WeakPolarHBondContact O-CB 3.38Å; A247-A251 PolarHBondContact O-N 3.42Å; A247-W610 HydrophobicContact CB-CE3 3.92Å; A247-W610 HydrophobicContact CB-CZ3 4.18Å; A247-W610 VanDerWaalsContact CB-O 3.24Å; A247-W610 WeakPolarHBondContact CB-O 3.07Å; A247-W610 VanDerWaalsContact O-CZ3 3.26Å; A247-W610 WeakPolarHBondContact O-CZ3 3.44Å
248	V	97.1	Very high	95.4	Very high	4 Å²	4	38 Å²	38	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-42.9	178.2	171.9	0	0	0	0	111.5	M244 C245 R246 A251 F252 H538 L594 F598 L602	M244-V248 WeakPolarHBondContact O-CG2 3.47Å; M244-V248 PolarHBondContact O-N 3.5Å; C245-V248 PolarHBondContact O-N 3.45Å; R246-V248 PolarHBondContact O-N 3.01Å; V248-A251 PolarHBondContact O-N 2.88Å; V248-F252 PolarHBondContact O-N 3.21Å; V248-H538 HydrophobicContact CG1-CB 3.88Å; V248-L594 HydrophobicContact CG1-CD1 3.38Å; V248-F598 HydrophobicContact CG1-CD1 4.12Å; V248-F598 HydrophobicContact CG1-CE1 4.15Å; V248-L602 HydrophobicContact CB-CD1 4.26Å; V248-L602 HydrophobicContact CG2-CD1 3.77Å
249	T	96.9	Very high	95.4	Very high	35 Å²	35	39.3 Å²	39.3	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-47.4	178.5	-57.9	0	0	0	0	111.2	C245 R246 A247 A251 F252 V253 P541 R565	C245-T249 WeakPolarHBondContact O-CB 3.35Å; C245-T249 PolarHBondContact O-N 3.48Å; C245-T249 PolarHBondContact O-OG1 2.92Å; R246-T249 PolarHBondContact O-N 2.93Å; A247-T249 VanDerWaalsContact C-N 3.29Å; A247-T249 PolarHBondContact O-N 3.28Å; T249-A251 PolarHBondContact O-N 3.29Å; T249-F252 PolarHBondContact O-N 3.47Å; T249-V253 HydrophobicContact CG2-CG2 4.44Å; T249-V253 VanDerWaalsContact O-CG2 3.26Å; T249-V253 WeakPolarHBondContact O-CG2 3.31Å; T249-V253 PolarHBondContact O-N 3.46Å; T249-P541 HydrophobicContact CG2-CB 3.87Å; T249-P541 HydrophobicContact CG2-CG 4.11Å; T249-R565 HydrophobicContact CG2-CB 4.35Å
250	E	97.2	Very high	95.6	Very high	21 Å²	21	39.9 Å²	39.9	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-45	178.3	-174.4	68.6	-169.2	0	0	112	R246 A247 F252 V253 R254 R565 W610 P611	R246-E250 WeakPolarHBondContact O-CB 3.33Å; R246-E250 PolarHBondContact O-N 3.33Å; A247-E250 PolarHBondContact O-N 3.03Å; E250-F252 PolarHBondContact O-N 3.4Å; E250-V253 PolarHBondContact O-N 2.69Å; E250-R254 HydrophobicContact CG-CG 4.46Å; E250-R254 WeakPolarHBondContact O-CG 3.4Å; E250-R254 PolarHBondContact O-N 2.77Å; E250-R254 IonicContact OE1-CZ 3.38Å; E250-R254 VanDerWaalsContact OE1-CZ 3.22Å; E250-R254 IonicContact OE1-NE 2.72Å; E250-R254 PolarHBondContact OE1-NE 2.99Å; E250-R254 IonicContact OE1-NH2 3.18Å; E250-R254 PolarHBondContact OE1-NH2 3.34Å; E250-R565 VanDerWaalsContact CD-NH2 3.31Å; E250-R565 IonicContact OE1-CZ 3.97Å; E250-R565 IonicContact OE1-NE 3.88Å; E250-R565 IonicContact OE1-NH2 2.81Å; E250-R565 PolarHBondContact OE1-NH2 2.8Å; E250-R565 IonicContact OE2-CZ 2.82Å; E250-R565 VanDerWaalsContact OE2-CZ 3.31Å; E250-R565 IonicContact OE2-NE 2.69Å; E250-R565 PolarHBondContact OE2-NE 3.1Å; E250-R565 IonicContact OE2-NH2 3.78Å; E250-R565 PolarHBondContact OE2-NH2 3.47Å; E250-R565 VanDerWaalsContact OE2-NH2 3.13Å; E250-W610 HydrophobicContact CB-CH2 4.09Å; E250-W610 HydrophobicContact CB-CZ3 4.25Å; E250-W610 HydrophobicContact CG-CH2 3.93Å; E250-W610 HydrophobicContact CG-CZ2 4.28Å; E250-W610 HydrophobicContact CG-CZ3 4.49Å; E250-P611 HydrophobicContact CB-CB 4.3Å; E250-P611 HydrophobicContact CB-CG 3.86Å; E250-P611 HydrophobicContact CG-CB 3.74Å; E250-P611 HydrophobicContact CG-CG 3.78Å
251	A	97.6	Very high	95.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-48	177.8	0	0	0	0	0	111.4	A247 V248 T249 M255 F598 L602 W610 L647	A247-A251 WeakPolarHBondContact O-CB 3.38Å; A247-A251 PolarHBondContact O-N 3.42Å; V248-A251 PolarHBondContact O-N 2.88Å; T249-A251 PolarHBondContact O-N 3.29Å; A251-M255 WeakPolarHBondContact O-CB 3.34Å; A251-M255 VanDerWaalsContact O-CG 3.27Å; A251-M255 WeakPolarHBondContact O-CG 3.37Å; A251-M255 PolarHBondContact O-N 2.8Å; A251-M255 VanDerWaalsContact O-N 3.07Å; A251-F598 HydrophobicContact CB-CE1 4.29Å; A251-F598 HydrophobicContact CB-CZ 4.22Å; A251-L602 HydrophobicContact CB-CD1 3.71Å; A251-L602 HydrophobicContact CB-CD2 3.92Å; A251-L602 HydrophobicContact CB-CG 4.49Å; A251-W610 HydrophobicContact CB-CH2 3.93Å; A251-W610 HydrophobicContact CB-CZ3 4.03Å; A251-L647 HydrophobicContact CB-CD1 3.59Å; A251-L647 HydrophobicContact CB-CD2 4.41Å
252	F	97.8	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-47.7	178.2	-172.6	-80	0	0	0	111.6	V248 T249 E250 R254 M255 H256 I261 W487 I530 I540 P541 A542 L594 F598	V248-F252 PolarHBondContact O-N 3.21Å; T249-F252 PolarHBondContact O-N 3.47Å; E250-F252 PolarHBondContact O-N 3.4Å; F252-R254 PolarHBondContact O-N 3.16Å; F252-M255 PolarHBondContact O-N 2.85Å; F252-H256 HydrophobicContact CD1-CB 4.46Å; F252-H256 HydrophobicContact CE1-CB 4.22Å; F252-H256 VanDerWaalsContact O-CB 3.28Å; F252-H256 WeakPolarHBondContact O-CB 3.26Å; F252-H256 PolarHBondContact O-N 3.47Å; F252-I261 HydrophobicContact CD2-CD1 3.74Å; F252-I261 HydrophobicContact CE2-CD1 4.1Å; F252-I261 HydrophobicContact CE2-CG2 3.85Å; F252-I261 HydrophobicContact CG-CD1 4.17Å; F252-I261 HydrophobicContact CZ-CG2 3.84Å; F252-W487 HydrophobicContact CE2-CD2 4.48Å; F252-W487 AromaticContact CZ-CD2 3.94Å; F252-W487 HydrophobicContact CZ-CD2 3.94Å; F252-W487 AromaticContact CZ-CE3 3.91Å; F252-W487 HydrophobicContact CZ-CE3 3.91Å; F252-W487 HydrophobicContact CZ-CH2 4.46Å; F252-W487 HydrophobicContact CZ-CZ2 4.49Å; F252-W487 HydrophobicContact CZ-CZ3 4.18Å; F252-I530 HydrophobicContact CD2-CD1 4.21Å; F252-I530 HydrophobicContact CE2-CD1 3.89Å; F252-I540 HydrophobicContact CD2-CG2 4.47Å; F252-I540 HydrophobicContact CE1-CG2 3.99Å; F252-I540 HydrophobicContact CE2-CG2 3.71Å; F252-I540 HydrophobicContact CZ-CG2 3.44Å; F252-I540 VanDerWaalsContact CZ-CG2 3.44Å; F252-P541 HydrophobicContact CB-CG 3.77Å; F252-P541 HydrophobicContact CD1-CG 3.58Å; F252-P541 HydrophobicContact CE1-CG 4.4Å; F252-P541 HydrophobicContact CG-CG 3.76Å; F252-A542 HydrophobicContact CE1-CB 4.02Å; F252-A542 HydrophobicContact CZ-CB 4.29Å; F252-L594 HydrophobicContact CD2-CD1 4.36Å; F252-L594 HydrophobicContact CD2-CD2 3.82Å; F252-L594 HydrophobicContact CE2-CD2 4.02Å; F252-F598 HydrophobicContact CB-CE1 4.49Å
253	V	97.1	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-50	-177.6	172.3	0	0	0	0	110.8	T249 E250 M255 H256 E257 R565	T249-V253 HydrophobicContact CG2-CG2 4.44Å; T249-V253 VanDerWaalsContact O-CG2 3.26Å; T249-V253 WeakPolarHBondContact O-CG2 3.31Å; T249-V253 PolarHBondContact O-N 3.46Å; E250-V253 PolarHBondContact O-N 2.69Å; V253-M255 PolarHBondContact O-N 3.48Å; V253-H256 PolarHBondContact O-N 2.95Å; V253-E257 HydrophobicContact CG1-CG 4.47Å; V253-E257 WeakPolarHBondContact CG1-OE1 3.4Å; V253-E257 WeakPolarHBondContact O-CB 3.36Å; V253-E257 VanDerWaalsContact O-CG 3.27Å; V253-E257 WeakPolarHBondContact O-CG 3.34Å; V253-E257 PolarHBondContact O-N 3.07Å; V253-R565 HydrophobicContact CG2-CG 4.28Å
254	R	96.8	Very high	95.6	Very high	98 Å²	98	30 Å²	30	37%	0.37	15%	0.15	S	C	.	.	H	α-helix	trans	-61.2	-46.5	179.7	-70.9	-175.3	-172.5	-167.5	4.5	112.8	E250 F252 H256 E257 D258 L647	E250-R254 HydrophobicContact CG-CG 4.46Å; E250-R254 WeakPolarHBondContact O-CG 3.4Å; E250-R254 PolarHBondContact O-N 2.77Å; E250-R254 IonicContact OE1-CZ 3.38Å; E250-R254 VanDerWaalsContact OE1-CZ 3.22Å; E250-R254 IonicContact OE1-NE 2.72Å; E250-R254 PolarHBondContact OE1-NE 2.99Å; E250-R254 IonicContact OE1-NH2 3.18Å; E250-R254 PolarHBondContact OE1-NH2 3.34Å; F252-R254 PolarHBondContact O-N 3.16Å; R254-H256 VanDerWaalsContact C-N 3.3Å; R254-H256 PolarHBondContact O-N 3.26Å; R254-E257 PolarHBondContact O-N 3.32Å; R254-D258 PolarHBondContact O-N 2.79Å; R254-D258 VanDerWaalsContact O-N 3.11Å; R254-L647 HydrophobicContact CB-CD2 4.36Å
255	M	97.4	Very high	95.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-72	-25.3	-178	-68.2	174.7	68.8	0	0	112.4	A251 F252 V253 D258 T260 I261 V489 M494 F598 L643 K646 L647	A251-M255 WeakPolarHBondContact O-CB 3.34Å; A251-M255 VanDerWaalsContact O-CG 3.27Å; A251-M255 WeakPolarHBondContact O-CG 3.37Å; A251-M255 PolarHBondContact O-N 2.8Å; A251-M255 VanDerWaalsContact O-N 3.07Å; F252-M255 PolarHBondContact O-N 2.85Å; V253-M255 PolarHBondContact O-N 3.48Å; M255-D258 WeakPolarHBondContact CA-OD1 3.31Å; M255-T260 HydrophobicContact CE-CG2 3.71Å; M255-T260 CarbonylContact O-C 3.37Å; M255-T260 WeakPolarHBondContact O-CA 3.32Å; M255-T260 PolarHBondContact O-N 3.06Å; M255-I261 HydrophobicContact CB-CB 4.33Å; M255-I261 HydrophobicContact CB-CD1 3.61Å; M255-I261 HydrophobicContact CB-CG1 3.75Å; M255-I261 HydrophobicContact CE-CD1 4.45Å; M255-I261 HydrophobicContact CE-CG1 4.31Å; M255-I261 PolarHBondContact O-N 2.93Å; M255-I261 HydrophobicContact SD-CD1 4.4Å; M255-V489 HydrophobicContact CE-CG1 3.91Å; M255-V489 HydrophobicContact CE-CG2 4.36Å; M255-M494 HydrophobicContact CE-CE 4.41Å; M255-F598 HydrophobicContact SD-CE2 4.43Å; M255-F598 HydrophobicContact SD-CZ 4.46Å; M255-L643 HydrophobicContact CE-CD2 3.79Å; M255-L643 HydrophobicContact SD-CD2 3.73Å; M255-K646 HydrophobicContact CE-CG 4.44Å; M255-K646 HydrophobicContact CG-CG 4.37Å; M255-L647 HydrophobicContact CG-CD2 3.96Å; M255-L647 HydrophobicContact SD-CD1 4.4Å; M255-L647 HydrophobicContact SD-CD2 4.25Å; M255-L647 HydrophobicContact SD-CG 4.43Å
256	H	95.9	Very high	94.8	Very high	14 Å²	14	34 Å²	34	7%	0.065	17%	0.165	C	C	.	.	H	α-helix	trans	-74.4	-41.7	171.4	178.7	-126	0	0	0	111.1	F252 V253 R254 D258 G259 I261 W487 D558 S563	F252-H256 HydrophobicContact CD1-CB 4.46Å; F252-H256 HydrophobicContact CE1-CB 4.22Å; F252-H256 VanDerWaalsContact O-CB 3.28Å; F252-H256 WeakPolarHBondContact O-CB 3.26Å; F252-H256 PolarHBondContact O-N 3.47Å; V253-H256 PolarHBondContact O-N 2.95Å; R254-H256 VanDerWaalsContact C-N 3.3Å; R254-H256 PolarHBondContact O-N 3.26Å; H256-D258 VanDerWaalsContact C-N 3.31Å; H256-D258 PolarHBondContact O-N 2.98Å; H256-G259 PolarHBondContact O-N 2.82Å; H256-G259 VanDerWaalsContact O-N 3.13Å; H256-I261 HydrophobicContact CB-CB 4.22Å; H256-I261 HydrophobicContact CB-CG2 4.28Å; H256-I261 PolarHBondContact CD2-O 3.06Å; H256-W487 AromaticContact CD2-CZ3 3.67Å; H256-W487 AromaticContact NE2-CH2 3.87Å; H256-W487 AromaticContact NE2-CZ3 3.7Å; H256-D558 IonicContact NE2-OD1 3.99Å; H256-S563 WeakPolarHBondContact ND1-CB 3.35Å; H256-S563 PolarHBondContact ND1-OG 2.62Å
257	E	93.8	Very high	94.4	Very high	105 Å²	105	30 Å²	30	49%	0.491	15%	0.151	S	C	.	.	H	α-helix	trans	-63	-34.7	179.1	-74.5	171.6	168.8	0	0	113.2	V253 R254 G259 K573	V253-E257 HydrophobicContact CG1-CG 4.47Å; V253-E257 WeakPolarHBondContact CG1-OE1 3.4Å; V253-E257 WeakPolarHBondContact O-CB 3.36Å; V253-E257 VanDerWaalsContact O-CG 3.27Å; V253-E257 WeakPolarHBondContact O-CG 3.34Å; V253-E257 PolarHBondContact O-N 3.07Å; R254-E257 PolarHBondContact O-N 3.32Å; E257-G259 VanDerWaalsContact C-N 3.33Å; E257-K573 VanDerWaalsContact OE1-CE 3.31Å; E257-K573 WeakPolarHBondContact OE1-CE 3.49Å; E257-K573 IonicContact OE1-NZ 3.59Å; E257-K573 PolarHBondContact OE1-NZ 2.79Å
258	D	94.7	Very high	94	Very high	82 Å²	82	30.4 Å²	30.4	44%	0.439	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.4	176.8	79	7.7	0	0	0	114.3	R254 M255 H256 T260 K646	R254-D258 PolarHBondContact O-N 2.79Å; R254-D258 VanDerWaalsContact O-N 3.11Å; M255-D258 WeakPolarHBondContact CA-OD1 3.31Å; H256-D258 VanDerWaalsContact C-N 3.31Å; H256-D258 PolarHBondContact O-N 2.98Å; D258-T260 VanDerWaalsContact C-N 3.33Å; D258-T260 VanDerWaalsContact CG-OG1 3.3Å; D258-T260 PolarHBondContact O-N 2.87Å; D258-T260 WeakPolarHBondContact OD1-CB 3.29Å; D258-T260 PolarHBondContact OD1-N 3.16Å; D258-T260 PolarHBondContact OD1-OG1 3.36Å; D258-T260 PolarHBondContact OD2-OG1 3.06Å; D258-K646 IonicContact OD1-NZ 2.77Å; D258-K646 WeakPolarHBondContact OD2-CE 3.33Å; D258-K646 IonicContact OD2-NZ 3.23Å; D258-K646 PolarHBondContact OD2-NZ 2.75Å
259	G	94.4	Very high	93.5	Very high	29 Å²	29	31.7 Å²	31.7	30%	0.299	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	12	178	0	0	0	0	0	115.5	H256 E257 K490	H256-G259 PolarHBondContact O-N 2.82Å; H256-G259 VanDerWaalsContact O-N 3.13Å; E257-G259 VanDerWaalsContact C-N 3.33Å; G259-K490 WeakPolarHBondContact O-CE 3.46Å; G259-K490 PolarHBondContact O-NZ 3.47Å
260	T	96.4	Very high	93.1	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.08	15%	0.15	C	C	.	.	S	Bend	trans	-72.5	-41.6	171.5	-54.5	0	0	0	0	111.2	M255 D258 V489 K490 M494 K646	M255-T260 HydrophobicContact CE-CG2 3.71Å; M255-T260 CarbonylContact O-C 3.37Å; M255-T260 WeakPolarHBondContact O-CA 3.32Å; M255-T260 PolarHBondContact O-N 3.06Å; D258-T260 VanDerWaalsContact C-N 3.33Å; D258-T260 VanDerWaalsContact CG-OG1 3.3Å; D258-T260 PolarHBondContact O-N 2.87Å; D258-T260 WeakPolarHBondContact OD1-CB 3.29Å; D258-T260 PolarHBondContact OD1-N 3.16Å; D258-T260 PolarHBondContact OD1-OG1 3.36Å; D258-T260 PolarHBondContact OD2-OG1 3.06Å; T260-V489 HydrophobicContact CG2-CG1 4.18Å; T260-V489 WeakPolarHBondContact O-CA 3.41Å; T260-K490 PolarHBondContact O-N 2.86Å; T260-M494 HydrophobicContact CG2-CE 3.95Å; T260-K646 WeakPolarHBondContact OG1-CE 3.36Å; T260-K646 PolarHBondContact OG1-NZ 2.73Å
261	I	96.7	Very high	92.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.8	167.4	-71	173.2	0	0	0	108.4	F252 M255 H256 W487 Y488 V489 I530 F598	F252-I261 HydrophobicContact CD2-CD1 3.74Å; F252-I261 HydrophobicContact CE2-CD1 4.1Å; F252-I261 HydrophobicContact CE2-CG2 3.85Å; F252-I261 HydrophobicContact CG-CD1 4.17Å; F252-I261 HydrophobicContact CZ-CG2 3.84Å; M255-I261 HydrophobicContact CB-CB 4.33Å; M255-I261 HydrophobicContact CB-CD1 3.61Å; M255-I261 HydrophobicContact CB-CG1 3.75Å; M255-I261 HydrophobicContact CE-CD1 4.45Å; M255-I261 HydrophobicContact CE-CG1 4.31Å; M255-I261 PolarHBondContact O-N 2.93Å; M255-I261 HydrophobicContact SD-CD1 4.4Å; H256-I261 HydrophobicContact CB-CB 4.22Å; H256-I261 HydrophobicContact CB-CG2 4.28Å; H256-I261 PolarHBondContact CD2-O 3.06Å; I261-W487 HydrophobicContact CG2-CE3 3.63Å; I261-W487 HydrophobicContact CG2-CZ3 4.13Å; I261-Y488 VanDerWaalsContact CA-O 3.27Å; I261-Y488 WeakPolarHBondContact CA-O 3.33Å; I261-V489 HydrophobicContact CD1-CG2 4.37Å; I261-V489 HydrophobicContact CG1-CG2 3.76Å; I261-I530 HydrophobicContact CD1-CD1 3.84Å; I261-I530 HydrophobicContact CG1-CD1 4.05Å; I261-I530 HydrophobicContact CG2-CD1 4.17Å; I261-F598 HydrophobicContact CD1-CE2 4.13Å; I261-F598 HydrophobicContact CD1-CZ 4.1Å
262	Y	94.7	Very high	91.9	Very high	30 Å²	30	29.6 Å²	29.6	12%	0.118	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.2	178.8	66.6	-77.5	0	0	0	110.6	R266 Y488 K490 D527	Y262-R266 VanDerWaalsContact OH-CZ 3.23Å; Y262-R266 PolarHBondContact OH-NH1 3.39Å; Y262-R266 PolarHBondContact OH-NH2 3.25Å; Y262-Y488 PolarHBondContact N-O 3.2Å; Y262-Y488 PolarHBondContact O-N 2.97Å; Y262-K490 HydrophobicContact CD1-CD 4.35Å; Y262-K490 HydrophobicContact CD1-CG 3.81Å; Y262-K490 HydrophobicContact CE1-CD 4.21Å; Y262-K490 HydrophobicContact CE1-CG 3.36Å; Y262-D527 PolarHBondContact OH-OD2 3.38Å
263	R	92.6	Very high	91	Very high	24 Å²	24	31.8 Å²	31.8	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.2	173.5	-160.8	175.8	-178.1	93.4	-5.2	110.8	Q486 W487 D555 D558 W561 D590	R263-Q486 WeakPolarHBondContact CA-O 3.45Å; R263-W487 HydrophobicContact CB-CD2 4.35Å; R263-W487 HydrophobicContact CB-CE3 4.07Å; R263-W487 HydrophobicContact CB-CH2 4.21Å; R263-W487 HydrophobicContact CB-CZ2 4.48Å; R263-W487 HydrophobicContact CB-CZ3 4Å; R263-D555 PolarHBondContact NE-O 3.07Å; R263-D558 HydrophobicContact CB-CB 4.02Å; R263-D558 WeakPolarHBondContact CB-OD1 2.84Å; R263-D558 PolarHBondContact N-OD1 2.92Å; R263-W561 VanDerWaalsContact CD-CD1 3.44Å; R263-W561 VanDerWaalsContact CD-NE1 3.28Å; R263-D590 IonicContact CZ-OD2 3.04Å; R263-D590 IonicContact NH1-OD2 3.73Å; R263-D590 PolarHBondContact NH1-OD2 3.27Å; R263-D590 IonicContact NH2-OD2 2.85Å
264	S	89.6	Confident	89.8	Confident	28 Å²	28	32.2 Å²	32.2	20%	0.196	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.5	176.5	-178.7	0	0	0	0	110.9	Q486 Y488	S264-Q486 PolarHBondContact N-O 3.17Å; S264-Q486 PolarHBondContact O-N 3.49Å; S264-Y488 WeakPolarHBondContact O-CE2 3.2Å
265	V	87.9	Confident	89.1	Confident	46 Å²	46	32.7 Å²	32.7	28%	0.279	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.6	165.8	-175.4	0	0	0	0	108.5	L483 K484 A485 V556	V265-L483 HydrophobicContact CG1-CB 4.08Å; V265-L483 HydrophobicContact CG1-CD2 4.21Å; V265-K484 WeakPolarHBondContact CA-O 3.42Å; V265-A485 HydrophobicContact CG2-CB 4.07Å; V265-V556 HydrophobicContact CG2-CB 3.61Å; V265-V556 HydrophobicContact CG2-CG1 3.87Å; V265-V556 HydrophobicContact CG2-CG2 4.41Å
266	R	84.5	Confident	88.2	Confident	80 Å²	80	32.7 Å²	32.7	30%	0.302	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	166.7	172.4	-59.6	-176.5	172.5	-176.5	-4.4	109.4	Y262 V268 L483 K484 Y488 D527	Y262-R266 VanDerWaalsContact OH-CZ 3.23Å; Y262-R266 PolarHBondContact OH-NH1 3.39Å; Y262-R266 PolarHBondContact OH-NH2 3.25Å; R266-V268 PolarHBondContact O-N 3.01Å; R266-L483 WeakPolarHBondContact O-CA 3.25Å; R266-K484 PolarHBondContact N-O 2.8Å; R266-K484 PolarHBondContact O-N 3.11Å; R266-K484 VanDerWaalsContact O-N 3.12Å; R266-Y488 HydrophobicContact CG-CE2 4.33Å; R266-D527 IonicContact CZ-OD2 3.22Å; R266-D527 IonicContact NH1-OD2 2.7Å; R266-D527 PolarHBondContact NH1-OD2 3.44Å; R266-D527 IonicContact NH2-OD2 2.87Å; R266-D527 PolarHBondContact NH2-OD2 3.39Å; R266-D527 VanDerWaalsContact NH2-OD2 3.08Å
267	L	87.7	Confident	87.6	Confident	19 Å²	19	32 Å²	32	10%	0.099	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	123.6	163.8	-89.7	160.7	0	0	0	109	A386 D388 Y392 P481 L482 L483	L267-A386 WeakPolarHBondContact CD2-O 3.09Å; L267-D388 WeakPolarHBondContact CD1-O 3.48Å; L267-Y392 HydrophobicContact CD1-CD1 4.38Å; L267-Y392 HydrophobicContact CD1-CD2 3.92Å; L267-Y392 HydrophobicContact CD1-CG 3.64Å; L267-Y392 HydrophobicContact CG-CD2 4.46Å; L267-P481 VanDerWaalsContact CD2-C 3.48Å; L267-P481 HydrophobicContact CD2-CB 3.45Å; L267-P481 VanDerWaalsContact CD2-CB 3.45Å; L267-L482 WeakPolarHBondContact CA-O 3.33Å; L267-L483 HydrophobicContact CG-CD2 4.07Å
268	V	87.4	Confident	86.7	Confident	9 Å²	9	27.6 Å²	27.6	6%	0.055	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148	173	-60.2	0	0	0	0	109.8	R266 W270 A277 P481 L482 K484 Q486 Y488	R266-V268 PolarHBondContact O-N 3.01Å; V268-W270 HydrophobicContact CG2-CE3 4.43Å; V268-W270 PolarHBondContact O-N 2.85Å; V268-A277 HydrophobicContact CB-CB 4.35Å; V268-A277 HydrophobicContact CG2-CB 4.13Å; V268-P481 WeakPolarHBondContact O-CA 3.3Å; V268-L482 WeakPolarHBondContact CG2-O 3.31Å; V268-L482 PolarHBondContact N-O 2.72Å; V268-L482 PolarHBondContact O-N 3.41Å; V268-K484 HydrophobicContact CG2-CB 3.78Å; V268-K484 HydrophobicContact CG2-CG 3.82Å; V268-Q486 HydrophobicContact CG1-CG 4.01Å; V268-Y488 WeakPolarHBondContact CG1-OH 3.43Å
269	N	86.8	Confident	85.6	Confident	30 Å²	30	24.3 Å²	24.3	16%	0.16	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	105.4	167.9	-63.8	-35.1	0	0	0	108	A277 I278 D280 V283 V479	N269-A277 CarbonylContact O-C 3.56Å; N269-A277 WeakPolarHBondContact O-CA 3.32Å; N269-I278 HydrophobicContact CB-CB 4.44Å; N269-I278 WeakPolarHBondContact CB-O 3.46Å; N269-I278 PolarHBondContact O-N 3.25Å; N269-D280 PolarHBondContact ND2-OD1 3.11Å; N269-V283 HydrophobicContact CB-CG2 3.98Å; N269-V479 HydrophobicContact CB-CG1 3.43Å; N269-V479 VanDerWaalsContact CB-CG1 3.43Å
270	W	88	Confident	84.5	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.1	-179.3	-173.5	-98.4	0	0	0	110.8	V268 R275 S276 A277 D408 E480 L482 K484 Q533	V268-W270 HydrophobicContact CG2-CE3 4.43Å; V268-W270 PolarHBondContact O-N 2.85Å; W270-R275 VanDerWaalsContact CH2-C 3.49Å; W270-R275 WeakPolarHBondContact CH2-O 3.34Å; W270-R275 HydrophobicContact CZ2-CB 4.13Å; W270-S276 VanDerWaalsContact CE3-C 3.44Å; W270-A277 HydrophobicContact CE3-CB 4.36Å; W270-A277 VanDerWaalsContact CE3-N 3.35Å; W270-D408 HydrophobicContact CZ2-CB 3.86Å; W270-D408 PolarHBondContact NE1-O 2.64Å; W270-E480 WeakPolarHBondContact CA-O 3.34Å; W270-E480 HydrophobicContact CB-CB 4.48Å; W270-E480 WeakPolarHBondContact CB-O 3.49Å; W270-E480 PolarHBondContact N-O 3.14Å; W270-E480 PolarHBondContact O-N 3.29Å; W270-L482 HydrophobicContact CB-CB 4.14Å; W270-L482 HydrophobicContact CB-CD1 3.91Å; W270-L482 HydrophobicContact CB-CG 4.02Å; W270-L482 VanDerWaalsContact CD1-CD1 3.47Å; W270-L482 HydrophobicContact CD2-CD1 4.23Å; W270-L482 HydrophobicContact CG-CD1 3.62Å; W270-L482 HydrophobicContact CG-CG 4.28Å; W270-K484 HydrophobicContact CE3-CG 4.05Å; W270-K484 HydrophobicContact CZ3-CD 4.26Å; W270-K484 HydrophobicContact CZ3-CG 4.14Å; W270-Q533 HydrophobicContact CH2-CG 4.04Å; W270-Q533 HydrophobicContact CZ3-CG 4.22Å; W270-Q533 VanDerWaalsContact CZ3-OE1 3.31Å
271	S	85.5	Confident	83.1	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.4	164.2	176.6	0	0	0	0	110	S273 L274 R275 S276 C454	S271-S273 PolarHBondContact O-N 2.81Å; S271-L274 PolarHBondContact O-N 2.72Å; S271-L274 PolarHBondContact OG-N 3.09Å; S271-R275 WeakPolarHBondContact O-CA 3.36Å; S271-R275 PolarHBondContact O-N 3.32Å; S271-S276 PolarHBondContact N-O 2.85Å; S271-S276 PolarHBondContact O-N 3.25Å; S271-C454 VanDerWaalsContact CB-SG 3.59Å
272	C	85	Confident	81.8	Confident	11 Å²	11	29.2 Å²	29.2	7%	0.074	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.3	174.8	-60.7	0	0	0	0	111.7	D408 D477	C272-D408 WeakPolarHBondContact CA-O 2.98Å; C272-D477 PolarHBondContact N-OD2 2.87Å
273	S	78	Confident	80.8	Confident	46 Å²	46	28.8 Å²	28.8	32%	0.322	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-40.7	177.4	-58.5	0	0	0	0	113.5	S271 D477	S271-S273 PolarHBondContact O-N 2.81Å; S273-D477 WeakPolarHBondContact CB-OD2 3.42Å; S273-D477 PolarHBondContact N-OD2 3.03Å; S273-D477 WeakPolarHBondContact OG-CB 3.45Å; S273-D477 PolarHBondContact OG-OD2 3.34Å
274	L	72.9	Confident	80	Confident	8 Å²	8	30.5 Å²	30.5	4%	0.042	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-21.8	179.6	-68.7	168.5	0	0	0	112.7	I179 V183 R197 S271 S276 I278 C472	I179-L274 HydrophobicContact CD1-CD1 4Å; V183-L274 HydrophobicContact CG2-CD2 4.39Å; R197-L274 PolarHBondContact NH2-O 2.73Å; R197-L274 VanDerWaalsContact NH2-O 3.12Å; S271-L274 PolarHBondContact O-N 2.72Å; S271-L274 PolarHBondContact OG-N 3.09Å; L274-S276 VanDerWaalsContact C-N 3.32Å; L274-I278 HydrophobicContact CD1-CD1 4.12Å; L274-C472 WeakPolarHBondContact CD2-SG 3.29Å
275	R	80.5	Confident	79.6	Confident	109 Å²	109	37.2 Å²	37.2	41%	0.411	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	47.6	-167.4	-53.1	178.4	-172.9	-148.8	-12.9	111.4	W270 S271 D409 Q533	W270-R275 VanDerWaalsContact CH2-C 3.49Å; W270-R275 WeakPolarHBondContact CH2-O 3.34Å; W270-R275 HydrophobicContact CZ2-CB 4.13Å; S271-R275 WeakPolarHBondContact O-CA 3.36Å; S271-R275 PolarHBondContact O-N 3.32Å; R275-D409 VanDerWaalsContact CD-OD1 3.24Å; R275-D409 WeakPolarHBondContact CD-OD1 3.45Å; R275-D409 IonicContact CZ-OD1 3.11Å; R275-D409 IonicContact CZ-OD2 3.41Å; R275-D409 IonicContact NE-OD1 2.72Å; R275-D409 PolarHBondContact NE-OD1 3.24Å; R275-D409 IonicContact NE-OD2 3.3Å; R275-D409 IonicContact NH1-OD1 2.91Å; R275-D409 PolarHBondContact NH1-OD1 3.31Å; R275-D409 IonicContact NH1-OD2 3.52Å; R275-D409 PolarHBondContact NH1-OD2 2.92Å; R275-D409 IonicContact NH2-OD1 3.98Å; R275-D409 PolarHBondContact NH2-OD1 3.44Å; R275-D409 IonicContact NH2-OD2 2.79Å; R275-D409 PolarHBondContact NH2-OD2 2.96Å; R275-Q533 VanDerWaalsContact O-CB 3.24Å; R275-Q533 WeakPolarHBondContact O-CB 3.48Å
276	S	80	Confident	79.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.2	-178.8	-178.3	0	0	0	0	111.6	W270 S271 L274 Q533	W270-S276 VanDerWaalsContact CE3-C 3.44Å; S271-S276 PolarHBondContact N-O 2.85Å; S271-S276 PolarHBondContact O-N 3.25Å; L274-S276 VanDerWaalsContact C-N 3.32Å; S276-Q533 PolarHBondContact OG-N 3.34Å
277	A	81.9	Confident	79.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	146.4	162.9	0	0	0	0	0	110.6	V268 N269 W270 R532	V268-A277 HydrophobicContact CB-CB 4.35Å; V268-A277 HydrophobicContact CG2-CB 4.13Å; N269-A277 CarbonylContact O-C 3.56Å; N269-A277 WeakPolarHBondContact O-CA 3.32Å; W270-A277 HydrophobicContact CE3-CB 4.36Å; W270-A277 VanDerWaalsContact CE3-N 3.35Å; A277-R532 VanDerWaalsContact O-CD 3.31Å; A277-R532 WeakPolarHBondContact O-CD 3.49Å
278	I	76.6	Confident	79.7	Confident	11 Å²	11	41 Å²	41	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142	179.9	-60.3	-177.2	0	0	0	107	N269 L274 E282 V283 C454	N269-I278 HydrophobicContact CB-CB 4.44Å; N269-I278 WeakPolarHBondContact CB-O 3.46Å; N269-I278 PolarHBondContact O-N 3.25Å; L274-I278 HydrophobicContact CD1-CD1 4.12Å; I278-E282 HydrophobicContact CG2-CB 3.37Å; I278-E282 WeakPolarHBondContact CG2-O 3.45Å; I278-V283 HydrophobicContact CG2-CG2 4.14Å; I278-C454 HydrophobicContact CD1-CB 4.01Å; I278-C454 WeakPolarHBondContact CD1-SG 3.27Å
279	S	70.9	Confident	79.8	Confident	14 Å²	14	47 Å²	47	10%	0.098	24%	0.24	C	C	.	.			trans	-76.3	154.5	177.4	61.9	0	0	0	0	112.2	I281 E282	S279-I281 PolarHBondContact O-N 3Å; S279-I281 WeakPolarHBondContact OG-CG2 3.3Å; S279-E282 PolarHBondContact N-OE2 2.85Å; S279-E282 VanDerWaalsContact N-OE2 3.14Å; S279-E282 WeakPolarHBondContact O-CA 3.4Å; S279-E282 WeakPolarHBondContact O-CB 3.28Å; S279-E282 PolarHBondContact O-N 3.35Å; S279-E282 WeakPolarHBondContact OG-CG 3.16Å; S279-E282 PolarHBondContact OG-OE2 3.24Å
280	D	71.8	Confident	79.9	Confident	93 Å²	93	45.9 Å²	45.9	50%	0.497	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-50.3	-34.6	177.2	-75.4	-14.5	0	0	0	113.1	N269 E282 V283 R526	N269-D280 PolarHBondContact ND2-OD1 3.11Å; D280-E282 VanDerWaalsContact C-N 3.31Å; D280-V283 PolarHBondContact O-N 3.43Å; D280-R526 IonicContact OD2-NH1 2.69Å; D280-R526 PolarHBondContact OD2-NH1 3.46Å
281	I	67.1	Low	80.2	Confident	49 Å²	49	51 Å²	51	25%	0.251	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-82.2	-11.7	-176.5	-155.7	172.9	0	0	0	113.2	S279 R455 F634 F635	S279-I281 PolarHBondContact O-N 3Å; S279-I281 WeakPolarHBondContact OG-CG2 3.3Å; I281-R455 PolarHBondContact O-NH1 2.89Å; I281-F634 HydrophobicContact CD1-CB 4.07Å; I281-F635 HydrophobicContact CB-CE1 3.88Å; I281-F635 HydrophobicContact CB-CZ 4.11Å; I281-F635 HydrophobicContact CD1-CD1 4.05Å; I281-F635 HydrophobicContact CD1-CD2 4.02Å; I281-F635 HydrophobicContact CD1-CE1 3.74Å; I281-F635 HydrophobicContact CD1-CE2 3.68Å; I281-F635 HydrophobicContact CD1-CG 4.22Å; I281-F635 HydrophobicContact CD1-CZ 3.56Å; I281-F635 HydrophobicContact CG1-CD1 4.4Å; I281-F635 HydrophobicContact CG1-CE1 3.62Å; I281-F635 HydrophobicContact CG1-CE2 3.96Å; I281-F635 HydrophobicContact CG1-CZ 3.37Å; I281-F635 HydrophobicContact CG2-CD1 3.73Å; I281-F635 HydrophobicContact CG2-CE1 3.2Å; I281-F635 HydrophobicContact CG2-CZ 3.95Å
282	E	67.8	Low	80.5	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.014	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-98.7	17.7	172.1	-65.7	-180	114.8	0	0	112.3	I278 S279 D280 R455 Y457 R474	I278-E282 HydrophobicContact CG2-CB 3.37Å; I278-E282 WeakPolarHBondContact CG2-O 3.45Å; S279-E282 PolarHBondContact N-OE2 2.85Å; S279-E282 VanDerWaalsContact N-OE2 3.14Å; S279-E282 WeakPolarHBondContact O-CA 3.4Å; S279-E282 WeakPolarHBondContact O-CB 3.28Å; S279-E282 PolarHBondContact O-N 3.35Å; S279-E282 WeakPolarHBondContact OG-CG 3.16Å; S279-E282 PolarHBondContact OG-OE2 3.24Å; D280-E282 VanDerWaalsContact C-N 3.31Å; E282-R455 WeakPolarHBondContact O-CA 3.25Å; E282-R455 WeakPolarHBondContact O-CB 3.38Å; E282-R455 PolarHBondContact O-N 3.42Å; E282-Y457 HydrophobicContact CG-CE2 4.04Å; E282-R474 IonicContact OE1-CZ 3.75Å; E282-R474 IonicContact OE1-NH1 3.88Å; E282-R474 PolarHBondContact OE1-NH1 2.81Å; E282-R474 IonicContact OE1-NH2 2.74Å; E282-R474 PolarHBondContact OE1-NH2 2.91Å
283	V	74.5	Confident	80.8	Confident	22 Å²	22	57.8 Å²	57.8	13%	0.133	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.3	172.9	179.2	0	0	0	0	109.2	N269 I278 D280 P452 V479	N269-V283 HydrophobicContact CB-CG2 3.98Å; I278-V283 HydrophobicContact CG2-CG2 4.14Å; D280-V283 PolarHBondContact O-N 3.43Å; V283-P452 HydrophobicContact CG1-CB 3.59Å; V283-V479 HydrophobicContact CG1-CG2 4.04Å; V283-V479 HydrophobicContact CG2-CG1 4.5Å; V283-V479 HydrophobicContact CG2-CG2 3.98Å
284	D	75	Confident	81.1	Confident	60 Å²	60	56.9 Å²	56.9	32%	0.321	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	141.2	170	-72.6	-28.1	0	0	0	109.7	P452 I453 R455	D284-P452 WeakPolarHBondContact O-CA 3.34Å; D284-I453 HydrophobicContact CB-CG1 4.4Å; D284-I453 PolarHBondContact N-O 3.02Å; D284-I453 PolarHBondContact O-N 3.47Å; D284-R455 VanDerWaalsContact OD1-CD 3.26Å; D284-R455 WeakPolarHBondContact OD1-CD 3.42Å; D284-R455 VanDerWaalsContact OD1-CG 3.23Å; D284-R455 WeakPolarHBondContact OD1-CG 3.49Å; D284-R455 IonicContact OD1-NE 2.7Å; D284-R455 PolarHBondContact OD1-NE 3.47Å; D284-R455 WeakPolarHBondContact OD2-CA 3.47Å; D284-R455 WeakPolarHBondContact OD2-CG 3.47Å
285	K	82	Confident	81.5	Confident	169 Å²	169	58.4 Å²	58.4	74%	0.735	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	104.8	176.9	-69.7	-176.3	-177.1	-176.9	0	109.3	V450	K285-V450 HydrophobicContact CB-CG1 3.62Å; K285-V450 HydrophobicContact CD-CG1 4.39Å; K285-V450 HydrophobicContact CG-CG1 4.03Å
286	L	84.6	Confident	81.6	Confident	49 Å²	49	53.6 Å²	53.6	26%	0.257	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	109.7	175.4	-176.8	64.9	0	0	0	110.1	L288 L294 V450 V451 I453	L286-L288 HydrophobicContact CD2-CD2 3.93Å; L286-L288 HydrophobicContact CG-CD2 3.94Å; L286-L294 HydrophobicContact CD2-CD1 3.85Å; L286-L294 HydrophobicContact CD2-CD2 3.97Å; L286-V450 CarbonylContact O-C 3.6Å; L286-V450 WeakPolarHBondContact O-CA 3.39Å; L286-V451 HydrophobicContact CB-CB 4.46Å; L286-V451 WeakPolarHBondContact CB-O 3.41Å; L286-V451 PolarHBondContact N-O 3.34Å; L286-V451 PolarHBondContact O-N 2.65Å; L286-I453 HydrophobicContact CB-CD1 3.63Å; L286-I453 HydrophobicContact CB-CG1 3.91Å; L286-I453 HydrophobicContact CD2-CD1 3.93Å; L286-I453 HydrophobicContact CG-CD1 4.27Å
287	E	88.5	Confident	81.3	Confident	161 Å²	161	55.3 Å²	55.3	75%	0.752	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.7	174.2	-62.8	-178.4	179.4	0	0	110.4	V450	E287-V450 HydrophobicContact CG-CG2 4.22Å
288	L	89.2	Confident	81	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.4	175.8	-57.4	-178.9	0	0	0	108.7	L286 G290 T292 L294 F305 P448 M449 V451	L286-L288 HydrophobicContact CD2-CD2 3.93Å; L286-L288 HydrophobicContact CG-CD2 3.94Å; L288-G290 VanDerWaalsContact C-N 3.35Å; L288-T292 HydrophobicContact CD2-CG2 4.04Å; L288-L294 HydrophobicContact CD1-CD1 4.36Å; L288-F305 HydrophobicContact CD1-CB 3.68Å; L288-P448 CarbonylContact O-C 3.58Å; L288-P448 VanDerWaalsContact O-CA 3.23Å; L288-P448 WeakPolarHBondContact O-CA 3.16Å; L288-M449 HydrophobicContact CB-CG 4.31Å; L288-M449 HydrophobicContact CD1-CG 4.13Å; L288-M449 PolarHBondContact N-O 2.83Å; L288-M449 PolarHBondContact O-N 3.4Å; L288-V451 HydrophobicContact CD1-CG2 3.55Å; L288-V451 HydrophobicContact CG-CG2 4.26Å
289	T	89.4	Confident	81.2	Confident	136 Å²	136	57.6 Å²	57.6	83%	0.834	30%	0.304	S	S	*	.	S	Bend	trans	-82.6	-13.8	178.4	54	0	0	0	0	113.4
290	G	89.9	Confident	81.5	Confident	6 Å²	6	64.6 Å²	64.6	6%	0.062	33%	0.332	C	S	.	.	S	Bend	trans	177.9	-161.9	-177.5	0	0	0	0	0	111.3	L288 T292 G306	L288-G290 VanDerWaalsContact C-N 3.35Å; G290-T292 PolarHBondContact O-N 2.82Å; G290-T292 VanDerWaalsContact O-N 3.13Å; G290-T292 PolarHBondContact O-OG1 2.93Å; G290-G306 CarbonylContact C-O 3.59Å
291	R	93.4	Very high	82.1	Confident	110 Å²	110	65.7 Å²	65.7	42%	0.415	34%	0.338	S	S	.	.			trans	-55.6	116.6	-174.8	178.8	176.9	-116.3	158.7	-1.1	111.6	F293 E304 F305 G306 V307 E446	R291-F293 HydrophobicContact CG-CE2 4.38Å; R291-E304 HydrophobicContact CG-CG 4.49Å; R291-E304 IonicContact CZ-OE1 3.34Å; R291-E304 IonicContact NE-OE1 2.66Å; R291-E304 PolarHBondContact NE-OE1 3.21Å; R291-E304 IonicContact NH2-OE1 2.72Å; R291-E304 PolarHBondContact NH2-OE1 2.96Å; R291-E304 IonicContact NH2-OE2 2.74Å; R291-F305 WeakPolarHBondContact CA-O 3.27Å; R291-G306 PolarHBondContact N-O 2.94Å; R291-V307 HydrophobicContact CB-CG1 3.91Å; R291-V307 HydrophobicContact CG-CG1 3.82Å; R291-E446 HydrophobicContact CB-CG 3.99Å
292	T	91.9	Very high	83	Confident	44 Å²	44	69.1 Å²	69.1	27%	0.27	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.4	-174.6	-54.7	0	0	0	0	110.9	L288 G290 L294 F305	L288-T292 HydrophobicContact CD2-CG2 4.04Å; G290-T292 PolarHBondContact O-N 2.82Å; G290-T292 VanDerWaalsContact O-N 3.13Å; G290-T292 PolarHBondContact O-OG1 2.93Å; T292-L294 HydrophobicContact CG2-CD2 3.87Å; T292-L294 HydrophobicContact CG2-CG 4.38Å; T292-F305 PolarHBondContact N-O 2.58Å; T292-F305 PolarHBondContact O-N 2.95Å
293	F	90.6	Very high	84	Confident	109 Å²	109	69.6 Å²	69.6	48%	0.478	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.2	176	-73	-88.6	0	0	0	110.6	R291 K302 V303 E304	R291-F293 HydrophobicContact CG-CE2 4.38Å; F293-K302 HydrophobicContact CB-CB 3.83Å; F293-K302 HydrophobicContact CB-CD 3.99Å; F293-K302 HydrophobicContact CD1-CB 4.37Å; F293-V303 CarbonylContact C-O 3.56Å; F293-V303 WeakPolarHBondContact CA-O 3.36Å; F293-E304 HydrophobicContact CD1-CB 4.17Å; F293-E304 HydrophobicContact CE1-CB 3.76Å; F293-E304 HydrophobicContact CE1-CG 4.15Å; F293-E304 HydrophobicContact CZ-CB 4.26Å; F293-E304 HydrophobicContact CZ-CG 4.15Å
294	L	85.1	Confident	84.9	Confident	27 Å²	27	71.3 Å²	71.3	14%	0.141	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.6	-179.2	-60.4	179.6	0	0	0	111.1	L286 L288 T292 K302 V303 F305 V451	L286-L294 HydrophobicContact CD2-CD1 3.85Å; L286-L294 HydrophobicContact CD2-CD2 3.97Å; L288-L294 HydrophobicContact CD1-CD1 4.36Å; T292-L294 HydrophobicContact CG2-CD2 3.87Å; T292-L294 HydrophobicContact CG2-CG 4.38Å; L294-K302 WeakPolarHBondContact O-CA 3.24Å; L294-V303 PolarHBondContact N-O 3.06Å; L294-V303 PolarHBondContact O-N 2.7Å; L294-F305 HydrophobicContact CB-CD2 3.87Å; L294-F305 HydrophobicContact CB-CE2 4.04Å; L294-F305 HydrophobicContact CD1-CB 4.45Å; L294-F305 HydrophobicContact CD1-CD2 3.71Å; L294-F305 HydrophobicContact CD1-CE2 4.18Å; L294-F305 HydrophobicContact CD1-CG 4.16Å; L294-F305 HydrophobicContact CG-CD2 3.89Å; L294-F305 HydrophobicContact CG-CE2 4.47Å; L294-V451 HydrophobicContact CD1-CG1 4.4Å
295	S	81.8	Confident	85.7	Confident	40 Å²	40	68.9 Å²	68.9	28%	0.28	35%	0.347	S	S	.	.			trans	-78.6	121.4	169	-65.7	0	0	0	0	109.3
296	V	81.6	Confident	86.2	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.042	31%	0.312	C	S	.	.			trans	-111.3	134.7	178.9	179.7	0	0	0	0	109.1	G298 Y299 V303 F305 F425 V478	V296-G298 PolarHBondContact O-N 3.48Å; V296-Y299 HydrophobicContact CB-CD2 3.88Å; V296-Y299 HydrophobicContact CG1-CD2 3.66Å; V296-Y299 HydrophobicContact CG1-CE2 3.9Å; V296-Y299 PolarHBondContact O-N 2.93Å; V296-V303 HydrophobicContact CB-CG2 4.13Å; V296-V303 HydrophobicContact CG2-CB 3.94Å; V296-V303 HydrophobicContact CG2-CG2 3.81Å; V296-F305 HydrophobicContact CG2-CE2 4.07Å; V296-F305 HydrophobicContact CG2-CZ 4.38Å; V296-F425 HydrophobicContact CB-CD2 4.44Å; V296-F425 HydrophobicContact CB-CE2 4.36Å; V296-F425 HydrophobicContact CG1-CD2 3.98Å; V296-F425 HydrophobicContact CG1-CE2 3.62Å; V296-F425 HydrophobicContact CG2-CD2 4.36Å; V296-F425 HydrophobicContact CG2-CE2 4.14Å; V296-V478 HydrophobicContact CG2-CG2 4.16Å
297	P	73.4	Confident	86.7	Confident	36 Å²	36	58.9 Å²	58.9	23%	0.234	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	135.7	174.7	-26.3	36.4	0	0	0	113	Y299 S475 D477	P297-Y299 VanDerWaalsContact C-N 3.34Å; P297-Y299 WeakPolarHBondContact O-CD2 3.35Å; P297-S475 WeakPolarHBondContact CG-O 3.45Å; P297-D477 HydrophobicContact CG-CB 4.18Å
298	G	75.8	Confident	86.9	Confident	39 Å²	39	51.7 Å²	51.7	40%	0.402	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	3.2	-179.8	0	0	0	0	0	115.2	V296 K423	V296-G298 PolarHBondContact O-N 3.48Å; G298-K423 PolarHBondContact O-NZ 3.27Å
299	Y	81.3	Confident	87.2	Confident	22 Å²	22	51.5 Å²	51.5	9%	0.086	27%	0.268	C	S	.	.			trans	-117.9	136.1	175.1	-64.8	-93.4	0	0	0	110.6	V296 P297 V303 K423 R424 F425 T468	V296-Y299 HydrophobicContact CB-CD2 3.88Å; V296-Y299 HydrophobicContact CG1-CD2 3.66Å; V296-Y299 HydrophobicContact CG1-CE2 3.9Å; V296-Y299 PolarHBondContact O-N 2.93Å; P297-Y299 VanDerWaalsContact C-N 3.34Å; P297-Y299 WeakPolarHBondContact O-CD2 3.35Å; Y299-V303 HydrophobicContact CD1-CG2 4.47Å; Y299-V303 HydrophobicContact CG-CG2 4.28Å; Y299-K423 HydrophobicContact CE1-CB 3.81Å; Y299-K423 HydrophobicContact CE1-CD 4.07Å; Y299-K423 WeakPolarHBondContact OH-CB 3.2Å; Y299-R424 VanDerWaalsContact OH-CG 3.27Å; Y299-R424 WeakPolarHBondContact OH-CG 3.38Å; Y299-R424 PolarHBondContact OH-N 2.9Å; Y299-F425 HydrophobicContact CD1-CB 4.27Å; Y299-F425 HydrophobicContact CD2-CD2 4.1Å; Y299-F425 HydrophobicContact CE1-CB 3.62Å; Y299-F425 HydrophobicContact CE1-CD2 4.11Å; Y299-F425 HydrophobicContact CE1-CG 4.35Å; Y299-F425 AromaticContact CE2-CD2 3.46Å; Y299-F425 HydrophobicContact CE2-CD2 3.46Å; Y299-F425 VanDerWaalsContact CE2-CD2 3.46Å; Y299-F425 HydrophobicContact CE2-CE2 4.15Å; Y299-F425 HydrophobicContact CE2-CG 4.44Å; Y299-F425 AromaticContact CZ-CD2 3.43Å; Y299-F425 VanDerWaalsContact CZ-CD2 3.43Å; Y299-F425 AromaticContact CZ-CG 4Å; Y299-F425 WeakPolarHBondContact OH-CD2 3.36Å; Y299-F425 PolarHBondContact OH-N 3.3Å; Y299-T468 WeakPolarHBondContact O-CB 3.32Å; Y299-T468 WeakPolarHBondContact O-CG2 3.27Å
300	K	77	Confident	87.6	Confident	161 Å²	161	45.2 Å²	45.2	70%	0.7	23%	0.23	S	C	*	.	S	Bend	trans	-74.3	-44.5	176.5	-73.9	-172.4	174.8	-179.7	0	111.7
301	D	83.7	Confident	87.9	Confident	116 Å²	116	44.9 Å²	44.9	62%	0.62	23%	0.227	S	C	*	.	S	Bend	trans	-90.2	154	179.9	-57.2	-50.4	0	0	0	111.3
302	K	86.2	Confident	87.9	Confident	121 Å²	121	39.7 Å²	39.7	53%	0.526	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-68.8	142.3	171.9	-64.4	-175.6	176	-176.7	0	109.9	F293 L294	F293-K302 HydrophobicContact CB-CB 3.83Å; F293-K302 HydrophobicContact CB-CD 3.99Å; F293-K302 HydrophobicContact CD1-CB 4.37Å; L294-K302 WeakPolarHBondContact O-CA 3.24Å
303	V	89.3	Confident	88.1	Confident	13 Å²	13	37.6 Å²	37.6	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.2	-179.5	-179.8	0	0	0	0	109.5	F293 L294 V296 Y299 F305 F425	F293-V303 CarbonylContact C-O 3.56Å; F293-V303 WeakPolarHBondContact CA-O 3.36Å; L294-V303 PolarHBondContact N-O 3.06Å; L294-V303 PolarHBondContact O-N 2.7Å; V296-V303 HydrophobicContact CB-CG2 4.13Å; V296-V303 HydrophobicContact CG2-CB 3.94Å; V296-V303 HydrophobicContact CG2-CG2 3.81Å; Y299-V303 HydrophobicContact CD1-CG2 4.47Å; Y299-V303 HydrophobicContact CG-CG2 4.28Å; V303-F305 HydrophobicContact CB-CD2 4.44Å; V303-F305 HydrophobicContact CB-CE2 3.72Å; V303-F305 HydrophobicContact CB-CZ 4.37Å; V303-F305 HydrophobicContact CG1-CD2 4.24Å; V303-F305 HydrophobicContact CG1-CE2 3.51Å; V303-F305 HydrophobicContact CG1-CZ 3.78Å; V303-F305 WeakPolarHBondContact O-CD2 3.42Å; V303-F425 HydrophobicContact CB-CG 4.47Å; V303-F425 HydrophobicContact CG1-CB 3.79Å; V303-F425 HydrophobicContact CG1-CD1 3.79Å; V303-F425 HydrophobicContact CG1-CD2 4.19Å; V303-F425 HydrophobicContact CG1-CE1 4.45Å; V303-F425 HydrophobicContact CG1-CG 3.66Å; V303-F425 HydrophobicContact CG2-CB 3.87Å; V303-F425 HydrophobicContact CG2-CD2 4Å; V303-F425 HydrophobicContact CG2-CG 4.04Å
304	E	93	Very high	88.2	Confident	58 Å²	58	34.4 Å²	34.4	27%	0.271	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.5	179.1	-173.1	179.5	-123.8	0	0	111.7	R291 F293 V307 R428	R291-E304 HydrophobicContact CG-CG 4.49Å; R291-E304 IonicContact CZ-OE1 3.34Å; R291-E304 IonicContact NE-OE1 2.66Å; R291-E304 PolarHBondContact NE-OE1 3.21Å; R291-E304 IonicContact NH2-OE1 2.72Å; R291-E304 PolarHBondContact NH2-OE1 2.96Å; R291-E304 IonicContact NH2-OE2 2.74Å; F293-E304 HydrophobicContact CD1-CB 4.17Å; F293-E304 HydrophobicContact CE1-CB 3.76Å; F293-E304 HydrophobicContact CE1-CG 4.15Å; F293-E304 HydrophobicContact CZ-CB 4.26Å; F293-E304 HydrophobicContact CZ-CG 4.15Å; E304-V307 HydrophobicContact CG-CG1 4.24Å; E304-V307 HydrophobicContact CG-CG2 4.14Å; E304-R428 PolarHBondContact O-NH1 2.91Å
305	F	93.2	Very high	88.6	Confident	8 Å²	8	33.5 Å²	33.5	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	172.3	171.9	-65.5	-87.6	0	0	0	109.9	L288 R291 T292 L294 V296 V303 F425 M449 V451 V478	L288-F305 HydrophobicContact CD1-CB 3.68Å; R291-F305 WeakPolarHBondContact CA-O 3.27Å; T292-F305 PolarHBondContact N-O 2.58Å; T292-F305 PolarHBondContact O-N 2.95Å; L294-F305 HydrophobicContact CB-CD2 3.87Å; L294-F305 HydrophobicContact CB-CE2 4.04Å; L294-F305 HydrophobicContact CD1-CB 4.45Å; L294-F305 HydrophobicContact CD1-CD2 3.71Å; L294-F305 HydrophobicContact CD1-CE2 4.18Å; L294-F305 HydrophobicContact CD1-CG 4.16Å; L294-F305 HydrophobicContact CG-CD2 3.89Å; L294-F305 HydrophobicContact CG-CE2 4.47Å; V296-F305 HydrophobicContact CG2-CE2 4.07Å; V296-F305 HydrophobicContact CG2-CZ 4.38Å; V303-F305 HydrophobicContact CB-CD2 4.44Å; V303-F305 HydrophobicContact CB-CE2 3.72Å; V303-F305 HydrophobicContact CB-CZ 4.37Å; V303-F305 HydrophobicContact CG1-CD2 4.24Å; V303-F305 HydrophobicContact CG1-CE2 3.51Å; V303-F305 HydrophobicContact CG1-CZ 3.78Å; V303-F305 WeakPolarHBondContact O-CD2 3.42Å; F305-F425 HydrophobicContact CE1-CE1 4.23Å; F305-F425 HydrophobicContact CZ-CD1 4.5Å; F305-F425 AromaticContact CZ-CE1 3.9Å; F305-F425 HydrophobicContact CZ-CE1 3.9Å; F305-F425 AromaticContact CZ-CZ 3.95Å; F305-F425 HydrophobicContact CZ-CZ 3.95Å; F305-M449 HydrophobicContact CB-SD 4.33Å; F305-V451 HydrophobicContact CB-CG2 4.27Å; F305-V451 HydrophobicContact CD1-CG2 4Å; F305-V451 HydrophobicContact CG-CG2 4.27Å; F305-V478 HydrophobicContact CE1-CG1 4.37Å; F305-V478 HydrophobicContact CE1-CG2 4.31Å; F305-V478 HydrophobicContact CE2-CG2 4.31Å; F305-V478 HydrophobicContact CZ-CG1 4.5Å; F305-V478 HydrophobicContact CZ-CG2 3.74Å
306	G	92.3	Very high	88.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	74.6	27.7	179.8	0	0	0	0	0	113.8	G290 R291 N447 M449	G290-G306 CarbonylContact C-O 3.59Å; R291-G306 PolarHBondContact N-O 2.94Å; G306-N447 CarbonylContact C-O 3.58Å; G306-N447 VanDerWaalsContact C-O 3.22Å; G306-N447 VanDerWaalsContact CA-O 3.28Å; G306-N447 WeakPolarHBondContact CA-O 3.29Å; G306-N447 PolarHBondContact O-N 2.84Å; G306-M449 PolarHBondContact N-SD 2.9Å
307	V	94.1	Very high	88.3	Confident	8 Å²	8	39 Å²	39	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.9	176.6	-62.3	0	0	0	0	110.2	R291 E304 V309 V444 V445	R291-V307 HydrophobicContact CB-CG1 3.91Å; R291-V307 HydrophobicContact CG-CG1 3.82Å; E304-V307 HydrophobicContact CG-CG1 4.24Å; E304-V307 HydrophobicContact CG-CG2 4.14Å; V307-V309 HydrophobicContact CG2-CG2 4.49Å; V307-V444 HydrophobicContact CB-CG1 3.81Å; V307-V444 HydrophobicContact CG1-CG1 4.14Å; V307-V444 HydrophobicContact CG2-CG1 4.27Å; V307-V445 CarbonylContact C-O 3.59Å; V307-V445 VanDerWaalsContact CA-O 3.29Å; V307-V445 WeakPolarHBondContact CA-O 3.34Å
308	L	93.8	Very high	88.4	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.052	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.4	172.9	-172.5	71.8	0	0	0	108.1	A325 T327 F376 V444 V445 N447	L308-A325 HydrophobicContact CD1-CB 4.04Å; L308-A325 HydrophobicContact CD2-CB 3.85Å; L308-A325 HydrophobicContact CG-CB 3.89Å; L308-T327 HydrophobicContact CD1-CG2 3.99Å; L308-F376 HydrophobicContact CD1-CE1 4.32Å; L308-F376 HydrophobicContact CD1-CZ 4.42Å; L308-F376 HydrophobicContact CD2-CE1 4.45Å; L308-F376 HydrophobicContact CD2-CZ 4.36Å; L308-V444 WeakPolarHBondContact O-CA 3.48Å; L308-V445 HydrophobicContact CB-CG2 3.97Å; L308-V445 HydrophobicContact CD2-CG2 4.47Å; L308-V445 PolarHBondContact N-O 3.33Å; L308-V445 PolarHBondContact O-N 2.73Å; L308-N447 HydrophobicContact CB-CB 3.69Å
309	V	95.3	Very high	88.6	Confident	10 Å²	10	46.4 Å²	46.4	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.2	-178.2	-171.5	0	0	0	0	109.2	V307 A325 T326 V329 F441 V444	V307-V309 HydrophobicContact CG2-CG2 4.49Å; V309-A325 WeakPolarHBondContact O-CA 3.26Å; V309-T326 PolarHBondContact N-O 3.42Å; V309-T326 PolarHBondContact O-N 3.45Å; V309-V329 HydrophobicContact CB-CG2 3.48Å; V309-V329 VanDerWaalsContact CB-CG2 3.48Å; V309-V329 HydrophobicContact CG1-CG2 3.66Å; V309-V329 HydrophobicContact CG2-CG2 3.65Å; V309-F441 HydrophobicContact CG1-CD2 4.19Å; V309-F441 HydrophobicContact CG1-CE2 3.79Å; V309-V444 HydrophobicContact CB-CG2 4.38Å; V309-V444 HydrophobicContact CG1-CG2 3.99Å; V309-V444 HydrophobicContact CG2-CG2 4.01Å
310	S	96.5	Very high	89	Confident	4 Å²	4	49 Å²	49	3%	0.028	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.7	175.2	-61.6	0	0	0	0	110	V324 V442 E443	S310-V324 VanDerWaalsContact CA-O 3.29Å; S310-V324 WeakPolarHBondContact CA-O 3.39Å; S310-V442 WeakPolarHBondContact O-CB 3.22Å; S310-V442 PolarHBondContact O-N 2.93Å; S310-E443 PolarHBondContact N-O 2.89Å; S310-E443 PolarHBondContact O-N 3.04Å
311	F	96	Very high	89.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.5	176.4	73.6	-85.2	0	0	0	111.2	Y313 V323 V324 T326 M332 K382 L435 L440	F311-Y313 HydrophobicContact CD2-CE2 4.42Å; F311-Y313 AromaticContact CE2-CD2 3.88Å; F311-Y313 HydrophobicContact CE2-CD2 3.88Å; F311-Y313 HydrophobicContact CE2-CE1 4.32Å; F311-Y313 AromaticContact CE2-CE2 3.32Å; F311-Y313 HydrophobicContact CE2-CE2 3.32Å; F311-Y313 AromaticContact CE2-CZ 3.56Å; F311-Y313 HydrophobicContact CZ-CD2 4.44Å; F311-Y313 AromaticContact CZ-CE2 3.6Å; F311-Y313 HydrophobicContact CZ-CE2 3.6Å; F311-Y313 AromaticContact CZ-CZ 3.95Å; F311-V323 CarbonylContact O-C 3.57Å; F311-V323 WeakPolarHBondContact O-CA 3.46Å; F311-V324 HydrophobicContact CD1-CG2 3.93Å; F311-V324 HydrophobicContact CD2-CG2 4.26Å; F311-V324 HydrophobicContact CE1-CG2 3.48Å; F311-V324 VanDerWaalsContact CE1-CG2 3.48Å; F311-V324 HydrophobicContact CE2-CG2 3.85Å; F311-V324 HydrophobicContact CG-CG2 4.3Å; F311-V324 HydrophobicContact CZ-CG2 3.44Å; F311-V324 VanDerWaalsContact CZ-CG2 3.44Å; F311-V324 PolarHBondContact N-O 3.25Å; F311-V324 PolarHBondContact O-N 2.83Å; F311-T326 HydrophobicContact CD1-CG2 4.34Å; F311-T326 HydrophobicContact CE1-CG2 3.76Å; F311-M332 HydrophobicContact CD2-SD 4.4Å; F311-M332 HydrophobicContact CE2-CE 3.79Å; F311-M332 HydrophobicContact CE2-SD 3.81Å; F311-M332 HydrophobicContact CZ-CB 3.91Å; F311-M332 HydrophobicContact CZ-CE 4.32Å; F311-M332 HydrophobicContact CZ-SD 4.05Å; F311-K382 HydrophobicContact CE1-CD 4.4Å; F311-K382 HydrophobicContact CZ-CD 4.28Å; F311-L435 HydrophobicContact CB-CD1 3.87Å; F311-L435 HydrophobicContact CD1-CD1 4.47Å; F311-L435 HydrophobicContact CD2-CD1 4.11Å; F311-L435 HydrophobicContact CD2-CD2 4.14Å; F311-L435 HydrophobicContact CG-CD1 3.9Å; F311-L440 CarbonylContact C-O 3.59Å; F311-L440 WeakPolarHBondContact CA-O 3.29Å
312	A	94.9	Very high	90.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137	-172	0	0	0	0	0	113	R321 I322 V323 L440	A312-R321 HydrophobicContact CB-CB 4.08Å; A312-R321 HydrophobicContact CB-CG 4.07Å; A312-I322 CarbonylContact C-O 3.49Å; A312-I322 VanDerWaalsContact CA-O 3.3Å; A312-I322 WeakPolarHBondContact CA-O 3.21Å; A312-V323 HydrophobicContact CB-CG2 4.2Å; A312-L440 HydrophobicContact CB-CD2 4.41Å; A312-L440 PolarHBondContact N-O 3.41Å
313	Y	95.1	Very high	90.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.1	166.5	-81.8	-75.1	0	0	0	110.1	F311 R321 I322 V324 M332 D335 V338 H357 P358 I364	F311-Y313 HydrophobicContact CD2-CE2 4.42Å; F311-Y313 AromaticContact CE2-CD2 3.88Å; F311-Y313 HydrophobicContact CE2-CD2 3.88Å; F311-Y313 HydrophobicContact CE2-CE1 4.32Å; F311-Y313 AromaticContact CE2-CE2 3.32Å; F311-Y313 HydrophobicContact CE2-CE2 3.32Å; F311-Y313 AromaticContact CE2-CZ 3.56Å; F311-Y313 HydrophobicContact CZ-CD2 4.44Å; F311-Y313 AromaticContact CZ-CE2 3.6Å; F311-Y313 HydrophobicContact CZ-CE2 3.6Å; F311-Y313 AromaticContact CZ-CZ 3.95Å; Y313-R321 CarbonylContact O-C 3.54Å; Y313-R321 VanDerWaalsContact O-CA 3.23Å; Y313-R321 WeakPolarHBondContact O-CA 3.37Å; Y313-I322 PolarHBondContact N-O 2.93Å; Y313-I322 PolarHBondContact O-N 2.83Å; Y313-V324 HydrophobicContact CD2-CG1 4.23Å; Y313-V324 HydrophobicContact CD2-CG2 3.97Å; Y313-V324 HydrophobicContact CE2-CG2 3.87Å; Y313-M332 HydrophobicContact CE1-CE 3.81Å; Y313-M332 WeakPolarHBondContact OH-CE 3.49Å; Y313-D335 PolarHBondContact OH-OD2 3.09Å; Y313-V338 HydrophobicContact CD2-CG2 3.88Å; Y313-V338 HydrophobicContact CE2-CG2 4.14Å; Y313-V338 HydrophobicContact CG-CG2 4.49Å; Y313-H357 AromaticContact CE1-CD2 3.94Å; Y313-P358 HydrophobicContact CD1-CG 4.12Å; Y313-P358 HydrophobicContact CE1-CG 4.11Å; Y313-I364 HydrophobicContact CE1-CD1 4.29Å
314	P	93.6	Very high	91	Very high	43 Å²	43	37.9 Å²	37.9	28%	0.279	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	135.9	170.3	-19.7	31.4	0	0	0	111.3	C355 V356 L440	P314-C355 CarbonylContact O-C 3.55Å; P314-C355 WeakPolarHBondContact O-CA 3.45Å; P314-C355 WeakPolarHBondContact O-CB 3.41Å; P314-V356 PolarHBondContact O-N 3.49Å; P314-L440 HydrophobicContact CG-CD1 4.34Å; P314-L440 HydrophobicContact CG-CD2 4.07Å
315	I	92.6	Very high	91	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.036	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-78.6	136.4	174.4	-59	-58.9	0	0	0	109.4	S317 A318 E320 I322 L350 K353 C355 I366	I315-S317 PolarHBondContact O-N 2.87Å; I315-A318 HydrophobicContact CB-CB 4.32Å; I315-A318 HydrophobicContact CG2-CB 4.07Å; I315-E320 HydrophobicContact CB-CB 4.41Å; I315-E320 WeakPolarHBondContact CB-O 3.39Å; I315-E320 HydrophobicContact CG1-CB 4.2Å; I315-E320 HydrophobicContact CG1-CG 4.36Å; I315-E320 WeakPolarHBondContact CG1-O 3.28Å; I315-E320 PolarHBondContact N-O 2.92Å; I315-I322 HydrophobicContact CD1-CB 4.1Å; I315-I322 HydrophobicContact CD1-CG2 3.88Å; I315-L350 HydrophobicContact CD1-CD1 4.33Å; I315-L350 HydrophobicContact CD1-CD2 4.12Å; I315-L350 HydrophobicContact CG1-CD2 4.16Å; I315-K353 HydrophobicContact CG2-CD 4.32Å; I315-C355 HydrophobicContact CD1-CB 4.21Å; I315-I366 HydrophobicContact CD1-CD1 3.56Å
316	D	84.2	Confident	91.1	Very high	43 Å²	43	35.9 Å²	35.9	23%	0.23	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	129.2	176.4	-174	30.3	0	0	0	109.7	A318 W354 V356 K363	D316-A318 VanDerWaalsContact C-N 3.27Å; D316-A318 PolarHBondContact O-N 2.93Å; D316-W354 HydrophobicContact CB-CB 3.93Å; D316-W354 WeakPolarHBondContact CB-O 3.28Å; D316-W354 PolarHBondContact N-O 3.46Å; D316-V356 HydrophobicContact CB-CG2 4.11Å; D316-K363 VanDerWaalsContact CG-NZ 3.33Å; D316-K363 IonicContact OD1-NZ 3.85Å; D316-K363 PolarHBondContact OD1-NZ 3.37Å; D316-K363 WeakPolarHBondContact OD2-CD 3.46Å; D316-K363 WeakPolarHBondContact OD2-CE 3.22Å; D316-K363 IonicContact OD2-NZ 3.72Å; D316-K363 PolarHBondContact OD2-NZ 3.38Å
317	S	73.7	Confident	91.1	Very high	119 Å²	119	37.8 Å²	37.8	83%	0.832	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	20	177.4	-46.7	0	0	0	0	116	I315	I315-S317 PolarHBondContact O-N 2.87Å
318	A	74.2	Confident	91.1	Very high	45 Å²	45	39.4 Å²	39.4	37%	0.372	22%	0.218	S	C	.	.	S	Bend	trans	-141.6	148.2	171.8	0	0	0	0	0	111.5	I315 D316 E320	I315-A318 HydrophobicContact CB-CB 4.32Å; I315-A318 HydrophobicContact CG2-CB 4.07Å; D316-A318 VanDerWaalsContact C-N 3.27Å; D316-A318 PolarHBondContact O-N 2.93Å; A318-E320 HydrophobicContact CB-CB 4.18Å; A318-E320 PolarHBondContact O-N 3.35Å
319	D	80.8	Confident	91.1	Very high	187 Å²	187	39 Å²	39	100%	1	22%	0.216	S	C	*	.	S	Bend	trans	-80	44.4	170.4	-161.1	21.4	0	0	0	111
320	E	89.8	Confident	91.1	Very high	76 Å²	76	38.6 Å²	38.6	36%	0.355	21%	0.213	S	C	.	.			trans	-122.9	157.5	-178.4	-171.2	173	-161.4	0	0	109.1	I315 A318 H349	I315-E320 HydrophobicContact CB-CB 4.41Å; I315-E320 WeakPolarHBondContact CB-O 3.39Å; I315-E320 HydrophobicContact CG1-CB 4.2Å; I315-E320 HydrophobicContact CG1-CG 4.36Å; I315-E320 WeakPolarHBondContact CG1-O 3.28Å; I315-E320 PolarHBondContact N-O 2.92Å; A318-E320 HydrophobicContact CB-CB 4.18Å; A318-E320 PolarHBondContact O-N 3.35Å; E320-H349 IonicContact OE1-CD2 3.57Å; E320-H349 IonicContact OE1-CE1 3.77Å; E320-H349 IonicContact OE1-NE2 2.72Å; E320-H349 PolarHBondContact OE1-NE2 3.24Å; E320-H349 IonicContact OE2-CD2 3.59Å; E320-H349 IonicContact OE2-NE2 3.52Å
321	R	92.3	Very high	91	Very high	142 Å²	142	38.5 Å²	38.5	54%	0.536	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.4	178.9	66.8	-169.8	-179.7	174.1	-0.7	110.7	A312 Y313	A312-R321 HydrophobicContact CB-CB 4.08Å; A312-R321 HydrophobicContact CB-CG 4.07Å; Y313-R321 CarbonylContact O-C 3.54Å; Y313-R321 VanDerWaalsContact O-CA 3.23Å; Y313-R321 WeakPolarHBondContact O-CA 3.37Å
322	I	93.9	Very high	90.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.5	170.9	-172.6	165.4	0	0	0	109.4	A312 Y313 I315 V338 V340 Y347 L350 I366 A380	A312-I322 CarbonylContact C-O 3.49Å; A312-I322 VanDerWaalsContact CA-O 3.3Å; A312-I322 WeakPolarHBondContact CA-O 3.21Å; Y313-I322 PolarHBondContact N-O 2.93Å; Y313-I322 PolarHBondContact O-N 2.83Å; I315-I322 HydrophobicContact CD1-CB 4.1Å; I315-I322 HydrophobicContact CD1-CG2 3.88Å; I322-V338 HydrophobicContact CD1-CG1 3.89Å; I322-V340 HydrophobicContact CD1-CG1 3.89Å; I322-Y347 HydrophobicContact CD1-CD1 4.05Å; I322-Y347 HydrophobicContact CD1-CE1 4.23Å; I322-Y347 HydrophobicContact CG1-CD1 4.31Å; I322-Y347 HydrophobicContact CG1-CE1 4.04Å; I322-L350 HydrophobicContact CB-CD1 4.11Å; I322-L350 HydrophobicContact CD1-CD1 3.94Å; I322-L350 HydrophobicContact CG1-CD1 4.26Å; I322-I366 HydrophobicContact CD1-CD1 4.28Å; I322-I366 HydrophobicContact CG2-CD1 4.37Å; I322-A380 HydrophobicContact CD1-CB 3.93Å; I322-A380 HydrophobicContact CG1-CB 4.05Å
323	V	95.1	Very high	90.9	Very high	34 Å²	34	38.6 Å²	38.6	21%	0.206	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.5	179.1	-170.5	0	0	0	0	108.9	F311 A312 T378 V442	F311-V323 CarbonylContact O-C 3.57Å; F311-V323 WeakPolarHBondContact O-CA 3.46Å; A312-V323 HydrophobicContact CB-CG2 4.2Å; V323-T378 HydrophobicContact CB-CG2 4.17Å; V323-T378 HydrophobicContact CG1-CG2 3.86Å; V323-T378 VanDerWaalsContact O-CB 3.29Å; V323-T378 WeakPolarHBondContact O-CB 3.37Å; V323-T378 PolarHBondContact O-OG1 2.78Å; V323-V442 HydrophobicContact CG1-CB 4.33Å; V323-V442 HydrophobicContact CG1-CG2 3.77Å; V323-V442 HydrophobicContact CG2-CG2 4.21Å
324	V	95.8	Very high	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.6	174.7	-60.6	0	0	0	0	110	S310 F311 Y313 V338 A380 K382	S310-V324 VanDerWaalsContact CA-O 3.29Å; S310-V324 WeakPolarHBondContact CA-O 3.39Å; F311-V324 HydrophobicContact CD1-CG2 3.93Å; F311-V324 HydrophobicContact CD2-CG2 4.26Å; F311-V324 HydrophobicContact CE1-CG2 3.48Å; F311-V324 VanDerWaalsContact CE1-CG2 3.48Å; F311-V324 HydrophobicContact CE2-CG2 3.85Å; F311-V324 HydrophobicContact CG-CG2 4.3Å; F311-V324 HydrophobicContact CZ-CG2 3.44Å; F311-V324 VanDerWaalsContact CZ-CG2 3.44Å; F311-V324 PolarHBondContact N-O 3.25Å; F311-V324 PolarHBondContact O-N 2.83Å; Y313-V324 HydrophobicContact CD2-CG1 4.23Å; Y313-V324 HydrophobicContact CD2-CG2 3.97Å; Y313-V324 HydrophobicContact CE2-CG2 3.87Å; V324-V338 HydrophobicContact CG1-CG1 3.67Å; V324-V338 HydrophobicContact CG1-CG2 4.25Å; V324-A380 WeakPolarHBondContact CA-O 3.44Å; V324-A380 HydrophobicContact CG1-CB 4.14Å; V324-K382 HydrophobicContact CG2-CB 4.4Å
325	A	94.3	Very high	90.9	Very high	10 Å²	10	36.5 Å²	36.5	8%	0.083	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.3	175.6	0	0	0	0	0	110.9	L308 V309 T378	L308-A325 HydrophobicContact CD1-CB 4.04Å; L308-A325 HydrophobicContact CD2-CB 3.85Å; L308-A325 HydrophobicContact CG-CB 3.89Å; V309-A325 WeakPolarHBondContact O-CA 3.26Å; A325-T378 HydrophobicContact CB-CG2 4.38Å
326	T	94.6	Very high	91	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.092	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150.6	177.6	-169.4	0	0	0	0	113.6	V309 F311 R328 V329 K382	V309-T326 PolarHBondContact N-O 3.42Å; V309-T326 PolarHBondContact O-N 3.45Å; F311-T326 HydrophobicContact CD1-CG2 4.34Å; F311-T326 HydrophobicContact CE1-CG2 3.76Å; T326-R328 PolarHBondContact OG1-N 3.1Å; T326-R328 VanDerWaalsContact OG1-N 3.17Å; T326-V329 HydrophobicContact CG2-CG2 4Å; T326-K382 HydrophobicContact CG2-CD 4.11Å; T326-K382 VanDerWaalsContact OG1-CE 3.24Å; T326-K382 WeakPolarHBondContact OG1-CE 3.32Å
327	T	92.8	Very high	91.6	Very high	39 Å²	39	34.4 Å²	34.4	24%	0.239	19%	0.188	C	C	.	.	S	Bend	trans	-86.4	-10.2	170.6	57.6	0	0	0	0	112.8	L308 M449	L308-T327 HydrophobicContact CD1-CG2 3.99Å; T327-M449 HydrophobicContact CG2-CE 4.46Å; T327-M449 HydrophobicContact CG2-SD 4.45Å
328	R	93.8	Very high	92.7	Very high	43 Å²	43	28.8 Å²	28.8	16%	0.162	15%	0.149	C	C	.	.			trans	-132	70.4	-171.8	-61.8	179.7	66.9	-163.3	-0.2	111.8	T326 E330 T331 H387 E480	T326-R328 PolarHBondContact OG1-N 3.1Å; T326-R328 VanDerWaalsContact OG1-N 3.17Å; R328-E330 VanDerWaalsContact C-N 3.26Å; R328-E330 VanDerWaalsContact C-OE2 3.31Å; R328-E330 PolarHBondContact O-N 2.65Å; R328-T331 HydrophobicContact CB-CG2 4Å; R328-T331 PolarHBondContact O-N 2.9Å; R328-T331 PolarHBondContact O-OG1 3.04Å; R328-H387 PolarHBondContact NH1-O 3.01Å; R328-E480 IonicContact CZ-OE1 3.95Å; R328-E480 IonicContact NH1-OE1 3.58Å; R328-E480 IonicContact NH2-OE1 3.68Å; R328-E480 PolarHBondContact NH2-OE1 3.48Å; R328-E480 IonicContact NH2-OE2 2.74Å; R328-E480 PolarHBondContact NH2-OE2 3.46Å
329	V	94.7	Very high	93.7	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-56.3	-37.8	-176.6	178.6	0	0	0	0	112.6	V309 T326 T331 M332 V431 L435	V309-V329 HydrophobicContact CB-CG2 3.48Å; V309-V329 VanDerWaalsContact CB-CG2 3.48Å; V309-V329 HydrophobicContact CG1-CG2 3.66Å; V309-V329 HydrophobicContact CG2-CG2 3.65Å; T326-V329 HydrophobicContact CG2-CG2 4Å; V329-T331 PolarHBondContact O-N 3.42Å; V329-T331 VanDerWaalsContact O-N 3.15Å; V329-M332 VanDerWaalsContact O-CB 3.22Å; V329-M332 WeakPolarHBondContact O-CB 3.38Å; V329-M332 WeakPolarHBondContact O-CG 3.4Å; V329-M332 PolarHBondContact O-N 2.97Å; V329-V431 HydrophobicContact CG1-CB 4.25Å; V329-V431 HydrophobicContact CG1-CG1 3.63Å; V329-L435 HydrophobicContact CG1-CD1 3.85Å
330	E	94.3	Very high	94.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.4	178.4	68.6	-78.7	-171.5	0	0	113.7	R328 M332 F406 R428	R328-E330 VanDerWaalsContact C-N 3.26Å; R328-E330 VanDerWaalsContact C-OE2 3.31Å; R328-E330 PolarHBondContact O-N 2.65Å; E330-M332 PolarHBondContact O-N 2.73Å; E330-F406 HydrophobicContact CG-CE1 4.15Å; E330-F406 HydrophobicContact CG-CZ 3.69Å; E330-R428 HydrophobicContact CB-CB 4.05Å; E330-R428 VanDerWaalsContact CD-NE 3.3Å; E330-R428 HydrophobicContact CG-CB 4.41Å; E330-R428 IonicContact OE1-CZ 3.55Å; E330-R428 IonicContact OE1-NE 2.72Å; E330-R428 PolarHBondContact OE1-NE 3.35Å; E330-R428 IonicContact OE1-NH2 3.74Å; E330-R428 PolarHBondContact OE1-NH2 3.47Å; E330-R428 WeakPolarHBondContact OE2-CB 3.45Å; E330-R428 VanDerWaalsContact OE2-CG 3.27Å; E330-R428 WeakPolarHBondContact OE2-CG 3.22Å; E330-R428 IonicContact OE2-CZ 2.66Å; E330-R428 IonicContact OE2-NE 3.53Å; E330-R428 PolarHBondContact OE2-NE 2.81Å; E330-R428 IonicContact OE2-NH2 3.49Å
331	T	94.8	Very high	94.7	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.012	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-75.1	-13.1	179	61.1	0	0	0	0	112.5	R328 V329 L333 G334 K382 T384 H387 F406	R328-T331 HydrophobicContact CB-CG2 4Å; R328-T331 PolarHBondContact O-N 2.9Å; R328-T331 PolarHBondContact O-OG1 3.04Å; V329-T331 PolarHBondContact O-N 3.42Å; V329-T331 VanDerWaalsContact O-N 3.15Å; T331-L333 PolarHBondContact O-N 3.45Å; T331-G334 PolarHBondContact O-N 2.93Å; T331-K382 WeakPolarHBondContact OG1-CE 3.26Å; T331-K382 PolarHBondContact OG1-NZ 3.33Å; T331-T384 WeakPolarHBondContact O-CG2 3.47Å; T331-T384 PolarHBondContact O-OG1 2.97Å; T331-H387 HydrophobicContact CG2-CB 4.22Å; T331-F406 HydrophobicContact CG2-CE2 3.96Å; T331-F406 HydrophobicContact CG2-CZ 3.96Å
332	M	94.7	Very high	94.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-56.1	-28.9	179.7	82.9	158.9	-74.5	0	0	112.8	F311 Y313 V329 E330 G334 D335 H357 P358 F359 K382 V431 L435	F311-M332 HydrophobicContact CD2-SD 4.4Å; F311-M332 HydrophobicContact CE2-CE 3.79Å; F311-M332 HydrophobicContact CE2-SD 3.81Å; F311-M332 HydrophobicContact CZ-CB 3.91Å; F311-M332 HydrophobicContact CZ-CE 4.32Å; F311-M332 HydrophobicContact CZ-SD 4.05Å; Y313-M332 HydrophobicContact CE1-CE 3.81Å; Y313-M332 WeakPolarHBondContact OH-CE 3.49Å; V329-M332 VanDerWaalsContact O-CB 3.22Å; V329-M332 WeakPolarHBondContact O-CB 3.38Å; V329-M332 WeakPolarHBondContact O-CG 3.4Å; V329-M332 PolarHBondContact O-N 2.97Å; E330-M332 PolarHBondContact O-N 2.73Å; M332-G334 PolarHBondContact O-N 3.48Å; M332-G334 VanDerWaalsContact O-N 3.09Å; M332-D335 VanDerWaalsContact CA-CG 3.49Å; M332-D335 WeakPolarHBondContact CA-OD1 3.41Å; M332-D335 WeakPolarHBondContact CA-OD2 3.45Å; M332-D335 VanDerWaalsContact O-CB 3.23Å; M332-D335 WeakPolarHBondContact O-CB 3.34Å; M332-D335 PolarHBondContact O-N 2.76Å; M332-H357 VanDerWaalsContact CE-NE2 3.33Å; M332-H357 WeakPolarHBondContact CE-NE2 3.43Å; M332-H357 PolarHBondContact O-NE2 3.01Å; M332-P358 HydrophobicContact CE-CB 4.44Å; M332-P358 HydrophobicContact CE-CG 3.83Å; M332-F359 HydrophobicContact CE-CD2 4.13Å; M332-F359 HydrophobicContact CE-CE2 4.16Å; M332-F359 HydrophobicContact SD-CD2 4.14Å; M332-F359 HydrophobicContact SD-CE2 3.73Å; M332-K382 HydrophobicContact CB-CD 4.24Å; M332-V431 HydrophobicContact CG-CG1 4.09Å; M332-V431 HydrophobicContact SD-CG1 3.9Å; M332-L435 HydrophobicContact SD-CD1 4.12Å; M332-L435 HydrophobicContact SD-CD2 4.22Å; M332-L435 HydrophobicContact SD-CG 4.49Å
333	L	94.6	Very high	94.7	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-61.2	-21.8	-178.8	-59.3	172.2	0	0	0	112	T331 F359 L360 R362 M412 C416 F419 V431	T331-L333 PolarHBondContact O-N 3.45Å; L333-F359 HydrophobicContact CD2-CB 4.39Å; L333-F359 HydrophobicContact CD2-CD2 3.95Å; L333-L360 VanDerWaalsContact O-CD1 3.27Å; L333-L360 WeakPolarHBondContact O-CD1 3.35Å; L333-R362 PolarHBondContact O-NH2 2.72Å; L333-M412 HydrophobicContact CB-CE 4.42Å; L333-M412 HydrophobicContact CD1-CE 3.44Å; L333-M412 VanDerWaalsContact CD1-CE 3.44Å; L333-M412 HydrophobicContact CG-CE 4.5Å; L333-C416 HydrophobicContact CB-CB 4.42Å; L333-C416 HydrophobicContact CD1-CB 4.1Å; L333-F419 HydrophobicContact CD1-CB 3.97Å; L333-F419 HydrophobicContact CD1-CD2 3.63Å; L333-F419 HydrophobicContact CD1-CE2 4.41Å; L333-F419 HydrophobicContact CD1-CG 3.99Å; L333-F419 HydrophobicContact CD2-CD2 3.6Å; L333-F419 HydrophobicContact CD2-CE2 3.71Å; L333-F419 HydrophobicContact CG-CD2 4.29Å; L333-V431 HydrophobicContact CD1-CG2 3.92Å; L333-V431 HydrophobicContact CG-CG2 4.44Å
334	G	93.2	Very high	94.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-100.2	8.3	175.8	0	0	0	0	0	114.5	T331 M332 T336 R362 C405	T331-G334 PolarHBondContact O-N 2.93Å; M332-G334 PolarHBondContact O-N 3.48Å; M332-G334 VanDerWaalsContact O-N 3.09Å; G334-T336 PolarHBondContact O-N 3.1Å; G334-R362 VanDerWaalsContact C-NH2 3.34Å; G334-C405 WeakPolarHBondContact CA-SG 3.25Å; G334-C405 PolarHBondContact N-SG 3.39Å
335	D	95.4	Very high	94.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.			trans	-65.3	128.2	-173.5	-74.1	-6	0	0	0	113.1	Y313 M332 R362 I364 K382 I383 T384	Y313-D335 PolarHBondContact OH-OD2 3.09Å; M332-D335 VanDerWaalsContact CA-CG 3.49Å; M332-D335 WeakPolarHBondContact CA-OD1 3.41Å; M332-D335 WeakPolarHBondContact CA-OD2 3.45Å; M332-D335 VanDerWaalsContact O-CB 3.23Å; M332-D335 WeakPolarHBondContact O-CB 3.34Å; M332-D335 PolarHBondContact O-N 2.76Å; D335-R362 VanDerWaalsContact N-NH2 3.11Å; D335-R362 PolarHBondContact O-NE 2.94Å; D335-R362 PolarHBondContact O-NH2 3.13Å; D335-I364 HydrophobicContact CB-CD1 3.92Å; D335-I364 WeakPolarHBondContact O-CD1 3.2Å; D335-K382 IonicContact OD1-NZ 3.78Å; D335-K382 WeakPolarHBondContact OD2-CB 3.46Å; D335-K382 WeakPolarHBondContact OD2-CD 3.49Å; D335-I383 WeakPolarHBondContact CA-O 3.44Å; D335-T384 PolarHBondContact OD1-OG1 3.45Å
336	T	94.8	Very high	94.4	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.037	13%	0.132	C	C	.	.			trans	-117.7	-7.2	-178.3	54.8	0	0	0	0	113.3	G334 P365 I383 P385 P401 V403	G334-T336 PolarHBondContact O-N 3.1Å; T336-P365 VanDerWaalsContact O-CD 3.24Å; T336-P365 WeakPolarHBondContact O-CD 3.23Å; T336-I383 PolarHBondContact N-O 3.38Å; T336-P385 WeakPolarHBondContact OG1-CD 3.32Å; T336-P385 WeakPolarHBondContact OG1-CG 2.89Å; T336-P401 HydrophobicContact CG2-CB 4Å; T336-P401 HydrophobicContact CG2-CG 4.48Å; T336-P401 WeakPolarHBondContact CG2-O 3.48Å; T336-P401 PolarHBondContact OG1-O 2.85Å; T336-V403 HydrophobicContact CG2-CB 4.34Å; T336-V403 HydrophobicContact CG2-CG2 3.81Å
337	A	96.1	Very high	94.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	167.6	163.9	0	0	0	0	0	111.2	I364 P365 V367 I383 L400	A337-I364 VanDerWaalsContact C-CG2 3.47Å; A337-P365 CarbonylContact C-O 3.51Å; A337-P365 VanDerWaalsContact CA-O 3.26Å; A337-P365 WeakPolarHBondContact CA-O 3.38Å; A337-P365 HydrophobicContact CB-CG 4.2Å; A337-P365 WeakPolarHBondContact CB-O 3.49Å; A337-V367 HydrophobicContact CB-CG1 4.21Å; A337-V367 HydrophobicContact CB-CG2 3.96Å; A337-I383 HydrophobicContact CB-CB 4.09Å; A337-I383 HydrophobicContact CB-CG1 4.33Å; A337-I383 WeakPolarHBondContact O-CB 3.45Å; A337-I383 PolarHBondContact O-N 2.99Å; A337-L400 HydrophobicContact CB-CD1 3.39Å; A337-L400 HydrophobicContact CB-CD2 4.03Å; A337-L400 HydrophobicContact CB-CG 4.38Å
338	V	96.3	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.4	155.9	175.3	0	0	0	0	107.2	Y313 I322 V324 P365 I366 V367 A380 V381	Y313-V338 HydrophobicContact CD2-CG2 3.88Å; Y313-V338 HydrophobicContact CE2-CG2 4.14Å; Y313-V338 HydrophobicContact CG-CG2 4.49Å; I322-V338 HydrophobicContact CD1-CG1 3.89Å; V324-V338 HydrophobicContact CG1-CG1 3.67Å; V324-V338 HydrophobicContact CG1-CG2 4.25Å; V338-P365 PolarHBondContact N-O 3.05Å; V338-I366 HydrophobicContact CB-CG1 4.42Å; V338-I366 CarbonylContact O-C 3.59Å; V338-I366 VanDerWaalsContact O-CA 3.28Å; V338-I366 WeakPolarHBondContact O-CA 3.49Å; V338-V367 PolarHBondContact O-N 3.14Å; V338-A380 HydrophobicContact CG1-CB 4.34Å; V338-V381 CarbonylContact C-O 3.33Å; V338-V381 WeakPolarHBondContact CA-O 3.47Å
339	A	95.8	Very high	93.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.4	177.3	0	0	0	0	0	111	V367 V372 A380 V381 I383	A339-V367 WeakPolarHBondContact CA-O 3.44Å; A339-V367 HydrophobicContact CB-CG2 4.01Å; A339-V372 HydrophobicContact CB-CG2 3.57Å; A339-A380 WeakPolarHBondContact O-CA 3.26Å; A339-V381 PolarHBondContact N-O 2.95Å; A339-V381 PolarHBondContact O-N 3.5Å; A339-I383 HydrophobicContact CB-CD1 3.67Å; A339-I383 HydrophobicContact CB-CG1 3.64Å
340	V	96.2	Very high	93.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.9	170.1	-63.4	0	0	0	0	109.8	I322 Y347 I366 V367 T368 D369 A380	I322-V340 HydrophobicContact CD1-CG1 3.89Å; V340-Y347 HydrophobicContact CB-CD2 4.07Å; V340-Y347 HydrophobicContact CB-CG 4.29Å; V340-Y347 HydrophobicContact CG1-CD2 3.72Å; V340-Y347 HydrophobicContact CG1-CE2 4.41Å; V340-Y347 HydrophobicContact CG1-CG 3.77Å; V340-I366 HydrophobicContact CG1-CG2 4.4Å; V340-I366 HydrophobicContact CG2-CG2 4.16Å; V340-V367 PolarHBondContact N-O 3.2Å; V340-T368 HydrophobicContact CG2-CG2 4.21Å; V340-T368 CarbonylContact O-C 3.53Å; V340-T368 VanDerWaalsContact O-CA 3.27Å; V340-T368 WeakPolarHBondContact O-CA 3.39Å; V340-D369 PolarHBondContact O-N 2.84Å; V340-A380 HydrophobicContact CG1-CB 3.79Å
341	H	95.3	Very high	93.6	Very high	33 Å²	33	37.7 Å²	37.7	15%	0.153	18%	0.179	C	C	.	.			trans	-71	136.2	175.2	-168.9	-86.8	0	0	0	110	D343 D344 V372 M374	H341-D343 IonicContact CE1-OD2 3.96Å; H341-D343 PolarHBondContact CE1-OD2 3.28Å; H341-D343 PolarHBondContact ND1-N 3.5Å; H341-D343 VanDerWaalsContact ND1-N 3.14Å; H341-D343 PolarHBondContact O-N 2.88Å; H341-D343 VanDerWaalsContact O-N 3.16Å; H341-D344 HydrophobicContact CB-CB 4.22Å; H341-D344 WeakPolarHBondContact O-CB 3.24Å; H341-D344 PolarHBondContact O-N 3.36Å; H341-V372 HydrophobicContact CB-CB 4.27Å; H341-V372 PolarHBondContact CD2-O 3.03Å; H341-M374 HydrophobicContact CB-CG 3.56Å; H341-M374 HydrophobicContact CB-SD 4.22Å
342	P	93.7	Very high	93.2	Very high	43 Å²	43	44 Å²	44	28%	0.279	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.3	-177.9	20.5	-32.7	0	0	0	114	H351 P370	P342-H351 PolarHBondContact O-CE1 3.4Å; P342-P370 HydrophobicContact CG-CG 4.47Å
343	D	93.4	Very high	93.2	Very high	125 Å²	125	47.8 Å²	47.8	67%	0.668	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	6.6	-179.9	-57.1	-45.8	0	0	0	113.8	H341 P345	H341-D343 IonicContact CE1-OD2 3.96Å; H341-D343 PolarHBondContact CE1-OD2 3.28Å; H341-D343 PolarHBondContact ND1-N 3.5Å; H341-D343 VanDerWaalsContact ND1-N 3.14Å; H341-D343 PolarHBondContact O-N 2.88Å; H341-D343 VanDerWaalsContact O-N 3.16Å; D343-P345 WeakPolarHBondContact O-CD 3.46Å
344	D	93.2	Very high	93.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	25%	0.25	C	S	.	.			trans	-75.6	110.3	178.9	-164.5	-26.6	0	0	0	111.3	H341 R346 Y347 R348 M374	H341-D344 HydrophobicContact CB-CB 4.22Å; H341-D344 WeakPolarHBondContact O-CB 3.24Å; H341-D344 PolarHBondContact O-N 3.36Å; D344-R346 PolarHBondContact O-N 3.37Å; D344-R346 VanDerWaalsContact O-N 3.12Å; D344-R346 VanDerWaalsContact OD1-CB 3.26Å; D344-R346 WeakPolarHBondContact OD1-CB 3.25Å; D344-R346 WeakPolarHBondContact OD1-CG 3.35Å; D344-R346 IonicContact OD1-CZ 3.84Å; D344-R346 PolarHBondContact OD1-N 2.9Å; D344-R346 IonicContact OD1-NE 2.98Å; D344-R346 PolarHBondContact OD1-NE 2.98Å; D344-R346 IonicContact OD1-NH2 3.8Å; D344-R346 IonicContact OD2-CZ 3.33Å; D344-R346 IonicContact OD2-NE 3.17Å; D344-R346 PolarHBondContact OD2-NE 2.74Å; D344-R346 VanDerWaalsContact OD2-NE 3.17Å; D344-R346 IonicContact OD2-NH2 2.67Å; D344-R346 PolarHBondContact OD2-NH2 3.49Å; D344-Y347 HydrophobicContact CB-CD2 4.22Å; D344-Y347 PolarHBondContact O-N 3.47Å; D344-R348 PolarHBondContact O-N 3.34Å; D344-M374 HydrophobicContact CB-CE 3.95Å; D344-M374 HydrophobicContact CB-CG 4.2Å; D344-M374 HydrophobicContact CB-SD 4.32Å
345	P	92.2	Very high	93.1	Very high	102 Å²	102	53.5 Å²	53.5	66%	0.662	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.1	-177.5	27.9	-35.2	0	0	0	112.4	D343 Y347	D343-P345 WeakPolarHBondContact O-CD 3.46Å; P345-Y347 VanDerWaalsContact C-N 3.29Å; P345-Y347 PolarHBondContact O-N 2.94Å
346	R	91.7	Very high	93	Very high	116 Å²	116	55.6 Å²	55.6	44%	0.438	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.7	-179.4	-60.7	174.9	-68.5	-172.9	-3	113.1	D344 H349 M374 T378	D344-R346 PolarHBondContact O-N 3.37Å; D344-R346 VanDerWaalsContact O-N 3.12Å; D344-R346 VanDerWaalsContact OD1-CB 3.26Å; D344-R346 WeakPolarHBondContact OD1-CB 3.25Å; D344-R346 WeakPolarHBondContact OD1-CG 3.35Å; D344-R346 IonicContact OD1-CZ 3.84Å; D344-R346 PolarHBondContact OD1-N 2.9Å; D344-R346 IonicContact OD1-NE 2.98Å; D344-R346 PolarHBondContact OD1-NE 2.98Å; D344-R346 IonicContact OD1-NH2 3.8Å; D344-R346 IonicContact OD2-CZ 3.33Å; D344-R346 IonicContact OD2-NE 3.17Å; D344-R346 PolarHBondContact OD2-NE 2.74Å; D344-R346 VanDerWaalsContact OD2-NE 3.17Å; D344-R346 IonicContact OD2-NH2 2.67Å; D344-R346 PolarHBondContact OD2-NH2 3.49Å; R346-H349 PolarHBondContact O-CE1 2.87Å; R346-M374 PolarHBondContact NH2-O 2.87Å; R346-T378 PolarHBondContact NH1-O 3.02Å
347	Y	92.4	Very high	92.9	Very high	27 Å²	27	55.4 Å²	55.4	11%	0.106	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	5.2	-172	-56.2	-58.5	0	0	0	113.9	I322 V340 D344 P345 H349 L350 H351 T378 A380	I322-Y347 HydrophobicContact CD1-CD1 4.05Å; I322-Y347 HydrophobicContact CD1-CE1 4.23Å; I322-Y347 HydrophobicContact CG1-CD1 4.31Å; I322-Y347 HydrophobicContact CG1-CE1 4.04Å; V340-Y347 HydrophobicContact CB-CD2 4.07Å; V340-Y347 HydrophobicContact CB-CG 4.29Å; V340-Y347 HydrophobicContact CG1-CD2 3.72Å; V340-Y347 HydrophobicContact CG1-CE2 4.41Å; V340-Y347 HydrophobicContact CG1-CG 3.77Å; D344-Y347 HydrophobicContact CB-CD2 4.22Å; D344-Y347 PolarHBondContact O-N 3.47Å; P345-Y347 VanDerWaalsContact C-N 3.29Å; P345-Y347 PolarHBondContact O-N 2.94Å; Y347-H349 PolarHBondContact O-N 3.47Å; Y347-H349 VanDerWaalsContact O-N 3.13Å; Y347-L350 HydrophobicContact CD1-CD1 4.07Å; Y347-L350 WeakPolarHBondContact O-CA 3.42Å; Y347-L350 WeakPolarHBondContact O-CB 3.37Å; Y347-L350 PolarHBondContact O-N 2.9Å; Y347-H351 PolarHBondContact O-CD2 3.23Å; Y347-H351 PolarHBondContact O-N 2.89Å; Y347-T378 WeakPolarHBondContact CE2-O 3.4Å; Y347-T378 PolarHBondContact OH-O 3.03Å; Y347-A380 HydrophobicContact CE1-CB 4.5Å; Y347-A380 HydrophobicContact CE2-CB 3.99Å
348	R	89.3	Confident	92.7	Very high	195 Å²	195	56 Å²	56	74%	0.736	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-56.1	-32.8	-178.1	-166.1	174.4	-179.1	171.9	2.3	113.6	D344 L350	D344-R348 PolarHBondContact O-N 3.34Å; R348-L350 VanDerWaalsContact C-N 3.27Å; R348-L350 PolarHBondContact O-N 3.34Å
349	H	90.5	Very high	92.5	Very high	89 Å²	89	57.5 Å²	57.5	41%	0.412	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-78.2	-6.7	176.4	66.7	-65.9	0	0	0	114.1	E320 R346 Y347 K353	E320-H349 IonicContact OE1-CD2 3.57Å; E320-H349 IonicContact OE1-CE1 3.77Å; E320-H349 IonicContact OE1-NE2 2.72Å; E320-H349 PolarHBondContact OE1-NE2 3.24Å; E320-H349 IonicContact OE2-CD2 3.59Å; E320-H349 IonicContact OE2-NE2 3.52Å; R346-H349 PolarHBondContact O-CE1 2.87Å; Y347-H349 PolarHBondContact O-N 3.47Å; Y347-H349 VanDerWaalsContact O-N 3.13Å; H349-K353 WeakPolarHBondContact O-CE 3.1Å; H349-K353 PolarHBondContact O-NZ 3.34Å
350	L	89.8	Confident	92.1	Very high	2 Å²	2	60 Å²	60	1%	0.01	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-105.1	-1.8	178.4	-60.2	-178.2	0	0	0	113.4	I315 I322 Y347 R348 N352 K353 I366	I315-L350 HydrophobicContact CD1-CD1 4.33Å; I315-L350 HydrophobicContact CD1-CD2 4.12Å; I315-L350 HydrophobicContact CG1-CD2 4.16Å; I322-L350 HydrophobicContact CB-CD1 4.11Å; I322-L350 HydrophobicContact CD1-CD1 3.94Å; I322-L350 HydrophobicContact CG1-CD1 4.26Å; Y347-L350 HydrophobicContact CD1-CD1 4.07Å; Y347-L350 WeakPolarHBondContact O-CA 3.42Å; Y347-L350 WeakPolarHBondContact O-CB 3.37Å; Y347-L350 PolarHBondContact O-N 2.9Å; R348-L350 VanDerWaalsContact C-N 3.27Å; R348-L350 PolarHBondContact O-N 3.34Å; L350-N352 PolarHBondContact O-N 2.98Å; L350-K353 HydrophobicContact CD2-CD 3.96Å; L350-K353 WeakPolarHBondContact O-CB 3.36Å; L350-K353 PolarHBondContact O-N 2.9Å; L350-K353 VanDerWaalsContact O-N 3.11Å; L350-I366 HydrophobicContact CB-CD1 4.02Å; L350-I366 HydrophobicContact CB-CG2 4.48Å; L350-I366 WeakPolarHBondContact O-CB 3.34Å; L350-I366 WeakPolarHBondContact O-CG2 3.23Å
351	H	91.6	Very high	91.5	Very high	49 Å²	49	62.7 Å²	62.7	23%	0.227	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	132.4	176.9	-66.5	-175	0	0	0	111.1	P342 Y347 K353 T368	P342-H351 PolarHBondContact O-CE1 3.4Å; Y347-H351 PolarHBondContact O-CD2 3.23Å; Y347-H351 PolarHBondContact O-N 2.89Å; H351-K353 PolarHBondContact O-N 2.84Å; H351-K353 VanDerWaalsContact O-N 3.08Å; H351-T368 HydrophobicContact CB-CG2 4.3Å
352	N	88	Confident	91.2	Very high	134 Å²	134	64.3 Å²	64.3	72%	0.717	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	13.9	-178.7	-55.6	-45.5	0	0	0	114.8	L350 I366	L350-N352 PolarHBondContact O-N 2.98Å; N352-I366 PolarHBondContact N-O 3.18Å
353	K	93.1	Very high	91.1	Very high	79 Å²	79	67.6 Å²	67.6	34%	0.343	33%	0.328	S	S	.	.			trans	-82.1	171.5	168.8	-69.3	-166.1	179.6	159.9	0	110.7	I315 H349 L350 H351 I366	I315-K353 HydrophobicContact CG2-CD 4.32Å; H349-K353 WeakPolarHBondContact O-CE 3.1Å; H349-K353 PolarHBondContact O-NZ 3.34Å; L350-K353 HydrophobicContact CD2-CD 3.96Å; L350-K353 WeakPolarHBondContact O-CB 3.36Å; L350-K353 PolarHBondContact O-N 2.9Å; L350-K353 VanDerWaalsContact O-N 3.11Å; H351-K353 PolarHBondContact O-N 2.84Å; H351-K353 VanDerWaalsContact O-N 3.08Å; K353-I366 HydrophobicContact CB-CD1 4.38Å; K353-I366 WeakPolarHBondContact O-CB 3.3Å; K353-I366 PolarHBondContact O-N 3.48Å
354	W	93.6	Very high	91.2	Very high	122 Å²	122	61.7 Å²	61.7	46%	0.462	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.5	177.7	-63.2	77.9	0	0	0	109.4	D316 K363 I364 P365	D316-W354 HydrophobicContact CB-CB 3.93Å; D316-W354 WeakPolarHBondContact CB-O 3.28Å; D316-W354 PolarHBondContact N-O 3.46Å; W354-K363 HydrophobicContact CE3-CB 3.78Å; W354-K363 HydrophobicContact CZ3-CB 4.36Å; W354-I364 CarbonylContact C-O 3.37Å; W354-I364 WeakPolarHBondContact CA-O 3.08Å; W354-P365 HydrophobicContact CD2-CB 4.4Å; W354-P365 HydrophobicContact CE3-CB 4.12Å; W354-P365 HydrophobicContact CH2-CB 4.21Å; W354-P365 HydrophobicContact CZ2-CB 4.45Å; W354-P365 HydrophobicContact CZ3-CB 4.05Å; W354-P365 HydrophobicContact CZ3-CG 4.21Å
355	C	93.3	Very high	91.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	157.3	167.6	64.4	0	0	0	0	109.9	P314 I315 K363 I364	P314-C355 CarbonylContact O-C 3.55Å; P314-C355 WeakPolarHBondContact O-CA 3.45Å; P314-C355 WeakPolarHBondContact O-CB 3.41Å; I315-C355 HydrophobicContact CD1-CB 4.21Å; C355-K363 CarbonylContact O-C 3.55Å; C355-K363 WeakPolarHBondContact O-CA 3.38Å; C355-I364 PolarHBondContact N-O 2.86Å; C355-I364 PolarHBondContact O-N 3.35Å; C355-I364 PolarHBondContact SG-O 3.38Å
356	V	92.8	Very high	91.4	Very high	45 Å²	45	58 Å²	58	27%	0.273	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.7	-178.9	-177.3	0	0	0	0	109.1	P314 D316 P358	P314-V356 PolarHBondContact O-N 3.49Å; D316-V356 HydrophobicContact CB-CG2 4.11Å; V356-P358 WeakPolarHBondContact O-CD 3.4Å
357	H	93.4	Very high	91.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	26%	0.257	C	S	.	.			trans	-65.2	122.4	177.2	-171.2	-90.9	0	0	0	110.7	Y313 M332 F359 L360 G361 R362 I364	Y313-H357 AromaticContact CE1-CD2 3.94Å; M332-H357 VanDerWaalsContact CE-NE2 3.33Å; M332-H357 WeakPolarHBondContact CE-NE2 3.43Å; M332-H357 PolarHBondContact O-NE2 3.01Å; H357-F359 PolarHBondContact ND1-N 3.31Å; H357-F359 PolarHBondContact O-N 3.07Å; H357-L360 WeakPolarHBondContact ND1-CB 3.46Å; H357-L360 WeakPolarHBondContact ND1-CG 3.37Å; H357-L360 PolarHBondContact ND1-N 2.89Å; H357-L360 PolarHBondContact O-N 3.46Å; H357-G361 PolarHBondContact O-N 3.31Å; H357-R362 HydrophobicContact CB-CB 4.09Å; H357-R362 VanDerWaalsContact CB-O 3.3Å; H357-R362 WeakPolarHBondContact CB-O 3.47Å; H357-R362 PolarHBondContact N-O 2.73Å; H357-I364 HydrophobicContact CB-CD1 3.71Å; H357-I364 HydrophobicContact CB-CG1 4.4Å
358	P	90.4	Very high	91.8	Very high	12 Å²	12	54.1 Å²	54.1	8%	0.078	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.4	-170.6	-31.4	35.3	0	0	0	115.7	Y313 M332 V356 L435 K438 L440	Y313-P358 HydrophobicContact CD1-CG 4.12Å; Y313-P358 HydrophobicContact CE1-CG 4.11Å; M332-P358 HydrophobicContact CE-CB 4.44Å; M332-P358 HydrophobicContact CE-CG 3.83Å; V356-P358 WeakPolarHBondContact O-CD 3.4Å; P358-L435 HydrophobicContact CB-CD2 4.4Å; P358-L435 HydrophobicContact CG-CD2 4.38Å; P358-K438 PolarHBondContact O-NZ 3.13Å; P358-L440 HydrophobicContact CB-CD1 3.69Å; P358-L440 HydrophobicContact CG-CD1 3.79Å
359	F	91.8	Very high	92	Very high	32 Å²	32	45 Å²	45	14%	0.14	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-18	-171.7	-55.4	-63.7	0	0	0	115	M332 L333 H357 F419 V431 A434 L435 K438	M332-F359 HydrophobicContact CE-CD2 4.13Å; M332-F359 HydrophobicContact CE-CE2 4.16Å; M332-F359 HydrophobicContact SD-CD2 4.14Å; M332-F359 HydrophobicContact SD-CE2 3.73Å; L333-F359 HydrophobicContact CD2-CB 4.39Å; L333-F359 HydrophobicContact CD2-CD2 3.95Å; H357-F359 PolarHBondContact ND1-N 3.31Å; H357-F359 PolarHBondContact O-N 3.07Å; F359-F419 HydrophobicContact CB-CE2 3.98Å; F359-F419 HydrophobicContact CD1-CE2 4.04Å; F359-F419 HydrophobicContact CD1-CZ 4.06Å; F359-F419 AromaticContact CD2-CE2 3.86Å; F359-F419 HydrophobicContact CD2-CE2 3.86Å; F359-F419 HydrophobicContact CD2-CZ 4.27Å; F359-F419 HydrophobicContact CE1-CZ 4.15Å; F359-F419 HydrophobicContact CE2-CE2 4.36Å; F359-F419 HydrophobicContact CE2-CZ 4.34Å; F359-F419 AromaticContact CG-CE2 3.68Å; F359-F419 HydrophobicContact CG-CE2 3.68Å; F359-F419 HydrophobicContact CG-CZ 4.12Å; F359-F419 HydrophobicContact CZ-CZ 4.28Å; F359-V431 HydrophobicContact CE2-CG1 3.84Å; F359-V431 HydrophobicContact CZ-CG1 4.45Å; F359-A434 HydrophobicContact CE1-CB 3.59Å; F359-A434 HydrophobicContact CZ-CB 3.74Å; F359-L435 HydrophobicContact CE2-CD2 3.81Å; F359-L435 HydrophobicContact CE2-CG 3.99Å; F359-L435 HydrophobicContact CZ-CD2 3.71Å; F359-L435 HydrophobicContact CZ-CG 3.77Å; F359-K438 HydrophobicContact CE1-CD 4.12Å
360	L	88.7	Confident	92.1	Very high	51 Å²	51	45.3 Å²	45.3	27%	0.267	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-3.7	-167.1	-59.1	174.4	0	0	0	113.1	L333 H357 R362	L333-L360 VanDerWaalsContact O-CD1 3.27Å; L333-L360 WeakPolarHBondContact O-CD1 3.35Å; H357-L360 WeakPolarHBondContact ND1-CB 3.46Å; H357-L360 WeakPolarHBondContact ND1-CG 3.37Å; H357-L360 PolarHBondContact ND1-N 2.89Å; H357-L360 PolarHBondContact O-N 3.46Å; L360-R362 PolarHBondContact O-N 3.44Å
361	G	82.8	Confident	92.2	Very high	58 Å²	58	49.2 Å²	49.2	60%	0.598	26%	0.257	S	S	*	.			trans	65.8	-1.1	-178.7	0	0	0	0	0	115.1	H357	H357-G361 PolarHBondContact O-N 3.31Å
362	R	89.9	Confident	92.3	Very high	66 Å²	66	47 Å²	47	25%	0.249	25%	0.247	C	C	.	.			trans	-62.4	131.4	175.1	179.6	170.2	67.6	-142.7	-10.5	110.2	L333 G334 D335 H357 L360 I364	L333-R362 PolarHBondContact O-NH2 2.72Å; G334-R362 VanDerWaalsContact C-NH2 3.34Å; D335-R362 VanDerWaalsContact N-NH2 3.11Å; D335-R362 PolarHBondContact O-NE 2.94Å; D335-R362 PolarHBondContact O-NH2 3.13Å; H357-R362 HydrophobicContact CB-CB 4.09Å; H357-R362 VanDerWaalsContact CB-O 3.3Å; H357-R362 WeakPolarHBondContact CB-O 3.47Å; H357-R362 PolarHBondContact N-O 2.73Å; L360-R362 PolarHBondContact O-N 3.44Å; R362-I364 HydrophobicContact CG-CG1 4.14Å
363	K	92.2	Very high	92.5	Very high	113 Å²	113	44.9 Å²	44.9	49%	0.491	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.9	166.7	-65.9	-169.9	178.3	-167.7	0	109.4	D316 W354 C355	D316-K363 VanDerWaalsContact CG-NZ 3.33Å; D316-K363 IonicContact OD1-NZ 3.85Å; D316-K363 PolarHBondContact OD1-NZ 3.37Å; D316-K363 WeakPolarHBondContact OD2-CD 3.46Å; D316-K363 WeakPolarHBondContact OD2-CE 3.22Å; D316-K363 IonicContact OD2-NZ 3.72Å; D316-K363 PolarHBondContact OD2-NZ 3.38Å; W354-K363 HydrophobicContact CE3-CB 3.78Å; W354-K363 HydrophobicContact CZ3-CB 4.36Å; C355-K363 CarbonylContact O-C 3.55Å; C355-K363 WeakPolarHBondContact O-CA 3.38Å
364	I	94	Very high	92.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.8	-174.8	-64.1	174.7	0	0	0	108.1	Y313 D335 A337 W354 C355 H357 R362	Y313-I364 HydrophobicContact CE1-CD1 4.29Å; D335-I364 HydrophobicContact CB-CD1 3.92Å; D335-I364 WeakPolarHBondContact O-CD1 3.2Å; A337-I364 VanDerWaalsContact C-CG2 3.47Å; W354-I364 CarbonylContact C-O 3.37Å; W354-I364 WeakPolarHBondContact CA-O 3.08Å; C355-I364 PolarHBondContact N-O 2.86Å; C355-I364 PolarHBondContact O-N 3.35Å; C355-I364 PolarHBondContact SG-O 3.38Å; H357-I364 HydrophobicContact CB-CD1 3.71Å; H357-I364 HydrophobicContact CB-CG1 4.4Å; R362-I364 HydrophobicContact CG-CG1 4.14Å
365	P	95.6	Very high	92.4	Very high	27 Å²	27	43.4 Å²	43.4	18%	0.175	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	148.8	-179.7	30.3	-36	0	0	0	112.2	T336 A337 V338 W354 V367 L400	T336-P365 VanDerWaalsContact O-CD 3.24Å; T336-P365 WeakPolarHBondContact O-CD 3.23Å; A337-P365 CarbonylContact C-O 3.51Å; A337-P365 VanDerWaalsContact CA-O 3.26Å; A337-P365 WeakPolarHBondContact CA-O 3.38Å; A337-P365 HydrophobicContact CB-CG 4.2Å; A337-P365 WeakPolarHBondContact CB-O 3.49Å; V338-P365 PolarHBondContact N-O 3.05Å; W354-P365 HydrophobicContact CD2-CB 4.4Å; W354-P365 HydrophobicContact CE3-CB 4.12Å; W354-P365 HydrophobicContact CH2-CB 4.21Å; W354-P365 HydrophobicContact CZ2-CB 4.45Å; W354-P365 HydrophobicContact CZ3-CB 4.05Å; W354-P365 HydrophobicContact CZ3-CG 4.21Å; P365-V367 HydrophobicContact CB-CG1 4.37Å; P365-V367 HydrophobicContact CG-CG1 4.45Å; P365-L400 HydrophobicContact CG-CD2 4.32Å
366	I	95.3	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.8	168.2	-57	177.4	0	0	0	107.9	I315 I322 V338 V340 L350 N352 K353	I315-I366 HydrophobicContact CD1-CD1 3.56Å; I322-I366 HydrophobicContact CD1-CD1 4.28Å; I322-I366 HydrophobicContact CG2-CD1 4.37Å; V338-I366 HydrophobicContact CB-CG1 4.42Å; V338-I366 CarbonylContact O-C 3.59Å; V338-I366 VanDerWaalsContact O-CA 3.28Å; V338-I366 WeakPolarHBondContact O-CA 3.49Å; V340-I366 HydrophobicContact CG1-CG2 4.4Å; V340-I366 HydrophobicContact CG2-CG2 4.16Å; L350-I366 HydrophobicContact CB-CD1 4.02Å; L350-I366 HydrophobicContact CB-CG2 4.48Å; L350-I366 WeakPolarHBondContact O-CB 3.34Å; L350-I366 WeakPolarHBondContact O-CG2 3.23Å; N352-I366 PolarHBondContact N-O 3.18Å; K353-I366 HydrophobicContact CB-CD1 4.38Å; K353-I366 WeakPolarHBondContact O-CB 3.3Å; K353-I366 PolarHBondContact O-N 3.48Å
367	V	95.4	Very high	92	Very high	16 Å²	16	48 Å²	48	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	152.7	-177	-59.5	0	0	0	0	110.9	A337 V338 A339 V340 P365	A337-V367 HydrophobicContact CB-CG1 4.21Å; A337-V367 HydrophobicContact CB-CG2 3.96Å; V338-V367 PolarHBondContact O-N 3.14Å; A339-V367 WeakPolarHBondContact CA-O 3.44Å; A339-V367 HydrophobicContact CB-CG2 4.01Å; V340-V367 PolarHBondContact N-O 3.2Å; P365-V367 HydrophobicContact CB-CG1 4.37Å; P365-V367 HydrophobicContact CG-CG1 4.45Å
368	T	95.6	Very high	91.9	Very high	44 Å²	44	49 Å²	49	27%	0.27	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.5	172.9	55.7	0	0	0	0	109.9	V340 H351 H398	V340-T368 HydrophobicContact CG2-CG2 4.21Å; V340-T368 CarbonylContact O-C 3.53Å; V340-T368 VanDerWaalsContact O-CA 3.27Å; V340-T368 WeakPolarHBondContact O-CA 3.39Å; H351-T368 HydrophobicContact CB-CG2 4.3Å; T368-H398 PolarHBondContact O-CE1 3.22Å; T368-H398 VanDerWaalsContact O-CE1 3.24Å
369	D	94.8	Very high	91.9	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	28%	0.279	C	S	.	.			trans	-138.1	131.7	176.6	-161.7	-71.9	0	0	0	111.1	V340 F371 V372 V394 R397 H398	V340-D369 PolarHBondContact O-N 2.84Å; D369-F371 PolarHBondContact O-N 2.97Å; D369-F371 VanDerWaalsContact O-N 3.11Å; D369-F371 WeakPolarHBondContact OD1-CB 3.49Å; D369-F371 PolarHBondContact OD1-N 3.17Å; D369-V372 PolarHBondContact O-N 2.82Å; D369-V394 HydrophobicContact CB-CG1 4.38Å; D369-R397 IonicContact OD1-CZ 2.62Å; D369-R397 IonicContact OD1-NE 3.83Å; D369-R397 IonicContact OD1-NH2 3.96Å; D369-R397 PolarHBondContact OD1-NH2 3.1Å; D369-R397 IonicContact OD2-CZ 3.45Å; D369-R397 IonicContact OD2-NE 3.52Å; D369-R397 PolarHBondContact OD2-NE 3.27Å; D369-R397 IonicContact OD2-NH2 2.69Å; D369-R397 PolarHBondContact OD2-NH2 3.15Å; D369-H398 IonicContact OD2-CD2 2.69Å; D369-H398 PolarHBondContact OD2-CD2 3.12Å; D369-H398 IonicContact OD2-CE1 3.39Å; D369-H398 IonicContact OD2-NE2 2.69Å; D369-H398 PolarHBondContact OD2-NE2 3.01Å
370	P	93.1	Very high	92	Very high	96 Å²	96	47 Å²	47	62%	0.623	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.7	177.3	-21.5	32.5	0	0	0	114.8	P342 V372	P342-P370 HydrophobicContact CG-CG 4.47Å; P370-V372 PolarHBondContact O-N 3.09Å
371	F	92	Very high	92.3	Very high	83 Å²	83	46.1 Å²	46.1	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.3	173.8	166.9	-107.7	0	0	0	113.2	D369 D373 N390 V394	D369-F371 PolarHBondContact O-N 2.97Å; D369-F371 VanDerWaalsContact O-N 3.11Å; D369-F371 WeakPolarHBondContact OD1-CB 3.49Å; D369-F371 PolarHBondContact OD1-N 3.17Å; F371-D373 PolarHBondContact O-N 2.93Å; F371-N390 HydrophobicContact CE1-CB 4.04Å; F371-N390 HydrophobicContact CE2-CB 3.64Å; F371-N390 HydrophobicContact CZ-CB 3.34Å; F371-V394 HydrophobicContact CB-CG2 4.15Å; F371-V394 HydrophobicContact CD1-CG2 3.67Å; F371-V394 HydrophobicContact CE1-CG2 4.39Å; F371-V394 HydrophobicContact CG-CG2 4.04Å
372	V	92.8	Very high	92.9	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	24%	0.243	C	C	.	.	S	Bend	trans	-74.5	118.8	-174.2	-179.3	0	0	0	0	111	A339 H341 D369 P370 M374 G379 V381	A339-V372 HydrophobicContact CB-CG2 3.57Å; H341-V372 HydrophobicContact CB-CB 4.27Å; H341-V372 PolarHBondContact CD2-O 3.03Å; D369-V372 PolarHBondContact O-N 2.82Å; P370-V372 PolarHBondContact O-N 3.09Å; V372-M374 PolarHBondContact O-N 3.19Å; V372-G379 VanDerWaalsContact CG1-O 3.3Å; V372-G379 WeakPolarHBondContact CG1-O 3.37Å; V372-V381 HydrophobicContact CG1-CG2 4.16Å
373	D	92.6	Very high	93.2	Very high	89 Å²	89	40.6 Å²	40.6	48%	0.476	23%	0.231	S	C	.	.			trans	-76.6	115.3	171.4	-175.9	-12.7	0	0	0	110.5	F371 S375 F376	F371-D373 PolarHBondContact O-N 2.93Å; D373-S375 PolarHBondContact O-N 2.93Å; D373-S375 WeakPolarHBondContact OD1-CA 3.33Å; D373-S375 WeakPolarHBondContact OD1-CB 3.38Å; D373-S375 PolarHBondContact OD1-N 3.18Å; D373-S375 PolarHBondContact OD1-OG 2.95Å; D373-S375 PolarHBondContact OD2-OG 2.61Å; D373-F376 HydrophobicContact CB-CB 3.94Å; D373-F376 PolarHBondContact O-N 2.97Å
374	M	93.1	Very high	93.4	Very high	68 Å²	68	35.2 Å²	35.2	34%	0.335	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.5	178.5	-65.6	176.4	57.1	0	0	113.1	H341 D344 R346 V372	H341-M374 HydrophobicContact CB-CG 3.56Å; H341-M374 HydrophobicContact CB-SD 4.22Å; D344-M374 HydrophobicContact CB-CE 3.95Å; D344-M374 HydrophobicContact CB-CG 4.2Å; D344-M374 HydrophobicContact CB-SD 4.32Å; R346-M374 PolarHBondContact NH2-O 2.87Å; V372-M374 PolarHBondContact O-N 3.19Å
375	S	90.8	Very high	93.3	Very high	102 Å²	102	35.2 Å²	35.2	71%	0.713	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-16	-176.6	72.4	0	0	0	0	113.8	D373	D373-S375 PolarHBondContact O-N 2.93Å; D373-S375 WeakPolarHBondContact OD1-CA 3.33Å; D373-S375 WeakPolarHBondContact OD1-CB 3.38Å; D373-S375 PolarHBondContact OD1-N 3.18Å; D373-S375 PolarHBondContact OD1-OG 2.95Å; D373-S375 PolarHBondContact OD2-OG 2.61Å
376	F	89.1	Confident	93.2	Very high	98 Å²	98	33.9 Å²	33.9	43%	0.43	20%	0.199	S	C	.	.	S	Bend	trans	-91.3	126.9	-177.5	-171.8	-99.3	0	0	0	112	L308 D373 T378 G379	L308-F376 HydrophobicContact CD1-CE1 4.32Å; L308-F376 HydrophobicContact CD1-CZ 4.42Å; L308-F376 HydrophobicContact CD2-CE1 4.45Å; L308-F376 HydrophobicContact CD2-CZ 4.36Å; D373-F376 HydrophobicContact CB-CB 3.94Å; D373-F376 PolarHBondContact O-N 2.97Å; F376-T378 PolarHBondContact O-N 3.3Å; F376-G379 PolarHBondContact O-N 2.82Å; F376-G379 VanDerWaalsContact O-N 3.09Å
377	G	88.2	Confident	93.1	Very high	44 Å²	44	34 Å²	34	45%	0.454	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-119.8	-178.8	0	0	0	0	0	111.6
378	T	91.3	Very high	92.9	Very high	23 Å²	23	35.7 Å²	35.7	14%	0.141	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.5	179.2	60.9	0	0	0	0	113.9	V323 A325 R346 Y347 F376 A380	V323-T378 HydrophobicContact CB-CG2 4.17Å; V323-T378 HydrophobicContact CG1-CG2 3.86Å; V323-T378 VanDerWaalsContact O-CB 3.29Å; V323-T378 WeakPolarHBondContact O-CB 3.37Å; V323-T378 PolarHBondContact O-OG1 2.78Å; A325-T378 HydrophobicContact CB-CG2 4.38Å; R346-T378 PolarHBondContact NH1-O 3.02Å; Y347-T378 WeakPolarHBondContact CE2-O 3.4Å; Y347-T378 PolarHBondContact OH-O 3.03Å; F376-T378 PolarHBondContact O-N 3.3Å; T378-A380 PolarHBondContact O-N 2.83Å; T378-A380 PolarHBondContact OG1-N 3.13Å; T378-A380 PolarHBondContact OG1-O 2.73Å
379	G	90.9	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	72.3	9.4	-166.9	0	0	0	0	0	114.4	V372 F376	V372-G379 VanDerWaalsContact CG1-O 3.3Å; V372-G379 WeakPolarHBondContact CG1-O 3.37Å; F376-G379 PolarHBondContact O-N 2.82Å; F376-G379 VanDerWaalsContact O-N 3.09Å
380	A	94.3	Very high	92.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.5	170.1	0	0	0	0	0	109.6	I322 V324 V338 A339 V340 Y347 T378	I322-A380 HydrophobicContact CD1-CB 3.93Å; I322-A380 HydrophobicContact CG1-CB 4.05Å; V324-A380 WeakPolarHBondContact CA-O 3.44Å; V324-A380 HydrophobicContact CG1-CB 4.14Å; V338-A380 HydrophobicContact CG1-CB 4.34Å; A339-A380 WeakPolarHBondContact O-CA 3.26Å; V340-A380 HydrophobicContact CG1-CB 3.79Å; Y347-A380 HydrophobicContact CE1-CB 4.5Å; Y347-A380 HydrophobicContact CE2-CB 3.99Å; T378-A380 PolarHBondContact O-N 2.83Å; T378-A380 PolarHBondContact OG1-N 3.13Å; T378-A380 PolarHBondContact OG1-O 2.73Å
381	V	94.7	Very high	92.4	Very high	33 Å²	33	36.6 Å²	36.6	20%	0.2	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.9	-172.2	-179.6	0	0	0	0	109.6	V338 A339 V372 I383	V338-V381 CarbonylContact C-O 3.33Å; V338-V381 WeakPolarHBondContact CA-O 3.47Å; A339-V381 PolarHBondContact N-O 2.95Å; A339-V381 PolarHBondContact O-N 3.5Å; V372-V381 HydrophobicContact CG1-CG2 4.16Å; V381-I383 HydrophobicContact CG1-CD1 4.47Å
382	K	95.8	Very high	92.3	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.7	169.2	58.8	160.9	-149.9	63	0	110.5	F311 V324 T326 T331 M332 D335 T384	F311-K382 HydrophobicContact CE1-CD 4.4Å; F311-K382 HydrophobicContact CZ-CD 4.28Å; V324-K382 HydrophobicContact CG2-CB 4.4Å; T326-K382 HydrophobicContact CG2-CD 4.11Å; T326-K382 VanDerWaalsContact OG1-CE 3.24Å; T326-K382 WeakPolarHBondContact OG1-CE 3.32Å; T331-K382 WeakPolarHBondContact OG1-CE 3.26Å; T331-K382 PolarHBondContact OG1-NZ 3.33Å; M332-K382 HydrophobicContact CB-CD 4.24Å; D335-K382 IonicContact OD1-NZ 3.78Å; D335-K382 WeakPolarHBondContact OD2-CB 3.46Å; D335-K382 WeakPolarHBondContact OD2-CD 3.49Å; K382-T384 PolarHBondContact NZ-OG1 3.15Å
383	I	96.4	Very high	92.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.5	179.7	-57.9	-58.3	0	0	0	109.6	D335 T336 A337 A339 V381 P385 D391 V394 L400	D335-I383 WeakPolarHBondContact CA-O 3.44Å; T336-I383 PolarHBondContact N-O 3.38Å; A337-I383 HydrophobicContact CB-CB 4.09Å; A337-I383 HydrophobicContact CB-CG1 4.33Å; A337-I383 WeakPolarHBondContact O-CB 3.45Å; A337-I383 PolarHBondContact O-N 2.99Å; A339-I383 HydrophobicContact CB-CD1 3.67Å; A339-I383 HydrophobicContact CB-CG1 3.64Å; V381-I383 HydrophobicContact CG1-CD1 4.47Å; I383-P385 HydrophobicContact CG2-CG 3.86Å; I383-P385 WeakPolarHBondContact O-CD 3.48Å; I383-D391 HydrophobicContact CG2-CB 4.2Å; I383-V394 HydrophobicContact CD1-CB 4.36Å; I383-V394 HydrophobicContact CD1-CG1 4Å; I383-V394 HydrophobicContact CD1-CG2 4.48Å; I383-V394 HydrophobicContact CG1-CG1 4.19Å; I383-V394 HydrophobicContact CG2-CB 4.45Å; I383-V394 HydrophobicContact CG2-CG1 4.2Å; I383-L400 HydrophobicContact CB-CD1 4.46Å; I383-L400 HydrophobicContact CG2-CD1 3.74Å
384	T	95.1	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.			trans	-119.7	78.8	175.9	-36.4	0	0	0	0	110.8	T331 D335 K382 A386 H387 D391	T331-T384 WeakPolarHBondContact O-CG2 3.47Å; T331-T384 PolarHBondContact O-OG1 2.97Å; D335-T384 PolarHBondContact OD1-OG1 3.45Å; K382-T384 PolarHBondContact NZ-OG1 3.15Å; T384-A386 PolarHBondContact O-N 3.47Å; T384-H387 HydrophobicContact CG2-CB 4.16Å; T384-H387 PolarHBondContact O-N 3.27Å; T384-D391 PolarHBondContact N-OD2 3.43Å
385	P	93.2	Very high	92.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.1	-168.8	-29.9	38.8	0	0	0	115.6	T336 I383 H387 Y392 L400 L402	T336-P385 WeakPolarHBondContact OG1-CD 3.32Å; T336-P385 WeakPolarHBondContact OG1-CG 2.89Å; I383-P385 HydrophobicContact CG2-CG 3.86Å; I383-P385 WeakPolarHBondContact O-CD 3.48Å; P385-H387 VanDerWaalsContact C-N 3.32Å; P385-H387 PolarHBondContact O-N 3.29Å; P385-Y392 WeakPolarHBondContact O-CB 3.14Å; P385-Y392 WeakPolarHBondContact O-CD2 3.46Å; P385-L400 HydrophobicContact CG-CB 4.32Å; P385-L400 HydrophobicContact CG-CD1 4.49Å; P385-L402 HydrophobicContact CB-CD2 3.39Å; P385-L402 HydrophobicContact CG-CD2 4.42Å
386	A	92.8	Very high	92.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.1	-178.2	0	0	0	0	0	114.8	L267 T384 V403 L483	L267-A386 WeakPolarHBondContact CD2-O 3.09Å; T384-A386 PolarHBondContact O-N 3.47Å; A386-V403 WeakPolarHBondContact CB-O 3.34Å; A386-L483 HydrophobicContact CB-CD1 3.61Å; A386-L483 HydrophobicContact CB-CG 4.18Å
387	H	93.4	Very high	92.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136	-4.7	-169.6	-72.5	-68.5	0	0	0	116	R328 T331 T384 P385 C405 F406 E480 P481 L482	R328-H387 PolarHBondContact NH1-O 3.01Å; T331-H387 HydrophobicContact CG2-CB 4.22Å; T384-H387 HydrophobicContact CG2-CB 4.16Å; T384-H387 PolarHBondContact O-N 3.27Å; P385-H387 VanDerWaalsContact C-N 3.32Å; P385-H387 PolarHBondContact O-N 3.29Å; H387-C405 PolarHBondContact NE2-N 3.39Å; H387-F406 AromaticContact CE1-CD2 3.2Å; H387-F406 WeakPolarHBondContact CE1-CD2 3.41Å; H387-F406 AromaticContact CE1-CE2 3.77Å; H387-F406 AromaticContact CE1-CG 3.95Å; H387-F406 AromaticContact ND1-CD2 3.4Å; H387-F406 WeakPolarHBondContact ND1-CD2 3.47Å; H387-F406 AromaticContact ND1-CE2 3.61Å; H387-E480 IonicContact ND1-OE1 3.72Å; H387-E480 PolarHBondContact ND1-OE1 2.99Å; H387-E480 VanDerWaalsContact ND1-OE1 3.15Å; H387-P481 PolarHBondContact ND1-O 3.11Å; H387-P481 WeakPolarHBondContact O-CB 3.36Å; H387-P481 WeakPolarHBondContact O-CG 3.34Å; H387-L482 VanDerWaalsContact CE1-CD2 3.42Å; H387-L482 WeakPolarHBondContact CE1-CD2 3.11Å
388	D	91.4	Very high	92.6	Very high	52 Å²	52	34.9 Å²	34.9	28%	0.278	16%	0.16	S	C	.	.			trans	-144.5	142.2	175	-176.9	-88.3	0	0	0	110.4	L267 N390 D391 Y392	L267-D388 WeakPolarHBondContact CD1-O 3.48Å; D388-N390 WeakPolarHBondContact OD1-CA 3.33Å; D388-N390 WeakPolarHBondContact OD1-CB 3.21Å; D388-N390 PolarHBondContact OD1-N 3.49Å; D388-D391 HydrophobicContact CB-CB 3.95Å; D388-D391 PolarHBondContact OD1-N 2.9Å; D388-Y392 WeakPolarHBondContact O-CB 3.28Å; D388-Y392 PolarHBondContact O-N 3.11Å
389	Q	87.8	Confident	92.7	Very high	73 Å²	73	41 Å²	41	34%	0.341	19%	0.192	S	C	.	.	H	α-helix	trans	-69.9	-38.2	-175.1	-173.4	60.1	54.8	0	0	112.6	Y392 D393	Q389-Y392 WeakPolarHBondContact O-CB 3.33Å; Q389-Y392 PolarHBondContact O-N 3.28Å; Q389-D393 PolarHBondContact NE2-OD1 3Å; Q389-D393 PolarHBondContact O-N 3.36Å; Q389-D393 VanDerWaalsContact O-N 3.14Å
390	N	90.9	Very high	92.8	Very high	79 Å²	79	41.9 Å²	41.9	42%	0.422	20%	0.197	S	C	.	.	H	α-helix	trans	-70.6	-42.3	178.3	-57.4	-48.3	0	0	0	110	F371 D388 Y392 D393 V394	F371-N390 HydrophobicContact CE1-CB 4.04Å; F371-N390 HydrophobicContact CE2-CB 3.64Å; F371-N390 HydrophobicContact CZ-CB 3.34Å; D388-N390 WeakPolarHBondContact OD1-CA 3.33Å; D388-N390 WeakPolarHBondContact OD1-CB 3.21Å; D388-N390 PolarHBondContact OD1-N 3.49Å; N390-Y392 PolarHBondContact O-N 3.39Å; N390-D393 PolarHBondContact O-N 3.04Å; N390-V394 WeakPolarHBondContact O-CG2 3.31Å; N390-V394 PolarHBondContact O-N 2.85Å
391	D	93.5	Very high	92.6	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-35.4	175.1	-67.9	-2.4	0	0	0	111.6	I383 T384 D388 V394 G395	I383-D391 HydrophobicContact CG2-CB 4.2Å; T384-D391 PolarHBondContact N-OD2 3.43Å; D388-D391 HydrophobicContact CB-CB 3.95Å; D388-D391 PolarHBondContact OD1-N 2.9Å; D391-V394 PolarHBondContact O-N 2.92Å; D391-G395 PolarHBondContact O-N 3.38Å
392	Y	91.2	Very high	92.4	Very high	17 Å²	17	47.9 Å²	47.9	7%	0.067	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-42.3	175.4	-179.5	-100.4	0	0	0	112.6	L267 P385 D388 Q389 N390 G395 R396 L402 L483	L267-Y392 HydrophobicContact CD1-CD1 4.38Å; L267-Y392 HydrophobicContact CD1-CD2 3.92Å; L267-Y392 HydrophobicContact CD1-CG 3.64Å; L267-Y392 HydrophobicContact CG-CD2 4.46Å; P385-Y392 WeakPolarHBondContact O-CB 3.14Å; P385-Y392 WeakPolarHBondContact O-CD2 3.46Å; D388-Y392 WeakPolarHBondContact O-CB 3.28Å; D388-Y392 PolarHBondContact O-N 3.11Å; Q389-Y392 WeakPolarHBondContact O-CB 3.33Å; Q389-Y392 PolarHBondContact O-N 3.28Å; N390-Y392 PolarHBondContact O-N 3.39Å; Y392-G395 PolarHBondContact O-N 2.89Å; Y392-R396 HydrophobicContact CD1-CG 4.31Å; Y392-R396 HydrophobicContact CE1-CG 4.01Å; Y392-R396 WeakPolarHBondContact O-CB 3.26Å; Y392-R396 WeakPolarHBondContact O-CG 3.24Å; Y392-R396 PolarHBondContact O-N 3.35Å; Y392-R396 PolarHBondContact OH-NE 2.87Å; Y392-R396 VanDerWaalsContact OH-NE 3.14Å; Y392-R396 PolarHBondContact OH-NH2 2.77Å; Y392-L402 HydrophobicContact CD2-CD2 4.07Å; Y392-L402 HydrophobicContact CE2-CD1 4.09Å; Y392-L402 HydrophobicContact CE2-CD2 4.15Å; Y392-L483 HydrophobicContact CD2-CD2 4.19Å; Y392-L483 HydrophobicContact CE2-CD2 3.76Å
393	D	90.4	Very high	92.2	Very high	66 Å²	66	49 Å²	49	35%	0.353	24%	0.239	S	C	.	.	H	α-helix	trans	-67.5	-40.6	177.9	-66	-18.9	0	0	0	110.9	Q389 N390 R396 R397	Q389-D393 PolarHBondContact NE2-OD1 3Å; Q389-D393 PolarHBondContact O-N 3.36Å; Q389-D393 VanDerWaalsContact O-N 3.14Å; N390-D393 PolarHBondContact O-N 3.04Å; D393-R396 PolarHBondContact O-N 2.68Å; D393-R397 WeakPolarHBondContact O-CG 3.28Å; D393-R397 PolarHBondContact O-N 2.85Å
394	V	93.3	Very high	91.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-46.6	170.5	176.3	0	0	0	0	110.3	D369 F371 I383 N390 D391 R396 R397 H398	D369-V394 HydrophobicContact CB-CG1 4.38Å; F371-V394 HydrophobicContact CB-CG2 4.15Å; F371-V394 HydrophobicContact CD1-CG2 3.67Å; F371-V394 HydrophobicContact CE1-CG2 4.39Å; F371-V394 HydrophobicContact CG-CG2 4.04Å; I383-V394 HydrophobicContact CD1-CB 4.36Å; I383-V394 HydrophobicContact CD1-CG1 4Å; I383-V394 HydrophobicContact CD1-CG2 4.48Å; I383-V394 HydrophobicContact CG1-CG1 4.19Å; I383-V394 HydrophobicContact CG2-CB 4.45Å; I383-V394 HydrophobicContact CG2-CG1 4.2Å; N390-V394 WeakPolarHBondContact O-CG2 3.31Å; N390-V394 PolarHBondContact O-N 2.85Å; D391-V394 PolarHBondContact O-N 2.92Å; V394-R396 VanDerWaalsContact C-N 3.31Å; V394-R396 PolarHBondContact O-N 3.21Å; V394-R397 VanDerWaalsContact CG2-NH2 3.32Å; V394-R397 PolarHBondContact O-N 3.05Å; V394-R397 VanDerWaalsContact O-N 3.11Å; V394-H398 PolarHBondContact O-CD2 2.65Å; V394-H398 VanDerWaalsContact O-CD2 3.31Å; V394-H398 PolarHBondContact O-N 3.37Å
395	G	92.9	Very high	91.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-40	177.9	0	0	0	0	0	112.9	D391 Y392 N399 L400	D391-G395 PolarHBondContact O-N 3.38Å; Y392-G395 PolarHBondContact O-N 2.89Å; G395-N399 CarbonylContact O-C 3.59Å; G395-N399 WeakPolarHBondContact O-CA 3.46Å; G395-N399 PolarHBondContact O-N 3.47Å; G395-L400 PolarHBondContact O-N 3.43Å
396	R	89.8	Confident	91.9	Very high	161 Å²	161	51.4 Å²	51.4	61%	0.608	25%	0.253	S	S	*	.	H	α-helix	trans	-63.8	-45.3	172.4	-79.1	-92.1	-176.1	162.2	-4.8	111.9	Y392 D393 V394 H398 N399	Y392-R396 HydrophobicContact CD1-CG 4.31Å; Y392-R396 HydrophobicContact CE1-CG 4.01Å; Y392-R396 WeakPolarHBondContact O-CB 3.26Å; Y392-R396 WeakPolarHBondContact O-CG 3.24Å; Y392-R396 PolarHBondContact O-N 3.35Å; Y392-R396 PolarHBondContact OH-NE 2.87Å; Y392-R396 VanDerWaalsContact OH-NE 3.14Å; Y392-R396 PolarHBondContact OH-NH2 2.77Å; D393-R396 PolarHBondContact O-N 2.68Å; V394-R396 VanDerWaalsContact C-N 3.31Å; V394-R396 PolarHBondContact O-N 3.21Å; R396-H398 VanDerWaalsContact C-N 3.35Å; R396-H398 PolarHBondContact O-N 2.94Å; R396-N399 PolarHBondContact O-N 3.37Å
397	R	93.1	Very high	91.8	Very high	139 Å²	139	53.7 Å²	53.7	53%	0.525	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-39.5	179.5	-74.4	-168.7	-64.8	-96.3	13.2	112.8	D369 D393 V394	D369-R397 IonicContact OD1-CZ 2.62Å; D369-R397 IonicContact OD1-NE 3.83Å; D369-R397 IonicContact OD1-NH2 3.96Å; D369-R397 PolarHBondContact OD1-NH2 3.1Å; D369-R397 IonicContact OD2-CZ 3.45Å; D369-R397 IonicContact OD2-NE 3.52Å; D369-R397 PolarHBondContact OD2-NE 3.27Å; D369-R397 IonicContact OD2-NH2 2.69Å; D369-R397 PolarHBondContact OD2-NH2 3.15Å; D393-R397 WeakPolarHBondContact O-CG 3.28Å; D393-R397 PolarHBondContact O-N 2.85Å; V394-R397 VanDerWaalsContact CG2-NH2 3.32Å; V394-R397 PolarHBondContact O-N 3.05Å; V394-R397 VanDerWaalsContact O-N 3.11Å
398	H	93.4	Very high	91.5	Very high	67 Å²	67	56.8 Å²	56.8	31%	0.31	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	7.9	-177.9	-64.9	-77.5	0	0	0	114	T368 D369 V394 R396 L400	T368-H398 PolarHBondContact O-CE1 3.22Å; T368-H398 VanDerWaalsContact O-CE1 3.24Å; D369-H398 IonicContact OD2-CD2 2.69Å; D369-H398 PolarHBondContact OD2-CD2 3.12Å; D369-H398 IonicContact OD2-CE1 3.39Å; D369-H398 IonicContact OD2-NE2 2.69Å; D369-H398 PolarHBondContact OD2-NE2 3.01Å; V394-H398 PolarHBondContact O-CD2 2.65Å; V394-H398 VanDerWaalsContact O-CD2 3.31Å; V394-H398 PolarHBondContact O-N 3.37Å; R396-H398 VanDerWaalsContact C-N 3.35Å; R396-H398 PolarHBondContact O-N 2.94Å; H398-L400 VanDerWaalsContact C-N 3.3Å; H398-L400 HydrophobicContact CB-CD1 4.48Å; H398-L400 HydrophobicContact CB-CD2 4.18Å; H398-L400 HydrophobicContact CB-CG 3.97Å; H398-L400 PolarHBondContact O-N 3.32Å
399	N	92.2	Very high	91.3	Very high	151 Å²	151	57.4 Å²	57.4	81%	0.807	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	44.9	-178.8	-162.9	38.5	0	0	0	113.6	G395 R396	G395-N399 CarbonylContact O-C 3.59Å; G395-N399 WeakPolarHBondContact O-CA 3.46Å; G395-N399 PolarHBondContact O-N 3.47Å; R396-N399 PolarHBondContact O-N 3.37Å
400	L	93	Very high	91.4	Very high	19 Å²	19	54 Å²	54	10%	0.099	27%	0.272	C	S	.	.			trans	-79.8	149	-179.6	-58.1	179.7	0	0	0	111.6	A337 P365 I383 P385 G395 H398	A337-L400 HydrophobicContact CB-CD1 3.39Å; A337-L400 HydrophobicContact CB-CD2 4.03Å; A337-L400 HydrophobicContact CB-CG 4.38Å; P365-L400 HydrophobicContact CG-CD2 4.32Å; I383-L400 HydrophobicContact CB-CD1 4.46Å; I383-L400 HydrophobicContact CG2-CD1 3.74Å; P385-L400 HydrophobicContact CG-CB 4.32Å; P385-L400 HydrophobicContact CG-CD1 4.49Å; G395-L400 PolarHBondContact O-N 3.43Å; H398-L400 VanDerWaalsContact C-N 3.3Å; H398-L400 HydrophobicContact CB-CD1 4.48Å; H398-L400 HydrophobicContact CB-CD2 4.18Å; H398-L400 HydrophobicContact CB-CG 3.97Å; H398-L400 PolarHBondContact O-N 3.32Å
401	P	91.2	Very high	91.5	Very high	82 Å²	82	52.9 Å²	52.9	53%	0.532	27%	0.266	S	S	.	.			trans	-56.3	149	171.5	-23.9	33.2	0	0	0	112.6	T336 V403	T336-P401 HydrophobicContact CG2-CB 4Å; T336-P401 HydrophobicContact CG2-CG 4.48Å; T336-P401 WeakPolarHBondContact CG2-O 3.48Å; T336-P401 PolarHBondContact OG1-O 2.85Å; P401-V403 HydrophobicContact CB-CG2 4.29Å
402	L	89.9	Confident	91.5	Very high	77 Å²	77	52.6 Å²	52.6	40%	0.403	26%	0.264	S	S	.	.			trans	-104.9	91	176.4	-60.2	-178.8	0	0	0	109.3	P385 Y392 L483	P385-L402 HydrophobicContact CB-CD2 3.39Å; P385-L402 HydrophobicContact CG-CD2 4.42Å; Y392-L402 HydrophobicContact CD2-CD2 4.07Å; Y392-L402 HydrophobicContact CE2-CD1 4.09Å; Y392-L402 HydrophobicContact CE2-CD2 4.15Å; L402-L483 HydrophobicContact CB-CD1 3.67Å; L402-L483 HydrophobicContact CD1-CD1 3.91Å; L402-L483 HydrophobicContact CD2-CD1 4.49Å; L402-L483 HydrophobicContact CG-CD1 4.23Å
403	V	90.9	Very high	91.7	Very high	33 Å²	33	52.9 Å²	52.9	20%	0.2	27%	0.268	C	S	.	.			trans	-101	118.5	-176.1	-178.8	0	0	0	0	111	T336 A386 P401	T336-V403 HydrophobicContact CG2-CB 4.34Å; T336-V403 HydrophobicContact CG2-CG2 3.81Å; A386-V403 WeakPolarHBondContact CB-O 3.34Å; P401-V403 HydrophobicContact CB-CG2 4.29Å
404	T	91.5	Very high	91.6	Very high	44 Å²	44	53.9 Å²	53.9	27%	0.27	29%	0.285	S	S	.	.			trans	-91.2	122.8	179.3	-56.4	0	0	0	0	112.2	F406 T413 L482	T404-F406 VanDerWaalsContact CG2-O 3.25Å; T404-F406 WeakPolarHBondContact CG2-O 3.11Å; T404-T413 PolarHBondContact O-OG1 3.12Å; T404-L482 HydrophobicContact CG2-CD2 4.32Å
405	C	92.4	Very high	91.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	32%	0.315	C	S	.	.			trans	-85.2	-27	178.9	-54.6	0	0	0	0	113.9	G334 H387 M412 T413 C416	G334-C405 WeakPolarHBondContact CA-SG 3.25Å; G334-C405 PolarHBondContact N-SG 3.39Å; H387-C405 PolarHBondContact NE2-N 3.39Å; C405-M412 HydrophobicContact CB-CE 3.91Å; C405-M412 CarbonylContact O-C 3.22Å; C405-M412 VanDerWaalsContact O-CA 3.29Å; C405-M412 WeakPolarHBondContact O-CA 3.3Å; C405-T413 PolarHBondContact O-N 3.01Å; C405-T413 PolarHBondContact O-OG1 3.25Å; C405-C416 PolarHBondContact O-SG 2.98Å
406	F	93.9	Very high	91.1	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.018	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-115.6	137.4	-172	-49.9	-55.3	0	0	0	112.2	E330 T331 H387 T404 L411 M412 R424 E480 L482	E330-F406 HydrophobicContact CG-CE1 4.15Å; E330-F406 HydrophobicContact CG-CZ 3.69Å; T331-F406 HydrophobicContact CG2-CE2 3.96Å; T331-F406 HydrophobicContact CG2-CZ 3.96Å; H387-F406 AromaticContact CE1-CD2 3.2Å; H387-F406 WeakPolarHBondContact CE1-CD2 3.41Å; H387-F406 AromaticContact CE1-CE2 3.77Å; H387-F406 AromaticContact CE1-CG 3.95Å; H387-F406 AromaticContact ND1-CD2 3.4Å; H387-F406 WeakPolarHBondContact ND1-CD2 3.47Å; H387-F406 AromaticContact ND1-CE2 3.61Å; T404-F406 VanDerWaalsContact CG2-O 3.25Å; T404-F406 WeakPolarHBondContact CG2-O 3.11Å; F406-L411 CarbonylContact C-O 3.54Å; F406-L411 WeakPolarHBondContact CA-O 3.46Å; F406-M412 HydrophobicContact CD1-CE 4.19Å; F406-M412 HydrophobicContact CD1-SD 3.69Å; F406-M412 HydrophobicContact CE1-CE 3.92Å; F406-M412 HydrophobicContact CE1-SD 3.43Å; F406-M412 WeakPolarHBondContact CE1-SD 3.45Å; F406-R424 HydrophobicContact CD1-CB 3.81Å; F406-R424 HydrophobicContact CE1-CB 3.47Å; F406-R424 VanDerWaalsContact CE1-CB 3.47Å; F406-R424 HydrophobicContact CZ-CB 4.04Å; F406-E480 VanDerWaalsContact CD2-CD 3.46Å; F406-E480 HydrophobicContact CD2-CG 3.91Å; F406-E480 WeakPolarHBondContact CD2-OE1 3.26Å; F406-E480 HydrophobicContact CE2-CG 4.47Å; F406-E480 VanDerWaalsContact CE2-OE1 3.24Å; F406-E480 WeakPolarHBondContact CE2-OE1 3.48Å; F406-L482 HydrophobicContact CB-CD2 4.18Å; F406-L482 HydrophobicContact CD2-CD2 4.35Å
407	T	91.9	Very high	91	Very high	49 Å²	49	53.6 Å²	53.6	30%	0.301	30%	0.303	S	S	.	.			trans	-72.6	168	162.9	59.9	0	0	0	0	110.7	D409 G410 L411 T413	T407-D409 PolarHBondContact O-N 2.91Å; T407-G410 PolarHBondContact O-N 3.28Å; T407-L411 PolarHBondContact N-O 3.47Å; T407-L411 WeakPolarHBondContact OG1-CA 3.41Å; T407-L411 WeakPolarHBondContact OG1-CB 3.34Å; T407-L411 PolarHBondContact OG1-N 2.98Å; T407-L411 VanDerWaalsContact OG1-N 3.07Å; T407-L411 PolarHBondContact OG1-O 2.9Å; T407-T413 HydrophobicContact CG2-CG2 4Å
408	D	86.9	Confident	90.9	Very high	66 Å²	66	51.3 Å²	51.3	35%	0.353	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.7	179.2	-65.3	33.4	0	0	0	113.2	W270 C272 G410 K484	W270-D408 HydrophobicContact CZ2-CB 3.86Å; W270-D408 PolarHBondContact NE1-O 2.64Å; C272-D408 WeakPolarHBondContact CA-O 2.98Å; D408-G410 VanDerWaalsContact C-N 3.35Å; D408-K484 IonicContact OD1-NZ 2.65Å; D408-K484 PolarHBondContact OD1-NZ 3.43Å; D408-K484 IonicContact OD2-NZ 3.11Å; D408-K484 PolarHBondContact OD2-NZ 2.99Å
409	D	86.9	Confident	91	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	2	-178.4	-62.3	-13.4	0	0	0	112.7	R275 T407 L411	R275-D409 VanDerWaalsContact CD-OD1 3.24Å; R275-D409 WeakPolarHBondContact CD-OD1 3.45Å; R275-D409 IonicContact CZ-OD1 3.11Å; R275-D409 IonicContact CZ-OD2 3.41Å; R275-D409 IonicContact NE-OD1 2.72Å; R275-D409 PolarHBondContact NE-OD1 3.24Å; R275-D409 IonicContact NE-OD2 3.3Å; R275-D409 IonicContact NH1-OD1 2.91Å; R275-D409 PolarHBondContact NH1-OD1 3.31Å; R275-D409 IonicContact NH1-OD2 3.52Å; R275-D409 PolarHBondContact NH1-OD2 2.92Å; R275-D409 IonicContact NH2-OD1 3.98Å; R275-D409 PolarHBondContact NH2-OD1 3.44Å; R275-D409 IonicContact NH2-OD2 2.79Å; R275-D409 PolarHBondContact NH2-OD2 2.96Å; T407-D409 PolarHBondContact O-N 2.91Å; D409-L411 HydrophobicContact CB-CG 4.39Å
410	G	89.4	Confident	91	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	75.1	25	-177.6	0	0	0	0	0	114	T407 D408 R424	T407-G410 PolarHBondContact O-N 3.28Å; D408-G410 VanDerWaalsContact C-N 3.35Å; G410-R424 PolarHBondContact O-N 3.26Å
411	L	93.5	Very high	91	Very high	57 Å²	57	45 Å²	45	30%	0.298	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-95.1	147.9	170.5	-51.6	175.1	0	0	0	110.7	F406 T407 D409 M422 K423	F406-L411 CarbonylContact C-O 3.54Å; F406-L411 WeakPolarHBondContact CA-O 3.46Å; T407-L411 PolarHBondContact N-O 3.47Å; T407-L411 WeakPolarHBondContact OG1-CA 3.41Å; T407-L411 WeakPolarHBondContact OG1-CB 3.34Å; T407-L411 PolarHBondContact OG1-N 2.98Å; T407-L411 VanDerWaalsContact OG1-N 3.07Å; T407-L411 PolarHBondContact OG1-O 2.9Å; D409-L411 HydrophobicContact CB-CG 4.39Å; L411-M422 CarbonylContact C-O 3.55Å; L411-M422 VanDerWaalsContact CA-O 3.27Å; L411-M422 WeakPolarHBondContact CA-O 3.4Å; L411-K423 HydrophobicContact CD2-CB 4.38Å; L411-K423 HydrophobicContact CD2-CG 3.63Å
412	M	94.7	Very high	91.1	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.025	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-62.4	135.2	174.6	-58.1	-50.9	-55.2	0	0	111.2	L333 C405 F406 C416 F419 G421 M422 A427	L333-M412 HydrophobicContact CB-CE 4.42Å; L333-M412 HydrophobicContact CD1-CE 3.44Å; L333-M412 VanDerWaalsContact CD1-CE 3.44Å; L333-M412 HydrophobicContact CG-CE 4.5Å; C405-M412 HydrophobicContact CB-CE 3.91Å; C405-M412 CarbonylContact O-C 3.22Å; C405-M412 VanDerWaalsContact O-CA 3.29Å; C405-M412 WeakPolarHBondContact O-CA 3.3Å; F406-M412 HydrophobicContact CD1-CE 4.19Å; F406-M412 HydrophobicContact CD1-SD 3.69Å; F406-M412 HydrophobicContact CE1-CE 3.92Å; F406-M412 HydrophobicContact CE1-SD 3.43Å; F406-M412 WeakPolarHBondContact CE1-SD 3.45Å; M412-C416 HydrophobicContact CB-CB 4.03Å; M412-C416 HydrophobicContact CE-CB 3.83Å; M412-C416 WeakPolarHBondContact CE-SG 3.29Å; M412-F419 WeakPolarHBondContact CB-O 3.27Å; M412-F419 HydrophobicContact CG-CB 4.34Å; M412-F419 VanDerWaalsContact CG-O 3.23Å; M412-F419 WeakPolarHBondContact CG-O 3.28Å; M412-G421 PolarHBondContact O-N 2.89Å; M412-M422 HydrophobicContact CG-CB 4.16Å; M412-M422 WeakPolarHBondContact CG-O 3.45Å; M412-M422 PolarHBondContact N-O 3.2Å; M412-A427 HydrophobicContact CG-CB 3.67Å; M412-A427 HydrophobicContact SD-CB 3.59Å; M412-A427 VanDerWaalsContact SD-CB 3.59Å
413	T	93.8	Very high	91.2	Very high	24 Å²	24	44.9 Å²	44.9	15%	0.147	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-69.6	166.7	177.2	55.5	0	0	0	0	112	T404 C405 T407 D415 C416 A420	T404-T413 PolarHBondContact O-OG1 3.12Å; C405-T413 PolarHBondContact O-N 3.01Å; C405-T413 PolarHBondContact O-OG1 3.25Å; T407-T413 HydrophobicContact CG2-CG2 4Å; T413-D415 PolarHBondContact O-N 3.37Å; T413-C416 VanDerWaalsContact O-CB 3.32Å; T413-C416 WeakPolarHBondContact O-CB 3.13Å; T413-C416 PolarHBondContact O-N 3.01Å; T413-C416 VanDerWaalsContact O-N 3.15Å; T413-C416 PolarHBondContact OG1-SG 3.07Å; T413-C416 VanDerWaalsContact OG1-SG 3.36Å; T413-A420 WeakPolarHBondContact O-CB 3.12Å
414	A	89	Confident	91.3	Very high	86 Å²	86	43.4 Å²	43.4	71%	0.711	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-60.3	-30.3	176.8	0	0	0	0	0	112.6	C416 G417	A414-C416 PolarHBondContact O-N 3Å; A414-G417 PolarHBondContact O-N 3.19Å
415	D	85.7	Confident	91.4	Very high	121 Å²	121	41.6 Å²	41.6	65%	0.647	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-70.8	-8.5	179.8	-59.6	-33.7	0	0	0	113.4	T413 G417	T413-D415 PolarHBondContact O-N 3.37Å; D415-G417 PolarHBondContact O-N 3.4Å
416	C	90	Very high	91.4	Very high	2 Å²	2	44 Å²	44	1%	0.014	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-83.2	6.9	178.1	-65.7	0	0	0	0	113.7	L333 C405 M412 T413 A414 F419	L333-C416 HydrophobicContact CB-CB 4.42Å; L333-C416 HydrophobicContact CD1-CB 4.1Å; C405-C416 PolarHBondContact O-SG 2.98Å; M412-C416 HydrophobicContact CB-CB 4.03Å; M412-C416 HydrophobicContact CE-CB 3.83Å; M412-C416 WeakPolarHBondContact CE-SG 3.29Å; T413-C416 VanDerWaalsContact O-CB 3.32Å; T413-C416 WeakPolarHBondContact O-CB 3.13Å; T413-C416 PolarHBondContact O-N 3.01Å; T413-C416 VanDerWaalsContact O-N 3.15Å; T413-C416 PolarHBondContact OG1-SG 3.07Å; T413-C416 VanDerWaalsContact OG1-SG 3.36Å; A414-C416 PolarHBondContact O-N 3Å; C416-F419 WeakPolarHBondContact O-CD2 3Å; C416-F419 PolarHBondContact O-N 3.46Å
417	G	88.2	Confident	91.5	Very high	34 Å²	34	43.8 Å²	43.8	35%	0.351	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	61.3	-125.4	173.4	0	0	0	0	0	112.8	A414 D415 F419 A420	A414-G417 PolarHBondContact O-N 3.19Å; D415-G417 PolarHBondContact O-N 3.4Å; G417-F419 PolarHBondContact O-N 2.78Å; G417-A420 VanDerWaalsContact O-CB 3.31Å; G417-A420 WeakPolarHBondContact O-CB 3.24Å; G417-A420 PolarHBondContact O-N 3.08Å
418	P	90.9	Very high	91.6	Very high	90 Å²	90	42.7 Å²	42.7	58%	0.584	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-65.4	-11.9	-173.6	28.2	-34.8	0	0	0	114.1
419	F	94.3	Very high	91.9	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.031	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-97	-1.2	179.1	-48.7	-77.5	0	0	0	113	L333 F359 M412 C416 G417 G421 M422 E430 V431 A434	L333-F419 HydrophobicContact CD1-CB 3.97Å; L333-F419 HydrophobicContact CD1-CD2 3.63Å; L333-F419 HydrophobicContact CD1-CE2 4.41Å; L333-F419 HydrophobicContact CD1-CG 3.99Å; L333-F419 HydrophobicContact CD2-CD2 3.6Å; L333-F419 HydrophobicContact CD2-CE2 3.71Å; L333-F419 HydrophobicContact CG-CD2 4.29Å; F359-F419 HydrophobicContact CB-CE2 3.98Å; F359-F419 HydrophobicContact CD1-CE2 4.04Å; F359-F419 HydrophobicContact CD1-CZ 4.06Å; F359-F419 AromaticContact CD2-CE2 3.86Å; F359-F419 HydrophobicContact CD2-CE2 3.86Å; F359-F419 HydrophobicContact CD2-CZ 4.27Å; F359-F419 HydrophobicContact CE1-CZ 4.15Å; F359-F419 HydrophobicContact CE2-CE2 4.36Å; F359-F419 HydrophobicContact CE2-CZ 4.34Å; F359-F419 AromaticContact CG-CE2 3.68Å; F359-F419 HydrophobicContact CG-CE2 3.68Å; F359-F419 HydrophobicContact CG-CZ 4.12Å; F359-F419 HydrophobicContact CZ-CZ 4.28Å; M412-F419 WeakPolarHBondContact CB-O 3.27Å; M412-F419 HydrophobicContact CG-CB 4.34Å; M412-F419 VanDerWaalsContact CG-O 3.23Å; M412-F419 WeakPolarHBondContact CG-O 3.28Å; C416-F419 WeakPolarHBondContact O-CD2 3Å; C416-F419 PolarHBondContact O-N 3.46Å; G417-F419 PolarHBondContact O-N 2.78Å; F419-G421 PolarHBondContact O-N 3.27Å; F419-M422 HydrophobicContact CB-SD 4.26Å; F419-M422 HydrophobicContact CD1-SD 4.16Å; F419-M422 VanDerWaalsContact O-CB 3.3Å; F419-M422 WeakPolarHBondContact O-CB 3.26Å; F419-M422 WeakPolarHBondContact O-CG 3.47Å; F419-M422 PolarHBondContact O-N 3.5Å; F419-M422 VanDerWaalsContact O-N 3.15Å; F419-E430 HydrophobicContact CD1-CB 4.41Å; F419-E430 HydrophobicContact CD1-CG 4.14Å; F419-E430 HydrophobicContact CE1-CB 4.42Å; F419-E430 HydrophobicContact CE1-CG 4Å; F419-V431 HydrophobicContact CD1-CG2 3.74Å; F419-V431 HydrophobicContact CD2-CG2 4.06Å; F419-V431 HydrophobicContact CE1-CB 4.33Å; F419-V431 HydrophobicContact CE1-CG2 3.63Å; F419-V431 HydrophobicContact CE2-CG2 3.97Å; F419-V431 HydrophobicContact CG-CG2 3.95Å; F419-V431 HydrophobicContact CZ-CB 4.38Å; F419-V431 HydrophobicContact CZ-CG2 3.76Å; F419-A434 HydrophobicContact CE1-CB 4.18Å; F419-A434 HydrophobicContact CZ-CB 3.91Å
420	A	93.1	Very high	92.3	Very high	47 Å²	47	46.5 Å²	46.5	39%	0.388	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	137.3	-178.6	0	0	0	0	0	112.1	T413 G417 M422	T413-A420 WeakPolarHBondContact O-CB 3.12Å; G417-A420 VanDerWaalsContact O-CB 3.31Å; G417-A420 WeakPolarHBondContact O-CB 3.24Å; G417-A420 PolarHBondContact O-N 3.08Å; A420-M422 PolarHBondContact O-N 2.81Å
421	G	92.6	Very high	92.6	Very high	50 Å²	50	46.5 Å²	46.5	52%	0.515	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-9.4	-178.8	0	0	0	0	0	115.8	M412 F419	M412-G421 PolarHBondContact O-N 2.89Å; F419-G421 PolarHBondContact O-N 3.27Å
422	M	93.9	Very high	92.6	Very high	67 Å²	67	44.7 Å²	44.7	33%	0.33	26%	0.263	S	S	.	.			trans	-70.4	151.4	173.6	-63.3	-175.8	-176.5	0	0	111.2	L411 M412 F419 A420 A427 E430	L411-M422 CarbonylContact C-O 3.55Å; L411-M422 VanDerWaalsContact CA-O 3.27Å; L411-M422 WeakPolarHBondContact CA-O 3.4Å; M412-M422 HydrophobicContact CG-CB 4.16Å; M412-M422 WeakPolarHBondContact CG-O 3.45Å; M412-M422 PolarHBondContact N-O 3.2Å; F419-M422 HydrophobicContact CB-SD 4.26Å; F419-M422 HydrophobicContact CD1-SD 4.16Å; F419-M422 VanDerWaalsContact O-CB 3.3Å; F419-M422 WeakPolarHBondContact O-CB 3.26Å; F419-M422 WeakPolarHBondContact O-CG 3.47Å; F419-M422 PolarHBondContact O-N 3.5Å; F419-M422 VanDerWaalsContact O-N 3.15Å; A420-M422 PolarHBondContact O-N 2.81Å; M422-A427 HydrophobicContact CB-CB 4.13Å; M422-E430 HydrophobicContact CE-CG 4.22Å; M422-E430 HydrophobicContact SD-CB 4.21Å; M422-E430 HydrophobicContact SD-CG 4.17Å
423	K	92.2	Very high	92.6	Very high	91 Å²	91	48.3 Å²	48.3	40%	0.396	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-71.1	142.6	171.1	-68.3	179.9	175.2	176.6	0	110.5	G298 Y299 L411 F425 D426 A427	G298-K423 PolarHBondContact O-NZ 3.27Å; Y299-K423 HydrophobicContact CE1-CB 3.81Å; Y299-K423 HydrophobicContact CE1-CD 4.07Å; Y299-K423 WeakPolarHBondContact OH-CB 3.2Å; L411-K423 HydrophobicContact CD2-CB 4.38Å; L411-K423 HydrophobicContact CD2-CG 3.63Å; K423-F425 VanDerWaalsContact C-N 3.32Å; K423-F425 PolarHBondContact O-N 3.08Å; K423-F425 VanDerWaalsContact O-N 3.11Å; K423-D426 HydrophobicContact CB-CB 4.33Å; K423-D426 WeakPolarHBondContact O-CA 3.45Å; K423-D426 PolarHBondContact O-N 3.26Å; K423-A427 WeakPolarHBondContact O-CB 3.49Å; K423-A427 PolarHBondContact O-N 3.35Å
424	R	92.6	Very high	92.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-48.7	-42	-173.8	61.3	177.5	177.6	166.6	-1.7	115.6	Y299 F406 G410 R428 D477 V478 E480	Y299-R424 VanDerWaalsContact OH-CG 3.27Å; Y299-R424 WeakPolarHBondContact OH-CG 3.38Å; Y299-R424 PolarHBondContact OH-N 2.9Å; F406-R424 HydrophobicContact CD1-CB 3.81Å; F406-R424 HydrophobicContact CE1-CB 3.47Å; F406-R424 VanDerWaalsContact CE1-CB 3.47Å; F406-R424 HydrophobicContact CZ-CB 4.04Å; G410-R424 PolarHBondContact O-N 3.26Å; R424-R428 PolarHBondContact O-N 3.41Å; R424-D477 IonicContact NH2-OD1 2.98Å; R424-D477 PolarHBondContact NH2-OD1 3.27Å; R424-D477 IonicContact NH2-OD2 2.85Å; R424-V478 PolarHBondContact NH1-O 3.09Å; R424-V478 VanDerWaalsContact NH1-O 3.16Å; R424-V478 PolarHBondContact NH2-O 2.63Å; R424-E480 IonicContact CZ-OE2 3.66Å; R424-E480 IonicContact NH1-OE2 3.41Å; R424-E480 PolarHBondContact NH1-OE2 2.91Å
425	F	93.6	Very high	93	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-86.1	-21	-179.5	-56.7	-54	0	0	0	113.4	V296 Y299 V303 F305 K423 R428 R429 V478	V296-F425 HydrophobicContact CB-CD2 4.44Å; V296-F425 HydrophobicContact CB-CE2 4.36Å; V296-F425 HydrophobicContact CG1-CD2 3.98Å; V296-F425 HydrophobicContact CG1-CE2 3.62Å; V296-F425 HydrophobicContact CG2-CD2 4.36Å; V296-F425 HydrophobicContact CG2-CE2 4.14Å; Y299-F425 HydrophobicContact CD1-CB 4.27Å; Y299-F425 HydrophobicContact CD2-CD2 4.1Å; Y299-F425 HydrophobicContact CE1-CB 3.62Å; Y299-F425 HydrophobicContact CE1-CD2 4.11Å; Y299-F425 HydrophobicContact CE1-CG 4.35Å; Y299-F425 AromaticContact CE2-CD2 3.46Å; Y299-F425 HydrophobicContact CE2-CD2 3.46Å; Y299-F425 VanDerWaalsContact CE2-CD2 3.46Å; Y299-F425 HydrophobicContact CE2-CE2 4.15Å; Y299-F425 HydrophobicContact CE2-CG 4.44Å; Y299-F425 AromaticContact CZ-CD2 3.43Å; Y299-F425 VanDerWaalsContact CZ-CD2 3.43Å; Y299-F425 AromaticContact CZ-CG 4Å; Y299-F425 WeakPolarHBondContact OH-CD2 3.36Å; Y299-F425 PolarHBondContact OH-N 3.3Å; V303-F425 HydrophobicContact CB-CG 4.47Å; V303-F425 HydrophobicContact CG1-CB 3.79Å; V303-F425 HydrophobicContact CG1-CD1 3.79Å; V303-F425 HydrophobicContact CG1-CD2 4.19Å; V303-F425 HydrophobicContact CG1-CE1 4.45Å; V303-F425 HydrophobicContact CG1-CG 3.66Å; V303-F425 HydrophobicContact CG2-CB 3.87Å; V303-F425 HydrophobicContact CG2-CD2 4Å; V303-F425 HydrophobicContact CG2-CG 4.04Å; F305-F425 HydrophobicContact CE1-CE1 4.23Å; F305-F425 HydrophobicContact CZ-CD1 4.5Å; F305-F425 AromaticContact CZ-CE1 3.9Å; F305-F425 HydrophobicContact CZ-CE1 3.9Å; F305-F425 AromaticContact CZ-CZ 3.95Å; F305-F425 HydrophobicContact CZ-CZ 3.95Å; K423-F425 VanDerWaalsContact C-N 3.32Å; K423-F425 PolarHBondContact O-N 3.08Å; K423-F425 VanDerWaalsContact O-N 3.11Å; F425-R428 WeakPolarHBondContact O-CB 3.4Å; F425-R429 PolarHBondContact O-N 3.33Å; F425-V478 HydrophobicContact CZ-CB 4.11Å; F425-V478 HydrophobicContact CZ-CG1 4.38Å; F425-V478 HydrophobicContact CZ-CG2 4.47Å
426	D	93.2	Very high	93.4	Very high	50 Å²	50	42.1 Å²	42.1	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-72.6	-41.3	167.3	-67.9	-38.8	0	0	0	109.9	K423 R428 R429 E430	K423-D426 HydrophobicContact CB-CB 4.33Å; K423-D426 WeakPolarHBondContact O-CA 3.45Å; K423-D426 PolarHBondContact O-N 3.26Å; D426-R428 VanDerWaalsContact C-N 3.29Å; D426-R428 PolarHBondContact O-N 2.9Å; D426-R429 PolarHBondContact O-N 3.13Å; D426-R429 VanDerWaalsContact O-N 3.13Å; D426-R429 IonicContact OD1-CZ 3.11Å; D426-R429 IonicContact OD1-NH1 2.8Å; D426-R429 PolarHBondContact OD1-NH1 3.02Å; D426-R429 IonicContact OD1-NH2 3.89Å; D426-E430 PolarHBondContact O-N 3.02Å
427	A	94.1	Very high	93.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-38.8	171.6	0	0	0	0	0	111.4	M412 M422 K423 R429 E430 V431	M412-A427 HydrophobicContact CG-CB 3.67Å; M412-A427 HydrophobicContact SD-CB 3.59Å; M412-A427 VanDerWaalsContact SD-CB 3.59Å; M422-A427 HydrophobicContact CB-CB 4.13Å; K423-A427 WeakPolarHBondContact O-CB 3.49Å; K423-A427 PolarHBondContact O-N 3.35Å; A427-R429 VanDerWaalsContact C-N 3.31Å; A427-R429 PolarHBondContact O-N 3.25Å; A427-E430 PolarHBondContact O-N 2.89Å; A427-V431 VanDerWaalsContact O-CB 3.28Å; A427-V431 WeakPolarHBondContact O-CB 3.41Å; A427-V431 WeakPolarHBondContact O-CG2 3.37Å; A427-V431 PolarHBondContact O-N 3.45Å
428	R	94.8	Very high	93.9	Very high	26 Å²	26	54 Å²	54	10%	0.098	27%	0.268	C	S	.	.	H	α-helix	trans	-53.1	-47.3	172.6	-178.6	-177.3	-69.3	177.5	-3.2	112.1	E304 E330 R424 F425 D426 T432	E304-R428 PolarHBondContact O-NH1 2.91Å; E330-R428 HydrophobicContact CB-CB 4.05Å; E330-R428 VanDerWaalsContact CD-NE 3.3Å; E330-R428 HydrophobicContact CG-CB 4.41Å; E330-R428 IonicContact OE1-CZ 3.55Å; E330-R428 IonicContact OE1-NE 2.72Å; E330-R428 PolarHBondContact OE1-NE 3.35Å; E330-R428 IonicContact OE1-NH2 3.74Å; E330-R428 PolarHBondContact OE1-NH2 3.47Å; E330-R428 WeakPolarHBondContact OE2-CB 3.45Å; E330-R428 VanDerWaalsContact OE2-CG 3.27Å; E330-R428 WeakPolarHBondContact OE2-CG 3.22Å; E330-R428 IonicContact OE2-CZ 2.66Å; E330-R428 IonicContact OE2-NE 3.53Å; E330-R428 PolarHBondContact OE2-NE 2.81Å; E330-R428 IonicContact OE2-NH2 3.49Å; R424-R428 PolarHBondContact O-N 3.41Å; F425-R428 WeakPolarHBondContact O-CB 3.4Å; D426-R428 VanDerWaalsContact C-N 3.29Å; D426-R428 PolarHBondContact O-N 2.9Å; R428-T432 WeakPolarHBondContact O-CB 3.16Å; R428-T432 PolarHBondContact O-N 2.74Å; R428-T432 PolarHBondContact O-OG1 2.7Å
429	R	93.4	Very high	94	Very high	142 Å²	142	52 Å²	52	54%	0.536	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-48.8	177.6	-58	-162.9	-38.9	-91.7	-8.1	110.9	F425 D426 A427 V431 T432 E433	F425-R429 PolarHBondContact O-N 3.33Å; D426-R429 PolarHBondContact O-N 3.13Å; D426-R429 VanDerWaalsContact O-N 3.13Å; D426-R429 IonicContact OD1-CZ 3.11Å; D426-R429 IonicContact OD1-NH1 2.8Å; D426-R429 PolarHBondContact OD1-NH1 3.02Å; D426-R429 IonicContact OD1-NH2 3.89Å; A427-R429 VanDerWaalsContact C-N 3.31Å; A427-R429 PolarHBondContact O-N 3.25Å; R429-V431 PolarHBondContact O-N 2.9Å; R429-T432 WeakPolarHBondContact O-CB 3.45Å; R429-T432 PolarHBondContact O-N 3.11Å; R429-E433 PolarHBondContact O-N 3.31Å
430	E	94.9	Very high	94	Very high	69 Å²	69	52.8 Å²	52.8	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-38.8	-174.5	-169.3	54.5	-141.8	0	0	112.7	F419 M422 D426 A427 T432 E433 A434 R437	F419-E430 HydrophobicContact CD1-CB 4.41Å; F419-E430 HydrophobicContact CD1-CG 4.14Å; F419-E430 HydrophobicContact CE1-CB 4.42Å; F419-E430 HydrophobicContact CE1-CG 4Å; M422-E430 HydrophobicContact CE-CG 4.22Å; M422-E430 HydrophobicContact SD-CB 4.21Å; M422-E430 HydrophobicContact SD-CG 4.17Å; D426-E430 PolarHBondContact O-N 3.02Å; A427-E430 PolarHBondContact O-N 2.89Å; E430-T432 VanDerWaalsContact C-N 3.33Å; E430-E433 PolarHBondContact O-N 3.28Å; E430-A434 VanDerWaalsContact O-CB 3.27Å; E430-A434 WeakPolarHBondContact O-CB 3.23Å; E430-A434 PolarHBondContact O-N 2.89Å; E430-R437 IonicContact OE1-CZ 2.76Å; E430-R437 IonicContact OE1-NH1 2.95Å; E430-R437 PolarHBondContact OE1-NH1 2.74Å; E430-R437 IonicContact OE1-NH2 3.91Å; E430-R437 PolarHBondContact OE1-NH2 3.25Å
431	V	95.1	Very high	94.1	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-42.6	173.9	175.5	0	0	0	0	110.1	V329 M332 L333 F359 F419 A427 R429 E433 A434 L435	V329-V431 HydrophobicContact CG1-CB 4.25Å; V329-V431 HydrophobicContact CG1-CG1 3.63Å; M332-V431 HydrophobicContact CG-CG1 4.09Å; M332-V431 HydrophobicContact SD-CG1 3.9Å; L333-V431 HydrophobicContact CD1-CG2 3.92Å; L333-V431 HydrophobicContact CG-CG2 4.44Å; F359-V431 HydrophobicContact CE2-CG1 3.84Å; F359-V431 HydrophobicContact CZ-CG1 4.45Å; F419-V431 HydrophobicContact CD1-CG2 3.74Å; F419-V431 HydrophobicContact CD2-CG2 4.06Å; F419-V431 HydrophobicContact CE1-CB 4.33Å; F419-V431 HydrophobicContact CE1-CG2 3.63Å; F419-V431 HydrophobicContact CE2-CG2 3.97Å; F419-V431 HydrophobicContact CG-CG2 3.95Å; F419-V431 HydrophobicContact CZ-CB 4.38Å; F419-V431 HydrophobicContact CZ-CG2 3.76Å; A427-V431 VanDerWaalsContact O-CB 3.28Å; A427-V431 WeakPolarHBondContact O-CB 3.41Å; A427-V431 WeakPolarHBondContact O-CG2 3.37Å; A427-V431 PolarHBondContact O-N 3.45Å; R429-V431 PolarHBondContact O-N 2.9Å; V431-E433 PolarHBondContact O-N 3.31Å; V431-A434 PolarHBondContact O-N 2.68Å; V431-L435 HydrophobicContact CG1-CD1 4.28Å; V431-L435 HydrophobicContact CG1-CG 4.48Å; V431-L435 WeakPolarHBondContact O-CG 3.46Å; V431-L435 PolarHBondContact O-N 2.94Å
432	T	94.2	Very high	94.2	Very high	20 Å²	20	53.7 Å²	53.7	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-44.8	177.2	-56.8	0	0	0	0	111.3	R428 R429 E430 L435 K436 F441	R428-T432 WeakPolarHBondContact O-CB 3.16Å; R428-T432 PolarHBondContact O-N 2.74Å; R428-T432 PolarHBondContact O-OG1 2.7Å; R429-T432 WeakPolarHBondContact O-CB 3.45Å; R429-T432 PolarHBondContact O-N 3.11Å; E430-T432 VanDerWaalsContact C-N 3.33Å; T432-L435 PolarHBondContact O-N 3.25Å; T432-K436 WeakPolarHBondContact O-CG 3.4Å; T432-K436 PolarHBondContact O-N 3.39Å; T432-F441 HydrophobicContact CG2-CD2 4.04Å; T432-F441 HydrophobicContact CG2-CE2 3.91Å
433	E	95.5	Very high	94.2	Very high	80 Å²	80	55.2 Å²	55.2	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-66.5	-37.4	175.2	-68.3	-53.8	129.8	0	0	112.3	R429 E430 V431 L435 K436 R437	R429-E433 PolarHBondContact O-N 3.31Å; E430-E433 PolarHBondContact O-N 3.28Å; V431-E433 PolarHBondContact O-N 3.31Å; E433-L435 VanDerWaalsContact C-N 3.35Å; E433-L435 PolarHBondContact O-N 3.04Å; E433-K436 WeakPolarHBondContact O-CB 3.49Å; E433-K436 PolarHBondContact O-N 3.33Å; E433-K436 IonicContact OE1-NZ 3.31Å; E433-K436 PolarHBondContact OE1-NZ 2.82Å; E433-R437 WeakPolarHBondContact O-CG 3.38Å; E433-R437 PolarHBondContact O-N 3.13Å
434	A	95.1	Very high	94.4	Very high	8 Å²	8	53 Å²	53	7%	0.066	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-37.4	174.7	0	0	0	0	0	112.4	F359 F419 E430 V431 R437 K438	F359-A434 HydrophobicContact CE1-CB 3.59Å; F359-A434 HydrophobicContact CZ-CB 3.74Å; F419-A434 HydrophobicContact CE1-CB 4.18Å; F419-A434 HydrophobicContact CZ-CB 3.91Å; E430-A434 VanDerWaalsContact O-CB 3.27Å; E430-A434 WeakPolarHBondContact O-CB 3.23Å; E430-A434 PolarHBondContact O-N 2.89Å; V431-A434 PolarHBondContact O-N 2.68Å; A434-R437 PolarHBondContact O-N 2.87Å; A434-K438 PolarHBondContact O-N 2.7Å; A434-K438 VanDerWaalsContact O-N 3.09Å
435	L	95	Very high	94.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-41.3	173.1	-74.9	170.3	0	0	0	111.4	F311 V329 M332 P358 F359 V431 T432 E433 K438 G439 L440 F441	F311-L435 HydrophobicContact CB-CD1 3.87Å; F311-L435 HydrophobicContact CD1-CD1 4.47Å; F311-L435 HydrophobicContact CD2-CD1 4.11Å; F311-L435 HydrophobicContact CD2-CD2 4.14Å; F311-L435 HydrophobicContact CG-CD1 3.9Å; V329-L435 HydrophobicContact CG1-CD1 3.85Å; M332-L435 HydrophobicContact SD-CD1 4.12Å; M332-L435 HydrophobicContact SD-CD2 4.22Å; M332-L435 HydrophobicContact SD-CG 4.49Å; P358-L435 HydrophobicContact CB-CD2 4.4Å; P358-L435 HydrophobicContact CG-CD2 4.38Å; F359-L435 HydrophobicContact CE2-CD2 3.81Å; F359-L435 HydrophobicContact CE2-CG 3.99Å; F359-L435 HydrophobicContact CZ-CD2 3.71Å; F359-L435 HydrophobicContact CZ-CG 3.77Å; V431-L435 HydrophobicContact CG1-CD1 4.28Å; V431-L435 HydrophobicContact CG1-CG 4.48Å; V431-L435 WeakPolarHBondContact O-CG 3.46Å; V431-L435 PolarHBondContact O-N 2.94Å; T432-L435 PolarHBondContact O-N 3.25Å; E433-L435 VanDerWaalsContact C-N 3.35Å; E433-L435 PolarHBondContact O-N 3.04Å; L435-K438 CarbonylContact O-C 3.6Å; L435-K438 PolarHBondContact O-N 2.93Å; L435-G439 PolarHBondContact O-N 2.97Å; L435-G439 VanDerWaalsContact O-N 3.17Å; L435-L440 HydrophobicContact CD2-CB 4.02Å; L435-L440 PolarHBondContact O-N 3.42Å; L435-F441 HydrophobicContact CB-CB 4.13Å; L435-F441 PolarHBondContact O-N 3.18Å
436	K	95.2	Very high	94.5	Very high	94 Å²	94	61.7 Å²	61.7	41%	0.409	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-46.4	173.5	-70.4	174	-174.3	170	0	111.5	T432 E433 K438 G439 F441	T432-K436 WeakPolarHBondContact O-CG 3.4Å; T432-K436 PolarHBondContact O-N 3.39Å; E433-K436 WeakPolarHBondContact O-CB 3.49Å; E433-K436 PolarHBondContact O-N 3.33Å; E433-K436 IonicContact OE1-NZ 3.31Å; E433-K436 PolarHBondContact OE1-NZ 2.82Å; K436-K438 PolarHBondContact O-N 2.9Å; K436-G439 PolarHBondContact O-N 2.89Å; K436-F441 HydrophobicContact CB-CB 4.34Å; K436-F441 HydrophobicContact CG-CB 3.64Å; K436-F441 HydrophobicContact CG-CD1 3.84Å; K436-F441 HydrophobicContact CG-CD2 4.14Å; K436-F441 HydrophobicContact CG-CG 3.6Å
437	R	95.2	Very high	94.4	Very high	163 Å²	163	60.3 Å²	60.3	62%	0.615	29%	0.292	S	S	*	.	H	α-helix	trans	-60	-30.7	176.9	-71.6	-172.9	-61.7	-107.9	7.2	113	E430 E433 A434	E430-R437 IonicContact OE1-CZ 2.76Å; E430-R437 IonicContact OE1-NH1 2.95Å; E430-R437 PolarHBondContact OE1-NH1 2.74Å; E430-R437 IonicContact OE1-NH2 3.91Å; E430-R437 PolarHBondContact OE1-NH2 3.25Å; E433-R437 WeakPolarHBondContact O-CG 3.38Å; E433-R437 PolarHBondContact O-N 3.13Å; A434-R437 PolarHBondContact O-N 2.87Å
438	K	92.1	Very high	94.3	Very high	122 Å²	122	64.5 Å²	64.5	53%	0.53	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.3	175	-71.2	-163.3	172.8	-156.9	0	114.6	P358 F359 A434 L435 K436 L440	P358-K438 PolarHBondContact O-NZ 3.13Å; F359-K438 HydrophobicContact CE1-CD 4.12Å; A434-K438 PolarHBondContact O-N 2.7Å; A434-K438 VanDerWaalsContact O-N 3.09Å; L435-K438 CarbonylContact O-C 3.6Å; L435-K438 PolarHBondContact O-N 2.93Å; K436-K438 PolarHBondContact O-N 2.9Å; K438-L440 HydrophobicContact CB-CD1 4.11Å; K438-L440 HydrophobicContact CB-CG 4.15Å; K438-L440 PolarHBondContact O-N 3.42Å
439	G	93.5	Very high	94.1	Very high	49 Å²	49	65 Å²	65	51%	0.505	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	20.2	-176.7	0	0	0	0	0	114.4	L435 K436	L435-G439 PolarHBondContact O-N 2.97Å; L435-G439 VanDerWaalsContact O-N 3.17Å; K436-G439 PolarHBondContact O-N 2.89Å
440	L	94	Very high	93.9	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.115	32%	0.318	C	S	.	.			trans	-100.9	-12.5	-178.2	-65.4	176.1	0	0	0	113.1	F311 A312 P314 P358 L435 K438	F311-L440 CarbonylContact C-O 3.59Å; F311-L440 WeakPolarHBondContact CA-O 3.29Å; A312-L440 HydrophobicContact CB-CD2 4.41Å; A312-L440 PolarHBondContact N-O 3.41Å; P314-L440 HydrophobicContact CG-CD1 4.34Å; P314-L440 HydrophobicContact CG-CD2 4.07Å; P358-L440 HydrophobicContact CB-CD1 3.69Å; P358-L440 HydrophobicContact CG-CD1 3.79Å; L435-L440 HydrophobicContact CD2-CB 4.02Å; L435-L440 PolarHBondContact O-N 3.42Å; K438-L440 HydrophobicContact CB-CD1 4.11Å; K438-L440 HydrophobicContact CB-CG 4.15Å; K438-L440 PolarHBondContact O-N 3.42Å
441	F	95.8	Very high	93.6	Very high	53 Å²	53	58.5 Å²	58.5	23%	0.232	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.4	170.9	176.4	-90.3	0	0	0	110.4	V309 T432 L435 K436 V444	V309-F441 HydrophobicContact CG1-CD2 4.19Å; V309-F441 HydrophobicContact CG1-CE2 3.79Å; T432-F441 HydrophobicContact CG2-CD2 4.04Å; T432-F441 HydrophobicContact CG2-CE2 3.91Å; L435-F441 HydrophobicContact CB-CB 4.13Å; L435-F441 PolarHBondContact O-N 3.18Å; K436-F441 HydrophobicContact CB-CB 4.34Å; K436-F441 HydrophobicContact CG-CB 3.64Å; K436-F441 HydrophobicContact CG-CD1 3.84Å; K436-F441 HydrophobicContact CG-CD2 4.14Å; K436-F441 HydrophobicContact CG-CG 3.6Å; F441-V444 HydrophobicContact CE2-CG2 3.54Å; F441-V444 HydrophobicContact CZ-CB 4.42Å; F441-V444 HydrophobicContact CZ-CG2 3.43Å; F441-V444 VanDerWaalsContact CZ-CG2 3.43Å
442	V	94.6	Very high	93.2	Very high	64 Å²	64	60.8 Å²	60.8	39%	0.388	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-65.9	179.5	-178.7	0	0	0	0	110.7	S310 V323	S310-V442 WeakPolarHBondContact O-CB 3.22Å; S310-V442 PolarHBondContact O-N 2.93Å; V323-V442 HydrophobicContact CG1-CB 4.33Å; V323-V442 HydrophobicContact CG1-CG2 3.77Å; V323-V442 HydrophobicContact CG2-CG2 4.21Å
443	E	95.2	Very high	92.7	Very high	98 Å²	98	61.1 Å²	61.1	46%	0.458	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	167.9	-176.6	64.5	-179.5	167.6	0	0	112.4	S310 V445	S310-E443 PolarHBondContact N-O 2.89Å; S310-E443 PolarHBondContact O-N 3.04Å; E443-V445 HydrophobicContact CG-CG1 4.41Å
444	V	95	Very high	91.5	Very high	45 Å²	45	57.4 Å²	57.4	27%	0.273	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.9	170	174.5	0	0	0	0	107.4	V307 L308 V309 F441	V307-V444 HydrophobicContact CB-CG1 3.81Å; V307-V444 HydrophobicContact CG1-CG1 4.14Å; V307-V444 HydrophobicContact CG2-CG1 4.27Å; L308-V444 WeakPolarHBondContact O-CA 3.48Å; V309-V444 HydrophobicContact CB-CG2 4.38Å; V309-V444 HydrophobicContact CG1-CG2 3.99Å; V309-V444 HydrophobicContact CG2-CG2 4.01Å; F441-V444 HydrophobicContact CE2-CG2 3.54Å; F441-V444 HydrophobicContact CZ-CB 4.42Å; F441-V444 HydrophobicContact CZ-CG2 3.43Å; F441-V444 VanDerWaalsContact CZ-CG2 3.43Å
445	V	94.2	Very high	89.7	Confident	58 Å²	58	60.2 Å²	60.2	35%	0.352	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	154.1	178	-62.4	0	0	0	0	110.7	V307 L308 E443	V307-V445 CarbonylContact C-O 3.59Å; V307-V445 VanDerWaalsContact CA-O 3.29Å; V307-V445 WeakPolarHBondContact CA-O 3.34Å; L308-V445 HydrophobicContact CB-CG2 3.97Å; L308-V445 HydrophobicContact CD2-CG2 4.47Å; L308-V445 PolarHBondContact N-O 3.33Å; L308-V445 PolarHBondContact O-N 2.73Å; E443-V445 HydrophobicContact CG-CG1 4.41Å
446	E	93.7	Very high	87.6	Confident	132 Å²	132	61.5 Å²	61.5	62%	0.617	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.3	173.3	-61.1	-162	168.7	0	0	110.3	R291	R291-E446 HydrophobicContact CB-CG 3.99Å
447	N	91.7	Very high	85	Confident	22 Å²	22	61.6 Å²	61.6	12%	0.118	32%	0.315	C	S	.	.			trans	-143.9	120.1	-177.9	178.1	65.1	0	0	0	110.7	G306 L308 M449	G306-N447 CarbonylContact C-O 3.58Å; G306-N447 VanDerWaalsContact C-O 3.22Å; G306-N447 VanDerWaalsContact CA-O 3.28Å; G306-N447 WeakPolarHBondContact CA-O 3.29Å; G306-N447 PolarHBondContact O-N 2.84Å; L308-N447 HydrophobicContact CB-CB 3.69Å; N447-M449 PolarHBondContact O-N 3.12Å
448	P	91.4	Very high	82.2	Confident	87 Å²	87	54.8 Å²	54.8	57%	0.565	29%	0.293	S	S	*	.			trans	-55.8	134.1	168.3	-21.2	31.3	0	0	0	110.6	L288	L288-P448 CarbonylContact O-C 3.58Å; L288-P448 VanDerWaalsContact O-CA 3.23Å; L288-P448 WeakPolarHBondContact O-CA 3.16Å
449	M	91.2	Very high	79.2	Confident	37 Å²	37	51.6 Å²	51.6	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	163.5	-179.3	73.1	175.9	-63.2	0	0	112.5	L288 F305 G306 T327 N447 V451	L288-M449 HydrophobicContact CB-CG 4.31Å; L288-M449 HydrophobicContact CD1-CG 4.13Å; L288-M449 PolarHBondContact N-O 2.83Å; L288-M449 PolarHBondContact O-N 3.4Å; F305-M449 HydrophobicContact CB-SD 4.33Å; G306-M449 PolarHBondContact N-SD 2.9Å; T327-M449 HydrophobicContact CG2-CE 4.46Å; T327-M449 HydrophobicContact CG2-SD 4.45Å; N447-M449 PolarHBondContact O-N 3.12Å; M449-V451 HydrophobicContact CE-CG2 3.87Å; M449-V451 HydrophobicContact CG-CG2 4.22Å; M449-V451 HydrophobicContact SD-CG2 4.1Å
450	V	89.9	Confident	76.4	Confident	73 Å²	73	50.6 Å²	50.6	44%	0.442	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.7	171.1	-177	0	0	0	0	109	K285 L286 E287	K285-V450 HydrophobicContact CB-CG1 3.62Å; K285-V450 HydrophobicContact CD-CG1 4.39Å; K285-V450 HydrophobicContact CG-CG1 4.03Å; L286-V450 CarbonylContact O-C 3.6Å; L286-V450 WeakPolarHBondContact O-CA 3.39Å; E287-V450 HydrophobicContact CG-CG2 4.22Å
451	V	88.2	Confident	73	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.4	174.8	-179.5	0	0	0	0	108.8	L286 L288 L294 F305 M449 I453 V478	L286-V451 HydrophobicContact CB-CB 4.46Å; L286-V451 WeakPolarHBondContact CB-O 3.41Å; L286-V451 PolarHBondContact N-O 3.34Å; L286-V451 PolarHBondContact O-N 2.65Å; L288-V451 HydrophobicContact CD1-CG2 3.55Å; L288-V451 HydrophobicContact CG-CG2 4.26Å; L294-V451 HydrophobicContact CD1-CG1 4.4Å; F305-V451 HydrophobicContact CB-CG2 4.27Å; F305-V451 HydrophobicContact CD1-CG2 4Å; F305-V451 HydrophobicContact CG-CG2 4.27Å; M449-V451 HydrophobicContact CE-CG2 3.87Å; M449-V451 HydrophobicContact CG-CG2 4.22Å; M449-V451 HydrophobicContact SD-CG2 4.1Å; V451-I453 PolarHBondContact O-N 3.48Å; V451-V478 HydrophobicContact CG1-CB 4.5Å; V451-V478 HydrophobicContact CG1-CG1 3.87Å; V451-V478 HydrophobicContact CG1-CG2 3.95Å
452	P	87.2	Confident	69.7	Low	47 Å²	47	61.2 Å²	61.2	31%	0.305	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.1	173.9	31	-32.7	0	0	0	109.2	V283 D284 V479	V283-P452 HydrophobicContact CG1-CB 3.59Å; D284-P452 WeakPolarHBondContact O-CA 3.34Å; P452-V479 HydrophobicContact CB-CB 4.07Å; P452-V479 HydrophobicContact CG-CB 4.25Å; P452-V479 PolarHBondContact O-N 3.38Å
453	I	83.1	Confident	66.5	Low	27 Å²	27	61.7 Å²	61.7	14%	0.138	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.9	177.3	20.1	173.5	0	0	0	109.8	D284 L286 V451 R455 R476 D477 V478	D284-I453 HydrophobicContact CB-CG1 4.4Å; D284-I453 PolarHBondContact N-O 3.02Å; D284-I453 PolarHBondContact O-N 3.47Å; L286-I453 HydrophobicContact CB-CD1 3.63Å; L286-I453 HydrophobicContact CB-CG1 3.91Å; L286-I453 HydrophobicContact CD2-CD1 3.93Å; L286-I453 HydrophobicContact CG-CD1 4.27Å; V451-I453 PolarHBondContact O-N 3.48Å; I453-R455 PolarHBondContact O-N 3.5Å; I453-R455 VanDerWaalsContact O-N 3.14Å; I453-R476 WeakPolarHBondContact CG2-O 3.36Å; I453-D477 WeakPolarHBondContact CA-O 3.49Å; I453-V478 HydrophobicContact CG2-CG2 4.33Å
454	C	69.4	Low	63.4	Low	2 Å²	2	60 Å²	60	1%	0.014	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	123	175.8	-59.4	0	0	0	0	109.1	S271 I278 Q456 D477	S271-C454 VanDerWaalsContact CB-SG 3.59Å; I278-C454 HydrophobicContact CD1-CB 4.01Å; I278-C454 WeakPolarHBondContact CD1-SG 3.27Å; C454-Q456 PolarHBondContact O-N 2.87Å; C454-D477 PolarHBondContact N-O 2.69Å; C454-D477 PolarHBondContact SG-O 2.91Å
455	R	58.6	Low	60.2	Low	68 Å²	68	62.4 Å²	62.4	26%	0.257	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-62.5	126.1	-177.9	-178.2	162.7	-166.4	-174.9	2.6	110	I281 E282 D284 I453 Y457	I281-R455 PolarHBondContact O-NH1 2.89Å; E282-R455 WeakPolarHBondContact O-CA 3.25Å; E282-R455 WeakPolarHBondContact O-CB 3.38Å; E282-R455 PolarHBondContact O-N 3.42Å; D284-R455 VanDerWaalsContact OD1-CD 3.26Å; D284-R455 WeakPolarHBondContact OD1-CD 3.42Å; D284-R455 VanDerWaalsContact OD1-CG 3.23Å; D284-R455 WeakPolarHBondContact OD1-CG 3.49Å; D284-R455 IonicContact OD1-NE 2.7Å; D284-R455 PolarHBondContact OD1-NE 3.47Å; D284-R455 WeakPolarHBondContact OD2-CA 3.47Å; D284-R455 WeakPolarHBondContact OD2-CG 3.47Å; I453-R455 PolarHBondContact O-N 3.5Å; I453-R455 VanDerWaalsContact O-N 3.14Å; R455-Y457 PolarHBondContact O-N 3.49Å
456	Q	50.7	Low	57.3	Low	27 Å²	27	64.2 Å²	64.2	13%	0.126	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-74.9	120.7	171.6	-161.1	179	-20.7	0	0	107.3	C454 S458 S460 R476	C454-Q456 PolarHBondContact O-N 2.87Å; Q456-S458 WeakPolarHBondContact CG-O 3.3Å; Q456-S458 WeakPolarHBondContact CG-OG 3.48Å; Q456-S458 PolarHBondContact NE2-OG 3.5Å; Q456-S458 PolarHBondContact O-N 3.41Å; Q456-S460 PolarHBondContact OE1-O 3.36Å; Q456-R476 VanDerWaalsContact OE1-NE 3.08Å; Q456-R476 VanDerWaalsContact OE1-NH2 3.12Å
457	Y	40.2	Very low	54.5	Low	95 Å²	95	62.9 Å²	62.9	37%	0.373	34%	0.34	S	S	.	.	S	Bend	trans	-73.4	36.6	173.4	-104.6	-92.2	0	0	0	113.3	E282 R455 F635	E282-Y457 HydrophobicContact CG-CE2 4.04Å; R455-Y457 PolarHBondContact O-N 3.49Å; Y457-F635 WeakPolarHBondContact OH-CE1 3.41Å
458	S	35.6	Very low	51.7	Low	21 Å²	21	64.6 Å²	64.6	15%	0.147	35%	0.352	C	S	.	.	S	Bend	trans	-162.1	102.7	174	62.7	0	0	0	0	104.4	Q456 S460 S673	Q456-S458 WeakPolarHBondContact CG-O 3.3Å; Q456-S458 WeakPolarHBondContact CG-OG 3.48Å; Q456-S458 PolarHBondContact NE2-OG 3.5Å; Q456-S458 PolarHBondContact O-N 3.41Å; S458-S460 PolarHBondContact O-N 3.1Å; S458-S673 VanDerWaalsContact C-OG 3.3Å; S458-S673 VanDerWaalsContact CB-CB 3.41Å; S458-S673 WeakPolarHBondContact CB-OG 3.49Å; S458-S673 PolarHBondContact O-OG 3.42Å; S458-S673 VanDerWaalsContact O-OG 3.08Å; S458-S673 WeakPolarHBondContact OG-CB 3.5Å; S458-S673 PolarHBondContact OG-OG 2.96Å
459	D	31	Very low	49.1	Very low	55 Å²	55	65.4 Å²	65.4	29%	0.294	35%	0.352	S	S	.	.			trans	-59.4	107.2	-168.7	-48.1	-101.5	0	0	0	110.1	K669 S671 L674	D459-K669 HydrophobicContact CB-CD 4.24Å; D459-K669 IonicContact OD1-NZ 3.31Å; D459-K669 PolarHBondContact OD1-NZ 3.13Å; D459-K669 WeakPolarHBondContact OD2-CD 3.06Å; D459-K669 WeakPolarHBondContact OD2-CE 3.35Å; D459-K669 IonicContact OD2-NZ 3.02Å; D459-K669 PolarHBondContact OD2-NZ 3.14Å; D459-S671 PolarHBondContact O-OG 2.8Å; D459-L674 WeakPolarHBondContact O-CD1 3.36Å
460	S	33.1	Very low	46.7	Very low	28 Å²	28	70.1 Å²	70.1	20%	0.196	37%	0.371	C	S	.	.			trans	-157.6	121.2	166.5	-48.3	0	0	0	0	110	Q456 S458 R476 S673 L674	Q456-S460 PolarHBondContact OE1-O 3.36Å; S458-S460 PolarHBondContact O-N 3.1Å; S460-R476 PolarHBondContact O-NH2 3.45Å; S460-S673 PolarHBondContact OG-OG 3.3Å; S460-L674 WeakPolarHBondContact OG-CD2 3.49Å; S460-L674 WeakPolarHBondContact OG-CG 3.27Å
461	V	23.6	Very low	44.3	Very low	107 Å²	107	70.9 Å²	70.9	65%	0.648	37%	0.373	S	S	*	.			trans	-69.7	150	157	-178.2	0	0	0	0	107.4
462	Y	27	Very low	41.8	Very low	191 Å²	191	72.1 Å²	72.1	75%	0.749	38%	0.381	S	S	*	.			trans	96.4	122.6	172.9	-58.9	-76.2	0	0	0	119.4	R476	Y462-R476 VanDerWaalsContact O-CZ 3.3Å; Y462-R476 PolarHBondContact O-NH1 2.97Å; Y462-R476 PolarHBondContact O-NH2 2.8Å
463	V	26.9	Very low	39.3	Very low	73 Å²	73	71.5 Å²	71.5	44%	0.442	38%	0.377	S	S	.	.			trans	-78.2	129.1	-176.1	177.9	0	0	0	0	110.6	R476	V463-R476 VanDerWaalsContact CA-NH1 3.3Å
464	V	29	Very low	37.7	Very low	64 Å²	64	71 Å²	71	39%	0.388	37%	0.374	S	S	.	.			trans	-111.4	115.8	160.3	-171.7	0	0	0	0	106.9	F466 A704	V464-F466 HydrophobicContact CB-CE2 4.34Å; V464-F466 HydrophobicContact CG1-CD2 4.4Å; V464-F466 HydrophobicContact CG1-CE2 3.91Å; V464-F466 PolarHBondContact O-N 3.43Å; V464-F466 VanDerWaalsContact O-N 3.14Å; V464-A704 HydrophobicContact CG1-CB 3.71Å; V464-A704 HydrophobicContact CG2-CB 4.13Å
465	S	29.5	Very low	37	Very low	94 Å²	94	71.7 Å²	71.7	66%	0.657	38%	0.379	S	S	*	.			trans	-61.1	109.5	173.8	-73.4	0	0	0	0	110.1
466	F	32.1	Very low	37.2	Very low	96 Å²	96	71.1 Å²	71.1	42%	0.421	38%	0.377	S	S	.	.			trans	-99.5	158.6	156.8	-82.4	-83.1	0	0	0	109.1	V464 T468 A703	V464-F466 HydrophobicContact CB-CE2 4.34Å; V464-F466 HydrophobicContact CG1-CD2 4.4Å; V464-F466 HydrophobicContact CG1-CE2 3.91Å; V464-F466 PolarHBondContact O-N 3.43Å; V464-F466 VanDerWaalsContact O-N 3.14Å; F466-T468 PolarHBondContact O-N 2.95Å; F466-A703 HydrophobicContact CZ-CB 4.17Å
467	P	34.9	Very low	38.4	Very low	104 Å²	104	70 Å²	70	68%	0.675	37%	0.371	S	S	*	.			trans	-52.6	128.7	178.4	-20.3	31	0	0	0	109.5	D469	P467-D469 PolarHBondContact O-N 3.04Å
468	T	33.5	Very low	40.6	Very low	58 Å²	58	66 Å²	66	36%	0.356	36%	0.357	S	S	.	.	S	Bend	trans	-74.5	25.9	-158.4	26.7	0	0	0	0	115	Y299 F466	Y299-T468 WeakPolarHBondContact O-CB 3.32Å; Y299-T468 WeakPolarHBondContact O-CG2 3.27Å; F466-T468 PolarHBondContact O-N 2.95Å
469	D	36.7	Very low	43.2	Very low	105 Å²	105	65.1 Å²	65.1	56%	0.561	35%	0.351	S	S	*	.	S	Bend	trans	-113.7	93.6	-176.9	-55.4	-34.5	0	0	0	108.9	P467	P467-D469 PolarHBondContact O-N 3.04Å
470	F	40.5	Very low	46	Very low	135 Å²	135	62.6 Å²	62.6	59%	0.592	34%	0.337	S	S	*	.			trans	78.8	29.8	154.6	-141.7	-93.9	0	0	0	120.7	W190 T196	W190-F470 HydrophobicContact CH2-CB 4.42Å; W190-F470 HydrophobicContact CZ2-CB 4.42Å; T196-F470 HydrophobicContact CG2-CD1 3.67Å; T196-F470 HydrophobicContact CG2-CE1 3.24Å; T196-F470 HydrophobicContact CG2-CZ 4.01Å
471	L	40.1	Very low	48.8	Very low	90 Å²	90	62.3 Å²	62.3	47%	0.471	34%	0.335	S	S	.	.			trans	-101.7	94.6	178.5	-87.5	161.4	0	0	0	114.5	W190	W190-L471 VanDerWaalsContact CD1-CD2 3.46Å; W190-L471 HydrophobicContact CG-CD2 4.24Å
472	C	34.3	Very low	52	Low	27 Å²	27	57.3 Å²	57.3	18%	0.182	30%	0.304	C	S	.	.			trans	-73.6	121.1	167.1	174.5	0	0	0	0	111.3	L274	L274-C472 WeakPolarHBondContact CD2-SG 3.29Å
473	S	36.3	Very low	55	Low	34 Å²	34	49.4 Å²	49.4	24%	0.238	28%	0.275	C	S	.	.	S	Bend	trans	-145	78.7	150.9	92.1	0	0	0	0	113.1	K187 S475	K187-S473 WeakPolarHBondContact CE-OG 3.42Å; K187-S473 PolarHBondContact NZ-OG 3.11Å; S473-S475 PolarHBondContact O-N 3.45Å
474	R	49.2	Very low	57.9	Low	18 Å²	18	47.8 Å²	47.8	7%	0.068	26%	0.262	C	S	.	.	S	Bend	trans	43.1	49.3	-161.6	-67.9	-163.4	178.8	-141.3	13.5	110.5	V183 E282 R476	V183-R474 HydrophobicContact CG2-CG 4.2Å; E282-R474 IonicContact OE1-CZ 3.75Å; E282-R474 IonicContact OE1-NH1 3.88Å; E282-R474 PolarHBondContact OE1-NH1 2.81Å; E282-R474 IonicContact OE1-NH2 2.74Å; E282-R474 PolarHBondContact OE1-NH2 2.91Å; R474-R476 PolarHBondContact O-N 2.86Å
475	S	54.7	Low	60.8	Low	16 Å²	16	45.7 Å²	45.7	11%	0.112	25%	0.251	C	S	.	.			trans	22	-34.8	171.1	66.1	0	0	0	0	121.8	P297 S473 D477	P297-S475 WeakPolarHBondContact CG-O 3.45Å; S473-S475 PolarHBondContact O-N 3.45Å; S475-D477 PolarHBondContact O-N 3.11Å; S475-D477 WeakPolarHBondContact OG-CB 3.33Å; S475-D477 PolarHBondContact OG-N 3.24Å
476	R	61.9	Low	63.8	Low	56 Å²	56	41.5 Å²	41.5	21%	0.211	22%	0.221	C	C	.	.			trans	48.3	28	-152.9	-63.5	-172.2	179	159.1	-5.2	111.6	I453 Q456 S460 Y462 V463 R474	I453-R476 WeakPolarHBondContact CG2-O 3.36Å; Q456-R476 VanDerWaalsContact OE1-NE 3.08Å; Q456-R476 VanDerWaalsContact OE1-NH2 3.12Å; S460-R476 PolarHBondContact O-NH2 3.45Å; Y462-R476 VanDerWaalsContact O-CZ 3.3Å; Y462-R476 PolarHBondContact O-NH1 2.97Å; Y462-R476 PolarHBondContact O-NH2 2.8Å; V463-R476 VanDerWaalsContact CA-NH1 3.3Å; R474-R476 PolarHBondContact O-N 2.86Å
477	D	75.6	Confident	66.7	Low	2 Å²	2	37 Å²	37	1%	0.011	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.9	143.6	172	-166.3	11.9	0	0	0	108.1	C272 S273 P297 R424 I453 C454 S475 V479	C272-D477 PolarHBondContact N-OD2 2.87Å; S273-D477 WeakPolarHBondContact CB-OD2 3.42Å; S273-D477 PolarHBondContact N-OD2 3.03Å; S273-D477 WeakPolarHBondContact OG-CB 3.45Å; S273-D477 PolarHBondContact OG-OD2 3.34Å; P297-D477 HydrophobicContact CG-CB 4.18Å; R424-D477 IonicContact NH2-OD1 2.98Å; R424-D477 PolarHBondContact NH2-OD1 3.27Å; R424-D477 IonicContact NH2-OD2 2.85Å; I453-D477 WeakPolarHBondContact CA-O 3.49Å; C454-D477 PolarHBondContact N-O 2.69Å; C454-D477 PolarHBondContact SG-O 2.91Å; S475-D477 PolarHBondContact O-N 3.11Å; S475-D477 WeakPolarHBondContact OG-CB 3.33Å; S475-D477 PolarHBondContact OG-N 3.24Å; D477-V479 PolarHBondContact O-N 2.81Å
478	V	87.7	Confident	69.5	Low	12 Å²	12	32.4 Å²	32.4	7%	0.073	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-68.7	119.8	174	177.4	0	0	0	0	106.7	V296 F305 R424 F425 V451 I453 E480	V296-V478 HydrophobicContact CG2-CG2 4.16Å; F305-V478 HydrophobicContact CE1-CG1 4.37Å; F305-V478 HydrophobicContact CE1-CG2 4.31Å; F305-V478 HydrophobicContact CE2-CG2 4.31Å; F305-V478 HydrophobicContact CZ-CG1 4.5Å; F305-V478 HydrophobicContact CZ-CG2 3.74Å; R424-V478 PolarHBondContact NH1-O 3.09Å; R424-V478 VanDerWaalsContact NH1-O 3.16Å; R424-V478 PolarHBondContact NH2-O 2.63Å; F425-V478 HydrophobicContact CZ-CB 4.11Å; F425-V478 HydrophobicContact CZ-CG1 4.38Å; F425-V478 HydrophobicContact CZ-CG2 4.47Å; V451-V478 HydrophobicContact CG1-CB 4.5Å; V451-V478 HydrophobicContact CG1-CG1 3.87Å; V451-V478 HydrophobicContact CG1-CG2 3.95Å; I453-V478 HydrophobicContact CG2-CG2 4.33Å; V478-E480 PolarHBondContact O-N 2.86Å
479	V	89	Confident	72.4	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.018	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-61.6	132.6	-178.7	171.5	0	0	0	0	108.8	N269 V283 P452 D477	N269-V479 HydrophobicContact CB-CG1 3.43Å; N269-V479 VanDerWaalsContact CB-CG1 3.43Å; V283-V479 HydrophobicContact CG1-CG2 4.04Å; V283-V479 HydrophobicContact CG2-CG1 4.5Å; V283-V479 HydrophobicContact CG2-CG2 3.98Å; P452-V479 HydrophobicContact CB-CB 4.07Å; P452-V479 HydrophobicContact CG-CB 4.25Å; P452-V479 PolarHBondContact O-N 3.38Å; D477-V479 PolarHBondContact O-N 2.81Å
480	E	91.6	Very high	75.2	Confident	2 Å²	2	29 Å²	29	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.1	175.7	-170.3	54.3	-131.7	0	0	109.2	W270 R328 H387 F406 R424 V478 L482	W270-E480 WeakPolarHBondContact CA-O 3.34Å; W270-E480 HydrophobicContact CB-CB 4.48Å; W270-E480 WeakPolarHBondContact CB-O 3.49Å; W270-E480 PolarHBondContact N-O 3.14Å; W270-E480 PolarHBondContact O-N 3.29Å; R328-E480 IonicContact CZ-OE1 3.95Å; R328-E480 IonicContact NH1-OE1 3.58Å; R328-E480 IonicContact NH2-OE1 3.68Å; R328-E480 PolarHBondContact NH2-OE1 3.48Å; R328-E480 IonicContact NH2-OE2 2.74Å; R328-E480 PolarHBondContact NH2-OE2 3.46Å; H387-E480 IonicContact ND1-OE1 3.72Å; H387-E480 PolarHBondContact ND1-OE1 2.99Å; H387-E480 VanDerWaalsContact ND1-OE1 3.15Å; F406-E480 VanDerWaalsContact CD2-CD 3.46Å; F406-E480 HydrophobicContact CD2-CG 3.91Å; F406-E480 WeakPolarHBondContact CD2-OE1 3.26Å; F406-E480 HydrophobicContact CE2-CG 4.47Å; F406-E480 VanDerWaalsContact CE2-OE1 3.24Å; F406-E480 WeakPolarHBondContact CE2-OE1 3.48Å; R424-E480 IonicContact CZ-OE2 3.66Å; R424-E480 IonicContact NH1-OE2 3.41Å; R424-E480 PolarHBondContact NH1-OE2 2.91Å; V478-E480 PolarHBondContact O-N 2.86Å; E480-L482 HydrophobicContact CB-CG 4.31Å; E480-L482 HydrophobicContact CG-CD1 4.33Å; E480-L482 HydrophobicContact CG-CD2 3.66Å; E480-L482 HydrophobicContact CG-CG 3.71Å; E480-L482 PolarHBondContact O-N 3.15Å
481	P	91.9	Very high	77.8	Confident	22 Å²	22	22.5 Å²	22.5	14%	0.143	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	116.3	166.5	-17	32	0	0	0	108.7	L267 V268 H387	L267-P481 VanDerWaalsContact CD2-C 3.48Å; L267-P481 HydrophobicContact CD2-CB 3.45Å; L267-P481 VanDerWaalsContact CD2-CB 3.45Å; V268-P481 WeakPolarHBondContact O-CA 3.3Å; H387-P481 PolarHBondContact ND1-O 3.11Å; H387-P481 WeakPolarHBondContact O-CB 3.36Å; H387-P481 WeakPolarHBondContact O-CG 3.34Å
482	L	90.7	Very high	80.3	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.8	175.8	-68	-177.2	0	0	0	111.3	L267 V268 W270 H387 T404 F406 E480 K484	L267-L482 WeakPolarHBondContact CA-O 3.33Å; V268-L482 WeakPolarHBondContact CG2-O 3.31Å; V268-L482 PolarHBondContact N-O 2.72Å; V268-L482 PolarHBondContact O-N 3.41Å; W270-L482 HydrophobicContact CB-CB 4.14Å; W270-L482 HydrophobicContact CB-CD1 3.91Å; W270-L482 HydrophobicContact CB-CG 4.02Å; W270-L482 VanDerWaalsContact CD1-CD1 3.47Å; W270-L482 HydrophobicContact CD2-CD1 4.23Å; W270-L482 HydrophobicContact CG-CD1 3.62Å; W270-L482 HydrophobicContact CG-CG 4.28Å; H387-L482 VanDerWaalsContact CE1-CD2 3.42Å; H387-L482 WeakPolarHBondContact CE1-CD2 3.11Å; T404-L482 HydrophobicContact CG2-CD2 4.32Å; F406-L482 HydrophobicContact CB-CD2 4.18Å; F406-L482 HydrophobicContact CD2-CD2 4.35Å; E480-L482 HydrophobicContact CB-CG 4.31Å; E480-L482 HydrophobicContact CG-CD1 4.33Å; E480-L482 HydrophobicContact CG-CD2 3.66Å; E480-L482 HydrophobicContact CG-CG 3.71Å; E480-L482 PolarHBondContact O-N 3.15Å; L482-K484 HydrophobicContact CB-CG 4.37Å; L482-K484 PolarHBondContact O-N 3.5Å
483	L	89.2	Confident	83.2	Confident	24 Å²	24	25.4 Å²	25.4	13%	0.126	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	115.4	168.4	-70.2	171.6	0	0	0	109.8	V265 R266 L267 A386 Y392 L402	V265-L483 HydrophobicContact CG1-CB 4.08Å; V265-L483 HydrophobicContact CG1-CD2 4.21Å; R266-L483 WeakPolarHBondContact O-CA 3.25Å; L267-L483 HydrophobicContact CG-CD2 4.07Å; A386-L483 HydrophobicContact CB-CD1 3.61Å; A386-L483 HydrophobicContact CB-CG 4.18Å; Y392-L483 HydrophobicContact CD2-CD2 4.19Å; Y392-L483 HydrophobicContact CE2-CD2 3.76Å; L402-L483 HydrophobicContact CB-CD1 3.67Å; L402-L483 HydrophobicContact CD1-CD1 3.91Å; L402-L483 HydrophobicContact CD2-CD1 4.49Å; L402-L483 HydrophobicContact CG-CD1 4.23Å
484	K	87.9	Confident	86	Confident	40 Å²	40	24.3 Å²	24.3	17%	0.174	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.3	176.3	-67.2	-69.4	176.8	178.2	0	110	V265 R266 V268 W270 D408 L482 Q486	V265-K484 WeakPolarHBondContact CA-O 3.42Å; R266-K484 PolarHBondContact N-O 2.8Å; R266-K484 PolarHBondContact O-N 3.11Å; R266-K484 VanDerWaalsContact O-N 3.12Å; V268-K484 HydrophobicContact CG2-CB 3.78Å; V268-K484 HydrophobicContact CG2-CG 3.82Å; W270-K484 HydrophobicContact CE3-CG 4.05Å; W270-K484 HydrophobicContact CZ3-CD 4.26Å; W270-K484 HydrophobicContact CZ3-CG 4.14Å; D408-K484 IonicContact OD1-NZ 2.65Å; D408-K484 PolarHBondContact OD1-NZ 3.43Å; D408-K484 IonicContact OD2-NZ 3.11Å; D408-K484 PolarHBondContact OD2-NZ 2.99Å; L482-K484 HydrophobicContact CB-CG 4.37Å; L482-K484 PolarHBondContact O-N 3.5Å; K484-Q486 HydrophobicContact CB-CG 4.06Å; K484-Q486 PolarHBondContact O-N 3.49Å
485	A	89.7	Confident	88.2	Confident	19 Å²	19	23.6 Å²	23.6	16%	0.157	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.6	163.7	0	0	0	0	0	108	V265 V556	V265-A485 HydrophobicContact CG2-CB 4.07Å; A485-V556 HydrophobicContact CB-CB 4.24Å; A485-V556 HydrophobicContact CB-CG1 4.04Å
486	Q	91.5	Very high	90.2	Very high	7 Å²	7	30 Å²	30	3%	0.033	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	164.1	-179.8	-67.1	-63.2	-62.9	0	0	109.8	R263 S264 V268 K484 Y488 S531	R263-Q486 WeakPolarHBondContact CA-O 3.45Å; S264-Q486 PolarHBondContact N-O 3.17Å; S264-Q486 PolarHBondContact O-N 3.49Å; V268-Q486 HydrophobicContact CG1-CG 4.01Å; K484-Q486 HydrophobicContact CB-CG 4.06Å; K484-Q486 PolarHBondContact O-N 3.49Å; Q486-Y488 HydrophobicContact CB-CD2 4.49Å; Q486-Y488 HydrophobicContact CB-CE2 3.69Å; Q486-Y488 WeakPolarHBondContact O-CD2 3.37Å; Q486-Y488 WeakPolarHBondContact O-CE2 3.11Å; Q486-S531 WeakPolarHBondContact CA-OG 3.27Å; Q486-S531 VanDerWaalsContact CB-OG 3.3Å; Q486-S531 WeakPolarHBondContact CB-OG 3.41Å; Q486-S531 VanDerWaalsContact CD-OG 3.27Å; Q486-S531 PolarHBondContact OE1-O 3.49Å; Q486-S531 PolarHBondContact OE1-OG 3.03Å
487	W	93.9	Very high	91.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.2	173.1	-68.3	96.6	0	0	0	110.5	F252 H256 I261 R263 C529 I530 S531 I540 A542 W561 D590	F252-W487 HydrophobicContact CE2-CD2 4.48Å; F252-W487 AromaticContact CZ-CD2 3.94Å; F252-W487 HydrophobicContact CZ-CD2 3.94Å; F252-W487 AromaticContact CZ-CE3 3.91Å; F252-W487 HydrophobicContact CZ-CE3 3.91Å; F252-W487 HydrophobicContact CZ-CH2 4.46Å; F252-W487 HydrophobicContact CZ-CZ2 4.49Å; F252-W487 HydrophobicContact CZ-CZ3 4.18Å; H256-W487 AromaticContact CD2-CZ3 3.67Å; H256-W487 AromaticContact NE2-CH2 3.87Å; H256-W487 AromaticContact NE2-CZ3 3.7Å; I261-W487 HydrophobicContact CG2-CE3 3.63Å; I261-W487 HydrophobicContact CG2-CZ3 4.13Å; R263-W487 HydrophobicContact CB-CD2 4.35Å; R263-W487 HydrophobicContact CB-CE3 4.07Å; R263-W487 HydrophobicContact CB-CH2 4.21Å; R263-W487 HydrophobicContact CB-CZ2 4.48Å; R263-W487 HydrophobicContact CB-CZ3 4Å; W487-C529 WeakPolarHBondContact O-CA 3.5Å; W487-I530 HydrophobicContact CB-CD1 4.13Å; W487-I530 HydrophobicContact CB-CG1 3.71Å; W487-I530 WeakPolarHBondContact O-CG1 3.35Å; W487-I530 PolarHBondContact O-N 2.97Å; W487-S531 PolarHBondContact N-OG 3.46Å; W487-I540 HydrophobicContact CG-CD1 4.11Å; W487-A542 HydrophobicContact CH2-CB 3.92Å; W487-A542 HydrophobicContact CZ2-CB 3.44Å; W487-A542 VanDerWaalsContact CZ2-CB 3.44Å; W487-W561 HydrophobicContact CH2-CB 3.8Å; W487-W561 HydrophobicContact CH2-CG 4.22Å; W487-W561 HydrophobicContact CZ2-CB 4.09Å; W487-W561 HydrophobicContact CZ2-CD2 4.07Å; W487-W561 HydrophobicContact CZ2-CE3 4.1Å; W487-W561 HydrophobicContact CZ2-CG 4.09Å; W487-D590 PolarHBondContact NE1-OD2 3.5Å
488	Y	93.7	Very high	92.8	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.035	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.8	-179.2	-65.2	-91.1	0	0	0	111.4	I261 Y262 S264 R266 V268 Q486 D527 W528 C529	I261-Y488 VanDerWaalsContact CA-O 3.27Å; I261-Y488 WeakPolarHBondContact CA-O 3.33Å; Y262-Y488 PolarHBondContact N-O 3.2Å; Y262-Y488 PolarHBondContact O-N 2.97Å; S264-Y488 WeakPolarHBondContact O-CE2 3.2Å; R266-Y488 HydrophobicContact CG-CE2 4.33Å; V268-Y488 WeakPolarHBondContact CG1-OH 3.43Å; Q486-Y488 HydrophobicContact CB-CD2 4.49Å; Q486-Y488 HydrophobicContact CB-CE2 3.69Å; Q486-Y488 WeakPolarHBondContact O-CD2 3.37Å; Q486-Y488 WeakPolarHBondContact O-CE2 3.11Å; Y488-D527 HydrophobicContact CD1-CB 4.33Å; Y488-W528 CarbonylContact C-O 3.19Å; Y488-W528 VanDerWaalsContact CA-O 3.27Å; Y488-W528 WeakPolarHBondContact CA-O 3.27Å; Y488-C529 HydrophobicContact CD1-CB 4.03Å; Y488-C529 HydrophobicContact CE1-CB 3.68Å
489	V	95.1	Very high	93.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.5	167.7	173.8	0	0	0	0	108.5	M255 T260 I261 C491 M494 D527 W528 I530 F598	M255-V489 HydrophobicContact CE-CG1 3.91Å; M255-V489 HydrophobicContact CE-CG2 4.36Å; T260-V489 HydrophobicContact CG2-CG1 4.18Å; T260-V489 WeakPolarHBondContact O-CA 3.41Å; I261-V489 HydrophobicContact CD1-CG2 4.37Å; I261-V489 HydrophobicContact CG1-CG2 3.76Å; V489-C491 PolarHBondContact O-N 3.07Å; V489-C491 PolarHBondContact O-SG 3.38Å; V489-M494 HydrophobicContact CG1-CE 3.42Å; V489-M494 VanDerWaalsContact CG1-CE 3.42Å; V489-D527 CarbonylContact O-C 3.59Å; V489-D527 VanDerWaalsContact O-CA 3.3Å; V489-D527 WeakPolarHBondContact O-CA 3.47Å; V489-D527 WeakPolarHBondContact O-CB 3.4Å; V489-W528 HydrophobicContact CB-CB 4.35Å; V489-W528 HydrophobicContact CB-CE3 4.09Å; V489-W528 HydrophobicContact CG1-CE3 4.36Å; V489-W528 HydrophobicContact CG2-CE3 4.05Å; V489-W528 PolarHBondContact N-O 2.99Å; V489-W528 PolarHBondContact O-N 3.34Å; V489-I530 HydrophobicContact CB-CG2 4.42Å; V489-I530 HydrophobicContact CG2-CD1 3.89Å; V489-I530 HydrophobicContact CG2-CG1 4.29Å; V489-I530 HydrophobicContact CG2-CG2 3.52Å; V489-F598 HydrophobicContact CG2-CE2 4.43Å
490	K	95	Very high	93.6	Very high	89 Å²	89	35 Å²	35	39%	0.387	17%	0.166	S	C	.	.			trans	-66.9	117.8	170.3	-65.7	-178.4	-177.5	149.3	0	109.8	G259 T260 Y262 M494 D527	G259-K490 WeakPolarHBondContact O-CE 3.46Å; G259-K490 PolarHBondContact O-NZ 3.47Å; T260-K490 PolarHBondContact O-N 2.86Å; Y262-K490 HydrophobicContact CD1-CD 4.35Å; Y262-K490 HydrophobicContact CD1-CG 3.81Å; Y262-K490 HydrophobicContact CE1-CD 4.21Å; Y262-K490 HydrophobicContact CE1-CG 3.36Å; K490-M494 WeakPolarHBondContact O-CE 3.35Å; K490-D527 WeakPolarHBondContact CA-OD1 3.45Å
491	C	94.8	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.			trans	-100.8	-15.6	-171.7	-71.4	0	0	0	0	114.2	V489 M494 A495 I525 R526 F642	V489-C491 PolarHBondContact O-N 3.07Å; V489-C491 PolarHBondContact O-SG 3.38Å; C491-M494 PolarHBondContact O-N 3.43Å; C491-A495 WeakPolarHBondContact O-CB 3.45Å; C491-A495 PolarHBondContact O-N 2.93Å; C491-I525 HydrophobicContact CB-CD1 3.85Å; C491-I525 HydrophobicContact CB-CG1 3.94Å; C491-I525 HydrophobicContact CB-CG2 4Å; C491-R526 PolarHBondContact SG-O 2.97Å; C491-F642 HydrophobicContact CB-CE2 4.27Å
492	D	92.7	Very high	94	Very high	91 Å²	91	34.7 Å²	34.7	49%	0.487	16%	0.164	S	C	.	.	H	α-helix	trans	-58.5	-52.5	-169.1	61.9	-33.7	0	0	0	113.9	R496	D492-R496 PolarHBondContact O-N 3Å; D492-R496 VanDerWaalsContact O-N 3.16Å
493	E	94.9	Very high	94.3	Very high	87 Å²	87	38.1 Å²	38.1	41%	0.407	18%	0.183	S	C	.	.	H	α-helix	trans	-68.1	-41.6	-179.9	-165.9	-163.6	143.9	0	0	111.5	R496 K497	E493-R496 PolarHBondContact O-N 3.45Å; E493-K497 PolarHBondContact O-N 2.75Å; E493-K497 VanDerWaalsContact OE1-CE 3.29Å; E493-K497 WeakPolarHBondContact OE1-CE 3.34Å; E493-K497 IonicContact OE1-NZ 3.22Å; E493-K497 PolarHBondContact OE1-NZ 2.89Å
494	M	96.1	Very high	94.5	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-39.8	179	-68.7	-171.2	-78.3	0	0	111.7	M255 T260 V489 K490 C491 K497 A498 F642 K646	M255-M494 HydrophobicContact CE-CE 4.41Å; T260-M494 HydrophobicContact CG2-CE 3.95Å; V489-M494 HydrophobicContact CG1-CE 3.42Å; V489-M494 VanDerWaalsContact CG1-CE 3.42Å; K490-M494 WeakPolarHBondContact O-CE 3.35Å; C491-M494 PolarHBondContact O-N 3.43Å; M494-K497 PolarHBondContact O-N 2.77Å; M494-A498 VanDerWaalsContact O-CB 3.31Å; M494-A498 WeakPolarHBondContact O-CB 3.03Å; M494-A498 PolarHBondContact O-N 2.9Å; M494-F642 HydrophobicContact CB-CB 4.09Å; M494-F642 HydrophobicContact CB-CD1 3.89Å; M494-F642 HydrophobicContact CB-CD2 4.14Å; M494-F642 HydrophobicContact CB-CE1 4.35Å; M494-F642 HydrophobicContact CB-CG 3.79Å; M494-F642 HydrophobicContact CG-CB 4.49Å; M494-F642 HydrophobicContact SD-CB 3.75Å; M494-F642 HydrophobicContact SD-CG 4.37Å; M494-K646 HydrophobicContact CG-CB 4.47Å; M494-K646 HydrophobicContact SD-CB 3.73Å; M494-K646 HydrophobicContact SD-CD 4.47Å; M494-K646 HydrophobicContact SD-CG 4.07Å
495	A	95.7	Very high	94.8	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-41.8	175.8	0	0	0	0	0	112	C491 A498 V499 M522 I525 F642	C491-A495 WeakPolarHBondContact O-CB 3.45Å; C491-A495 PolarHBondContact O-N 2.93Å; A495-A498 PolarHBondContact O-N 3.38Å; A495-V499 WeakPolarHBondContact O-CG2 3.49Å; A495-V499 PolarHBondContact O-N 3.27Å; A495-M522 HydrophobicContact CB-CB 4.24Å; A495-M522 HydrophobicContact CB-SD 3.99Å; A495-I525 HydrophobicContact CB-CB 4.48Å; A495-I525 HydrophobicContact CB-CD1 4.24Å; A495-I525 HydrophobicContact CB-CG2 3.7Å; A495-F642 HydrophobicContact CB-CE1 4.27Å; A495-F642 HydrophobicContact CB-CZ 3.82Å
496	R	95.9	Very high	95.1	Very high	151 Å²	151	46.7 Å²	46.7	57%	0.57	23%	0.229	S	C	*	.	H	α-helix	trans	-60.3	-50.4	174.7	-165.4	-175.2	-54.6	126.3	7.6	111.5	D492 E493 A498 V499 D500	D492-R496 PolarHBondContact O-N 3Å; D492-R496 VanDerWaalsContact O-N 3.16Å; E493-R496 PolarHBondContact O-N 3.45Å; R496-A498 VanDerWaalsContact C-N 3.26Å; R496-A498 PolarHBondContact O-N 3.02Å; R496-V499 PolarHBondContact O-N 3.39Å; R496-V499 VanDerWaalsContact O-N 3.11Å; R496-D500 VanDerWaalsContact O-CG 3.28Å; R496-D500 PolarHBondContact O-N 3.16Å
497	K	96.2	Very high	95.4	Very high	86 Å²	86	46.4 Å²	46.4	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-59.1	-35.3	176.8	-76.5	174.9	168.4	168.6	0	113	E493 M494 A501	E493-K497 PolarHBondContact O-N 2.75Å; E493-K497 VanDerWaalsContact OE1-CE 3.29Å; E493-K497 WeakPolarHBondContact OE1-CE 3.34Å; E493-K497 IonicContact OE1-NZ 3.22Å; E493-K497 PolarHBondContact OE1-NZ 2.89Å; M494-K497 PolarHBondContact O-N 2.77Å; K497-A501 WeakPolarHBondContact O-CB 3.26Å; K497-A501 PolarHBondContact O-N 3.03Å
498	A	96.2	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-72.8	-34.4	177.2	0	0	0	0	0	112.7	M494 A495 R496 V502 W518 M522 V641 F642	M494-A498 VanDerWaalsContact O-CB 3.31Å; M494-A498 WeakPolarHBondContact O-CB 3.03Å; M494-A498 PolarHBondContact O-N 2.9Å; A495-A498 PolarHBondContact O-N 3.38Å; R496-A498 VanDerWaalsContact C-N 3.26Å; R496-A498 PolarHBondContact O-N 3.02Å; A498-V502 PolarHBondContact O-N 3.27Å; A498-W518 HydrophobicContact CB-CZ2 3.98Å; A498-W518 PolarHBondContact O-NE1 3.09Å; A498-M522 HydrophobicContact CB-CE 4.28Å; A498-V641 HydrophobicContact CB-CG1 3.75Å; A498-F642 HydrophobicContact CB-CD1 4.05Å; A498-F642 HydrophobicContact CB-CE1 3.68Å
499	V	96.4	Very high	95.6	Very high	18 Å²	18	52.8 Å²	52.8	11%	0.109	25%	0.252	C	S	.	.	H	α-helix	trans	-68.2	-45.6	171.6	168.9	0	0	0	0	110.5	A495 R496 A501 V502 N503 R519 M522	A495-V499 WeakPolarHBondContact O-CG2 3.49Å; A495-V499 PolarHBondContact O-N 3.27Å; R496-V499 PolarHBondContact O-N 3.39Å; R496-V499 VanDerWaalsContact O-N 3.11Å; V499-A501 VanDerWaalsContact C-N 3.32Å; V499-A501 PolarHBondContact O-N 3.3Å; V499-V502 PolarHBondContact O-N 3.49Å; V499-V502 VanDerWaalsContact O-N 3.11Å; V499-N503 VanDerWaalsContact CG1-ND2 3.35Å; V499-N503 WeakPolarHBondContact CG1-ND2 3.42Å; V499-N503 PolarHBondContact O-N 3.17Å; V499-N503 PolarHBondContact O-ND2 3.06Å; V499-N503 PolarHBondContact O-OD1 3.05Å; V499-R519 HydrophobicContact CG1-CG 4.43Å; V499-M522 HydrophobicContact CG2-CB 3.39Å; V499-M522 HydrophobicContact CG2-CG 3.82Å
500	D	96.4	Very high	95.6	Very high	74 Å²	74	54.7 Å²	54.7	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-43.9	179	-66.7	-23.2	0	0	0	111.3	R496 V502 N503 D504	R496-D500 VanDerWaalsContact O-CG 3.28Å; R496-D500 PolarHBondContact O-N 3.16Å; D500-V502 PolarHBondContact O-N 3.43Å; D500-N503 PolarHBondContact O-N 3.28Å; D500-D504 PolarHBondContact O-N 3.17Å
501	A	96.7	Very high	95.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-29.5	177	0	0	0	0	0	114	K497 V499 D504 R506 L507 L651	K497-A501 WeakPolarHBondContact O-CB 3.26Å; K497-A501 PolarHBondContact O-N 3.03Å; V499-A501 VanDerWaalsContact C-N 3.32Å; V499-A501 PolarHBondContact O-N 3.3Å; A501-D504 WeakPolarHBondContact CA-OD1 3.43Å; A501-R506 PolarHBondContact O-N 3.11Å; A501-R506 VanDerWaalsContact O-N 3.14Å; A501-L507 HydrophobicContact CB-CB 4.18Å; A501-L507 PolarHBondContact O-N 3.07Å; A501-L651 HydrophobicContact CB-CD1 4.3Å; A501-L651 HydrophobicContact CB-CD2 3.96Å
502	V	96.6	Very high	95.3	Very high	17 Å²	17	60.1 Å²	60.1	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-81.6	-38.5	174	176.4	0	0	0	0	110.8	A498 V499 D500 G505 L507 I509 V515	A498-V502 PolarHBondContact O-N 3.27Å; V499-V502 PolarHBondContact O-N 3.49Å; V499-V502 VanDerWaalsContact O-N 3.11Å; D500-V502 PolarHBondContact O-N 3.43Å; V502-G505 PolarHBondContact O-N 3.27Å; V502-L507 WeakPolarHBondContact CA-O 3.46Å; V502-L507 HydrophobicContact CG2-CB 4.18Å; V502-L507 HydrophobicContact CG2-CD2 3.91Å; V502-L507 HydrophobicContact CG2-CG 4.14Å; V502-I509 HydrophobicContact CG1-CD1 4.46Å; V502-I509 HydrophobicContact CG2-CD1 3.84Å; V502-I509 HydrophobicContact CG2-CG1 4.26Å; V502-V515 HydrophobicContact CG1-CG1 3.87Å; V502-V515 HydrophobicContact CG1-CG2 4.1Å
503	N	95	Very high	95.2	Very high	75 Å²	75	60.8 Å²	60.8	40%	0.401	29%	0.291	S	S	.	.	H	α-helix	trans	-68.4	-35.8	-178.3	-67.1	-14.8	0	0	0	113.1	V499 D500 G505 R519	V499-N503 VanDerWaalsContact CG1-ND2 3.35Å; V499-N503 WeakPolarHBondContact CG1-ND2 3.42Å; V499-N503 PolarHBondContact O-N 3.17Å; V499-N503 PolarHBondContact O-ND2 3.06Å; V499-N503 PolarHBondContact O-OD1 3.05Å; D500-N503 PolarHBondContact O-N 3.28Å; N503-G505 VanDerWaalsContact C-N 3.33Å; N503-R519 PolarHBondContact OD1-NE 2.87Å; N503-R519 PolarHBondContact OD1-NH2 3Å
504	D	95	Very high	95.1	Very high	86 Å²	86	57.1 Å²	57.1	46%	0.46	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.4	177.8	64.9	25.8	0	0	0	113.7	D500 A501 R506	D500-D504 PolarHBondContact O-N 3.17Å; A501-D504 WeakPolarHBondContact CA-OD1 3.43Å; D504-R506 VanDerWaalsContact C-N 3.34Å; D504-R506 VanDerWaalsContact CG-NE 3.25Å; D504-R506 PolarHBondContact O-N 3.34Å; D504-R506 VanDerWaalsContact OD1-CB 3.29Å; D504-R506 WeakPolarHBondContact OD1-CB 3.24Å; D504-R506 VanDerWaalsContact OD1-CG 3.27Å; D504-R506 WeakPolarHBondContact OD1-CG 3.43Å; D504-R506 IonicContact OD1-CZ 2.87Å; D504-R506 PolarHBondContact OD1-N 3.45Å; D504-R506 IonicContact OD1-NE 2.85Å; D504-R506 PolarHBondContact OD1-NE 2.79Å; D504-R506 VanDerWaalsContact OD1-NE 3.11Å; D504-R506 IonicContact OD1-NH2 3.31Å; D504-R506 IonicContact OD2-CZ 2.82Å; D504-R506 IonicContact OD2-NE 3.66Å; D504-R506 PolarHBondContact OD2-NE 2.96Å; D504-R506 IonicContact OD2-NH2 3.03Å; D504-R506 PolarHBondContact OD2-NH2 3.44Å
505	G	94.5	Very high	95.1	Very high	45 Å²	45	58 Å²	58	46%	0.464	28%	0.28	S	S	.	.	S	Bend	trans	81	3.2	176.2	0	0	0	0	0	115.5	V502 N503 L507	V502-G505 PolarHBondContact O-N 3.27Å; N503-G505 VanDerWaalsContact C-N 3.33Å; G505-L507 PolarHBondContact O-N 3.04Å
506	R	95.3	Very high	95	Very high	131 Å²	131	66.2 Å²	66.2	49%	0.494	32%	0.315	S	S	.	.	S	Bend	trans	-63.9	-30.1	174	-70.7	-178.5	-68.3	152.8	-4.4	112.6	A501 D504 L651	A501-R506 PolarHBondContact O-N 3.11Å; A501-R506 VanDerWaalsContact O-N 3.14Å; D504-R506 VanDerWaalsContact C-N 3.34Å; D504-R506 VanDerWaalsContact CG-NE 3.25Å; D504-R506 PolarHBondContact O-N 3.34Å; D504-R506 VanDerWaalsContact OD1-CB 3.29Å; D504-R506 WeakPolarHBondContact OD1-CB 3.24Å; D504-R506 VanDerWaalsContact OD1-CG 3.27Å; D504-R506 WeakPolarHBondContact OD1-CG 3.43Å; D504-R506 IonicContact OD1-CZ 2.87Å; D504-R506 PolarHBondContact OD1-N 3.45Å; D504-R506 IonicContact OD1-NE 2.85Å; D504-R506 PolarHBondContact OD1-NE 2.79Å; D504-R506 VanDerWaalsContact OD1-NE 3.11Å; D504-R506 IonicContact OD1-NH2 3.31Å; D504-R506 IonicContact OD2-CZ 2.82Å; D504-R506 IonicContact OD2-NE 3.66Å; D504-R506 PolarHBondContact OD2-NE 2.96Å; D504-R506 IonicContact OD2-NH2 3.03Å; D504-R506 PolarHBondContact OD2-NH2 3.44Å; R506-L651 HydrophobicContact CB-CD1 3.71Å
507	L	97	Very high	94.8	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.305	C	S	.	.	S	Bend	trans	-120.2	114.4	173.6	-178.8	63.2	0	0	0	109.8	A501 V502 G505 W518 V641 L651 F653 T654 V656	A501-L507 HydrophobicContact CB-CB 4.18Å; A501-L507 PolarHBondContact O-N 3.07Å; V502-L507 WeakPolarHBondContact CA-O 3.46Å; V502-L507 HydrophobicContact CG2-CB 4.18Å; V502-L507 HydrophobicContact CG2-CD2 3.91Å; V502-L507 HydrophobicContact CG2-CG 4.14Å; G505-L507 PolarHBondContact O-N 3.04Å; L507-W518 HydrophobicContact CD2-CZ2 4.36Å; L507-V641 HydrophobicContact CD2-CG1 4.49Å; L507-V641 HydrophobicContact CD2-CG2 3.85Å; L507-L651 HydrophobicContact CB-CD1 4.11Å; L507-F653 HydrophobicContact CD1-CD2 3.78Å; L507-F653 HydrophobicContact CD1-CE2 3.95Å; L507-F653 WeakPolarHBondContact CD1-O 3.47Å; L507-T654 WeakPolarHBondContact CA-O 3.2Å; L507-V656 HydrophobicContact CD1-CG2 4.01Å
508	R	96.9	Very high	94.7	Very high	138 Å²	138	57.7 Å²	57.7	52%	0.521	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.2	176	-62.1	-178	-58.7	177.8	3.4	110.5	T654 T655 V656	R508-T654 PolarHBondContact N-O 3.36Å; R508-T655 HydrophobicContact CB-CG2 4.38Å; R508-T655 PolarHBondContact NE-OG1 2.89Å; R508-T655 PolarHBondContact NH2-OG1 3.02Å; R508-T655 CarbonylContact O-C 3.57Å; R508-T655 WeakPolarHBondContact O-CA 3.36Å; R508-V656 PolarHBondContact O-N 2.82Å
509	I	96.2	Very high	94.6	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119	173.7	-58.1	176.7	0	0	0	108.5	V502 P511 H514 V515 W518 V656 L658	V502-I509 HydrophobicContact CG1-CD1 4.46Å; V502-I509 HydrophobicContact CG2-CD1 3.84Å; V502-I509 HydrophobicContact CG2-CG1 4.26Å; I509-P511 CarbonylContact O-C 3.59Å; I509-H514 HydrophobicContact CG2-CB 3.88Å; I509-V515 HydrophobicContact CB-CG2 4.17Å; I509-W518 HydrophobicContact CD1-CB 4.03Å; I509-W518 HydrophobicContact CD1-CD2 3.71Å; I509-W518 HydrophobicContact CD1-CE3 4.02Å; I509-W518 HydrophobicContact CD1-CG 3.74Å; I509-V656 HydrophobicContact CG1-CB 4.5Å; I509-L658 HydrophobicContact CG2-CD1 3.94Å
510	L	94.1	Very high	94.4	Very high	41 Å²	41	64.9 Å²	64.9	22%	0.215	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.4	179	-60.4	177.7	0	0	0	109.7	T655 V656 Y657 L658 Y812	L510-T655 HydrophobicContact CD1-CG2 3.94Å; L510-T655 HydrophobicContact CG-CG2 4.39Å; L510-V656 PolarHBondContact N-O 3.39Å; L510-Y657 HydrophobicContact CB-CD2 4.01Å; L510-L658 PolarHBondContact O-N 3.41Å; L510-Y812 HydrophobicContact CD1-CD2 3.71Å; L510-Y812 HydrophobicContact CD1-CE2 3.67Å; L510-Y812 HydrophobicContact CD1-CG 4.4Å
511	P	91.2	Very high	94.1	Very high	47 Å²	47	64.4 Å²	64.4	31%	0.305	32%	0.315	S	S	.	.	S	Bend	cis	-67.8	153.7	-11.2	-21.9	33.4	0	0	0	114.1	I509 F513 H514 L658	I509-P511 CarbonylContact O-C 3.59Å; P511-F513 HydrophobicContact CB-CD1 3.64Å; P511-F513 HydrophobicContact CB-CE1 3.36Å; P511-F513 HydrophobicContact CB-CZ 4.13Å; P511-F513 HydrophobicContact CG-CE1 3.75Å; P511-F513 HydrophobicContact CG-CZ 4.19Å; P511-F513 PolarHBondContact O-N 2.73Å; P511-F513 VanDerWaalsContact O-N 3.08Å; P511-H514 PolarHBondContact O-N 3.15Å; P511-H514 VanDerWaalsContact O-N 3.14Å; P511-L658 WeakPolarHBondContact CD-O 3.38Å
512	E	92.3	Very high	94	Very high	157 Å²	157	64.7 Å²	64.7	73%	0.734	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.4	-171.6	-66.6	-174.5	169.9	0	0	114.9	H514 V515	E512-H514 PolarHBondContact O-N 3.01Å; E512-H514 VanDerWaalsContact O-N 3.09Å; E512-V515 VanDerWaalsContact O-CB 3.24Å; E512-V515 WeakPolarHBondContact O-CB 3.46Å; E512-V515 VanDerWaalsContact O-CG2 3.28Å; E512-V515 WeakPolarHBondContact O-CG2 3.16Å; E512-V515 PolarHBondContact O-N 3.15Å
513	F	90.9	Very high	93.7	Very high	105 Å²	105	70.5 Å²	70.5	46%	0.461	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.1	179.6	66.6	-103.6	0	0	0	113	P511 V515	P511-F513 HydrophobicContact CB-CD1 3.64Å; P511-F513 HydrophobicContact CB-CE1 3.36Å; P511-F513 HydrophobicContact CB-CZ 4.13Å; P511-F513 HydrophobicContact CG-CE1 3.75Å; P511-F513 HydrophobicContact CG-CZ 4.19Å; P511-F513 PolarHBondContact O-N 2.73Å; P511-F513 VanDerWaalsContact O-N 3.08Å; F513-V515 VanDerWaalsContact C-N 3.26Å; F513-V515 PolarHBondContact O-N 2.94Å
514	H	92.9	Very high	93.3	Very high	9 Å²	9	72.7 Å²	72.7	4%	0.042	35%	0.354	C	S	.	.	H	α-helix	trans	-70.6	-19	173.9	-74.6	-73.7	0	0	0	113.3	I509 P511 E512 K516 T517 W518 L633 L658	I509-H514 HydrophobicContact CG2-CB 3.88Å; P511-H514 PolarHBondContact O-N 3.15Å; P511-H514 VanDerWaalsContact O-N 3.14Å; E512-H514 PolarHBondContact O-N 3.01Å; E512-H514 VanDerWaalsContact O-N 3.09Å; H514-K516 PolarHBondContact O-N 3.42Å; H514-T517 PolarHBondContact O-N 3.46Å; H514-T517 VanDerWaalsContact O-N 3.09Å; H514-W518 PolarHBondContact O-N 3.44Å; H514-L633 HydrophobicContact CB-CD2 4.49Å; H514-L658 HydrophobicContact CB-CD1 3.84Å
515	V	94.9	Very high	93	Very high	30 Å²	30	70.2 Å²	70.2	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-37.7	177.3	175	0	0	0	0	111.2	V502 I509 E512 F513 W518 R519	V502-V515 HydrophobicContact CG1-CG1 3.87Å; V502-V515 HydrophobicContact CG1-CG2 4.1Å; I509-V515 HydrophobicContact CB-CG2 4.17Å; E512-V515 VanDerWaalsContact O-CB 3.24Å; E512-V515 WeakPolarHBondContact O-CB 3.46Å; E512-V515 VanDerWaalsContact O-CG2 3.28Å; E512-V515 WeakPolarHBondContact O-CG2 3.16Å; E512-V515 PolarHBondContact O-N 3.15Å; F513-V515 VanDerWaalsContact C-N 3.26Å; F513-V515 PolarHBondContact O-N 2.94Å; V515-W518 WeakPolarHBondContact O-CB 3.37Å; V515-W518 PolarHBondContact O-N 2.82Å; V515-R519 PolarHBondContact O-N 2.9Å
516	K	93.8	Very high	92.7	Very high	175 Å²	175	75.8 Å²	75.8	76%	0.761	35%	0.348	S	S	*	.	H	α-helix	trans	-64.1	-43.4	175.9	-174	177.6	-179.7	179.1	0	111.6	H514 W518 S520	H514-K516 PolarHBondContact O-N 3.42Å; K516-W518 VanDerWaalsContact C-N 3.34Å; K516-S520 WeakPolarHBondContact O-CB 3.4Å; K516-S520 PolarHBondContact O-N 3.22Å; K516-S520 VanDerWaalsContact O-N 3.12Å
517	T	92	Very high	92.5	Very high	57 Å²	57	71.6 Å²	71.6	35%	0.35	34%	0.335	S	S	.	.	H	α-helix	trans	-67	-38.5	177.3	-41.4	0	0	0	0	110.9	H514 W521 F634	H514-T517 PolarHBondContact O-N 3.46Å; H514-T517 VanDerWaalsContact O-N 3.09Å; T517-W521 WeakPolarHBondContact O-CB 3.29Å; T517-W521 PolarHBondContact O-N 2.95Å; T517-W521 VanDerWaalsContact O-N 3.11Å; T517-F634 HydrophobicContact CG2-CE2 4.01Å; T517-F634 HydrophobicContact CG2-CZ 3.63Å
518	W	94.3	Very high	92.2	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-54.6	173.7	178.7	-96.3	0	0	0	112.1	A498 L507 I509 H514 V515 K516 S520 W521 M522 L633 V637 A638 V641	A498-W518 HydrophobicContact CB-CZ2 3.98Å; A498-W518 PolarHBondContact O-NE1 3.09Å; L507-W518 HydrophobicContact CD2-CZ2 4.36Å; I509-W518 HydrophobicContact CD1-CB 4.03Å; I509-W518 HydrophobicContact CD1-CD2 3.71Å; I509-W518 HydrophobicContact CD1-CE3 4.02Å; I509-W518 HydrophobicContact CD1-CG 3.74Å; H514-W518 PolarHBondContact O-N 3.44Å; V515-W518 WeakPolarHBondContact O-CB 3.37Å; V515-W518 PolarHBondContact O-N 2.82Å; K516-W518 VanDerWaalsContact C-N 3.34Å; W518-S520 PolarHBondContact O-N 3.35Å; W518-W521 PolarHBondContact O-N 3.49Å; W518-M522 HydrophobicContact CD2-CE 3.86Å; W518-M522 HydrophobicContact CD2-CG 4.43Å; W518-M522 HydrophobicContact CE3-CE 3.87Å; W518-M522 HydrophobicContact CH2-CE 3.41Å; W518-M522 VanDerWaalsContact CH2-CE 3.41Å; W518-M522 HydrophobicContact CZ2-CE 3.37Å; W518-M522 HydrophobicContact CZ3-CE 3.65Å; W518-M522 VanDerWaalsContact O-CG 3.29Å; W518-M522 WeakPolarHBondContact O-CG 3.31Å; W518-M522 PolarHBondContact O-N 2.66Å; W518-L633 HydrophobicContact CE3-CD1 3.77Å; W518-L633 HydrophobicContact CE3-CG 4.15Å; W518-L633 HydrophobicContact CZ3-CD1 3.87Å; W518-L633 HydrophobicContact CZ3-CG 4.48Å; W518-V637 HydrophobicContact CZ3-CG1 4.35Å; W518-A638 HydrophobicContact CH2-CB 4.13Å; W518-A638 HydrophobicContact CZ3-CB 3.92Å; W518-V641 HydrophobicContact CH2-CB 4.49Å; W518-V641 HydrophobicContact CH2-CG2 4.21Å
519	R	93.9	Very high	91.8	Very high	105 Å²	105	66.5 Å²	66.5	40%	0.396	32%	0.318	S	S	.	.	H	α-helix	trans	-58.1	-51.2	179.6	-72.8	-171.5	-171.5	179.1	7.8	112.3	V499 N503 V515 W521 M522 E523	V499-R519 HydrophobicContact CG1-CG 4.43Å; N503-R519 PolarHBondContact OD1-NE 2.87Å; N503-R519 PolarHBondContact OD1-NH2 3Å; V515-R519 PolarHBondContact O-N 2.9Å; R519-W521 PolarHBondContact O-N 3.3Å; R519-M522 PolarHBondContact O-N 3.36Å; R519-M522 VanDerWaalsContact O-N 3.13Å; R519-E523 WeakPolarHBondContact O-CB 3.15Å; R519-E523 VanDerWaalsContact O-CG 3.3Å; R519-E523 WeakPolarHBondContact O-CG 3.38Å; R519-E523 PolarHBondContact O-N 3.28Å
520	S	92.6	Very high	91.7	Very high	65 Å²	65	66.3 Å²	66.3	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-58.1	-36.5	-178.9	177	0	0	0	0	112.4	K516 W518 N524	K516-S520 WeakPolarHBondContact O-CB 3.4Å; K516-S520 PolarHBondContact O-N 3.22Å; K516-S520 VanDerWaalsContact O-N 3.12Å; W518-S520 PolarHBondContact O-N 3.35Å; S520-N524 PolarHBondContact O-ND2 3.05Å
521	W	90.6	Very high	91.6	Very high	64 Å²	64	64.3 Å²	64.3	24%	0.242	31%	0.307	C	S	.	.	H	α-helix	trans	-73.8	-41.3	178.2	-167.7	87.9	0	0	0	112.5	T517 W518 R519 N524 I525 F634 A638 R639	T517-W521 WeakPolarHBondContact O-CB 3.29Å; T517-W521 PolarHBondContact O-N 2.95Å; T517-W521 VanDerWaalsContact O-N 3.11Å; W518-W521 PolarHBondContact O-N 3.49Å; R519-W521 PolarHBondContact O-N 3.3Å; W521-N524 PolarHBondContact O-N 3.07Å; W521-I525 HydrophobicContact CE3-CD1 4.07Å; W521-I525 HydrophobicContact CH2-CD1 3.63Å; W521-I525 HydrophobicContact CH2-CG1 4.12Å; W521-I525 HydrophobicContact CZ3-CD1 3.31Å; W521-I525 HydrophobicContact CZ3-CG1 4.09Å; W521-I525 PolarHBondContact O-N 3.38Å; W521-F634 HydrophobicContact CB-CD1 3.81Å; W521-F634 HydrophobicContact CB-CE1 3.34Å; W521-F634 HydrophobicContact CB-CE2 4.44Å; W521-F634 HydrophobicContact CB-CZ 3.71Å; W521-F634 AromaticContact CD1-CD1 3.92Å; W521-F634 AromaticContact CD1-CD2 3.93Å; W521-F634 AromaticContact CD1-CG 3.84Å; W521-F634 HydrophobicContact CD2-CB 4.07Å; W521-F634 AromaticContact CD2-CD1 3.31Å; W521-F634 HydrophobicContact CD2-CD1 3.31Å; W521-F634 AromaticContact CD2-CE1 3.88Å; W521-F634 HydrophobicContact CD2-CE1 3.88Å; W521-F634 AromaticContact CD2-CG 3.72Å; W521-F634 HydrophobicContact CD2-CG 3.72Å; W521-F634 AromaticContact CE2-CD1 3.87Å; W521-F634 AromaticContact CE2-CG 3.77Å; W521-F634 HydrophobicContact CE3-CB 4.48Å; W521-F634 AromaticContact CE3-CD1 3.58Å; W521-F634 HydrophobicContact CE3-CD1 3.58Å; W521-F634 HydrophobicContact CE3-CE1 4.21Å; W521-F634 HydrophobicContact CE3-CG 4.29Å; W521-F634 AromaticContact CG-CD1 3.4Å; W521-F634 HydrophobicContact CG-CD1 3.4Å; W521-F634 HydrophobicContact CG-CD2 4.2Å; W521-F634 AromaticContact CG-CE1 3.48Å; W521-F634 HydrophobicContact CG-CE1 3.48Å; W521-F634 VanDerWaalsContact CG-CE1 3.48Å; W521-F634 HydrophobicContact CG-CE2 4.26Å; W521-F634 AromaticContact CG-CG 3.79Å; W521-F634 HydrophobicContact CG-CG 3.79Å; W521-F634 AromaticContact CG-CZ 3.93Å; W521-F634 HydrophobicContact CG-CZ 3.93Å; W521-F634 HydrophobicContact CH2-CB 4.22Å; W521-F634 HydrophobicContact CZ2-CB 3.82Å; W521-F634 HydrophobicContact CZ2-CG 4.38Å; W521-F634 HydrophobicContact CZ3-CD1 4.28Å; W521-F634 AromaticContact NE1-CG 3.82Å; W521-A638 HydrophobicContact CZ3-CB 4.02Å; W521-R639 VanDerWaalsContact CH2-NH1 3.34Å
522	M	93.1	Very high	91.4	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.03	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-37.7	178.3	-67	-58.3	-178.9	0	0	112.9	A495 A498 V499 W518 R519 N524 I525 A638 F642	A495-M522 HydrophobicContact CB-CB 4.24Å; A495-M522 HydrophobicContact CB-SD 3.99Å; A498-M522 HydrophobicContact CB-CE 4.28Å; V499-M522 HydrophobicContact CG2-CB 3.39Å; V499-M522 HydrophobicContact CG2-CG 3.82Å; W518-M522 HydrophobicContact CD2-CE 3.86Å; W518-M522 HydrophobicContact CD2-CG 4.43Å; W518-M522 HydrophobicContact CE3-CE 3.87Å; W518-M522 HydrophobicContact CH2-CE 3.41Å; W518-M522 VanDerWaalsContact CH2-CE 3.41Å; W518-M522 HydrophobicContact CZ2-CE 3.37Å; W518-M522 HydrophobicContact CZ3-CE 3.65Å; W518-M522 VanDerWaalsContact O-CG 3.29Å; W518-M522 WeakPolarHBondContact O-CG 3.31Å; W518-M522 PolarHBondContact O-N 2.66Å; R519-M522 PolarHBondContact O-N 3.36Å; R519-M522 VanDerWaalsContact O-N 3.13Å; M522-N524 VanDerWaalsContact C-N 3.27Å; M522-N524 PolarHBondContact O-N 2.96Å; M522-I525 WeakPolarHBondContact O-CB 3.25Å; M522-I525 WeakPolarHBondContact O-CG2 3.46Å; M522-I525 PolarHBondContact O-N 2.91Å; M522-I525 HydrophobicContact SD-CD1 4.22Å; M522-A638 HydrophobicContact CE-CB 3.57Å; M522-F642 HydrophobicContact CE-CE1 3.66Å; M522-F642 HydrophobicContact CE-CZ 3.87Å; M522-F642 HydrophobicContact SD-CE1 3.65Å; M522-F642 HydrophobicContact SD-CZ 3.43Å; M522-F642 WeakPolarHBondContact SD-CZ 3.45Å
523	E	90.5	Very high	91.2	Very high	139 Å²	139	56.4 Å²	56.4	65%	0.65	27%	0.265	S	S	*	.	H	α-helix	trans	-65.8	-28.8	178	-73.4	165.8	-173.3	0	0	112.7	R519	R519-E523 WeakPolarHBondContact O-CB 3.15Å; R519-E523 VanDerWaalsContact O-CG 3.3Å; R519-E523 WeakPolarHBondContact O-CG 3.38Å; R519-E523 PolarHBondContact O-N 3.28Å
524	N	88.3	Confident	91	Very high	121 Å²	121	51.7 Å²	51.7	65%	0.647	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	20	-178.4	-64.1	-70	0	0	0	112.9	S520 W521 M522	S520-N524 PolarHBondContact O-ND2 3.05Å; W521-N524 PolarHBondContact O-N 3.07Å; M522-N524 VanDerWaalsContact C-N 3.27Å; M522-N524 PolarHBondContact O-N 2.96Å
525	I	88.8	Confident	90.8	Very high	34 Å²	34	53.5 Å²	53.5	17%	0.174	25%	0.251	C	S	.	.			trans	-69.5	144.9	-173.9	-157.2	161.8	0	0	0	111.8	C491 A495 W521 M522 F642	C491-I525 HydrophobicContact CB-CD1 3.85Å; C491-I525 HydrophobicContact CB-CG1 3.94Å; C491-I525 HydrophobicContact CB-CG2 4Å; A495-I525 HydrophobicContact CB-CB 4.48Å; A495-I525 HydrophobicContact CB-CD1 4.24Å; A495-I525 HydrophobicContact CB-CG2 3.7Å; W521-I525 HydrophobicContact CE3-CD1 4.07Å; W521-I525 HydrophobicContact CH2-CD1 3.63Å; W521-I525 HydrophobicContact CH2-CG1 4.12Å; W521-I525 HydrophobicContact CZ3-CD1 3.31Å; W521-I525 HydrophobicContact CZ3-CG1 4.09Å; W521-I525 PolarHBondContact O-N 3.38Å; M522-I525 WeakPolarHBondContact O-CB 3.25Å; M522-I525 WeakPolarHBondContact O-CG2 3.46Å; M522-I525 PolarHBondContact O-N 2.91Å; M522-I525 HydrophobicContact SD-CD1 4.22Å; I525-F642 HydrophobicContact CD1-CE2 3.48Å; I525-F642 VanDerWaalsContact CD1-CE2 3.48Å; I525-F642 HydrophobicContact CD1-CZ 3.5Å; I525-F642 VanDerWaalsContact CD1-CZ 3.5Å
526	R	86.7	Confident	90.6	Very high	162 Å²	162	52.2 Å²	52.2	61%	0.611	24%	0.243	S	C	*	.			trans	-109.8	160.9	170.9	-64.8	178.3	176.8	-176.5	-7.6	110.2	D280 C491 W528	D280-R526 IonicContact OD2-NH1 2.69Å; D280-R526 PolarHBondContact OD2-NH1 3.46Å; C491-R526 PolarHBondContact SG-O 2.97Å; R526-W528 PolarHBondContact O-N 3.29Å
527	D	91	Very high	90.6	Very high	43 Å²	43	44.3 Å²	44.3	23%	0.23	21%	0.212	C	C	.	.			trans	-58.1	134.2	172.1	-60.5	-27.3	0	0	0	110.4	Y262 R266 Y488 V489 K490 C529	Y262-D527 PolarHBondContact OH-OD2 3.38Å; R266-D527 IonicContact CZ-OD2 3.22Å; R266-D527 IonicContact NH1-OD2 2.7Å; R266-D527 PolarHBondContact NH1-OD2 3.44Å; R266-D527 IonicContact NH2-OD2 2.87Å; R266-D527 PolarHBondContact NH2-OD2 3.39Å; R266-D527 VanDerWaalsContact NH2-OD2 3.08Å; Y488-D527 HydrophobicContact CD1-CB 4.33Å; V489-D527 CarbonylContact O-C 3.59Å; V489-D527 VanDerWaalsContact O-CA 3.3Å; V489-D527 WeakPolarHBondContact O-CA 3.47Å; V489-D527 WeakPolarHBondContact O-CB 3.4Å; K490-D527 WeakPolarHBondContact CA-OD1 3.45Å; D527-C529 PolarHBondContact O-N 3.07Å
528	W	90.7	Very high	90.7	Very high	15 Å²	15	42.1 Å²	42.1	6%	0.057	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.7	-172.5	167.3	30.3	0	0	0	110.6	Y488 V489 R526 I530 D595 W597 F598 R639	Y488-W528 CarbonylContact C-O 3.19Å; Y488-W528 VanDerWaalsContact CA-O 3.27Å; Y488-W528 WeakPolarHBondContact CA-O 3.27Å; V489-W528 HydrophobicContact CB-CB 4.35Å; V489-W528 HydrophobicContact CB-CE3 4.09Å; V489-W528 HydrophobicContact CG1-CE3 4.36Å; V489-W528 HydrophobicContact CG2-CE3 4.05Å; V489-W528 PolarHBondContact N-O 2.99Å; V489-W528 PolarHBondContact O-N 3.34Å; R526-W528 PolarHBondContact O-N 3.29Å; W528-I530 HydrophobicContact CD2-CG2 3.47Å; W528-I530 VanDerWaalsContact CD2-CG2 3.47Å; W528-I530 HydrophobicContact CE3-CG2 3.77Å; W528-I530 HydrophobicContact CG-CG2 3.93Å; W528-I530 HydrophobicContact CH2-CG2 4.28Å; W528-I530 HydrophobicContact CZ2-CG2 3.94Å; W528-I530 HydrophobicContact CZ3-CG2 4.16Å; W528-I530 PolarHBondContact O-N 3.37Å; W528-D595 HydrophobicContact CZ2-CB 4.37Å; W528-D595 PolarHBondContact NE1-OD2 3.2Å; W528-W597 HydrophobicContact CH2-CB 4.48Å; W528-W597 HydrophobicContact CZ2-CB 3.86Å; W528-F598 VanDerWaalsContact CH2-CA 3.48Å; W528-F598 HydrophobicContact CH2-CB 3.86Å; W528-F598 AromaticContact CH2-CD2 3.85Å; W528-F598 HydrophobicContact CH2-CD2 3.85Å; W528-F598 HydrophobicContact CH2-CG 4.33Å; W528-F598 HydrophobicContact CZ2-CB 4.05Å; W528-F598 AromaticContact CZ3-CD2 3.94Å; W528-F598 HydrophobicContact CZ3-CD2 3.94Å; W528-R639 HydrophobicContact CH2-CG 4.22Å; W528-R639 HydrophobicContact CZ3-CG 4.48Å
529	C	90.1	Very high	90.7	Very high	17 Å²	17	46.9 Å²	46.9	12%	0.115	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	112.5	171.1	-178.1	0	0	0	0	110.4	W487 Y488 D527 R532	W487-C529 WeakPolarHBondContact O-CA 3.5Å; Y488-C529 HydrophobicContact CD1-CB 4.03Å; Y488-C529 HydrophobicContact CE1-CB 3.68Å; D527-C529 PolarHBondContact O-N 3.07Å; C529-R532 PolarHBondContact O-NH1 2.95Å; C529-R532 PolarHBondContact O-NH2 3.07Å
530	I	92.7	Very high	90.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.			trans	-102.9	-10.7	-175.2	57.2	164.7	0	0	0	114.3	F252 I261 W487 V489 W528 L594 D595 F598	F252-I530 HydrophobicContact CD2-CD1 4.21Å; F252-I530 HydrophobicContact CE2-CD1 3.89Å; I261-I530 HydrophobicContact CD1-CD1 3.84Å; I261-I530 HydrophobicContact CG1-CD1 4.05Å; I261-I530 HydrophobicContact CG2-CD1 4.17Å; W487-I530 HydrophobicContact CB-CD1 4.13Å; W487-I530 HydrophobicContact CB-CG1 3.71Å; W487-I530 WeakPolarHBondContact O-CG1 3.35Å; W487-I530 PolarHBondContact O-N 2.97Å; V489-I530 HydrophobicContact CB-CG2 4.42Å; V489-I530 HydrophobicContact CG2-CD1 3.89Å; V489-I530 HydrophobicContact CG2-CG1 4.29Å; V489-I530 HydrophobicContact CG2-CG2 3.52Å; W528-I530 HydrophobicContact CD2-CG2 3.47Å; W528-I530 VanDerWaalsContact CD2-CG2 3.47Å; W528-I530 HydrophobicContact CE3-CG2 3.77Å; W528-I530 HydrophobicContact CG-CG2 3.93Å; W528-I530 HydrophobicContact CH2-CG2 4.28Å; W528-I530 HydrophobicContact CZ2-CG2 3.94Å; W528-I530 HydrophobicContact CZ3-CG2 4.16Å; W528-I530 PolarHBondContact O-N 3.37Å; I530-L594 HydrophobicContact CB-CD2 4.36Å; I530-L594 HydrophobicContact CD1-CD2 3.92Å; I530-L594 HydrophobicContact CG1-CD2 4.35Å; I530-L594 CarbonylContact O-C 3.47Å; I530-L594 WeakPolarHBondContact O-CA 3.4Å; I530-D595 PolarHBondContact O-N 3.28Å; I530-F598 HydrophobicContact CD1-CE2 4.45Å; I530-F598 HydrophobicContact CG2-CD2 4.04Å
531	S	92.1	Very high	91	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.3	177	47.4	0	0	0	0	112.5	Q486 W487 V593	Q486-S531 WeakPolarHBondContact CA-OG 3.27Å; Q486-S531 VanDerWaalsContact CB-OG 3.3Å; Q486-S531 WeakPolarHBondContact CB-OG 3.41Å; Q486-S531 VanDerWaalsContact CD-OG 3.27Å; Q486-S531 PolarHBondContact OE1-O 3.49Å; Q486-S531 PolarHBondContact OE1-OG 3.03Å; W487-S531 PolarHBondContact N-OG 3.46Å; S531-V593 CarbonylContact C-O 3.49Å
532	R	87.3	Confident	91.3	Very high	3 Å²	3	36 Å²	36	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138.1	179	-61.3	-68.4	180	-84.6	-8.8	109.6	A277 C529 L534 V593 D595	A277-R532 VanDerWaalsContact O-CD 3.31Å; A277-R532 WeakPolarHBondContact O-CD 3.49Å; C529-R532 PolarHBondContact O-NH1 2.95Å; C529-R532 PolarHBondContact O-NH2 3.07Å; R532-L534 HydrophobicContact CB-CD1 3.76Å; R532-L534 HydrophobicContact CB-CG 3.97Å; R532-L534 HydrophobicContact CG-CD1 4.32Å; R532-L534 PolarHBondContact O-N 3.21Å; R532-V593 HydrophobicContact CB-CG2 4.16Å; R532-V593 PolarHBondContact N-O 3.42Å; R532-V593 WeakPolarHBondContact O-CG2 3.27Å; R532-V593 PolarHBondContact O-N 3.11Å; R532-D595 HydrophobicContact CG-CB 4.41Å; R532-D595 IonicContact CZ-OD2 2.78Å; R532-D595 IonicContact NH2-OD1 2.74Å; R532-D595 IonicContact NH2-OD2 2.59Å; R532-D595 PolarHBondContact NH2-OD2 3.39Å
533	Q	88	Confident	91.4	Very high	34 Å²	34	36.6 Å²	36.6	16%	0.159	17%	0.167	C	C	.	.			trans	-87.9	52	-179.3	-64.4	64.4	53.2	0	0	110.2	W270 R275 S276 D592	W270-Q533 HydrophobicContact CH2-CG 4.04Å; W270-Q533 HydrophobicContact CZ3-CG 4.22Å; W270-Q533 VanDerWaalsContact CZ3-OE1 3.31Å; R275-Q533 VanDerWaalsContact O-CB 3.24Å; R275-Q533 WeakPolarHBondContact O-CB 3.48Å; S276-Q533 PolarHBondContact OG-N 3.34Å; Q533-D592 WeakPolarHBondContact CG-OD1 3.19Å; Q533-D592 VanDerWaalsContact NE2-CG 3.27Å; Q533-D592 PolarHBondContact NE2-OD1 3Å; Q533-D592 VanDerWaalsContact NE2-OD1 3.14Å; Q533-D592 PolarHBondContact NE2-OD2 3.47Å
534	L	86.5	Confident	91.6	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	14%	0.139	C	C	.	.			trans	-105.1	165.9	178.9	-55.4	163.3	0	0	0	109.5	I179 R532 V593	I179-L534 HydrophobicContact CB-CD1 3.61Å; I179-L534 HydrophobicContact CB-CD2 4.05Å; I179-L534 HydrophobicContact CB-CG 4.48Å; I179-L534 HydrophobicContact CD1-CD2 4.32Å; I179-L534 HydrophobicContact CG1-CD2 4.25Å; I179-L534 HydrophobicContact CG2-CD1 4.3Å; R532-L534 HydrophobicContact CB-CD1 3.76Å; R532-L534 HydrophobicContact CB-CG 3.97Å; R532-L534 HydrophobicContact CG-CD1 4.32Å; R532-L534 PolarHBondContact O-N 3.21Å; L534-V593 HydrophobicContact CB-CG2 3.65Å; L534-V593 HydrophobicContact CD1-CG2 4.32Å; L534-V593 HydrophobicContact CG-CG2 4.41Å
535	W	89.1	Confident	91.8	Very high	47 Å²	47	24.7 Å²	24.7	18%	0.178	11%	0.108	C	C	.	.	S	Bend	trans	-96.1	-30.8	173.3	-66.3	-6.8	0	0	0	111.5	R197 H198 R202 F205 L206	R197-W535 HydrophobicContact CB-CE3 4.05Å; R197-W535 HydrophobicContact CB-CH2 4.18Å; R197-W535 HydrophobicContact CB-CZ3 3.6Å; R197-W535 HydrophobicContact CG-CE3 4.24Å; R197-W535 HydrophobicContact CG-CH2 3.93Å; R197-W535 HydrophobicContact CG-CZ2 4.47Å; R197-W535 HydrophobicContact CG-CZ3 3.81Å; R197-W535 WeakPolarHBondContact O-CH2 3.09Å; R197-W535 WeakPolarHBondContact O-CZ3 3.48Å; H198-W535 AromaticContact CE1-CZ2 3.93Å; H198-W535 AromaticContact ND1-CH2 3.9Å; H198-W535 AromaticContact ND1-CZ2 3.79Å; R202-W535 HydrophobicContact CB-CD2 4.26Å; R202-W535 HydrophobicContact CB-CE3 4.19Å; R202-W535 HydrophobicContact CB-CZ3 4.33Å; R202-W535 HydrophobicContact CG-CB 4.35Å; R202-W535 HydrophobicContact CG-CD2 4.04Å; R202-W535 HydrophobicContact CG-CE3 4.26Å; R202-W535 HydrophobicContact CG-CG 4.08Å; F205-W535 HydrophobicContact CB-CE3 3.94Å; F205-W535 HydrophobicContact CB-CZ3 3.97Å; F205-W535 HydrophobicContact CD1-CB 4.35Å; F205-W535 AromaticContact CD1-CE3 3.69Å; F205-W535 HydrophobicContact CD1-CE3 3.69Å; F205-W535 HydrophobicContact CD1-CZ3 4.44Å; F205-W535 AromaticContact CG-CE3 3.95Å; F205-W535 HydrophobicContact CG-CE3 3.95Å; F205-W535 HydrophobicContact CG-CZ3 4.26Å; L206-W535 WeakPolarHBondContact CD2-O 3.26Å
536	W	90.6	Very high	91.9	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.011	11%	0.11	C	C	.	.	S	Bend	trans	-93	125.3	177.7	-173.8	-120.5	0	0	0	112.1	H176 Q182 L206 V209 W210 F238 M240	H176-W536 HydrophobicContact CB-CZ2 4.09Å; H176-W536 AromaticContact CD2-CD1 3.93Å; H176-W536 AromaticContact CD2-NE1 3.7Å; H176-W536 PolarHBondContact O-NE1 3.38Å; Q182-W536 HydrophobicContact CB-CB 4.2Å; Q182-W536 VanDerWaalsContact OE1-N 3.14Å; L206-W536 HydrophobicContact CD2-CE3 3.73Å; L206-W536 HydrophobicContact CD2-CZ3 4.34Å; V209-W536 HydrophobicContact CB-CD2 4.4Å; V209-W536 HydrophobicContact CB-CE3 4.23Å; V209-W536 HydrophobicContact CG1-CD2 3.43Å; V209-W536 VanDerWaalsContact CG1-CD2 3.43Å; V209-W536 HydrophobicContact CG1-CE3 3.68Å; V209-W536 HydrophobicContact CG1-CG 3.82Å; V209-W536 HydrophobicContact CG1-CH2 4.19Å; V209-W536 HydrophobicContact CG1-CZ2 3.95Å; V209-W536 HydrophobicContact CG1-CZ3 4.06Å; W210-W536 AromaticContact CD1-CZ3 3.85Å; W210-W536 AromaticContact CD2-CH2 3.75Å; W210-W536 HydrophobicContact CD2-CH2 3.75Å; W210-W536 HydrophobicContact CD2-CZ3 4.19Å; W210-W536 AromaticContact CE2-CH2 3.48Å; W210-W536 VanDerWaalsContact CE2-CH2 3.48Å; W210-W536 AromaticContact CE2-CZ3 3.69Å; W210-W536 HydrophobicContact CE3-CH2 4.21Å; W210-W536 HydrophobicContact CG-CH2 4.2Å; W210-W536 HydrophobicContact CG-CZ3 4.28Å; W210-W536 HydrophobicContact CH2-CH2 4.19Å; W210-W536 AromaticContact CZ2-CH2 3.72Å; W210-W536 HydrophobicContact CZ2-CH2 3.72Å; W210-W536 HydrophobicContact CZ2-CZ3 4.15Å; W210-W536 HydrophobicContact CZ3-CH2 4.41Å; W210-W536 AromaticContact NE1-CH2 3.78Å; W210-W536 AromaticContact NE1-CZ3 3.47Å; F238-W536 HydrophobicContact CE1-CZ2 4.44Å; F238-W536 HydrophobicContact CZ-CZ2 4.05Å; M240-W536 HydrophobicContact CE-CE3 4.28Å; M240-W536 HydrophobicContact CE-CH2 4.03Å; M240-W536 HydrophobicContact CE-CZ2 4.44Å; M240-W536 HydrophobicContact CE-CZ3 3.95Å; M240-W536 HydrophobicContact SD-CD2 4.1Å; M240-W536 HydrophobicContact SD-CE3 4.26Å; M240-W536 HydrophobicContact SD-CH2 3.69Å; M240-W536 HydrophobicContact SD-CZ2 3.51Å; M240-W536 VanDerWaalsContact SD-CZ2 3.51Å; M240-W536 HydrophobicContact SD-CZ3 4.07Å
537	G	92.9	Very high	92	Very high	10 Å²	10	17.9 Å²	17.9	10%	0.103	9%	0.085	C	C	.	.	S	Bend	trans	142.1	-176.5	-178.5	0	0	0	0	0	111.7	R539	G537-R539 PolarHBondContact O-N 3.32Å
538	H	95.2	Very high	91.7	Very high	11 Å²	11	19 Å²	19	5%	0.051	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-78.6	117.3	175.8	-62.2	-92.2	0	0	0	109.9	T239 C245 V248 I540 V593 L594 S599	T239-H538 PolarHBondContact O-CE1 3.2Å; T239-H538 PolarHBondContact O-NE2 3.3Å; C245-H538 VanDerWaalsContact SG-CE1 3.59Å; V248-H538 HydrophobicContact CG1-CB 3.88Å; H538-I540 PolarHBondContact O-N 3.09Å; H538-V593 CarbonylContact O-C 3.44Å; H538-V593 WeakPolarHBondContact O-CA 3.48Å; H538-V593 WeakPolarHBondContact O-CB 3.37Å; H538-L594 HydrophobicContact CB-CB 4.38Å; H538-L594 HydrophobicContact CB-CD1 4.17Å; H538-L594 PolarHBondContact O-N 3.05Å; H538-S599 WeakPolarHBondContact NE2-CB 3.47Å
539	R	94.5	Very high	91.1	Very high	99 Å²	99	22.5 Å²	22.5	37%	0.374	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-63.4	136	175.2	-167.4	176.2	-179.6	-170.3	7.2	110	G537 Q589 D590	G537-R539 PolarHBondContact O-N 3.32Å; R539-Q589 PolarHBondContact NH2-O 3.18Å; R539-D590 WeakPolarHBondContact CG-O 3.5Å; R539-D590 PolarHBondContact NE-O 2.95Å; R539-D590 PolarHBondContact NH2-O 2.88Å
540	I	96.2	Very high	90.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-63.6	127.3	-177.8	-67.6	178.5	0	0	0	109.7	F252 W487 H538 A542 Q589 D590 D592 L594	F252-I540 HydrophobicContact CD2-CG2 4.47Å; F252-I540 HydrophobicContact CE1-CG2 3.99Å; F252-I540 HydrophobicContact CE2-CG2 3.71Å; F252-I540 HydrophobicContact CZ-CG2 3.44Å; F252-I540 VanDerWaalsContact CZ-CG2 3.44Å; W487-I540 HydrophobicContact CG-CD1 4.11Å; H538-I540 PolarHBondContact O-N 3.09Å; I540-A542 HydrophobicContact CG2-CB 3.69Å; I540-A542 PolarHBondContact O-N 2.96Å; I540-Q589 WeakPolarHBondContact O-CG 3.45Å; I540-Q589 PolarHBondContact O-NE2 3.35Å; I540-D590 HydrophobicContact CB-CB 4.19Å; I540-D590 HydrophobicContact CG2-CB 4.32Å; I540-D592 HydrophobicContact CD1-CB 3.76Å; I540-D592 HydrophobicContact CG1-CB 4.48Å; I540-D592 PolarHBondContact N-O 3.48Å; I540-L594 HydrophobicContact CD1-CD2 4.22Å; I540-L594 HydrophobicContact CG1-CD2 3.78Å; I540-L594 HydrophobicContact CG1-CG 3.81Å
541	P	96.3	Very high	89.5	Confident	6 Å²	6	31.1 Å²	31.1	4%	0.039	20%	0.199	C	C	.	.			trans	-84	47.2	-179.6	36.3	-37.2	0	0	0	111.6	T249 F252 S563 G564	T249-P541 HydrophobicContact CG2-CB 3.87Å; T249-P541 HydrophobicContact CG2-CG 4.11Å; F252-P541 HydrophobicContact CB-CG 3.77Å; F252-P541 HydrophobicContact CD1-CG 3.58Å; F252-P541 HydrophobicContact CE1-CG 4.4Å; F252-P541 HydrophobicContact CG-CG 3.76Å; P541-S563 VanDerWaalsContact O-CA 3.27Å; P541-S563 WeakPolarHBondContact O-CA 3.3Å; P541-G564 PolarHBondContact O-N 3.43Å; P541-G564 VanDerWaalsContact O-N 3.07Å
542	A	96.1	Very high	88.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.7	176.2	0	0	0	0	0	110.2	F252 W487 I540 W561 V562 Q589 D590	F252-A542 HydrophobicContact CE1-CB 4.02Å; F252-A542 HydrophobicContact CZ-CB 4.29Å; W487-A542 HydrophobicContact CH2-CB 3.92Å; W487-A542 HydrophobicContact CZ2-CB 3.44Å; W487-A542 VanDerWaalsContact CZ2-CB 3.44Å; I540-A542 HydrophobicContact CG2-CB 3.69Å; I540-A542 PolarHBondContact O-N 2.96Å; A542-W561 HydrophobicContact CB-CE3 4.13Å; A542-V562 CarbonylContact C-O 3.54Å; A542-V562 WeakPolarHBondContact CA-O 3.11Å; A542-Q589 CarbonylContact O-C 3.52Å; A542-Q589 WeakPolarHBondContact O-CA 3.47Å; A542-D590 PolarHBondContact O-N 3.3Å
543	Y	95.7	Very high	88	Confident	19 Å²	19	40.2 Å²	40.2	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.4	-172.8	-58.1	-100.9	0	0	0	109.6	W561 V562 E567 A570 L587 R588 Q589	Y543-W561 VanDerWaalsContact C-CE3 3.45Å; Y543-W561 WeakPolarHBondContact O-CA 3.49Å; Y543-V562 PolarHBondContact N-O 3.45Å; Y543-V562 PolarHBondContact O-N 3.09Å; Y543-E567 HydrophobicContact CD1-CG 4.42Å; Y543-E567 HydrophobicContact CE1-CB 4.04Å; Y543-E567 HydrophobicContact CE1-CG 4.01Å; Y543-A570 HydrophobicContact CD2-CB 3.33Å; Y543-A570 HydrophobicContact CE2-CB 3.74Å; Y543-A570 HydrophobicContact CG-CB 3.81Å; Y543-L587 HydrophobicContact CD1-CB 4.28Å; Y543-L587 HydrophobicContact CD1-CD1 4.39Å; Y543-L587 HydrophobicContact CG-CD1 4.44Å; Y543-R588 WeakPolarHBondContact CA-O 3.37Å; Y543-Q589 HydrophobicContact CD1-CB 3.75Å; Y543-Q589 HydrophobicContact CD1-CG 4.25Å; Y543-Q589 HydrophobicContact CE1-CB 3.67Å; Y543-Q589 HydrophobicContact CE1-CG 3.95Å
544	F	94.3	Very high	87.5	Confident	10 Å²	10	43.3 Å²	43.3	4%	0.044	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.1	172	-176.6	-104.5	0	0	0	109.6	T546 G553 D555 F560 W561 L587 R588	F544-T546 WeakPolarHBondContact CE1-OG1 3.47Å; F544-G553 WeakPolarHBondContact CZ-O 3.22Å; F544-D555 WeakPolarHBondContact CD2-OD1 3.34Å; F544-D555 VanDerWaalsContact CE2-OD1 3.3Å; F544-D555 WeakPolarHBondContact CE2-OD1 3.46Å; F544-D555 WeakPolarHBondContact CG-OD1 3.35Å; F544-D555 WeakPolarHBondContact CZ-OD1 3.22Å; F544-F560 HydrophobicContact CD2-CB 3.91Å; F544-F560 HydrophobicContact CE2-CB 3.46Å; F544-F560 VanDerWaalsContact CE2-CB 3.46Å; F544-F560 HydrophobicContact CE2-CG 4.25Å; F544-F560 HydrophobicContact CZ-CB 4.23Å; F544-W561 HydrophobicContact CB-CD2 4.17Å; F544-W561 HydrophobicContact CB-CE3 3.97Å; F544-W561 HydrophobicContact CB-CH2 3.67Å; F544-W561 HydrophobicContact CB-CZ2 3.85Å; F544-W561 HydrophobicContact CB-CZ3 3.72Å; F544-W561 HydrophobicContact CD2-CD2 4.22Å; F544-W561 AromaticContact CD2-CE2 3.7Å; F544-W561 AromaticContact CD2-CZ2 3.92Å; F544-W561 HydrophobicContact CD2-CZ2 3.92Å; F544-W561 AromaticContact CD2-NE1 3.75Å; F544-W561 HydrophobicContact CG-CZ2 4.24Å; F544-W561 VanDerWaalsContact N-CE3 3.33Å; F544-L587 WeakPolarHBondContact O-CA 3.22Å; F544-R588 PolarHBondContact N-O 2.8Å; F544-R588 PolarHBondContact O-N 2.65Å
545	V	93.1	Very high	87.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.1	-176.6	-174.4	0	0	0	0	109.9	V547 F560 V562 A574 F578 I585 L587	V545-V547 HydrophobicContact CG1-CG2 4.13Å; V545-F560 WeakPolarHBondContact CG2-O 3.4Å; V545-F560 PolarHBondContact N-O 3.5Å; V545-V562 HydrophobicContact CG2-CB 4.46Å; V545-V562 HydrophobicContact CG2-CG1 4.06Å; V545-V562 HydrophobicContact CG2-CG2 3.63Å; V545-A574 HydrophobicContact CB-CB 4.46Å; V545-A574 HydrophobicContact CG1-CB 3.88Å; V545-A574 HydrophobicContact CG2-CB 3.65Å; V545-F578 HydrophobicContact CB-CD2 4.39Å; V545-F578 HydrophobicContact CB-CE2 3.79Å; V545-F578 HydrophobicContact CB-CZ 4.47Å; V545-F578 HydrophobicContact CG1-CD2 3.77Å; V545-F578 HydrophobicContact CG1-CE2 3.68Å; V545-F578 HydrophobicContact CG2-CE2 4.05Å; V545-I585 HydrophobicContact CG1-CG2 3.76Å; V545-L587 HydrophobicContact CB-CD2 4.38Å; V545-L587 HydrophobicContact CG2-CD2 3.82Å
546	T	91.7	Very high	86.6	Confident	36 Å²	36	46.3 Å²	46.3	22%	0.221	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.6	167.6	-61.5	0	0	0	0	109.7	F544 K552 S586	F544-T546 WeakPolarHBondContact CE1-OG1 3.47Å; T546-K552 HydrophobicContact CG2-CG 4.41Å; T546-S586 WeakPolarHBondContact CB-OG 3.43Å; T546-S586 PolarHBondContact N-O 2.87Å; T546-S586 PolarHBondContact O-N 3.06Å; T546-S586 PolarHBondContact O-OG 3.21Å
547	V	87.7	Confident	86.1	Confident	16 Å²	16	49.5 Å²	49.5	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.3	-179.9	-178.6	0	0	0	0	109.7	V545 G549 C550 F578 V580 I585	V545-V547 HydrophobicContact CG1-CG2 4.13Å; V547-G549 PolarHBondContact O-N 3Å; V547-C550 HydrophobicContact CB-CB 4.21Å; V547-C550 HydrophobicContact CG1-CB 4.41Å; V547-C550 PolarHBondContact O-N 3.33Å; V547-F578 HydrophobicContact CG2-CB 4.15Å; V547-F578 HydrophobicContact CG2-CD1 4.25Å; V547-F578 HydrophobicContact CG2-CD2 4.44Å; V547-F578 HydrophobicContact CG2-CG 4.02Å; V547-V580 HydrophobicContact CG1-CB 4.35Å; V547-V580 HydrophobicContact CG1-CG1 4.11Å; V547-V580 HydrophobicContact CG1-CG2 3.86Å; V547-I585 HydrophobicContact CG2-CG1 4.41Å
548	A	84.4	Confident	85.7	Confident	66 Å²	66	51.3 Å²	51.3	55%	0.545	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	132.4	176.7	0	0	0	0	0	111.2	C550 N584	A548-C550 VanDerWaalsContact C-N 3.31Å; A548-C550 PolarHBondContact O-N 2.99Å; A548-N584 HydrophobicContact CB-CB 4.25Å; A548-N584 PolarHBondContact N-O 3.29Å
549	G	77.5	Confident	85.2	Confident	90 Å²	90	57 Å²	57	93%	0.928	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-3.5	-179.9	0	0	0	0	0	115.4	V547	V547-G549 PolarHBondContact O-N 3Å
550	C	76.8	Confident	85	Confident	76 Å²	76	54.1 Å²	54.1	51%	0.514	32%	0.321	S	S	.	.	S	Bend	trans	-102.8	154.5	172.1	-63.4	0	0	0	0	111.4	V547 A548 K552	V547-C550 HydrophobicContact CB-CB 4.21Å; V547-C550 HydrophobicContact CG1-CB 4.41Å; V547-C550 PolarHBondContact O-N 3.33Å; A548-C550 VanDerWaalsContact C-N 3.31Å; A548-C550 PolarHBondContact O-N 2.99Å; C550-K552 PolarHBondContact O-N 3.5Å
551	P	74.4	Confident	84.8	Confident	122 Å²	122	54.2 Å²	54.2	79%	0.792	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-53.6	136.3	167.6	-21	31.7	0	0	0	109.7	G553	P551-G553 PolarHBondContact O-N 3.34Å
552	K	73.8	Confident	84.7	Confident	178 Å²	178	54 Å²	54	77%	0.774	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-55.7	125.3	174.2	-84.4	-174.7	174.4	-177.8	0	108.6	T546 C550	T546-K552 HydrophobicContact CG2-CG 4.41Å; C550-K552 PolarHBondContact O-N 3.5Å
553	G	72.4	Confident	84.7	Confident	16 Å²	16	54.2 Å²	54.2	17%	0.165	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-59.3	161.6	169.2	0	0	0	0	0	110.7	F544 P551 F560	F544-G553 WeakPolarHBondContact CZ-O 3.22Å; P551-G553 PolarHBondContact O-N 3.34Å; G553-F560 VanDerWaalsContact CA-CZ 3.5Å
554	D	77.8	Confident	84.7	Confident	99 Å²	99	53.3 Å²	53.3	53%	0.529	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-89.3	131	172.7	-163.4	-21.6	0	0	0	109	V556 D557	D554-V556 HydrophobicContact CB-CG2 3.92Å; D554-V556 PolarHBondContact O-N 3.2Å; D554-V556 WeakPolarHBondContact OD1-CG2 3.47Å; D554-V556 PolarHBondContact OD1-N 3.36Å; D554-V556 WeakPolarHBondContact OD2-CG2 3.43Å; D554-D557 PolarHBondContact O-N 3.47Å
555	D	77.9	Confident	84.6	Confident	57 Å²	57	57.7 Å²	57.7	31%	0.305	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.7	177.5	-99.1	24.1	0	0	0	112.3	R263 F544 W561 R588	R263-D555 PolarHBondContact NE-O 3.07Å; F544-D555 WeakPolarHBondContact CD2-OD1 3.34Å; F544-D555 VanDerWaalsContact CE2-OD1 3.3Å; F544-D555 WeakPolarHBondContact CE2-OD1 3.46Å; F544-D555 WeakPolarHBondContact CG-OD1 3.35Å; F544-D555 WeakPolarHBondContact CZ-OD1 3.22Å; D555-W561 PolarHBondContact O-NE1 3.41Å; D555-R588 IonicContact OD1-NH2 2.65Å; D555-R588 PolarHBondContact OD1-NH2 3.35Å; D555-R588 IonicContact OD2-CZ 3.77Å; D555-R588 IonicContact OD2-NH2 3.78Å; D555-R588 PolarHBondContact OD2-NH2 3.08Å
556	V	79.4	Confident	84.7	Confident	59 Å²	59	61.4 Å²	61.4	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-20.3	176.4	-52.4	0	0	0	0	113.8	V265 A485 D554	V265-V556 HydrophobicContact CG2-CB 3.61Å; V265-V556 HydrophobicContact CG2-CG1 3.87Å; V265-V556 HydrophobicContact CG2-CG2 4.41Å; A485-V556 HydrophobicContact CB-CB 4.24Å; A485-V556 HydrophobicContact CB-CG1 4.04Å; D554-V556 HydrophobicContact CB-CG2 3.92Å; D554-V556 PolarHBondContact O-N 3.2Å; D554-V556 WeakPolarHBondContact OD1-CG2 3.47Å; D554-V556 PolarHBondContact OD1-N 3.36Å; D554-V556 WeakPolarHBondContact OD2-CG2 3.43Å
557	D	81.1	Confident	84.8	Confident	70 Å²	70	65.3 Å²	65.3	37%	0.374	37%	0.373	S	S	.	.			trans	-91.9	113.7	-175	-178	0.2	0	0	0	111	D554 K559 F560	D554-D557 PolarHBondContact O-N 3.47Å; D557-K559 PolarHBondContact O-N 2.81Å; D557-K559 VanDerWaalsContact OD1-CB 3.28Å; D557-K559 WeakPolarHBondContact OD1-CB 3.31Å; D557-K559 PolarHBondContact OD1-N 3.33Å; D557-F560 HydrophobicContact CB-CD2 3.99Å; D557-F560 HydrophobicContact CB-CE2 4.41Å; D557-F560 PolarHBondContact O-N 2.94Å; D557-F560 VanDerWaalsContact O-N 3.09Å
558	D	83.4	Confident	85	Confident	47 Å²	47	69.5 Å²	69.5	25%	0.251	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-51.7	-28.1	178.3	-165.5	61.4	0	0	0	113.1	H256 R263 F560 W561	H256-D558 IonicContact NE2-OD1 3.99Å; R263-D558 HydrophobicContact CB-CB 4.02Å; R263-D558 WeakPolarHBondContact CB-OD1 2.84Å; R263-D558 PolarHBondContact N-OD1 2.92Å; D558-F560 PolarHBondContact O-N 3.49Å; D558-F560 VanDerWaalsContact O-N 3.16Å; D558-W561 PolarHBondContact O-N 3.03Å
559	K	85.4	Confident	85.5	Confident	130 Å²	130	68.1 Å²	68.1	57%	0.565	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-57.4	-32.7	178.6	-175.1	-178.9	176	-174.8	0	113.1	D557 W561	D557-K559 PolarHBondContact O-N 2.81Å; D557-K559 VanDerWaalsContact OD1-CB 3.28Å; D557-K559 WeakPolarHBondContact OD1-CB 3.31Å; D557-K559 PolarHBondContact OD1-N 3.33Å; K559-W561 VanDerWaalsContact C-N 3.32Å
560	F	89.6	Confident	86.3	Confident	40 Å²	40	63.9 Å²	63.9	18%	0.175	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-87.7	1.5	-179.6	-65.4	-84	0	0	0	113.7	F544 V545 G553 D557 D558 F578	F544-F560 HydrophobicContact CD2-CB 3.91Å; F544-F560 HydrophobicContact CE2-CB 3.46Å; F544-F560 VanDerWaalsContact CE2-CB 3.46Å; F544-F560 HydrophobicContact CE2-CG 4.25Å; F544-F560 HydrophobicContact CZ-CB 4.23Å; V545-F560 WeakPolarHBondContact CG2-O 3.4Å; V545-F560 PolarHBondContact N-O 3.5Å; G553-F560 VanDerWaalsContact CA-CZ 3.5Å; D557-F560 HydrophobicContact CB-CD2 3.99Å; D557-F560 HydrophobicContact CB-CE2 4.41Å; D557-F560 PolarHBondContact O-N 2.94Å; D557-F560 VanDerWaalsContact O-N 3.09Å; D558-F560 PolarHBondContact O-N 3.49Å; D558-F560 VanDerWaalsContact O-N 3.16Å; F560-F578 AromaticContact CD1-CE1 3.96Å; F560-F578 HydrophobicContact CD1-CE1 3.96Å; F560-F578 AromaticContact CD1-CZ 3.71Å; F560-F578 HydrophobicContact CD1-CZ 3.71Å; F560-F578 AromaticContact CE1-CE1 3.89Å; F560-F578 HydrophobicContact CE1-CE1 3.89Å; F560-F578 HydrophobicContact CE1-CZ 4.14Å; F560-F578 HydrophobicContact CG-CZ 4.4Å
561	W	92.9	Very high	87.1	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.3	177.1	-67.2	90	0	0	0	111.5	R263 W487 A542 Y543 F544 D555 D558 K559 R577 D590	R263-W561 VanDerWaalsContact CD-CD1 3.44Å; R263-W561 VanDerWaalsContact CD-NE1 3.28Å; W487-W561 HydrophobicContact CH2-CB 3.8Å; W487-W561 HydrophobicContact CH2-CG 4.22Å; W487-W561 HydrophobicContact CZ2-CB 4.09Å; W487-W561 HydrophobicContact CZ2-CD2 4.07Å; W487-W561 HydrophobicContact CZ2-CE3 4.1Å; W487-W561 HydrophobicContact CZ2-CG 4.09Å; A542-W561 HydrophobicContact CB-CE3 4.13Å; Y543-W561 VanDerWaalsContact C-CE3 3.45Å; Y543-W561 WeakPolarHBondContact O-CA 3.49Å; F544-W561 HydrophobicContact CB-CD2 4.17Å; F544-W561 HydrophobicContact CB-CE3 3.97Å; F544-W561 HydrophobicContact CB-CH2 3.67Å; F544-W561 HydrophobicContact CB-CZ2 3.85Å; F544-W561 HydrophobicContact CB-CZ3 3.72Å; F544-W561 HydrophobicContact CD2-CD2 4.22Å; F544-W561 AromaticContact CD2-CE2 3.7Å; F544-W561 AromaticContact CD2-CZ2 3.92Å; F544-W561 HydrophobicContact CD2-CZ2 3.92Å; F544-W561 AromaticContact CD2-NE1 3.75Å; F544-W561 HydrophobicContact CG-CZ2 4.24Å; F544-W561 VanDerWaalsContact N-CE3 3.33Å; D555-W561 PolarHBondContact O-NE1 3.41Å; D558-W561 PolarHBondContact O-N 3.03Å; K559-W561 VanDerWaalsContact C-N 3.32Å; W561-R577 PolarHBondContact O-NH1 2.69Å; W561-D590 HydrophobicContact CH2-CB 4.04Å; W561-D590 HydrophobicContact CZ3-CB 3.67Å
562	V	94.4	Very high	88.1	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.9	173.3	-66.6	0	0	0	0	109.8	A542 Y543 V545 A570 A574	A542-V562 CarbonylContact C-O 3.54Å; A542-V562 WeakPolarHBondContact CA-O 3.11Å; Y543-V562 PolarHBondContact N-O 3.45Å; Y543-V562 PolarHBondContact O-N 3.09Å; V545-V562 HydrophobicContact CG2-CB 4.46Å; V545-V562 HydrophobicContact CG2-CG1 4.06Å; V545-V562 HydrophobicContact CG2-CG2 3.63Å; V562-A570 HydrophobicContact CG2-CB 4.12Å; V562-A574 HydrophobicContact CG1-CB 4.49Å; V562-A574 HydrophobicContact CG2-CB 4.21Å
563	S	95.8	Very high	89	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.028	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	144.8	173.5	57.7	0	0	0	0	111	H256 P541 K573	H256-S563 WeakPolarHBondContact ND1-CB 3.35Å; H256-S563 PolarHBondContact ND1-OG 2.62Å; P541-S563 VanDerWaalsContact O-CA 3.27Å; P541-S563 WeakPolarHBondContact O-CA 3.3Å; S563-K573 VanDerWaalsContact O-CD 3.25Å; S563-K573 WeakPolarHBondContact O-CD 3.47Å; S563-K573 PolarHBondContact O-NZ 2.78Å
564	G	94.2	Very high	89.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.			trans	-156.8	144.6	177.9	0	0	0	0	0	112.1	P541 T566	P541-G564 PolarHBondContact O-N 3.43Å; P541-G564 VanDerWaalsContact O-N 3.07Å; G564-T566 PolarHBondContact O-N 3.46Å
565	R	94	Very high	90.5	Very high	102 Å²	102	50.4 Å²	50.4	39%	0.385	25%	0.247	S	C	.	.	S	Bend	trans	-68.9	-27.8	175.7	-55.3	156.6	176.4	86.1	4.9	110.7	T249 E250 V253 E569	T249-R565 HydrophobicContact CG2-CB 4.35Å; E250-R565 VanDerWaalsContact CD-NH2 3.31Å; E250-R565 IonicContact OE1-CZ 3.97Å; E250-R565 IonicContact OE1-NE 3.88Å; E250-R565 IonicContact OE1-NH2 2.81Å; E250-R565 PolarHBondContact OE1-NH2 2.8Å; E250-R565 IonicContact OE2-CZ 2.82Å; E250-R565 VanDerWaalsContact OE2-CZ 3.31Å; E250-R565 IonicContact OE2-NE 2.69Å; E250-R565 PolarHBondContact OE2-NE 3.1Å; E250-R565 IonicContact OE2-NH2 3.78Å; E250-R565 PolarHBondContact OE2-NH2 3.47Å; E250-R565 VanDerWaalsContact OE2-NH2 3.13Å; V253-R565 HydrophobicContact CG2-CG 4.28Å; R565-E569 WeakPolarHBondContact CA-OE2 3.34Å; R565-E569 WeakPolarHBondContact CB-OE2 3.43Å; R565-E569 WeakPolarHBondContact CD-OE2 3.19Å; R565-E569 VanDerWaalsContact CG-OE2 3.25Å; R565-E569 WeakPolarHBondContact CG-OE2 3.41Å; R565-E569 IonicContact CZ-OE1 2.91Å; R565-E569 PolarHBondContact N-OE2 3.42Å; R565-E569 IonicContact NH1-OE1 3.45Å; R565-E569 PolarHBondContact NH1-OE1 3.48Å; R565-E569 IonicContact NH1-OE2 3.45Å
566	T	94.2	Very high	91.2	Very high	79 Å²	79	53.7 Å²	53.7	49%	0.485	26%	0.263	S	S	.	.	S	Bend	trans	-133.7	161.1	172.3	63	0	0	0	0	109.7	G564 E568 E569 A570	G564-T566 PolarHBondContact O-N 3.46Å; T566-E568 VanDerWaalsContact C-N 3.27Å; T566-E568 PolarHBondContact O-N 3.42Å; T566-E569 PolarHBondContact O-N 3.45Å; T566-E569 WeakPolarHBondContact OG1-CB 3.29Å; T566-E569 PolarHBondContact OG1-N 3.32Å; T566-A570 PolarHBondContact O-N 3.11Å; T566-A570 VanDerWaalsContact O-N 3.11Å
567	E	92.9	Very high	91.6	Very high	117 Å²	117	57.1 Å²	57.1	55%	0.547	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-36.3	174.7	-172.5	172.5	177	0	0	111.8	Y543 A570 L571 L587	Y543-E567 HydrophobicContact CD1-CG 4.42Å; Y543-E567 HydrophobicContact CE1-CB 4.04Å; Y543-E567 HydrophobicContact CE1-CG 4.01Å; E567-A570 WeakPolarHBondContact O-CB 3.39Å; E567-A570 PolarHBondContact O-N 3.46Å; E567-L571 WeakPolarHBondContact O-CB 3.37Å; E567-L571 PolarHBondContact O-N 2.9Å; E567-L587 HydrophobicContact CG-CD1 4.08Å
568	E	93.8	Very high	92	Very high	104 Å²	104	56 Å²	56	49%	0.486	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-41.8	177.1	-176.7	56.6	-145.3	0	0	112.3	T566 A570 L571 Q572 K582	T566-E568 VanDerWaalsContact C-N 3.27Å; T566-E568 PolarHBondContact O-N 3.42Å; E568-A570 VanDerWaalsContact C-N 3.35Å; E568-L571 PolarHBondContact O-N 3.05Å; E568-Q572 PolarHBondContact O-N 3.24Å; E568-K582 IonicContact OE1-NZ 3.38Å; E568-K582 PolarHBondContact OE1-NZ 2.99Å
569	E	94.9	Very high	92.3	Very high	38 Å²	38	61 Å²	61	18%	0.178	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-42.3	174.9	-172.2	-164.8	161.8	0	0	111.2	R565 T566 L571 Q572 K573	R565-E569 WeakPolarHBondContact CA-OE2 3.34Å; R565-E569 WeakPolarHBondContact CB-OE2 3.43Å; R565-E569 WeakPolarHBondContact CD-OE2 3.19Å; R565-E569 VanDerWaalsContact CG-OE2 3.25Å; R565-E569 WeakPolarHBondContact CG-OE2 3.41Å; R565-E569 IonicContact CZ-OE1 2.91Å; R565-E569 PolarHBondContact N-OE2 3.42Å; R565-E569 IonicContact NH1-OE1 3.45Å; R565-E569 PolarHBondContact NH1-OE1 3.48Å; R565-E569 IonicContact NH1-OE2 3.45Å; T566-E569 PolarHBondContact O-N 3.45Å; T566-E569 WeakPolarHBondContact OG1-CB 3.29Å; T566-E569 PolarHBondContact OG1-N 3.32Å; E569-L571 VanDerWaalsContact C-N 3.31Å; E569-L571 PolarHBondContact O-N 3.29Å; E569-Q572 PolarHBondContact O-N 2.69Å; E569-K573 WeakPolarHBondContact O-CG 3.36Å; E569-K573 PolarHBondContact O-N 2.98Å; E569-K573 WeakPolarHBondContact OE1-CE 3.42Å; E569-K573 IonicContact OE1-NZ 3.08Å; E569-K573 PolarHBondContact OE1-NZ 2.95Å
570	A	93.7	Very high	92.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-40.6	175.3	0	0	0	0	0	111.4	Y543 V562 T566 E567 E568 K573 A574 L587	Y543-A570 HydrophobicContact CD2-CB 3.33Å; Y543-A570 HydrophobicContact CE2-CB 3.74Å; Y543-A570 HydrophobicContact CG-CB 3.81Å; V562-A570 HydrophobicContact CG2-CB 4.12Å; T566-A570 PolarHBondContact O-N 3.11Å; T566-A570 VanDerWaalsContact O-N 3.11Å; E567-A570 WeakPolarHBondContact O-CB 3.39Å; E567-A570 PolarHBondContact O-N 3.46Å; E568-A570 VanDerWaalsContact C-N 3.35Å; A570-K573 PolarHBondContact O-N 2.99Å; A570-A574 WeakPolarHBondContact O-CB 3.46Å; A570-A574 PolarHBondContact O-N 3.35Å; A570-L587 HydrophobicContact CB-CD1 3.94Å
571	L	93.9	Very high	92.4	Very high	31 Å²	31	57.6 Å²	57.6	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-41.9	178.1	-175.4	62.7	0	0	0	111.6	E567 E568 E569 A574 S575 K582 I585 L587	E567-L571 WeakPolarHBondContact O-CB 3.37Å; E567-L571 PolarHBondContact O-N 2.9Å; E568-L571 PolarHBondContact O-N 3.05Å; E569-L571 VanDerWaalsContact C-N 3.31Å; E569-L571 PolarHBondContact O-N 3.29Å; L571-A574 PolarHBondContact O-N 2.84Å; L571-S575 WeakPolarHBondContact O-CB 3.33Å; L571-S575 PolarHBondContact O-N 2.79Å; L571-K582 HydrophobicContact CD2-CB 4.1Å; L571-K582 HydrophobicContact CD2-CD 4.17Å; L571-K582 HydrophobicContact CD2-CG 4.35Å; L571-K582 HydrophobicContact CG-CB 4.14Å; L571-K582 HydrophobicContact CG-CD 4.21Å; L571-K582 HydrophobicContact CG-CG 4.08Å; L571-I585 HydrophobicContact CD1-CB 3.81Å; L571-I585 HydrophobicContact CD1-CG2 3.59Å; L571-L587 HydrophobicContact CB-CD1 3.82Å; L571-L587 HydrophobicContact CD1-CD1 4.24Å; L571-L587 HydrophobicContact CD1-CG 4.22Å
572	Q	93.7	Very high	92.3	Very high	103 Å²	103	60.8 Å²	60.8	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-62.4	-45.4	174.3	-174	174.7	-1.1	0	0	111.9	E568 E569 A574 S575 I576	E568-Q572 PolarHBondContact O-N 3.24Å; E569-Q572 PolarHBondContact O-N 2.69Å; Q572-A574 VanDerWaalsContact C-N 3.34Å; Q572-A574 PolarHBondContact O-N 3.38Å; Q572-S575 PolarHBondContact O-N 2.69Å; Q572-I576 HydrophobicContact CG-CD1 4.22Å; Q572-I576 WeakPolarHBondContact O-CG1 3.42Å; Q572-I576 PolarHBondContact O-N 3.05Å; Q572-I576 VanDerWaalsContact O-N 3.09Å
573	K	92.9	Very high	92	Very high	49 Å²	49	68.3 Å²	68.3	21%	0.213	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-41	175.8	-73.1	174.1	-176.9	171.3	0	112.2	E257 S563 E569 A570 I576 R577	E257-K573 VanDerWaalsContact OE1-CE 3.31Å; E257-K573 WeakPolarHBondContact OE1-CE 3.49Å; E257-K573 IonicContact OE1-NZ 3.59Å; E257-K573 PolarHBondContact OE1-NZ 2.79Å; S563-K573 VanDerWaalsContact O-CD 3.25Å; S563-K573 WeakPolarHBondContact O-CD 3.47Å; S563-K573 PolarHBondContact O-NZ 2.78Å; E569-K573 WeakPolarHBondContact O-CG 3.36Å; E569-K573 PolarHBondContact O-N 2.98Å; E569-K573 WeakPolarHBondContact OE1-CE 3.42Å; E569-K573 IonicContact OE1-NZ 3.08Å; E569-K573 PolarHBondContact OE1-NZ 2.95Å; A570-K573 PolarHBondContact O-N 2.99Å; K573-I576 PolarHBondContact O-N 3.41Å; K573-R577 VanDerWaalsContact O-CB 3.29Å; K573-R577 WeakPolarHBondContact O-CB 3.32Å; K573-R577 PolarHBondContact O-N 3.49Å
574	A	91.4	Very high	91.8	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-46.1	175.7	0	0	0	0	0	111.6	V545 V562 A570 L571 Q572 I576 R577 F578 I585 L587	V545-A574 HydrophobicContact CB-CB 4.46Å; V545-A574 HydrophobicContact CG1-CB 3.88Å; V545-A574 HydrophobicContact CG2-CB 3.65Å; V562-A574 HydrophobicContact CG1-CB 4.49Å; V562-A574 HydrophobicContact CG2-CB 4.21Å; A570-A574 WeakPolarHBondContact O-CB 3.46Å; A570-A574 PolarHBondContact O-N 3.35Å; L571-A574 PolarHBondContact O-N 2.84Å; Q572-A574 VanDerWaalsContact C-N 3.34Å; Q572-A574 PolarHBondContact O-N 3.38Å; A574-I576 VanDerWaalsContact C-N 3.33Å; A574-I576 PolarHBondContact O-N 3.11Å; A574-R577 PolarHBondContact O-N 3.22Å; A574-F578 WeakPolarHBondContact O-CD2 3.38Å; A574-F578 PolarHBondContact O-N 2.88Å; A574-I585 HydrophobicContact CB-CD1 4.19Å; A574-I585 HydrophobicContact CB-CG2 4.13Å; A574-L587 HydrophobicContact CB-CD2 4.26Å
575	S	91.6	Very high	91.6	Very high	25 Å²	25	72.5 Å²	72.5	18%	0.175	35%	0.354	C	S	.	.	H	α-helix	trans	-57.9	-44.7	177.8	178.2	0	0	0	0	112	L571 Q572 N579 V580 I585	L571-S575 WeakPolarHBondContact O-CB 3.33Å; L571-S575 PolarHBondContact O-N 2.79Å; Q572-S575 PolarHBondContact O-N 2.69Å; S575-N579 VanDerWaalsContact O-CA 3.25Å; S575-N579 WeakPolarHBondContact O-CA 3.23Å; S575-N579 PolarHBondContact O-N 3.34Å; S575-V580 WeakPolarHBondContact CA-O 3.24Å; S575-V580 WeakPolarHBondContact CB-O 3.13Å; S575-V580 PolarHBondContact O-N 3.49Å; S575-V580 PolarHBondContact OG-O 3.03Å; S575-I585 VanDerWaalsContact CA-CD1 3.44Å
576	I	91.7	Very high	91.5	Very high	127 Å²	127	70.7 Å²	70.7	65%	0.651	36%	0.357	S	S	*	.	H	α-helix	trans	-66.2	-46.7	176.4	-65.3	166	0	0	0	111	Q572 K573 A574 F578 N579	Q572-I576 HydrophobicContact CG-CD1 4.22Å; Q572-I576 WeakPolarHBondContact O-CG1 3.42Å; Q572-I576 PolarHBondContact O-N 3.05Å; Q572-I576 VanDerWaalsContact O-N 3.09Å; K573-I576 PolarHBondContact O-N 3.41Å; A574-I576 VanDerWaalsContact C-N 3.33Å; A574-I576 PolarHBondContact O-N 3.11Å; I576-F578 PolarHBondContact O-N 3.06Å; I576-N579 PolarHBondContact O-N 3.2Å
577	R	89.1	Confident	91.4	Very high	131 Å²	131	68.5 Å²	68.5	49%	0.494	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-41	-175.6	-179.8	176.1	-77.3	-176.1	-1.4	112.9	W561 K573 A574	W561-R577 PolarHBondContact O-NH1 2.69Å; K573-R577 VanDerWaalsContact O-CB 3.29Å; K573-R577 WeakPolarHBondContact O-CB 3.32Å; K573-R577 PolarHBondContact O-N 3.49Å; A574-R577 PolarHBondContact O-N 3.22Å
578	F	88.5	Confident	91.5	Very high	45 Å²	45	67.8 Å²	67.8	20%	0.197	34%	0.335	C	S	.	.	H	α-helix	trans	-94.1	-6.3	-179.5	-69.1	-80.7	0	0	0	113.3	V545 V547 F560 A574 I576 V580	V545-F578 HydrophobicContact CB-CD2 4.39Å; V545-F578 HydrophobicContact CB-CE2 3.79Å; V545-F578 HydrophobicContact CB-CZ 4.47Å; V545-F578 HydrophobicContact CG1-CD2 3.77Å; V545-F578 HydrophobicContact CG1-CE2 3.68Å; V545-F578 HydrophobicContact CG2-CE2 4.05Å; V547-F578 HydrophobicContact CG2-CB 4.15Å; V547-F578 HydrophobicContact CG2-CD1 4.25Å; V547-F578 HydrophobicContact CG2-CD2 4.44Å; V547-F578 HydrophobicContact CG2-CG 4.02Å; F560-F578 AromaticContact CD1-CE1 3.96Å; F560-F578 HydrophobicContact CD1-CE1 3.96Å; F560-F578 AromaticContact CD1-CZ 3.71Å; F560-F578 HydrophobicContact CD1-CZ 3.71Å; F560-F578 AromaticContact CE1-CE1 3.89Å; F560-F578 HydrophobicContact CE1-CE1 3.89Å; F560-F578 HydrophobicContact CE1-CZ 4.14Å; F560-F578 HydrophobicContact CG-CZ 4.4Å; A574-F578 WeakPolarHBondContact O-CD2 3.38Å; A574-F578 PolarHBondContact O-N 2.88Å; I576-F578 PolarHBondContact O-N 3.06Å; F578-V580 VanDerWaalsContact C-N 3.33Å; F578-V580 HydrophobicContact CB-CG2 4.07Å; F578-V580 VanDerWaalsContact O-CG2 3.27Å; F578-V580 WeakPolarHBondContact O-CG2 3.39Å; F578-V580 PolarHBondContact O-N 3.23Å
579	N	89.7	Confident	91.5	Very high	152 Å²	152	65 Å²	65	81%	0.813	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	46.1	-176.5	-166.1	42.9	0	0	0	112.6	S575 I576	S575-N579 VanDerWaalsContact O-CA 3.25Å; S575-N579 WeakPolarHBondContact O-CA 3.23Å; S575-N579 PolarHBondContact O-N 3.34Å; I576-N579 PolarHBondContact O-N 3.2Å
580	V	89.4	Confident	91.5	Very high	29 Å²	29	63.6 Å²	63.6	18%	0.176	32%	0.315	C	S	.	.			trans	-130	142.4	-178.5	-167.9	0	0	0	0	109.7	V547 S575 F578 N584 I585	V547-V580 HydrophobicContact CG1-CB 4.35Å; V547-V580 HydrophobicContact CG1-CG1 4.11Å; V547-V580 HydrophobicContact CG1-CG2 3.86Å; S575-V580 WeakPolarHBondContact CA-O 3.24Å; S575-V580 WeakPolarHBondContact CB-O 3.13Å; S575-V580 PolarHBondContact O-N 3.49Å; S575-V580 PolarHBondContact OG-O 3.03Å; F578-V580 VanDerWaalsContact C-N 3.33Å; F578-V580 HydrophobicContact CB-CG2 4.07Å; F578-V580 VanDerWaalsContact O-CG2 3.27Å; F578-V580 WeakPolarHBondContact O-CG2 3.39Å; F578-V580 PolarHBondContact O-N 3.23Å; V580-N584 HydrophobicContact CG1-CB 3.65Å; V580-I585 HydrophobicContact CB-CD1 4.44Å
581	P	88.1	Confident	91.4	Very high	71 Å²	71	69 Å²	69	46%	0.461	34%	0.341	S	S	.	.			trans	-54.7	147.4	173.5	-25.1	33.7	0	0	0	112.7	E583 N584	P581-E583 WeakPolarHBondContact CB-OE2 3.41Å; P581-E583 PolarHBondContact O-N 3.09Å; P581-N584 PolarHBondContact O-N 3.08Å; P581-N584 VanDerWaalsContact O-N 3.12Å
582	K	89.6	Confident	91.4	Very high	68 Å²	68	68.5 Å²	68.5	30%	0.296	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-57	-32.3	-177.6	-68.4	-176.1	176.1	-176.2	0	112.5	E568 L571 N584 I585	E568-K582 IonicContact OE1-NZ 3.38Å; E568-K582 PolarHBondContact OE1-NZ 2.99Å; L571-K582 HydrophobicContact CD2-CB 4.1Å; L571-K582 HydrophobicContact CD2-CD 4.17Å; L571-K582 HydrophobicContact CD2-CG 4.35Å; L571-K582 HydrophobicContact CG-CB 4.14Å; L571-K582 HydrophobicContact CG-CD 4.21Å; L571-K582 HydrophobicContact CG-CG 4.08Å; K582-N584 PolarHBondContact O-N 2.77Å; K582-I585 PolarHBondContact O-N 2.97Å; K582-I585 VanDerWaalsContact O-N 3.15Å
583	E	89.7	Confident	91.4	Very high	159 Å²	159	63.6 Å²	63.6	74%	0.743	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.3	-177.7	-50.2	83.5	-154.7	0	0	113.4	P581	P581-E583 WeakPolarHBondContact CB-OE2 3.41Å; P581-E583 PolarHBondContact O-N 3.09Å
584	N	89.9	Confident	91.5	Very high	75 Å²	75	61.4 Å²	61.4	40%	0.401	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-96	6.5	-179.8	-68.8	-15.7	0	0	0	112.7	A548 V580 P581 K582	A548-N584 HydrophobicContact CB-CB 4.25Å; A548-N584 PolarHBondContact N-O 3.29Å; V580-N584 HydrophobicContact CG1-CB 3.65Å; P581-N584 PolarHBondContact O-N 3.08Å; P581-N584 VanDerWaalsContact O-N 3.12Å; K582-N584 PolarHBondContact O-N 2.77Å
585	I	90.8	Very high	91.4	Very high	17 Å²	17	61.7 Å²	61.7	9%	0.087	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.9	-179	-67.8	164.4	0	0	0	109.2	V545 V547 L571 A574 S575 V580 K582 L587	V545-I585 HydrophobicContact CG1-CG2 3.76Å; V547-I585 HydrophobicContact CG2-CG1 4.41Å; L571-I585 HydrophobicContact CD1-CB 3.81Å; L571-I585 HydrophobicContact CD1-CG2 3.59Å; A574-I585 HydrophobicContact CB-CD1 4.19Å; A574-I585 HydrophobicContact CB-CG2 4.13Å; S575-I585 VanDerWaalsContact CA-CD1 3.44Å; V580-I585 HydrophobicContact CB-CD1 4.44Å; K582-I585 PolarHBondContact O-N 2.97Å; K582-I585 VanDerWaalsContact O-N 3.15Å; I585-L587 HydrophobicContact CG2-CD2 3.92Å; I585-L587 HydrophobicContact CG2-CG 4.35Å
586	S	92.2	Very high	91.3	Very high	65 Å²	65	61 Å²	61	46%	0.455	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.5	166.8	55.1	0	0	0	0	109.6	T546	T546-S586 WeakPolarHBondContact CB-OG 3.43Å; T546-S586 PolarHBondContact N-O 2.87Å; T546-S586 PolarHBondContact O-N 3.06Å; T546-S586 PolarHBondContact O-OG 3.21Å
587	L	93.1	Very high	91.3	Very high	33 Å²	33	56.6 Å²	56.6	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.3	179.7	-63.9	-175.4	0	0	0	110.8	Y543 F544 V545 E567 A570 L571 A574 I585	Y543-L587 HydrophobicContact CD1-CB 4.28Å; Y543-L587 HydrophobicContact CD1-CD1 4.39Å; Y543-L587 HydrophobicContact CG-CD1 4.44Å; F544-L587 WeakPolarHBondContact O-CA 3.22Å; V545-L587 HydrophobicContact CB-CD2 4.38Å; V545-L587 HydrophobicContact CG2-CD2 3.82Å; E567-L587 HydrophobicContact CG-CD1 4.08Å; A570-L587 HydrophobicContact CB-CD1 3.94Å; L571-L587 HydrophobicContact CB-CD1 3.82Å; L571-L587 HydrophobicContact CD1-CD1 4.24Å; L571-L587 HydrophobicContact CD1-CG 4.22Å; A574-L587 HydrophobicContact CB-CD2 4.26Å; I585-L587 HydrophobicContact CG2-CD2 3.92Å; I585-L587 HydrophobicContact CG2-CG 4.35Å
588	R	93.4	Very high	91.5	Very high	102 Å²	102	50.4 Å²	50.4	39%	0.385	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.5	167.9	-179	178	61.2	93.4	3.4	109.3	Y543 F544 D555	Y543-R588 WeakPolarHBondContact CA-O 3.37Å; F544-R588 PolarHBondContact N-O 2.8Å; F544-R588 PolarHBondContact O-N 2.65Å; D555-R588 IonicContact OD1-NH2 2.65Å; D555-R588 PolarHBondContact OD1-NH2 3.35Å; D555-R588 IonicContact OD2-CZ 3.77Å; D555-R588 IonicContact OD2-NH2 3.78Å; D555-R588 PolarHBondContact OD2-NH2 3.08Å
589	Q	94.9	Very high	91.8	Very high	45 Å²	45	48.3 Å²	48.3	21%	0.21	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.2	176.3	-170.1	-176.1	15.4	0	0	110.7	R539 I540 A542 Y543 E591	R539-Q589 PolarHBondContact NH2-O 3.18Å; I540-Q589 WeakPolarHBondContact O-CG 3.45Å; I540-Q589 PolarHBondContact O-NE2 3.35Å; A542-Q589 CarbonylContact O-C 3.52Å; A542-Q589 WeakPolarHBondContact O-CA 3.47Å; Y543-Q589 HydrophobicContact CD1-CB 3.75Å; Y543-Q589 HydrophobicContact CD1-CG 4.25Å; Y543-Q589 HydrophobicContact CE1-CB 3.67Å; Y543-Q589 HydrophobicContact CE1-CG 3.95Å; Q589-E591 PolarHBondContact O-N 3.24Å
590	D	93.9	Very high	92	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.043	21%	0.207	C	C	.	.			trans	-52.9	135.4	173.9	-156	-30.6	0	0	0	110.3	R263 W487 R539 I540 A542 W561 D592	R263-D590 IonicContact CZ-OD2 3.04Å; R263-D590 IonicContact NH1-OD2 3.73Å; R263-D590 PolarHBondContact NH1-OD2 3.27Å; R263-D590 IonicContact NH2-OD2 2.85Å; W487-D590 PolarHBondContact NE1-OD2 3.5Å; R539-D590 WeakPolarHBondContact CG-O 3.5Å; R539-D590 PolarHBondContact NE-O 2.95Å; R539-D590 PolarHBondContact NH2-O 2.88Å; I540-D590 HydrophobicContact CB-CB 4.19Å; I540-D590 HydrophobicContact CG2-CB 4.32Å; A542-D590 PolarHBondContact O-N 3.3Å; W561-D590 HydrophobicContact CH2-CB 4.04Å; W561-D590 HydrophobicContact CZ3-CB 3.67Å; D590-D592 VanDerWaalsContact C-N 3.32Å; D590-D592 WeakPolarHBondContact OD1-CB 3.43Å; D590-D592 PolarHBondContact OD1-N 2.97Å; D590-D592 VanDerWaalsContact OD1-N 3.13Å
591	E	92.3	Very high	92.2	Very high	115 Å²	115	39.8 Å²	39.8	54%	0.537	20%	0.198	S	C	.	.			trans	-81.8	-19.8	-179.4	-66.1	-163.9	177.9	0	0	112.5	R202 Q589	R202-E591 PolarHBondContact NH2-O 3.04Å; Q589-E591 PolarHBondContact O-N 3.24Å
592	D	93.5	Very high	92.6	Very high	19 Å²	19	36.4 Å²	36.4	10%	0.102	18%	0.176	C	C	.	.			trans	-61.6	152.1	178.3	-78.4	-7.1	0	0	0	111.8	Q533 I540 D590	Q533-D592 WeakPolarHBondContact CG-OD1 3.19Å; Q533-D592 VanDerWaalsContact NE2-CG 3.27Å; Q533-D592 PolarHBondContact NE2-OD1 3Å; Q533-D592 VanDerWaalsContact NE2-OD1 3.14Å; Q533-D592 PolarHBondContact NE2-OD2 3.47Å; I540-D592 HydrophobicContact CD1-CB 3.76Å; I540-D592 HydrophobicContact CG1-CB 4.48Å; I540-D592 PolarHBondContact N-O 3.48Å; D590-D592 VanDerWaalsContact C-N 3.32Å; D590-D592 WeakPolarHBondContact OD1-CB 3.43Å; D590-D592 PolarHBondContact OD1-N 2.97Å; D590-D592 VanDerWaalsContact OD1-N 3.13Å
593	V	94.1	Very high	92.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	158.2	169.7	-57.8	0	0	0	0	110.5	S531 R532 L534 H538	S531-V593 CarbonylContact C-O 3.49Å; R532-V593 HydrophobicContact CB-CG2 4.16Å; R532-V593 PolarHBondContact N-O 3.42Å; R532-V593 WeakPolarHBondContact O-CG2 3.27Å; R532-V593 PolarHBondContact O-N 3.11Å; L534-V593 HydrophobicContact CB-CG2 3.65Å; L534-V593 HydrophobicContact CD1-CG2 4.32Å; L534-V593 HydrophobicContact CG-CG2 4.41Å; H538-V593 CarbonylContact O-C 3.44Å; H538-V593 WeakPolarHBondContact O-CA 3.48Å; H538-V593 WeakPolarHBondContact O-CB 3.37Å
594	L	94.1	Very high	93.2	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	146.1	174.8	-68.7	166	0	0	0	111.1	V248 F252 I530 H538 I540 T596 F598	V248-L594 HydrophobicContact CG1-CD1 3.38Å; F252-L594 HydrophobicContact CD2-CD1 4.36Å; F252-L594 HydrophobicContact CD2-CD2 3.82Å; F252-L594 HydrophobicContact CE2-CD2 4.02Å; I530-L594 HydrophobicContact CB-CD2 4.36Å; I530-L594 HydrophobicContact CD1-CD2 3.92Å; I530-L594 HydrophobicContact CG1-CD2 4.35Å; I530-L594 CarbonylContact O-C 3.47Å; I530-L594 WeakPolarHBondContact O-CA 3.4Å; H538-L594 HydrophobicContact CB-CB 4.38Å; H538-L594 HydrophobicContact CB-CD1 4.17Å; H538-L594 PolarHBondContact O-N 3.05Å; I540-L594 HydrophobicContact CD1-CD2 4.22Å; I540-L594 HydrophobicContact CG1-CD2 3.78Å; I540-L594 HydrophobicContact CG1-CG 3.81Å; L594-T596 PolarHBondContact O-N 2.96Å; L594-F598 HydrophobicContact CB-CB 4.42Å; L594-F598 HydrophobicContact CB-CD1 4.45Å; L594-F598 HydrophobicContact CD1-CD1 3.76Å; L594-F598 HydrophobicContact CD1-CE1 3.99Å; L594-F598 HydrophobicContact CD2-CD1 4.31Å; L594-F598 HydrophobicContact CD2-CG 4.49Å; L594-F598 HydrophobicContact CG-CD1 4.4Å
595	D	90.2	Very high	93.4	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.027	11%	0.109	C	C	.	.			trans	-51.5	135.7	167.1	-173.5	8.8	0	0	0	109.7	W528 I530 R532 W597 F598	W528-D595 HydrophobicContact CZ2-CB 4.37Å; W528-D595 PolarHBondContact NE1-OD2 3.2Å; I530-D595 PolarHBondContact O-N 3.28Å; R532-D595 HydrophobicContact CG-CB 4.41Å; R532-D595 IonicContact CZ-OD2 2.78Å; R532-D595 IonicContact NH2-OD1 2.74Å; R532-D595 IonicContact NH2-OD2 2.59Å; R532-D595 PolarHBondContact NH2-OD2 3.39Å; D595-W597 PolarHBondContact O-N 2.95Å; D595-F598 WeakPolarHBondContact O-CB 3.26Å; D595-F598 PolarHBondContact O-N 3.47Å
596	T	89.8	Confident	93.6	Very high	12 Å²	12	21.4 Å²	21.4	7%	0.074	11%	0.105	C	C	.	.	H	α-helix	trans	-53	-42.7	179.2	-63.3	0	0	0	0	110.6	D175 H176 G178 L594 F598 S599 S600	D175-T596 VanDerWaalsContact OD2-CG2 3.27Å; D175-T596 WeakPolarHBondContact OD2-CG2 3.41Å; H176-T596 PolarHBondContact NE2-OG1 3.45Å; G178-T596 VanDerWaalsContact CA-OG1 3.29Å; G178-T596 WeakPolarHBondContact CA-OG1 3.42Å; G178-T596 PolarHBondContact N-OG1 3.18Å; L594-T596 PolarHBondContact O-N 2.96Å; T596-F598 PolarHBondContact O-N 3Å; T596-F598 VanDerWaalsContact O-N 3.09Å; T596-S599 PolarHBondContact O-N 3.47Å; T596-S599 PolarHBondContact O-OG 2.85Å; T596-S600 PolarHBondContact O-N 2.81Å; T596-S600 PolarHBondContact O-OG 3.06Å
597	W	90.7	Very high	93.7	Very high	34 Å²	34	18.5 Å²	18.5	13%	0.129	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-20	179.4	-57.9	111	0	0	0	114.1	W528 D595 G601 I632 F635 W636	W528-W597 HydrophobicContact CH2-CB 4.48Å; W528-W597 HydrophobicContact CZ2-CB 3.86Å; D595-W597 PolarHBondContact O-N 2.95Å; W597-G601 WeakPolarHBondContact O-CA 3.4Å; W597-G601 PolarHBondContact O-N 3.45Å; W597-I632 HydrophobicContact CH2-CG2 4.17Å; W597-F635 HydrophobicContact CD2-CB 3.93Å; W597-F635 AromaticContact CE2-CD1 3.8Å; W597-F635 HydrophobicContact CE3-CB 3.9Å; W597-F635 VanDerWaalsContact CE3-O 3.22Å; W597-F635 HydrophobicContact CH2-CB 3.67Å; W597-F635 HydrophobicContact CH2-CG 4.33Å; W597-F635 HydrophobicContact CZ2-CB 3.68Å; W597-F635 AromaticContact CZ2-CD1 3.85Å; W597-F635 HydrophobicContact CZ2-CD1 3.85Å; W597-F635 AromaticContact CZ2-CG 3.98Å; W597-F635 HydrophobicContact CZ2-CG 3.98Å; W597-F635 HydrophobicContact CZ3-CB 3.79Å; W597-F635 AromaticContact NE1-CD1 3.83Å; W597-W636 HydrophobicContact CE3-CB 4.09Å; W597-W636 HydrophobicContact CE3-CG 4.4Å; W597-W636 HydrophobicContact CZ3-CB 3.78Å; W597-W636 HydrophobicContact CZ3-CG 4.14Å
598	F	94.5	Very high	93.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.1	-50.3	171.2	-168.5	-94.4	0	0	0	111	V248 A251 F252 M255 I261 V489 W528 I530 L594 D595 T596 G601 L602 L643	V248-F598 HydrophobicContact CG1-CD1 4.12Å; V248-F598 HydrophobicContact CG1-CE1 4.15Å; A251-F598 HydrophobicContact CB-CE1 4.29Å; A251-F598 HydrophobicContact CB-CZ 4.22Å; F252-F598 HydrophobicContact CB-CE1 4.49Å; M255-F598 HydrophobicContact SD-CE2 4.43Å; M255-F598 HydrophobicContact SD-CZ 4.46Å; I261-F598 HydrophobicContact CD1-CE2 4.13Å; I261-F598 HydrophobicContact CD1-CZ 4.1Å; V489-F598 HydrophobicContact CG2-CE2 4.43Å; W528-F598 VanDerWaalsContact CH2-CA 3.48Å; W528-F598 HydrophobicContact CH2-CB 3.86Å; W528-F598 AromaticContact CH2-CD2 3.85Å; W528-F598 HydrophobicContact CH2-CD2 3.85Å; W528-F598 HydrophobicContact CH2-CG 4.33Å; W528-F598 HydrophobicContact CZ2-CB 4.05Å; W528-F598 AromaticContact CZ3-CD2 3.94Å; W528-F598 HydrophobicContact CZ3-CD2 3.94Å; I530-F598 HydrophobicContact CD1-CE2 4.45Å; I530-F598 HydrophobicContact CG2-CD2 4.04Å; L594-F598 HydrophobicContact CB-CB 4.42Å; L594-F598 HydrophobicContact CB-CD1 4.45Å; L594-F598 HydrophobicContact CD1-CD1 3.76Å; L594-F598 HydrophobicContact CD1-CE1 3.99Å; L594-F598 HydrophobicContact CD2-CD1 4.31Å; L594-F598 HydrophobicContact CD2-CG 4.49Å; L594-F598 HydrophobicContact CG-CD1 4.4Å; D595-F598 WeakPolarHBondContact O-CB 3.26Å; D595-F598 PolarHBondContact O-N 3.47Å; T596-F598 PolarHBondContact O-N 3Å; T596-F598 VanDerWaalsContact O-N 3.09Å; F598-G601 PolarHBondContact O-N 3.03Å; F598-L602 HydrophobicContact CE1-CD1 4.43Å; F598-L602 WeakPolarHBondContact O-CG 3.41Å; F598-L643 HydrophobicContact CE2-CD2 4.21Å
599	S	94.4	Very high	93.8	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-66.2	-44.6	175.2	63	0	0	0	0	112.6	H176 H538 T596 G601 L602	H176-S599 PolarHBondContact CE1-OG 2.98Å; H176-S599 VanDerWaalsContact CE1-OG 3.25Å; H538-S599 WeakPolarHBondContact NE2-CB 3.47Å; T596-S599 PolarHBondContact O-N 3.47Å; T596-S599 PolarHBondContact O-OG 2.85Å; S599-G601 VanDerWaalsContact C-N 3.27Å; S599-G601 PolarHBondContact O-N 2.86Å; S599-L602 PolarHBondContact O-N 2.96Å
600	S	93	Very high	93.8	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-67.9	-29.5	-178.8	-36.6	0	0	0	0	111.3	D175 T596 L602 F603 W636	D175-S600 PolarHBondContact OD2-OG 2.91Å; T596-S600 PolarHBondContact O-N 2.81Å; T596-S600 PolarHBondContact O-OG 3.06Å; S600-L602 PolarHBondContact O-N 2.64Å; S600-F603 WeakPolarHBondContact O-CB 3.27Å; S600-F603 PolarHBondContact O-N 3.05Å; S600-W636 PolarHBondContact O-NE1 2.9Å
601	G	94.7	Very high	93.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.7	-21.4	173.3	0	0	0	0	0	114.1	W597 F598 S599 M640	W597-G601 WeakPolarHBondContact O-CA 3.4Å; W597-G601 PolarHBondContact O-N 3.45Å; F598-G601 PolarHBondContact O-N 3.03Å; S599-G601 VanDerWaalsContact C-N 3.27Å; S599-G601 PolarHBondContact O-N 2.86Å; G601-M640 WeakPolarHBondContact O-CA 3.36Å; G601-M640 WeakPolarHBondContact O-CG 3.38Å
602	L	96.6	Very high	93.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.8	174.9	-58.5	174.9	0	0	0	112.8	V248 A251 F598 S599 S600 F605 S606 L643 L647	V248-L602 HydrophobicContact CB-CD1 4.26Å; V248-L602 HydrophobicContact CG2-CD1 3.77Å; A251-L602 HydrophobicContact CB-CD1 3.71Å; A251-L602 HydrophobicContact CB-CD2 3.92Å; A251-L602 HydrophobicContact CB-CG 4.49Å; F598-L602 HydrophobicContact CE1-CD1 4.43Å; F598-L602 WeakPolarHBondContact O-CG 3.41Å; S599-L602 PolarHBondContact O-N 2.96Å; S600-L602 PolarHBondContact O-N 2.64Å; L602-F605 HydrophobicContact CB-CE2 4.47Å; L602-F605 HydrophobicContact CB-CZ 4.19Å; L602-F605 HydrophobicContact CD2-CE1 4.3Å; L602-F605 HydrophobicContact CD2-CE2 3.91Å; L602-F605 HydrophobicContact CD2-CZ 3.38Å; L602-F605 HydrophobicContact CG-CZ 4.39Å; L602-F605 PolarHBondContact O-N 3.44Å; L602-S606 VanDerWaalsContact O-CB 3.3Å; L602-S606 WeakPolarHBondContact O-CB 3.11Å; L602-S606 PolarHBondContact O-N 2.9Å; L602-S606 PolarHBondContact O-OG 3.23Å; L602-L643 HydrophobicContact CD2-CB 3.91Å; L602-L643 HydrophobicContact CD2-CD1 3.81Å; L602-L643 HydrophobicContact CD2-CG 4.35Å; L602-L643 HydrophobicContact CG-CD1 4.15Å; L602-L647 HydrophobicContact CD2-CD1 3.54Å
603	F	95.3	Very high	93.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-48.5	-43.9	-173.2	-160.3	-106.7	0	0	0	115.1	V133 I134 P136 C237 T239 M244 S600 F605 S606 I607 W636	V133-F603 HydrophobicContact CB-CD1 4.21Å; V133-F603 HydrophobicContact CB-CE1 4.13Å; V133-F603 HydrophobicContact CG2-CD1 4.22Å; I134-F603 WeakPolarHBondContact O-CE1 3.22Å; P136-F603 HydrophobicContact CB-CE1 4.38Å; P136-F603 HydrophobicContact CB-CE2 4.2Å; P136-F603 HydrophobicContact CB-CZ 4.02Å; P136-F603 HydrophobicContact CG-CD1 4.38Å; P136-F603 HydrophobicContact CG-CD2 4.39Å; P136-F603 HydrophobicContact CG-CE1 4.31Å; P136-F603 HydrophobicContact CG-CE2 4.33Å; P136-F603 HydrophobicContact CG-CG 4.42Å; P136-F603 HydrophobicContact CG-CZ 4.3Å; C237-F603 HydrophobicContact CB-CE2 4.43Å; T239-F603 HydrophobicContact CG2-CD2 4.15Å; T239-F603 HydrophobicContact CG2-CE2 4.42Å; M244-F603 HydrophobicContact CE-CD2 3.86Å; M244-F603 HydrophobicContact CE-CE2 4.42Å; S600-F603 WeakPolarHBondContact O-CB 3.27Å; S600-F603 PolarHBondContact O-N 3.05Å; F603-F605 PolarHBondContact O-N 2.75Å; F603-S606 WeakPolarHBondContact CA-OG 3.25Å; F603-I607 HydrophobicContact CD1-CG2 4.19Å; F603-I607 HydrophobicContact CD2-CG2 3.6Å; F603-I607 HydrophobicContact CE1-CD1 4.49Å; F603-I607 HydrophobicContact CE1-CG2 4.09Å; F603-I607 HydrophobicContact CE2-CG2 3.47Å; F603-I607 VanDerWaalsContact CE2-CG2 3.47Å; F603-I607 HydrophobicContact CG-CG2 3.96Å; F603-I607 HydrophobicContact CZ-CG2 3.73Å; F603-I607 VanDerWaalsContact O-CG1 3.27Å; F603-I607 WeakPolarHBondContact O-CG1 3.41Å; F603-I607 VanDerWaalsContact O-CG2 3.27Å; F603-I607 WeakPolarHBondContact O-CG2 3.29Å; F603-I607 PolarHBondContact O-N 3.35Å; F603-W636 HydrophobicContact CD1-CZ2 4.3Å
604	P	95.1	Very high	93.2	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.019	10%	0.095	C	C	.	.	H	α-helix	trans	-67.2	-11.8	-173.3	23.8	-33.3	0	0	0	115.5	F608 F621 M640 P652	P604-F608 WeakPolarHBondContact O-CD2 3.25Å; P604-F608 VanDerWaalsContact O-CE2 3.26Å; P604-F608 WeakPolarHBondContact O-CE2 3.28Å; P604-F621 WeakPolarHBondContact O-CD2 3.15Å; P604-M640 HydrophobicContact CB-SD 4.39Å; P604-M640 VanDerWaalsContact CD-SD 3.56Å; P604-M640 HydrophobicContact CG-CB 4.01Å; P604-M640 HydrophobicContact CG-CG 3.8Å; P604-M640 HydrophobicContact CG-SD 3.71Å; P604-P652 HydrophobicContact CB-CB 3.88Å; P604-P652 HydrophobicContact CG-CB 3.63Å
605	F	95.1	Very high	93	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-128.8	-29.1	176.5	54.3	-86.1	0	0	0	113.9	L602 F603 I607 F608 W610 L617 F621 L643 A644 L647 T648	L602-F605 HydrophobicContact CB-CE2 4.47Å; L602-F605 HydrophobicContact CB-CZ 4.19Å; L602-F605 HydrophobicContact CD2-CE1 4.3Å; L602-F605 HydrophobicContact CD2-CE2 3.91Å; L602-F605 HydrophobicContact CD2-CZ 3.38Å; L602-F605 HydrophobicContact CG-CZ 4.39Å; L602-F605 PolarHBondContact O-N 3.44Å; F603-F605 PolarHBondContact O-N 2.75Å; F605-I607 VanDerWaalsContact C-N 3.32Å; F605-I607 PolarHBondContact O-N 2.93Å; F605-F608 PolarHBondContact O-N 3.19Å; F605-W610 HydrophobicContact CD2-CB 3.81Å; F605-W610 AromaticContact CD2-CD2 3.72Å; F605-W610 HydrophobicContact CD2-CD2 3.72Å; F605-W610 AromaticContact CD2-CE3 3.91Å; F605-W610 HydrophobicContact CD2-CE3 3.91Å; F605-W610 AromaticContact CD2-CG 3.66Å; F605-W610 HydrophobicContact CD2-CG 3.66Å; F605-W610 AromaticContact CE2-CD2 3.72Å; F605-W610 HydrophobicContact CE2-CD2 3.72Å; F605-W610 AromaticContact CE2-CE3 3.63Å; F605-W610 HydrophobicContact CE2-CE3 3.63Å; F605-W610 HydrophobicContact CE2-CG 4.17Å; F605-W610 HydrophobicContact CE2-CZ3 4.03Å; F605-W610 PolarHBondContact O-N 3.17Å; F605-L617 HydrophobicContact CB-CD1 4.13Å; F605-F621 HydrophobicContact CB-CD1 4.47Å; F605-F621 HydrophobicContact CB-CD2 3.67Å; F605-F621 HydrophobicContact CB-CE1 4.42Å; F605-F621 HydrophobicContact CB-CE2 3.62Å; F605-F621 HydrophobicContact CB-CG 4.13Å; F605-F621 HydrophobicContact CB-CZ 4.03Å; F605-F621 HydrophobicContact CD1-CE2 4.19Å; F605-F621 HydrophobicContact CD1-CZ 4.44Å; F605-F621 HydrophobicContact CG-CE2 4.31Å; F605-F621 HydrophobicContact CG-CZ 4.49Å; F605-L643 HydrophobicContact CZ-CB 4.48Å; F605-A644 HydrophobicContact CD1-CB 4Å; F605-A644 HydrophobicContact CE1-CB 3.77Å; F605-L647 HydrophobicContact CE2-CD1 4.26Å; F605-L647 HydrophobicContact CZ-CB 4.5Å; F605-L647 HydrophobicContact CZ-CD1 4Å; F605-T648 HydrophobicContact CD2-CG2 4.17Å; F605-T648 HydrophobicContact CE2-CG2 4.38Å; F605-T648 HydrophobicContact CG-CG2 4.41Å
606	S	95.4	Very high	93	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-31.8	176.5	55.6	0	0	0	0	113.1	M244 L602 F603 F608 G609	M244-S606 WeakPolarHBondContact CE-OG 3.43Å; L602-S606 VanDerWaalsContact O-CB 3.3Å; L602-S606 WeakPolarHBondContact O-CB 3.11Å; L602-S606 PolarHBondContact O-N 2.9Å; L602-S606 PolarHBondContact O-OG 3.23Å; F603-S606 WeakPolarHBondContact CA-OG 3.25Å; S606-F608 PolarHBondContact O-N 3.32Å; S606-G609 PolarHBondContact O-N 3.05Å
607	I	94.8	Very high	93.1	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.9	175.8	63.9	-177.6	0	0	0	112.1	V133 N171 C237 K243 M244 F603 F605 G609	V133-I607 HydrophobicContact CB-CD1 4.13Å; V133-I607 HydrophobicContact CG1-CD1 3.33Å; N171-I607 HydrophobicContact CB-CD1 3.93Å; C237-I607 HydrophobicContact CB-CG2 3.98Å; K243-I607 PolarHBondContact NZ-O 3.19Å; M244-I607 HydrophobicContact CE-CG2 4.07Å; M244-I607 HydrophobicContact SD-CG2 4.11Å; F603-I607 HydrophobicContact CD1-CG2 4.19Å; F603-I607 HydrophobicContact CD2-CG2 3.6Å; F603-I607 HydrophobicContact CE1-CD1 4.49Å; F603-I607 HydrophobicContact CE1-CG2 4.09Å; F603-I607 HydrophobicContact CE2-CG2 3.47Å; F603-I607 VanDerWaalsContact CE2-CG2 3.47Å; F603-I607 HydrophobicContact CG-CG2 3.96Å; F603-I607 HydrophobicContact CZ-CG2 3.73Å; F603-I607 VanDerWaalsContact O-CG1 3.27Å; F603-I607 WeakPolarHBondContact O-CG1 3.41Å; F603-I607 VanDerWaalsContact O-CG2 3.27Å; F603-I607 WeakPolarHBondContact O-CG2 3.29Å; F603-I607 PolarHBondContact O-N 3.35Å; F605-I607 VanDerWaalsContact C-N 3.32Å; F605-I607 PolarHBondContact O-N 2.93Å; I607-G609 PolarHBondContact O-N 3.12Å
608	F	94.3	Very high	93.1	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	9.8	177	-55	-51.4	0	0	0	112.4	V131 V133 L169 P604 F605 S606 T614 D616 L617 F620 F621	V131-F608 HydrophobicContact CG1-CZ 3.88Å; V133-F608 HydrophobicContact CG1-CZ 4.34Å; L169-F608 HydrophobicContact CD2-CE1 3.64Å; L169-F608 HydrophobicContact CD2-CZ 4.24Å; P604-F608 WeakPolarHBondContact O-CD2 3.25Å; P604-F608 VanDerWaalsContact O-CE2 3.26Å; P604-F608 WeakPolarHBondContact O-CE2 3.28Å; F605-F608 PolarHBondContact O-N 3.19Å; S606-F608 PolarHBondContact O-N 3.32Å; F608-T614 PolarHBondContact O-OG1 3.03Å; F608-D616 HydrophobicContact CB-CB 4.19Å; F608-D616 HydrophobicContact CD1-CB 4.26Å; F608-L617 HydrophobicContact CB-CB 4.13Å; F608-L617 HydrophobicContact CB-CD1 4.16Å; F608-L617 PolarHBondContact O-N 3.48Å; F608-F620 HydrophobicContact CD1-CB 4.01Å; F608-F620 HydrophobicContact CD1-CD2 4.44Å; F608-F620 HydrophobicContact CD2-CB 4.47Å; F608-F620 HydrophobicContact CE1-CB 3.67Å; F608-F620 HydrophobicContact CE1-CD2 4.44Å; F608-F620 HydrophobicContact CE1-CG 4.39Å; F608-F620 HydrophobicContact CE2-CB 4.14Å; F608-F620 HydrophobicContact CG-CB 4.41Å; F608-F620 HydrophobicContact CZ-CB 3.73Å; F608-F621 HydrophobicContact CD2-CB 4.01Å; F608-F621 HydrophobicContact CE2-CB 4.46Å
609	G	92.7	Very high	92.8	Very high	9 Å²	9	31.9 Å²	31.9	9%	0.093	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	16.7	171.3	0	0	0	0	0	115	S606 I607 E612	S606-G609 PolarHBondContact O-N 3.05Å; I607-G609 PolarHBondContact O-N 3.12Å; G609-E612 CarbonylContact C-O 3.58Å; G609-E612 CarbonylContact O-C 3.57Å; G609-E612 WeakPolarHBondContact O-CA 3.09Å; G609-E612 WeakPolarHBondContact O-CB 3.49Å; G609-E612 PolarHBondContact O-N 3.21Å
610	W	96	Very high	92.7	Very high	5 Å²	5	32 Å²	32	2%	0.019	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	136.9	164.8	-179.1	95.1	0	0	0	109.8	A247 E250 A251 F605 L617 L647	A247-W610 HydrophobicContact CB-CE3 3.92Å; A247-W610 HydrophobicContact CB-CZ3 4.18Å; A247-W610 VanDerWaalsContact CB-O 3.24Å; A247-W610 WeakPolarHBondContact CB-O 3.07Å; A247-W610 VanDerWaalsContact O-CZ3 3.26Å; A247-W610 WeakPolarHBondContact O-CZ3 3.44Å; E250-W610 HydrophobicContact CB-CH2 4.09Å; E250-W610 HydrophobicContact CB-CZ3 4.25Å; E250-W610 HydrophobicContact CG-CH2 3.93Å; E250-W610 HydrophobicContact CG-CZ2 4.28Å; E250-W610 HydrophobicContact CG-CZ3 4.49Å; A251-W610 HydrophobicContact CB-CH2 3.93Å; A251-W610 HydrophobicContact CB-CZ3 4.03Å; F605-W610 HydrophobicContact CD2-CB 3.81Å; F605-W610 AromaticContact CD2-CD2 3.72Å; F605-W610 HydrophobicContact CD2-CD2 3.72Å; F605-W610 AromaticContact CD2-CE3 3.91Å; F605-W610 HydrophobicContact CD2-CE3 3.91Å; F605-W610 AromaticContact CD2-CG 3.66Å; F605-W610 HydrophobicContact CD2-CG 3.66Å; F605-W610 AromaticContact CE2-CD2 3.72Å; F605-W610 HydrophobicContact CE2-CD2 3.72Å; F605-W610 AromaticContact CE2-CE3 3.63Å; F605-W610 HydrophobicContact CE2-CE3 3.63Å; F605-W610 HydrophobicContact CE2-CG 4.17Å; F605-W610 HydrophobicContact CE2-CZ3 4.03Å; F605-W610 PolarHBondContact O-N 3.17Å; W610-L617 HydrophobicContact CB-CD1 4.14Å; W610-L617 HydrophobicContact CB-CD2 4.03Å; W610-L647 HydrophobicContact CH2-CB 4.32Å; W610-L647 HydrophobicContact CH2-CD1 3.88Å; W610-L647 HydrophobicContact CH2-CD2 4.11Å; W610-L647 HydrophobicContact CH2-CG 4.34Å; W610-L647 HydrophobicContact CZ2-CB 3.9Å; W610-L647 HydrophobicContact CZ2-CD1 4.32Å; W610-L647 HydrophobicContact CZ2-CD2 4.19Å; W610-L647 HydrophobicContact CZ2-CG 4.37Å; W610-L647 HydrophobicContact CZ3-CD1 4.42Å
611	P	93.9	Very high	92.7	Very high	27 Å²	27	32.4 Å²	32.4	18%	0.175	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.7	-7	13.5	36.8	-41.2	0	0	0	116.5	E250 Q613	E250-P611 HydrophobicContact CB-CB 4.3Å; E250-P611 HydrophobicContact CB-CG 3.86Å; E250-P611 HydrophobicContact CG-CB 3.74Å; E250-P611 HydrophobicContact CG-CG 3.78Å; P611-Q613 PolarHBondContact O-N 3.15Å
612	E	88.6	Confident	92.6	Very high	72 Å²	72	34.4 Å²	34.4	34%	0.336	18%	0.177	S	C	.	.	S	Bend	trans	-64.4	120.7	173.9	-55.9	89.3	157.8	0	0	108.2	R246 G609 T614	R246-E612 IonicContact CZ-OE1 2.74Å; R246-E612 IonicContact NE-OE1 3.87Å; R246-E612 PolarHBondContact NE-OE1 2.99Å; R246-E612 IonicContact NH2-OE1 3.65Å; G609-E612 CarbonylContact C-O 3.58Å; G609-E612 CarbonylContact O-C 3.57Å; G609-E612 WeakPolarHBondContact O-CA 3.09Å; G609-E612 WeakPolarHBondContact O-CB 3.49Å; G609-E612 PolarHBondContact O-N 3.21Å; E612-T614 HydrophobicContact CB-CG2 4.13Å; E612-T614 VanDerWaalsContact O-CG2 3.3Å; E612-T614 WeakPolarHBondContact O-CG2 3.19Å; E612-T614 PolarHBondContact O-N 2.99Å
613	Q	87.1	Confident	92.5	Very high	160 Å²	160	34.9 Å²	34.9	75%	0.748	18%	0.182	S	C	*	.			trans	-71.7	68.4	-176	-68.4	-70	-30.4	0	0	111.2	P611	P611-Q613 PolarHBondContact O-N 3.15Å
614	T	92	Very high	92.5	Very high	46 Å²	46	36.7 Å²	36.7	28%	0.282	19%	0.193	S	C	.	.			trans	-74.8	164.6	-174.5	82.5	0	0	0	0	111.7	F608 E612 D616 L617 K618	F608-T614 PolarHBondContact O-OG1 3.03Å; E612-T614 HydrophobicContact CB-CG2 4.13Å; E612-T614 VanDerWaalsContact O-CG2 3.3Å; E612-T614 WeakPolarHBondContact O-CG2 3.19Å; E612-T614 PolarHBondContact O-N 2.99Å; T614-D616 VanDerWaalsContact C-N 3.3Å; T614-D616 PolarHBondContact O-N 3.25Å; T614-D616 PolarHBondContact OG1-N 3.18Å; T614-L617 PolarHBondContact O-N 3.38Å; T614-L617 PolarHBondContact OG1-N 3.18Å; T614-L617 VanDerWaalsContact OG1-N 3.08Å; T614-K618 PolarHBondContact O-N 2.98Å; T614-K618 VanDerWaalsContact O-N 3.15Å
615	N	88.9	Confident	92.5	Very high	124 Å²	124	36.7 Å²	36.7	66%	0.663	19%	0.193	S	C	*	.	H	α-helix	trans	-62.4	-37.9	172.3	-73.6	-9.3	0	0	0	112.3	L617 K618 N619	N615-L617 VanDerWaalsContact C-N 3.31Å; N615-L617 PolarHBondContact O-N 3.49Å; N615-K618 PolarHBondContact O-N 2.77Å; N615-N619 WeakPolarHBondContact O-CB 3.33Å; N615-N619 VanDerWaalsContact O-CG 3.27Å; N615-N619 PolarHBondContact O-N 3.43Å; N615-N619 PolarHBondContact O-ND2 3.33Å
616	D	90.6	Very high	92.6	Very high	43 Å²	43	36.7 Å²	36.7	23%	0.23	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-40.2	177.8	-84.9	12	0	0	0	110.5	R235 F608 T614 K618 N619 F620	R235-D616 IonicContact CZ-OD1 3Å; R235-D616 IonicContact CZ-OD2 2.56Å; R235-D616 IonicContact NE-OD1 3.51Å; R235-D616 IonicContact NE-OD2 3.37Å; R235-D616 PolarHBondContact NE-OD2 3.36Å; R235-D616 IonicContact NH2-OD1 3.14Å; R235-D616 PolarHBondContact NH2-OD1 3.15Å; R235-D616 IonicContact NH2-OD2 2.65Å; F608-D616 HydrophobicContact CB-CB 4.19Å; F608-D616 HydrophobicContact CD1-CB 4.26Å; T614-D616 VanDerWaalsContact C-N 3.3Å; T614-D616 PolarHBondContact O-N 3.25Å; T614-D616 PolarHBondContact OG1-N 3.18Å; D616-K618 VanDerWaalsContact C-N 3.33Å; D616-K618 PolarHBondContact O-N 3.06Å; D616-N619 PolarHBondContact O-N 3.33Å; D616-F620 HydrophobicContact CB-CD2 3.99Å; D616-F620 HydrophobicContact CB-CE2 4.41Å; D616-F620 WeakPolarHBondContact O-CB 3.1Å; D616-F620 WeakPolarHBondContact O-CD2 3.49Å; D616-F620 PolarHBondContact O-N 2.64Å; D616-F620 WeakPolarHBondContact OD1-CE2 3.47Å
617	L	92.5	Very high	92.6	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.068	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-42.2	176.1	-175.5	66.5	0	0	0	111	F605 F608 W610 T614 N615 F621	F605-L617 HydrophobicContact CB-CD1 4.13Å; F608-L617 HydrophobicContact CB-CB 4.13Å; F608-L617 HydrophobicContact CB-CD1 4.16Å; F608-L617 PolarHBondContact O-N 3.48Å; W610-L617 HydrophobicContact CB-CD1 4.14Å; W610-L617 HydrophobicContact CB-CD2 4.03Å; T614-L617 PolarHBondContact O-N 3.38Å; T614-L617 PolarHBondContact OG1-N 3.18Å; T614-L617 VanDerWaalsContact OG1-N 3.08Å; N615-L617 VanDerWaalsContact C-N 3.31Å; N615-L617 PolarHBondContact O-N 3.49Å; L617-F621 HydrophobicContact CD1-CB 3.81Å; L617-F621 HydrophobicContact CD1-CD1 4.11Å; L617-F621 HydrophobicContact CD1-CG 4.07Å; L617-F621 VanDerWaalsContact O-CB 3.29Å; L617-F621 WeakPolarHBondContact O-CB 3.01Å; L617-F621 PolarHBondContact O-N 3.16Å
618	K	89.4	Confident	92.6	Very high	125 Å²	125	36.6 Å²	36.6	54%	0.543	19%	0.192	S	C	.	.	H	α-helix	trans	-65.1	-43.6	178	-170.5	-179.8	-171.6	178.1	0	112.5	E123 T614 N615 D616	E123-K618 WeakPolarHBondContact OE1-CE 3.39Å; E123-K618 IonicContact OE1-NZ 2.63Å; E123-K618 PolarHBondContact OE1-NZ 3.4Å; E123-K618 IonicContact OE2-NZ 3.17Å; T614-K618 PolarHBondContact O-N 2.98Å; T614-K618 VanDerWaalsContact O-N 3.15Å; N615-K618 PolarHBondContact O-N 2.77Å; D616-K618 VanDerWaalsContact C-N 3.33Å; D616-K618 PolarHBondContact O-N 3.06Å
619	N	88.4	Confident	92.4	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.16	19%	0.194	C	C	.	.	H	α-helix	trans	-83.4	-37.3	-171.1	-69	-22.8	0	0	0	112.5	K129 N615 D616	K129-N619 WeakPolarHBondContact CD-O 3.22Å; K129-N619 PolarHBondContact NZ-O 3.48Å; N615-N619 WeakPolarHBondContact O-CB 3.33Å; N615-N619 VanDerWaalsContact O-CG 3.27Å; N615-N619 PolarHBondContact O-N 3.43Å; N615-N619 PolarHBondContact O-ND2 3.33Å; D616-N619 PolarHBondContact O-N 3.33Å
620	F	91.6	Very high	92.3	Very high	4 Å²	4	39 Å²	39	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-109.7	-13.7	-168.4	-55.2	-57.9	0	0	0	114.7	P114 V131 L169 F608 D616 P622	P114-F620 HydrophobicContact CB-CE1 3.92Å; P114-F620 HydrophobicContact CB-CZ 3.94Å; P114-F620 HydrophobicContact CG-CE1 3.97Å; P114-F620 HydrophobicContact CG-CE2 4.43Å; P114-F620 HydrophobicContact CG-CZ 3.57Å; V131-F620 HydrophobicContact CG1-CB 4.24Å; V131-F620 HydrophobicContact CG2-CB 4.22Å; V131-F620 HydrophobicContact CG2-CD1 3.99Å; L169-F620 HydrophobicContact CB-CD1 4.23Å; L169-F620 HydrophobicContact CB-CE1 4.36Å; L169-F620 HydrophobicContact CD2-CB 3.9Å; L169-F620 HydrophobicContact CD2-CD1 3.73Å; L169-F620 HydrophobicContact CD2-CD2 3.6Å; L169-F620 HydrophobicContact CD2-CE1 4.13Å; L169-F620 HydrophobicContact CD2-CE2 4.01Å; L169-F620 HydrophobicContact CD2-CG 3.45Å; L169-F620 VanDerWaalsContact CD2-CG 3.45Å; L169-F620 HydrophobicContact CD2-CZ 4.26Å; F608-F620 HydrophobicContact CD1-CB 4.01Å; F608-F620 HydrophobicContact CD1-CD2 4.44Å; F608-F620 HydrophobicContact CD2-CB 4.47Å; F608-F620 HydrophobicContact CE1-CB 3.67Å; F608-F620 HydrophobicContact CE1-CD2 4.44Å; F608-F620 HydrophobicContact CE1-CG 4.39Å; F608-F620 HydrophobicContact CE2-CB 4.14Å; F608-F620 HydrophobicContact CG-CB 4.41Å; F608-F620 HydrophobicContact CZ-CB 3.73Å; D616-F620 HydrophobicContact CB-CD2 3.99Å; D616-F620 HydrophobicContact CB-CE2 4.41Å; D616-F620 WeakPolarHBondContact O-CB 3.1Å; D616-F620 WeakPolarHBondContact O-CD2 3.49Å; D616-F620 PolarHBondContact O-N 2.64Å; D616-F620 WeakPolarHBondContact OD1-CE2 3.47Å; F620-P622 CarbonylContact O-C 3.55Å
621	F	92.9	Very high	91.7	Very high	10 Å²	10	42 Å²	42	4%	0.044	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-102.5	135.6	172	-177.3	-104.7	0	0	0	111.7	P604 F605 F608 L617 A644 T648 K650	P604-F621 WeakPolarHBondContact O-CD2 3.15Å; F605-F621 HydrophobicContact CB-CD1 4.47Å; F605-F621 HydrophobicContact CB-CD2 3.67Å; F605-F621 HydrophobicContact CB-CE1 4.42Å; F605-F621 HydrophobicContact CB-CE2 3.62Å; F605-F621 HydrophobicContact CB-CG 4.13Å; F605-F621 HydrophobicContact CB-CZ 4.03Å; F605-F621 HydrophobicContact CD1-CE2 4.19Å; F605-F621 HydrophobicContact CD1-CZ 4.44Å; F605-F621 HydrophobicContact CG-CE2 4.31Å; F605-F621 HydrophobicContact CG-CZ 4.49Å; F608-F621 HydrophobicContact CD2-CB 4.01Å; F608-F621 HydrophobicContact CE2-CB 4.46Å; L617-F621 HydrophobicContact CD1-CB 3.81Å; L617-F621 HydrophobicContact CD1-CD1 4.11Å; L617-F621 HydrophobicContact CD1-CG 4.07Å; L617-F621 VanDerWaalsContact O-CB 3.29Å; L617-F621 WeakPolarHBondContact O-CB 3.01Å; L617-F621 PolarHBondContact O-N 3.16Å; F621-A644 HydrophobicContact CZ-CB 4.35Å; F621-T648 HydrophobicContact CE1-CG2 4.18Å; F621-T648 WeakPolarHBondContact CE1-OG1 3.21Å; F621-T648 HydrophobicContact CZ-CG2 4.4Å; F621-T648 WeakPolarHBondContact CZ-OG1 3.4Å; F621-K650 HydrophobicContact CD1-CD 4.37Å; F621-K650 HydrophobicContact CE1-CB 3.9Å; F621-K650 HydrophobicContact CE1-CD 3.97Å; F621-K650 HydrophobicContact CZ-CB 4.16Å
622	P	93.8	Very high	91.5	Very high	42 Å²	42	42.3 Å²	42.3	27%	0.273	22%	0.216	S	C	.	.	S	Bend	cis	-74.9	157.8	-1.2	34.4	-37.8	0	0	0	113.3	F620 L651	F620-P622 CarbonylContact O-C 3.55Å; P622-L651 WeakPolarHBondContact CB-O 3.31Å
623	G	93.9	Very high	91.7	Very high	10 Å²	10	39 Å²	39	10%	0.103	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	163.4	174.7	0	0	0	0	0	112.8	P652 F653 T654	G623-P652 PolarHBondContact N-O 3.1Å; G623-F653 VanDerWaalsContact O-CA 3.26Å; G623-F653 WeakPolarHBondContact O-CA 3.45Å; G623-T654 PolarHBondContact O-N 2.95Å
624	T	95	Very high	91.8	Very high	37 Å²	37	33 Å²	33	23%	0.227	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-51.4	177.9	-49.3	0	0	0	0	110.3	K129 F130 V131 T654 T655	K129-T624 PolarHBondContact O-OG1 3.06Å; F130-T624 WeakPolarHBondContact CA-OG1 3.27Å; F130-T624 HydrophobicContact CD2-CG2 3.96Å; F130-T624 HydrophobicContact CE2-CG2 4.5Å; V131-T624 PolarHBondContact N-OG1 3.28Å; V131-T624 VanDerWaalsContact N-OG1 3.09Å; V131-T624 PolarHBondContact O-N 3.33Å; T624-T654 PolarHBondContact O-N 2.86Å; T624-T654 PolarHBondContact O-OG1 3.32Å; T624-T655 PolarHBondContact O-N 2.79Å
625	L	96.1	Very high	91.2	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.7	-174.4	176.5	67.6	0	0	0	110.4	F130 V131 I132 L157 T655 Y812	F130-L625 HydrophobicContact CE2-CB 3.92Å; F130-L625 HydrophobicContact CE2-CD2 4.15Å; F130-L625 HydrophobicContact CZ-CB 4.22Å; F130-L625 HydrophobicContact CZ-CD2 3.97Å; V131-L625 PolarHBondContact O-N 3.38Å; I132-L625 HydrophobicContact CD1-CD2 4.21Å; I132-L625 HydrophobicContact CD1-CG 4.36Å; L157-L625 HydrophobicContact CD1-CD2 3.48Å; L157-L625 VanDerWaalsContact CD1-CD2 3.48Å; L625-T655 CarbonylContact C-O 3.6Å; L625-T655 WeakPolarHBondContact CA-O 3.49Å; L625-T655 HydrophobicContact CD1-CG2 3.89Å; L625-Y812 HydrophobicContact CD1-CE1 4.06Å; L625-Y812 HydrophobicContact CD2-CE1 3.91Å
626	L	97.3	Very high	91.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.1	157.7	-179.4	79.3	0	0	0	109.2	V133 T628 W636 V637 M640 F653 T655 V656 Y657	V133-L626 HydrophobicContact CG2-CD1 4.09Å; L626-T628 HydrophobicContact CD2-CG2 4.35Å; L626-W636 HydrophobicContact CD1-CH2 3.88Å; L626-W636 HydrophobicContact CD1-CZ3 3.89Å; L626-V637 HydrophobicContact CD2-CB 4.29Å; L626-V637 HydrophobicContact CD2-CG1 4.06Å; L626-V637 HydrophobicContact CD2-CG2 3.71Å; L626-M640 HydrophobicContact CD1-CE 3.96Å; L626-M640 HydrophobicContact CD2-CE 3.28Å; L626-M640 HydrophobicContact CG-CE 4.27Å; L626-F653 HydrophobicContact CB-CB 4.49Å; L626-F653 HydrophobicContact CB-CD1 3.61Å; L626-F653 HydrophobicContact CB-CD2 4.05Å; L626-F653 HydrophobicContact CB-CE1 3.79Å; L626-F653 HydrophobicContact CB-CE2 4.23Å; L626-F653 HydrophobicContact CB-CG 3.75Å; L626-F653 HydrophobicContact CB-CZ 4.1Å; L626-F653 HydrophobicContact CD1-CE1 4.33Å; L626-F653 HydrophobicContact CD2-CD1 4.31Å; L626-F653 HydrophobicContact CD2-CE1 3.6Å; L626-F653 HydrophobicContact CD2-CE2 4.23Å; L626-F653 HydrophobicContact CD2-CZ 3.56Å; L626-F653 HydrophobicContact CG-CD1 4.37Å; L626-F653 HydrophobicContact CG-CE1 4.11Å; L626-F653 HydrophobicContact CG-CZ 4.41Å; L626-T655 PolarHBondContact N-O 3Å; L626-V656 CarbonylContact O-C 3.55Å; L626-V656 VanDerWaalsContact O-CA 3.31Å; L626-V656 WeakPolarHBondContact O-CA 3.47Å; L626-Y657 PolarHBondContact O-N 2.93Å
627	E	96	Very high	91.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138	169	-167.7	-95.4	-173.1	0	0	109.8	I132 P135 I153 E154 Y657 H659	I132-E627 HydrophobicContact CD1-CB 4.02Å; P135-E627 VanDerWaalsContact CG-O 3.24Å; P135-E627 WeakPolarHBondContact CG-O 3.46Å; I153-E627 WeakPolarHBondContact CD1-OE1 3.43Å; I153-E627 HydrophobicContact CG2-CG 3.85Å; E154-E627 HydrophobicContact CG-CB 3.85Å; E154-E627 HydrophobicContact CG-CG 4.22Å; E627-Y657 WeakPolarHBondContact CA-O 3.47Å; E627-Y657 HydrophobicContact CG-CD1 3.76Å; E627-H659 IonicContact OE1-CE1 2.7Å; E627-H659 PolarHBondContact OE1-CE1 3.08Å; E627-H659 IonicContact OE1-CG 2.73Å; E627-H659 IonicContact OE1-ND1 2.65Å; E627-H659 PolarHBondContact OE1-ND1 3.42Å; E627-H659 IonicContact OE2-CE1 3.11Å; E627-H659 IonicContact OE2-ND1 2.84Å; E627-H659 PolarHBondContact OE2-ND1 3.14Å
628	T	94.2	Very high	91.8	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.025	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	166	171.7	-179.5	0	0	0	0	111.8	L626 I632 V637 Y657 L658 H659	L626-T628 HydrophobicContact CD2-CG2 4.35Å; T628-I632 HydrophobicContact CG2-CG1 4.32Å; T628-I632 WeakPolarHBondContact OG1-CD1 3.35Å; T628-I632 WeakPolarHBondContact OG1-CG1 3.24Å; T628-V637 HydrophobicContact CG2-CG2 3.72Å; T628-Y657 PolarHBondContact N-O 2.74Å; T628-L658 HydrophobicContact CG2-CD2 3.72Å; T628-L658 CarbonylContact O-C 3.45Å; T628-L658 VanDerWaalsContact O-CA 3.22Å; T628-L658 WeakPolarHBondContact O-CA 3.31Å; T628-H659 PolarHBondContact O-N 3.02Å; T628-H659 PolarHBondContact O-ND1 3.09Å
629	G	90.5	Very high	92	Very high	4 Å²	4	18.4 Å²	18.4	4%	0.041	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	148	167	0	0	0	0	0	111.9	D631 I632 H659	G629-D631 PolarHBondContact O-N 2.9Å; G629-D631 VanDerWaalsContact O-N 3.13Å; G629-I632 PolarHBondContact O-N 3.19Å; G629-H659 PolarHBondContact N-CE1 3.06Å; G629-H659 PolarHBondContact N-ND1 3.09Å; G629-H659 PolarHBondContact N-NE2 3.34Å
630	Y	89.8	Confident	92.4	Very high	60 Å²	60	17 Å²	17	24%	0.235	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-63.9	-15.7	178.9	71.1	-103	0	0	0	114	I632 L633 H659 I661 R741 D742	Y630-I632 VanDerWaalsContact C-N 3.29Å; Y630-I632 PolarHBondContact O-N 3.33Å; Y630-L633 WeakPolarHBondContact O-CB 3.43Å; Y630-L633 PolarHBondContact O-N 2.93Å; Y630-H659 PolarHBondContact N-O 2.94Å; Y630-I661 HydrophobicContact CD1-CG1 3.95Å; Y630-I661 HydrophobicContact CE1-CB 4.18Å; Y630-I661 HydrophobicContact CE1-CD1 4.5Å; Y630-I661 HydrophobicContact CE1-CG1 3.42Å; Y630-I661 VanDerWaalsContact CE1-CG1 3.42Å; Y630-I661 HydrophobicContact CE2-CG1 4.42Å; Y630-R741 WeakPolarHBondContact CE1-O 3.4Å; Y630-D742 PolarHBondContact OH-OD1 3.49Å
631	D	84.1	Confident	92.7	Very high	68 Å²	68	16.8 Å²	16.8	36%	0.364	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-68.9	-26	-177.3	65	-38.7	0	0	0	113.2	G629 F635 I661	G629-D631 PolarHBondContact O-N 2.9Å; G629-D631 VanDerWaalsContact O-N 3.13Å; D631-F635 VanDerWaalsContact O-CD2 3.32Å; D631-F635 WeakPolarHBondContact O-CD2 3.43Å; D631-F635 WeakPolarHBondContact O-CE2 3.39Å; D631-I661 HydrophobicContact CB-CD1 4.18Å; D631-I661 WeakPolarHBondContact OD1-CD1 3.28Å
632	I	89.3	Confident	92.9	Very high	33 Å²	33	16.3 Å²	16.3	17%	0.169	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-105.8	16.1	177.9	66	175.3	0	0	0	114.8	W597 T628 G629 Y630 F634 F635 W636 V637	W597-I632 HydrophobicContact CH2-CG2 4.17Å; T628-I632 HydrophobicContact CG2-CG1 4.32Å; T628-I632 WeakPolarHBondContact OG1-CD1 3.35Å; T628-I632 WeakPolarHBondContact OG1-CG1 3.24Å; G629-I632 PolarHBondContact O-N 3.19Å; Y630-I632 VanDerWaalsContact C-N 3.29Å; Y630-I632 PolarHBondContact O-N 3.33Å; I632-F634 VanDerWaalsContact C-N 3.27Å; I632-F634 PolarHBondContact O-N 3.48Å; I632-F635 HydrophobicContact CB-CB 4.32Å; I632-F635 HydrophobicContact CG2-CD2 4.46Å; I632-F635 PolarHBondContact O-N 3.17Å; I632-W636 HydrophobicContact CB-CB 4.23Å; I632-W636 HydrophobicContact CD1-CB 4.23Å; I632-W636 HydrophobicContact CD1-CD2 4.29Å; I632-W636 HydrophobicContact CD1-CE3 3.58Å; I632-W636 HydrophobicContact CD1-CZ3 4.41Å; I632-W636 HydrophobicContact CG1-CB 4.39Å; I632-W636 HydrophobicContact CG1-CE3 4.41Å; I632-W636 PolarHBondContact O-N 3.4Å; I632-V637 PolarHBondContact O-N 3.4Å
633	L	92.1	Very high	93	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	7%	0.073	C	C	.	.	I	π-helix	trans	-51.4	-44.8	174.7	179	57.4	0	0	0	112.5	H514 W518 Y630 V637 A638 L658	H514-L633 HydrophobicContact CB-CD2 4.49Å; W518-L633 HydrophobicContact CE3-CD1 3.77Å; W518-L633 HydrophobicContact CE3-CG 4.15Å; W518-L633 HydrophobicContact CZ3-CD1 3.87Å; W518-L633 HydrophobicContact CZ3-CG 4.48Å; Y630-L633 WeakPolarHBondContact O-CB 3.43Å; Y630-L633 PolarHBondContact O-N 2.93Å; L633-V637 HydrophobicContact CD1-CB 4.05Å; L633-V637 HydrophobicContact CD1-CG1 4.24Å; L633-V637 HydrophobicContact CD1-CG2 4.24Å; L633-V637 VanDerWaalsContact O-CB 3.31Å; L633-V637 WeakPolarHBondContact O-CB 3.45Å; L633-V637 PolarHBondContact O-N 3.44Å; L633-A638 PolarHBondContact O-N 2.86Å; L633-L658 HydrophobicContact CD1-CD1 3.88Å; L633-L658 HydrophobicContact CD1-CD2 4.28Å; L633-L658 HydrophobicContact CD2-CD1 3.9Å; L633-L658 HydrophobicContact CG-CD1 4.32Å
634	F	89	Confident	93.2	Very high	34 Å²	34	13.9 Å²	13.9	15%	0.149	7%	0.068	C	C	.	.	I	π-helix	trans	-91.7	-29.8	-177.8	-55.6	-54.7	0	0	0	113.8	I281 T517 W521 I632	I281-F634 HydrophobicContact CD1-CB 4.07Å; T517-F634 HydrophobicContact CG2-CE2 4.01Å; T517-F634 HydrophobicContact CG2-CZ 3.63Å; W521-F634 HydrophobicContact CB-CD1 3.81Å; W521-F634 HydrophobicContact CB-CE1 3.34Å; W521-F634 HydrophobicContact CB-CE2 4.44Å; W521-F634 HydrophobicContact CB-CZ 3.71Å; W521-F634 AromaticContact CD1-CD1 3.92Å; W521-F634 AromaticContact CD1-CD2 3.93Å; W521-F634 AromaticContact CD1-CG 3.84Å; W521-F634 HydrophobicContact CD2-CB 4.07Å; W521-F634 AromaticContact CD2-CD1 3.31Å; W521-F634 HydrophobicContact CD2-CD1 3.31Å; W521-F634 AromaticContact CD2-CE1 3.88Å; W521-F634 HydrophobicContact CD2-CE1 3.88Å; W521-F634 AromaticContact CD2-CG 3.72Å; W521-F634 HydrophobicContact CD2-CG 3.72Å; W521-F634 AromaticContact CE2-CD1 3.87Å; W521-F634 AromaticContact CE2-CG 3.77Å; W521-F634 HydrophobicContact CE3-CB 4.48Å; W521-F634 AromaticContact CE3-CD1 3.58Å; W521-F634 HydrophobicContact CE3-CD1 3.58Å; W521-F634 HydrophobicContact CE3-CE1 4.21Å; W521-F634 HydrophobicContact CE3-CG 4.29Å; W521-F634 AromaticContact CG-CD1 3.4Å; W521-F634 HydrophobicContact CG-CD1 3.4Å; W521-F634 HydrophobicContact CG-CD2 4.2Å; W521-F634 AromaticContact CG-CE1 3.48Å; W521-F634 HydrophobicContact CG-CE1 3.48Å; W521-F634 VanDerWaalsContact CG-CE1 3.48Å; W521-F634 HydrophobicContact CG-CE2 4.26Å; W521-F634 AromaticContact CG-CG 3.79Å; W521-F634 HydrophobicContact CG-CG 3.79Å; W521-F634 AromaticContact CG-CZ 3.93Å; W521-F634 HydrophobicContact CG-CZ 3.93Å; W521-F634 HydrophobicContact CH2-CB 4.22Å; W521-F634 HydrophobicContact CZ2-CB 3.82Å; W521-F634 HydrophobicContact CZ2-CG 4.38Å; W521-F634 HydrophobicContact CZ3-CD1 4.28Å; W521-F634 AromaticContact NE1-CG 3.82Å; I632-F634 VanDerWaalsContact C-N 3.27Å; I632-F634 PolarHBondContact O-N 3.48Å
635	F	80.8	Confident	93.3	Very high	19 Å²	19	12.9 Å²	12.9	8%	0.083	6%	0.061	C	C	.	.	I	π-helix	trans	-72.5	-36.7	179.8	-66.6	-85.8	0	0	0	112.1	I281 Y457 W597 D631 I632 R639	I281-F635 HydrophobicContact CB-CE1 3.88Å; I281-F635 HydrophobicContact CB-CZ 4.11Å; I281-F635 HydrophobicContact CD1-CD1 4.05Å; I281-F635 HydrophobicContact CD1-CD2 4.02Å; I281-F635 HydrophobicContact CD1-CE1 3.74Å; I281-F635 HydrophobicContact CD1-CE2 3.68Å; I281-F635 HydrophobicContact CD1-CG 4.22Å; I281-F635 HydrophobicContact CD1-CZ 3.56Å; I281-F635 HydrophobicContact CG1-CD1 4.4Å; I281-F635 HydrophobicContact CG1-CE1 3.62Å; I281-F635 HydrophobicContact CG1-CE2 3.96Å; I281-F635 HydrophobicContact CG1-CZ 3.37Å; I281-F635 HydrophobicContact CG2-CD1 3.73Å; I281-F635 HydrophobicContact CG2-CE1 3.2Å; I281-F635 HydrophobicContact CG2-CZ 3.95Å; Y457-F635 WeakPolarHBondContact OH-CE1 3.41Å; W597-F635 HydrophobicContact CD2-CB 3.93Å; W597-F635 AromaticContact CE2-CD1 3.8Å; W597-F635 HydrophobicContact CE3-CB 3.9Å; W597-F635 VanDerWaalsContact CE3-O 3.22Å; W597-F635 HydrophobicContact CH2-CB 3.67Å; W597-F635 HydrophobicContact CH2-CG 4.33Å; W597-F635 HydrophobicContact CZ2-CB 3.68Å; W597-F635 AromaticContact CZ2-CD1 3.85Å; W597-F635 HydrophobicContact CZ2-CD1 3.85Å; W597-F635 AromaticContact CZ2-CG 3.98Å; W597-F635 HydrophobicContact CZ2-CG 3.98Å; W597-F635 HydrophobicContact CZ3-CB 3.79Å; W597-F635 AromaticContact NE1-CD1 3.83Å; D631-F635 VanDerWaalsContact O-CD2 3.32Å; D631-F635 WeakPolarHBondContact O-CD2 3.43Å; D631-F635 WeakPolarHBondContact O-CE2 3.39Å; I632-F635 HydrophobicContact CB-CB 4.32Å; I632-F635 HydrophobicContact CG2-CD2 4.46Å; I632-F635 PolarHBondContact O-N 3.17Å; F635-R639 WeakPolarHBondContact O-CG 3.34Å
636	W	92	Very high	93.3	Very high	3 Å²	3	15.4 Å²	15.4	1%	0.011	7%	0.072	C	C	.	.	I	π-helix	trans	-124.5	-56.3	-168.7	-162.3	36.8	0	0	0	112.8	P135 P136 W597 S600 F603 L626 I632 A638 R639 M640	P135-W636 VanDerWaalsContact CA-CZ3 3.5Å; P135-W636 HydrophobicContact CB-CE3 4.42Å; P135-W636 HydrophobicContact CB-CH2 3.98Å; P135-W636 HydrophobicContact CB-CZ3 3.55Å; P135-W636 HydrophobicContact CG-CH2 4.31Å; P135-W636 HydrophobicContact CG-CZ3 3.83Å; P136-W636 HydrophobicContact CG-CZ2 4.22Å; W597-W636 HydrophobicContact CE3-CB 4.09Å; W597-W636 HydrophobicContact CE3-CG 4.4Å; W597-W636 HydrophobicContact CZ3-CB 3.78Å; W597-W636 HydrophobicContact CZ3-CG 4.14Å; S600-W636 PolarHBondContact O-NE1 2.9Å; F603-W636 HydrophobicContact CD1-CZ2 4.3Å; L626-W636 HydrophobicContact CD1-CH2 3.88Å; L626-W636 HydrophobicContact CD1-CZ3 3.89Å; I632-W636 HydrophobicContact CB-CB 4.23Å; I632-W636 HydrophobicContact CD1-CB 4.23Å; I632-W636 HydrophobicContact CD1-CD2 4.29Å; I632-W636 HydrophobicContact CD1-CE3 3.58Å; I632-W636 HydrophobicContact CD1-CZ3 4.41Å; I632-W636 HydrophobicContact CG1-CB 4.39Å; I632-W636 HydrophobicContact CG1-CE3 4.41Å; I632-W636 PolarHBondContact O-N 3.4Å; W636-A638 PolarHBondContact O-N 2.94Å; W636-R639 PolarHBondContact O-N 3.48Å; W636-M640 HydrophobicContact CB-CE 4.46Å; W636-M640 HydrophobicContact CD2-CE 3.41Å; W636-M640 VanDerWaalsContact CD2-CE 3.41Å; W636-M640 HydrophobicContact CD2-SD 4.17Å; W636-M640 HydrophobicContact CE3-CE 3.69Å; W636-M640 HydrophobicContact CG-CE 3.78Å; W636-M640 HydrophobicContact CH2-CE 4.03Å; W636-M640 HydrophobicContact CH2-SD 4.26Å; W636-M640 HydrophobicContact CZ2-CE 3.85Å; W636-M640 HydrophobicContact CZ2-SD 3.69Å; W636-M640 HydrophobicContact CZ3-CE 3.98Å; W636-M640 WeakPolarHBondContact O-CG 3.28Å; W636-M640 PolarHBondContact O-N 3.24Å
637	V	95.6	Very high	93.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-58.9	-49.8	-176.3	-172.4	0	0	0	0	111.1	W518 L626 T628 I632 L633 R639 M640 V641 F653 V656	W518-V637 HydrophobicContact CZ3-CG1 4.35Å; L626-V637 HydrophobicContact CD2-CB 4.29Å; L626-V637 HydrophobicContact CD2-CG1 4.06Å; L626-V637 HydrophobicContact CD2-CG2 3.71Å; T628-V637 HydrophobicContact CG2-CG2 3.72Å; I632-V637 PolarHBondContact O-N 3.4Å; L633-V637 HydrophobicContact CD1-CB 4.05Å; L633-V637 HydrophobicContact CD1-CG1 4.24Å; L633-V637 HydrophobicContact CD1-CG2 4.24Å; L633-V637 VanDerWaalsContact O-CB 3.31Å; L633-V637 WeakPolarHBondContact O-CB 3.45Å; L633-V637 PolarHBondContact O-N 3.44Å; V637-R639 VanDerWaalsContact C-N 3.31Å; V637-R639 PolarHBondContact O-N 3.46Å; V637-M640 PolarHBondContact O-N 2.91Å; V637-V641 WeakPolarHBondContact O-CG2 3.14Å; V637-V641 PolarHBondContact O-N 3.07Å; V637-F653 HydrophobicContact CG1-CE2 4.04Å; V637-F653 HydrophobicContact CG1-CZ 3.85Å; V637-V656 HydrophobicContact CG1-CG1 4.01Å; V637-V656 HydrophobicContact CG1-CG2 3.74Å; V637-V656 HydrophobicContact CG2-CG1 4.43Å
638	A	95.2	Very high	93.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.1	-43.5	175.1	0	0	0	0	0	112.7	W518 W521 M522 L633 W636 V641 F642	W518-A638 HydrophobicContact CH2-CB 4.13Å; W518-A638 HydrophobicContact CZ3-CB 3.92Å; W521-A638 HydrophobicContact CZ3-CB 4.02Å; M522-A638 HydrophobicContact CE-CB 3.57Å; L633-A638 PolarHBondContact O-N 2.86Å; W636-A638 PolarHBondContact O-N 2.94Å; A638-V641 PolarHBondContact O-N 3.39Å; A638-F642 WeakPolarHBondContact O-CD1 3.25Å; A638-F642 WeakPolarHBondContact O-CG 3.34Å; A638-F642 PolarHBondContact O-N 2.87Å
639	R	94.7	Very high	93.2	Very high	23 Å²	23	24.1 Å²	24.1	9%	0.087	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-39.3	-179.2	-59.2	-61.2	177.3	-117.2	3.2	112.2	W521 W528 F635 W636 V637 F642 L643	W521-R639 VanDerWaalsContact CH2-NH1 3.34Å; W528-R639 HydrophobicContact CH2-CG 4.22Å; W528-R639 HydrophobicContact CZ3-CG 4.48Å; F635-R639 WeakPolarHBondContact O-CG 3.34Å; W636-R639 PolarHBondContact O-N 3.48Å; V637-R639 VanDerWaalsContact C-N 3.31Å; V637-R639 PolarHBondContact O-N 3.46Å; R639-F642 PolarHBondContact O-N 2.91Å; R639-L643 WeakPolarHBondContact O-CB 3.48Å; R639-L643 WeakPolarHBondContact O-CG 3.42Å; R639-L643 PolarHBondContact O-N 3.45Å
640	M	97.3	Very high	93.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-44.8	173.7	-74.4	-173.2	-73.7	0	0	111.9	G601 P604 L626 W636 V637 A644 P652 F653	G601-M640 WeakPolarHBondContact O-CA 3.36Å; G601-M640 WeakPolarHBondContact O-CG 3.38Å; P604-M640 HydrophobicContact CB-SD 4.39Å; P604-M640 VanDerWaalsContact CD-SD 3.56Å; P604-M640 HydrophobicContact CG-CB 4.01Å; P604-M640 HydrophobicContact CG-CG 3.8Å; P604-M640 HydrophobicContact CG-SD 3.71Å; L626-M640 HydrophobicContact CD1-CE 3.96Å; L626-M640 HydrophobicContact CD2-CE 3.28Å; L626-M640 HydrophobicContact CG-CE 4.27Å; W636-M640 HydrophobicContact CB-CE 4.46Å; W636-M640 HydrophobicContact CD2-CE 3.41Å; W636-M640 VanDerWaalsContact CD2-CE 3.41Å; W636-M640 HydrophobicContact CD2-SD 4.17Å; W636-M640 HydrophobicContact CE3-CE 3.69Å; W636-M640 HydrophobicContact CG-CE 3.78Å; W636-M640 HydrophobicContact CH2-CE 4.03Å; W636-M640 HydrophobicContact CH2-SD 4.26Å; W636-M640 HydrophobicContact CZ2-CE 3.85Å; W636-M640 HydrophobicContact CZ2-SD 3.69Å; W636-M640 HydrophobicContact CZ3-CE 3.98Å; W636-M640 WeakPolarHBondContact O-CG 3.28Å; W636-M640 PolarHBondContact O-N 3.24Å; V637-M640 PolarHBondContact O-N 2.91Å; M640-A644 WeakPolarHBondContact O-CB 3.29Å; M640-A644 PolarHBondContact O-N 3.25Å; M640-P652 HydrophobicContact CB-CB 4.44Å; M640-P652 HydrophobicContact CB-CG 4.22Å; M640-F653 HydrophobicContact CB-CE1 4.08Å; M640-F653 HydrophobicContact CB-CZ 4.25Å; M640-F653 HydrophobicContact CE-CE1 3.94Å; M640-F653 HydrophobicContact CE-CZ 4.22Å; M640-F653 HydrophobicContact SD-CE1 4Å
641	V	97.5	Very high	93.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-46.8	178	174.7	0	0	0	0	110.6	A498 L507 W518 V637 A638 Q645 L651 P652 F653	A498-V641 HydrophobicContact CB-CG1 3.75Å; L507-V641 HydrophobicContact CD2-CG1 4.49Å; L507-V641 HydrophobicContact CD2-CG2 3.85Å; W518-V641 HydrophobicContact CH2-CB 4.49Å; W518-V641 HydrophobicContact CH2-CG2 4.21Å; V637-V641 WeakPolarHBondContact O-CG2 3.14Å; V637-V641 PolarHBondContact O-N 3.07Å; A638-V641 PolarHBondContact O-N 3.39Å; V641-Q645 HydrophobicContact CG1-CG 4.48Å; V641-Q645 WeakPolarHBondContact O-CB 3.4Å; V641-Q645 VanDerWaalsContact O-CG 3.3Å; V641-Q645 WeakPolarHBondContact O-CG 3.38Å; V641-Q645 PolarHBondContact O-N 3.2Å; V641-L651 HydrophobicContact CG1-CD2 4.12Å; V641-P652 HydrophobicContact CG2-CG 4Å; V641-F653 HydrophobicContact CG2-CE2 4.08Å; V641-F653 HydrophobicContact CG2-CZ 4.13Å
642	F	96.3	Very high	94.3	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-58.9	-55.7	179.5	-72.7	5.9	0	0	0	112.1	C491 M494 A495 A498 M522 I525 A638 R639 Q645 K646	C491-F642 HydrophobicContact CB-CE2 4.27Å; M494-F642 HydrophobicContact CB-CB 4.09Å; M494-F642 HydrophobicContact CB-CD1 3.89Å; M494-F642 HydrophobicContact CB-CD2 4.14Å; M494-F642 HydrophobicContact CB-CE1 4.35Å; M494-F642 HydrophobicContact CB-CG 3.79Å; M494-F642 HydrophobicContact CG-CB 4.49Å; M494-F642 HydrophobicContact SD-CB 3.75Å; M494-F642 HydrophobicContact SD-CG 4.37Å; A495-F642 HydrophobicContact CB-CE1 4.27Å; A495-F642 HydrophobicContact CB-CZ 3.82Å; A498-F642 HydrophobicContact CB-CD1 4.05Å; A498-F642 HydrophobicContact CB-CE1 3.68Å; M522-F642 HydrophobicContact CE-CE1 3.66Å; M522-F642 HydrophobicContact CE-CZ 3.87Å; M522-F642 HydrophobicContact SD-CE1 3.65Å; M522-F642 HydrophobicContact SD-CZ 3.43Å; M522-F642 WeakPolarHBondContact SD-CZ 3.45Å; I525-F642 HydrophobicContact CD1-CE2 3.48Å; I525-F642 VanDerWaalsContact CD1-CE2 3.48Å; I525-F642 HydrophobicContact CD1-CZ 3.5Å; I525-F642 VanDerWaalsContact CD1-CZ 3.5Å; A638-F642 WeakPolarHBondContact O-CD1 3.25Å; A638-F642 WeakPolarHBondContact O-CG 3.34Å; A638-F642 PolarHBondContact O-N 2.87Å; R639-F642 PolarHBondContact O-N 2.91Å; F642-Q645 PolarHBondContact O-N 3.36Å; F642-K646 VanDerWaalsContact O-CB 3.22Å; F642-K646 WeakPolarHBondContact O-CB 3.45Å; F642-K646 PolarHBondContact O-N 3.46Å
643	L	97.2	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.7	-38.8	-173.1	-64.6	175.3	0	0	0	111.7	M255 F598 L602 F605 R639 K646 L647	M255-L643 HydrophobicContact CE-CD2 3.79Å; M255-L643 HydrophobicContact SD-CD2 3.73Å; F598-L643 HydrophobicContact CE2-CD2 4.21Å; L602-L643 HydrophobicContact CD2-CB 3.91Å; L602-L643 HydrophobicContact CD2-CD1 3.81Å; L602-L643 HydrophobicContact CD2-CG 4.35Å; L602-L643 HydrophobicContact CG-CD1 4.15Å; F605-L643 HydrophobicContact CZ-CB 4.48Å; R639-L643 WeakPolarHBondContact O-CB 3.48Å; R639-L643 WeakPolarHBondContact O-CG 3.42Å; R639-L643 PolarHBondContact O-N 3.45Å; L643-K646 PolarHBondContact O-N 3.38Å; L643-L647 HydrophobicContact CB-CD1 4.38Å; L643-L647 VanDerWaalsContact O-CB 3.23Å; L643-L647 WeakPolarHBondContact O-CB 3.42Å; L643-L647 WeakPolarHBondContact O-CG 3.32Å; L643-L647 PolarHBondContact O-N 3.16Å
644	A	97.2	Very high	94.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-46.2	176.7	0	0	0	0	0	111.8	F605 F621 M640 K646 L647 T648 D649 K650 P652	F605-A644 HydrophobicContact CD1-CB 4Å; F605-A644 HydrophobicContact CE1-CB 3.77Å; F621-A644 HydrophobicContact CZ-CB 4.35Å; M640-A644 WeakPolarHBondContact O-CB 3.29Å; M640-A644 PolarHBondContact O-N 3.25Å; A644-K646 VanDerWaalsContact C-N 3.31Å; A644-K646 PolarHBondContact O-N 3.37Å; A644-L647 PolarHBondContact O-N 3.43Å; A644-T648 WeakPolarHBondContact O-CA 3.15Å; A644-T648 WeakPolarHBondContact O-CB 3.45Å; A644-T648 PolarHBondContact O-N 3.13Å; A644-T648 PolarHBondContact O-OG1 2.78Å; A644-D649 PolarHBondContact O-N 3.13Å; A644-K650 CarbonylContact C-O 3.6Å; A644-P652 HydrophobicContact CB-CB 3.79Å; A644-P652 HydrophobicContact CB-CG 4.14Å
645	Q	96.4	Very high	95.2	Very high	17 Å²	17	24.3 Å²	24.3	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-40.8	177.1	-74.1	-177.3	-50.3	0	0	111.1	V641 F642 D649 K650 L651	V641-Q645 HydrophobicContact CG1-CG 4.48Å; V641-Q645 WeakPolarHBondContact O-CB 3.4Å; V641-Q645 VanDerWaalsContact O-CG 3.3Å; V641-Q645 WeakPolarHBondContact O-CG 3.38Å; V641-Q645 PolarHBondContact O-N 3.2Å; F642-Q645 PolarHBondContact O-N 3.36Å; Q645-D649 VanDerWaalsContact O-CA 3.25Å; Q645-D649 WeakPolarHBondContact O-CA 3.44Å; Q645-D649 PolarHBondContact O-N 2.96Å; Q645-D649 VanDerWaalsContact O-N 3.11Å; Q645-K650 WeakPolarHBondContact CA-O 3.33Å; Q645-K650 PolarHBondContact N-O 3.49Å; Q645-L651 HydrophobicContact CG-CD2 3.97Å
646	K	96.1	Very high	95.9	Very high	56 Å²	56	23.4 Å²	23.4	24%	0.243	12%	0.118	C	C	.	.	H	α-helix	trans	-70.8	-37.9	-178.6	-177.7	64.7	-174	-175.4	0	113.6	M255 D258 T260 M494 F642 L643 A644	M255-K646 HydrophobicContact CE-CG 4.44Å; M255-K646 HydrophobicContact CG-CG 4.37Å; D258-K646 IonicContact OD1-NZ 2.77Å; D258-K646 WeakPolarHBondContact OD2-CE 3.33Å; D258-K646 IonicContact OD2-NZ 3.23Å; D258-K646 PolarHBondContact OD2-NZ 2.75Å; T260-K646 WeakPolarHBondContact OG1-CE 3.36Å; T260-K646 PolarHBondContact OG1-NZ 2.73Å; M494-K646 HydrophobicContact CG-CB 4.47Å; M494-K646 HydrophobicContact SD-CB 3.73Å; M494-K646 HydrophobicContact SD-CD 4.47Å; M494-K646 HydrophobicContact SD-CG 4.07Å; F642-K646 VanDerWaalsContact O-CB 3.22Å; F642-K646 WeakPolarHBondContact O-CB 3.45Å; F642-K646 PolarHBondContact O-N 3.46Å; L643-K646 PolarHBondContact O-N 3.38Å; A644-K646 VanDerWaalsContact C-N 3.31Å; A644-K646 PolarHBondContact O-N 3.37Å
647	L	96.5	Very high	96.1	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-98.6	-19	-171.9	-66	167.6	0	0	0	114.1	A251 R254 M255 L602 F605 W610 L643 A644	A251-L647 HydrophobicContact CB-CD1 3.59Å; A251-L647 HydrophobicContact CB-CD2 4.41Å; R254-L647 HydrophobicContact CB-CD2 4.36Å; M255-L647 HydrophobicContact CG-CD2 3.96Å; M255-L647 HydrophobicContact SD-CD1 4.4Å; M255-L647 HydrophobicContact SD-CD2 4.25Å; M255-L647 HydrophobicContact SD-CG 4.43Å; L602-L647 HydrophobicContact CD2-CD1 3.54Å; F605-L647 HydrophobicContact CE2-CD1 4.26Å; F605-L647 HydrophobicContact CZ-CB 4.5Å; F605-L647 HydrophobicContact CZ-CD1 4Å; W610-L647 HydrophobicContact CH2-CB 4.32Å; W610-L647 HydrophobicContact CH2-CD1 3.88Å; W610-L647 HydrophobicContact CH2-CD2 4.11Å; W610-L647 HydrophobicContact CH2-CG 4.34Å; W610-L647 HydrophobicContact CZ2-CB 3.9Å; W610-L647 HydrophobicContact CZ2-CD1 4.32Å; W610-L647 HydrophobicContact CZ2-CD2 4.19Å; W610-L647 HydrophobicContact CZ2-CG 4.37Å; W610-L647 HydrophobicContact CZ3-CD1 4.42Å; L643-L647 HydrophobicContact CB-CD1 4.38Å; L643-L647 VanDerWaalsContact O-CB 3.23Å; L643-L647 WeakPolarHBondContact O-CB 3.42Å; L643-L647 WeakPolarHBondContact O-CG 3.32Å; L643-L647 PolarHBondContact O-N 3.16Å; A644-L647 PolarHBondContact O-N 3.43Å
648	T	95.2	Very high	96	Very high	28 Å²	28	24.5 Å²	24.5	17%	0.172	12%	0.122	C	C	.	.	H	α-helix	trans	-132.2	-3.5	-175.3	73.2	0	0	0	0	114.5	F605 F621 A644 K650	F605-T648 HydrophobicContact CD2-CG2 4.17Å; F605-T648 HydrophobicContact CE2-CG2 4.38Å; F605-T648 HydrophobicContact CG-CG2 4.41Å; F621-T648 HydrophobicContact CE1-CG2 4.18Å; F621-T648 WeakPolarHBondContact CE1-OG1 3.21Å; F621-T648 HydrophobicContact CZ-CG2 4.4Å; F621-T648 WeakPolarHBondContact CZ-OG1 3.4Å; A644-T648 WeakPolarHBondContact O-CA 3.15Å; A644-T648 WeakPolarHBondContact O-CB 3.45Å; A644-T648 PolarHBondContact O-N 3.13Å; A644-T648 PolarHBondContact O-OG1 2.78Å; T648-K650 PolarHBondContact O-N 3.38Å; T648-K650 VanDerWaalsContact O-N 3.09Å; T648-K650 PolarHBondContact OG1-N 2.9Å
649	D	94.5	Very high	95.9	Very high	142 Å²	142	25.1 Å²	25.1	76%	0.759	13%	0.125	S	C	*	.	S	Bend	trans	56.1	20.1	-174.3	-62.6	-57.5	0	0	0	114.3	A644 Q645	A644-D649 PolarHBondContact O-N 3.13Å; Q645-D649 VanDerWaalsContact O-CA 3.25Å; Q645-D649 WeakPolarHBondContact O-CA 3.44Å; Q645-D649 PolarHBondContact O-N 2.96Å; Q645-D649 VanDerWaalsContact O-N 3.11Å
650	K	95.1	Very high	95.6	Very high	112 Å²	112	25 Å²	25	49%	0.487	13%	0.127	S	C	.	.	S	Bend	trans	-127.7	152.7	-179.2	-68	177.1	-176.9	179.8	0	110.6	F621 A644 Q645 T648	F621-K650 HydrophobicContact CD1-CD 4.37Å; F621-K650 HydrophobicContact CE1-CB 3.9Å; F621-K650 HydrophobicContact CE1-CD 3.97Å; F621-K650 HydrophobicContact CZ-CB 4.16Å; A644-K650 CarbonylContact C-O 3.6Å; Q645-K650 WeakPolarHBondContact CA-O 3.33Å; Q645-K650 PolarHBondContact N-O 3.49Å; T648-K650 PolarHBondContact O-N 3.38Å; T648-K650 VanDerWaalsContact O-N 3.09Å; T648-K650 PolarHBondContact OG1-N 2.9Å
651	L	96.8	Very high	95.1	Very high	23 Å²	23	25.9 Å²	25.9	12%	0.12	13%	0.132	C	C	.	.			trans	-71	146.6	168.6	-71.9	171	0	0	0	109.9	A501 R506 L507 P622 V641 Q645 F653	A501-L651 HydrophobicContact CB-CD1 4.3Å; A501-L651 HydrophobicContact CB-CD2 3.96Å; R506-L651 HydrophobicContact CB-CD1 3.71Å; L507-L651 HydrophobicContact CB-CD1 4.11Å; P622-L651 WeakPolarHBondContact CB-O 3.31Å; V641-L651 HydrophobicContact CG1-CD2 4.12Å; Q645-L651 HydrophobicContact CG-CD2 3.97Å; L651-F653 VanDerWaalsContact C-N 3.29Å; L651-F653 PolarHBondContact O-N 2.57Å
652	P	96.6	Very high	94.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.134	C	C	.	.	S	Bend	trans	-70.7	-29.4	179.2	29.4	-34.7	0	0	0	112.8	P604 G623 M640 V641 A644	P604-P652 HydrophobicContact CB-CB 3.88Å; P604-P652 HydrophobicContact CG-CB 3.63Å; G623-P652 PolarHBondContact N-O 3.1Å; M640-P652 HydrophobicContact CB-CB 4.44Å; M640-P652 HydrophobicContact CB-CG 4.22Å; V641-P652 HydrophobicContact CG2-CG 4Å; A644-P652 HydrophobicContact CB-CB 3.79Å; A644-P652 HydrophobicContact CB-CG 4.14Å
653	F	96.1	Very high	94.1	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	161.2	179.8	35.1	-100.5	0	0	0	109.5	L507 G623 L626 V637 M640 V641 L651 V656	L507-F653 HydrophobicContact CD1-CD2 3.78Å; L507-F653 HydrophobicContact CD1-CE2 3.95Å; L507-F653 WeakPolarHBondContact CD1-O 3.47Å; G623-F653 VanDerWaalsContact O-CA 3.26Å; G623-F653 WeakPolarHBondContact O-CA 3.45Å; L626-F653 HydrophobicContact CB-CB 4.49Å; L626-F653 HydrophobicContact CB-CD1 3.61Å; L626-F653 HydrophobicContact CB-CD2 4.05Å; L626-F653 HydrophobicContact CB-CE1 3.79Å; L626-F653 HydrophobicContact CB-CE2 4.23Å; L626-F653 HydrophobicContact CB-CG 3.75Å; L626-F653 HydrophobicContact CB-CZ 4.1Å; L626-F653 HydrophobicContact CD1-CE1 4.33Å; L626-F653 HydrophobicContact CD2-CD1 4.31Å; L626-F653 HydrophobicContact CD2-CE1 3.6Å; L626-F653 HydrophobicContact CD2-CE2 4.23Å; L626-F653 HydrophobicContact CD2-CZ 3.56Å; L626-F653 HydrophobicContact CG-CD1 4.37Å; L626-F653 HydrophobicContact CG-CE1 4.11Å; L626-F653 HydrophobicContact CG-CZ 4.41Å; V637-F653 HydrophobicContact CG1-CE2 4.04Å; V637-F653 HydrophobicContact CG1-CZ 3.85Å; M640-F653 HydrophobicContact CB-CE1 4.08Å; M640-F653 HydrophobicContact CB-CZ 4.25Å; M640-F653 HydrophobicContact CE-CE1 3.94Å; M640-F653 HydrophobicContact CE-CZ 4.22Å; M640-F653 HydrophobicContact SD-CE1 4Å; V641-F653 HydrophobicContact CG2-CE2 4.08Å; V641-F653 HydrophobicContact CG2-CZ 4.13Å; L651-F653 VanDerWaalsContact C-N 3.29Å; L651-F653 PolarHBondContact O-N 2.57Å; F653-V656 HydrophobicContact CD2-CG2 3.57Å; F653-V656 HydrophobicContact CE2-CG2 3.19Å; F653-V656 HydrophobicContact CZ-CG2 4.14Å
654	T	94.8	Very high	93.4	Very high	63 Å²	63	29.5 Å²	29.5	39%	0.387	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-24.4	180	67.2	0	0	0	0	113.4	L507 R508 G623 T624	L507-T654 WeakPolarHBondContact CA-O 3.2Å; R508-T654 PolarHBondContact N-O 3.36Å; G623-T654 PolarHBondContact O-N 2.95Å; T624-T654 PolarHBondContact O-N 2.86Å; T624-T654 PolarHBondContact O-OG1 3.32Å
655	T	96.5	Very high	92.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138	-177.6	-53.3	0	0	0	0	110	R508 L510 T624 L625 L626	R508-T655 HydrophobicContact CB-CG2 4.38Å; R508-T655 PolarHBondContact NE-OG1 2.89Å; R508-T655 PolarHBondContact NH2-OG1 3.02Å; R508-T655 CarbonylContact O-C 3.57Å; R508-T655 WeakPolarHBondContact O-CA 3.36Å; L510-T655 HydrophobicContact CD1-CG2 3.94Å; L510-T655 HydrophobicContact CG-CG2 4.39Å; T624-T655 PolarHBondContact O-N 2.79Å; L625-T655 CarbonylContact C-O 3.6Å; L625-T655 WeakPolarHBondContact CA-O 3.49Å; L625-T655 HydrophobicContact CD1-CG2 3.89Å; L626-T655 PolarHBondContact N-O 3Å
656	V	97.2	Very high	91.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.6	170.8	-179.4	0	0	0	0	108	L507 R508 I509 L510 L626 V637 F653 L658	L507-V656 HydrophobicContact CD1-CG2 4.01Å; R508-V656 PolarHBondContact O-N 2.82Å; I509-V656 HydrophobicContact CG1-CB 4.5Å; L510-V656 PolarHBondContact N-O 3.39Å; L626-V656 CarbonylContact O-C 3.55Å; L626-V656 VanDerWaalsContact O-CA 3.31Å; L626-V656 WeakPolarHBondContact O-CA 3.47Å; V637-V656 HydrophobicContact CG1-CG1 4.01Å; V637-V656 HydrophobicContact CG1-CG2 3.74Å; V637-V656 HydrophobicContact CG2-CG1 4.43Å; F653-V656 HydrophobicContact CD2-CG2 3.57Å; F653-V656 HydrophobicContact CE2-CG2 3.19Å; F653-V656 HydrophobicContact CZ-CG2 4.14Å; V656-L658 HydrophobicContact CG1-CD2 3.7Å; V656-L658 HydrophobicContact CG1-CG 3.99Å
657	Y	95.8	Very high	90.7	Very high	22 Å²	22	33.1 Å²	33.1	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120	171.3	179	-106.1	0	0	0	109.8	I153 L510 L626 E627 T628 H659 Y812 F814	I153-Y657 HydrophobicContact CD1-CE1 4.41Å; I153-Y657 HydrophobicContact CG2-CD1 4.32Å; I153-Y657 HydrophobicContact CG2-CE1 4.11Å; L510-Y657 HydrophobicContact CB-CD2 4.01Å; L626-Y657 PolarHBondContact O-N 2.93Å; E627-Y657 WeakPolarHBondContact CA-O 3.47Å; E627-Y657 HydrophobicContact CG-CD1 3.76Å; T628-Y657 PolarHBondContact N-O 2.74Å; Y657-H659 HydrophobicContact CE1-CB 4.13Å; Y657-Y812 HydrophobicContact CD1-CD1 4.35Å; Y657-Y812 AromaticContact CD2-CD1 3.74Å; Y657-Y812 HydrophobicContact CD2-CD1 3.74Å; Y657-Y812 AromaticContact CD2-CG 3.93Å; Y657-Y812 HydrophobicContact CD2-CG 3.93Å; Y657-Y812 HydrophobicContact CE2-CD1 4.17Å; Y657-Y812 HydrophobicContact CE2-CG 4.13Å; Y657-Y812 AromaticContact CG-CD1 3.84Å; Y657-Y812 HydrophobicContact CG-CD1 3.84Å; Y657-Y812 HydrophobicContact CG-CE1 4.36Å; Y657-Y812 HydrophobicContact CG-CG 4.49Å; Y657-Y812 PolarHBondContact OH-O 3.08Å; Y657-F814 AromaticContact CE1-CE2 3.73Å; Y657-F814 HydrophobicContact CE1-CE2 3.73Å; Y657-F814 HydrophobicContact CE1-CZ 4.47Å; Y657-F814 AromaticContact CZ-CE2 3.74Å; Y657-F814 WeakPolarHBondContact OH-CE2 3.12Å
658	L	93.9	Very high	89.6	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	106.7	-177.9	-60.5	175.4	0	0	0	110.4	I509 L510 P511 H514 T628 L633 V656	I509-L658 HydrophobicContact CG2-CD1 3.94Å; L510-L658 PolarHBondContact O-N 3.41Å; P511-L658 WeakPolarHBondContact CD-O 3.38Å; H514-L658 HydrophobicContact CB-CD1 3.84Å; T628-L658 HydrophobicContact CG2-CD2 3.72Å; T628-L658 CarbonylContact O-C 3.45Å; T628-L658 VanDerWaalsContact O-CA 3.22Å; T628-L658 WeakPolarHBondContact O-CA 3.31Å; L633-L658 HydrophobicContact CD1-CD1 3.88Å; L633-L658 HydrophobicContact CD1-CD2 4.28Å; L633-L658 HydrophobicContact CD2-CD1 3.9Å; L633-L658 HydrophobicContact CG-CD1 4.32Å; V656-L658 HydrophobicContact CG1-CD2 3.7Å; V656-L658 HydrophobicContact CG1-CG 3.99Å
659	H	91.8	Very high	88.4	Confident	14 Å²	14	37.9 Å²	37.9	7%	0.065	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	161.9	178	69.8	-108.7	0	0	0	112.9	I153 E627 T628 G629 Y630 Y657	I153-H659 HydrophobicContact CD1-CB 3.9Å; E627-H659 IonicContact OE1-CE1 2.7Å; E627-H659 PolarHBondContact OE1-CE1 3.08Å; E627-H659 IonicContact OE1-CG 2.73Å; E627-H659 IonicContact OE1-ND1 2.65Å; E627-H659 PolarHBondContact OE1-ND1 3.42Å; E627-H659 IonicContact OE2-CE1 3.11Å; E627-H659 IonicContact OE2-ND1 2.84Å; E627-H659 PolarHBondContact OE2-ND1 3.14Å; T628-H659 PolarHBondContact O-N 3.02Å; T628-H659 PolarHBondContact O-ND1 3.09Å; G629-H659 PolarHBondContact N-CE1 3.06Å; G629-H659 PolarHBondContact N-ND1 3.09Å; G629-H659 PolarHBondContact N-NE2 3.34Å; Y630-H659 PolarHBondContact N-O 2.94Å; Y657-H659 HydrophobicContact CE1-CB 4.13Å
660	S	88.1	Confident	87.4	Confident	19 Å²	19	31.9 Å²	31.9	13%	0.133	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-77.5	143.9	-179.9	-58.8	0	0	0	0	112.9	L149 S740 R741	L149-S660 WeakPolarHBondContact CD2-O 3.49Å; S660-S740 PolarHBondContact OG-O 3.16Å; S660-R741 WeakPolarHBondContact CA-O 3.39Å; S660-R741 WeakPolarHBondContact CB-O 3.43Å
661	I	88.1	Confident	85.9	Confident	20 Å²	20	26.9 Å²	26.9	10%	0.103	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.6	-174.5	-59.7	-64.6	0	0	0	111	Y630 D631 K669 R741 D742 I743	Y630-I661 HydrophobicContact CD1-CG1 3.95Å; Y630-I661 HydrophobicContact CE1-CB 4.18Å; Y630-I661 HydrophobicContact CE1-CD1 4.5Å; Y630-I661 HydrophobicContact CE1-CG1 3.42Å; Y630-I661 VanDerWaalsContact CE1-CG1 3.42Å; Y630-I661 HydrophobicContact CE2-CG1 4.42Å; D631-I661 HydrophobicContact CB-CD1 4.18Å; D631-I661 WeakPolarHBondContact OD1-CD1 3.28Å; I661-K669 HydrophobicContact CG2-CG 4.42Å; I661-R741 PolarHBondContact N-O 2.91Å; I661-D742 WeakPolarHBondContact O-CA 3.47Å; I661-I743 PolarHBondContact O-N 3.46Å
662	V	87.2	Confident	84.5	Confident	6 Å²	6	29.6 Å²	29.6	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.9	177.4	-161.9	0	0	0	0	111	L149 M670 I743 L745	L149-V662 HydrophobicContact CB-CG2 3.95Å; L149-V662 HydrophobicContact CD2-CG2 3.49Å; L149-V662 VanDerWaalsContact CD2-CG2 3.49Å; L149-V662 HydrophobicContact CG-CG2 4.34Å; V662-M670 HydrophobicContact CB-CE 3.74Å; V662-M670 HydrophobicContact CG1-CE 3.17Å; V662-I743 HydrophobicContact CG1-CG2 4.45Å; V662-L745 HydrophobicContact CG1-CB 3.72Å; V662-L745 HydrophobicContact CG1-CD2 4.32Å
663	R	85.5	Confident	82.5	Confident	57 Å²	57	30.4 Å²	30.4	22%	0.215	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	159.8	179	-57.7	-156.6	174.2	-133.7	2	110.8	G667 R668 D742 I743 L745	R663-G667 WeakPolarHBondContact CD-O 3.29Å; R663-G667 PolarHBondContact NH1-O 3.18Å; R663-G667 VanDerWaalsContact NH1-O 3.1Å; R663-R668 CarbonylContact C-O 3.57Å; R663-R668 WeakPolarHBondContact CA-O 3.44Å; R663-R668 WeakPolarHBondContact CB-O 3.33Å; R663-D742 HydrophobicContact CG-CB 4.23Å; R663-D742 IonicContact CZ-OD1 3.13Å; R663-D742 IonicContact CZ-OD2 3.74Å; R663-D742 IonicContact NE-OD1 2.68Å; R663-D742 PolarHBondContact NE-OD1 3.11Å; R663-D742 IonicContact NE-OD2 2.82Å; R663-D742 VanDerWaalsContact NH2-CG 3.31Å; R663-D742 IonicContact NH2-OD1 2.86Å; R663-D742 PolarHBondContact NH2-OD1 3.45Å; R663-D742 IonicContact NH2-OD2 3.69Å; R663-D742 PolarHBondContact NH2-OD2 2.89Å; R663-I743 PolarHBondContact N-O 3.45Å; R663-L745 PolarHBondContact O-N 2.97Å
664	D	80.9	Confident	81	Confident	13 Å²	13	31.3 Å²	31.3	7%	0.07	16%	0.162	C	C	.	.			trans	-64.8	170.1	170	74.2	12.7	0	0	0	111.1	H666 G667 R668 M670 N676	D664-H666 PolarHBondContact O-N 3.28Å; D664-H666 WeakPolarHBondContact OD1-CA 3.39Å; D664-H666 WeakPolarHBondContact OD1-CB 3.47Å; D664-H666 PolarHBondContact OD1-N 3.04Å; D664-G667 PolarHBondContact O-N 3.29Å; D664-G667 PolarHBondContact OD1-N 2.94Å; D664-G667 VanDerWaalsContact OD1-N 3.16Å; D664-R668 PolarHBondContact N-O 2.96Å; D664-R668 PolarHBondContact OD1-N 2.69Å; D664-R668 WeakPolarHBondContact OD2-CB 3.48Å; D664-R668 IonicContact OD2-CZ 3.79Å; D664-R668 IonicContact OD2-NE 3.59Å; D664-R668 PolarHBondContact OD2-NE 2.98Å; D664-R668 IonicContact OD2-NH2 2.85Å; D664-R668 PolarHBondContact OD2-NH2 3.34Å; D664-M670 HydrophobicContact CB-CG 4.49Å; D664-N676 HydrophobicContact CB-CB 4.42Å; D664-N676 PolarHBondContact OD2-ND2 3.36Å
665	A	77.5	Confident	79.8	Confident	44 Å²	44	28.6 Å²	28.6	36%	0.364	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-12.8	-178.9	0	0	0	0	0	114
666	H	78.2	Confident	78.9	Confident	84 Å²	84	29.4 Å²	29.4	39%	0.389	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	6.9	178.2	-51.2	-54.8	0	0	0	113.3	D664 R668 R715 D716	D664-H666 PolarHBondContact O-N 3.28Å; D664-H666 WeakPolarHBondContact OD1-CA 3.39Å; D664-H666 WeakPolarHBondContact OD1-CB 3.47Å; D664-H666 PolarHBondContact OD1-N 3.04Å; H666-R668 VanDerWaalsContact C-N 3.31Å; H666-R668 PolarHBondContact O-N 3.3Å; H666-R715 PolarHBondContact CD2-NH2 3.27Å; H666-R715 VanDerWaalsContact CD2-NH2 3.34Å; H666-R715 PolarHBondContact CE1-NH2 3.48Å; H666-R715 PolarHBondContact NE2-NH2 3.49Å; H666-D716 IonicContact CD2-OD2 3.15Å; H666-D716 IonicContact CE1-OD1 3.98Å; H666-D716 IonicContact NE2-OD1 2.62Å; H666-D716 PolarHBondContact NE2-OD1 2.84Å; H666-D716 VanDerWaalsContact NE2-OD1 3.14Å; H666-D716 IonicContact NE2-OD2 3.7Å; H666-D716 PolarHBondContact NE2-OD2 3.34Å
667	G	79.1	Confident	78.1	Confident	22 Å²	22	30.7 Å²	30.7	23%	0.227	16%	0.158	C	C	.	.	S	Bend	trans	75.9	15.9	-180	0	0	0	0	0	114.3	R663 D664 N744	R663-G667 WeakPolarHBondContact CD-O 3.29Å; R663-G667 PolarHBondContact NH1-O 3.18Å; R663-G667 VanDerWaalsContact NH1-O 3.1Å; D664-G667 PolarHBondContact O-N 3.29Å; D664-G667 PolarHBondContact OD1-N 2.94Å; D664-G667 VanDerWaalsContact OD1-N 3.16Å; G667-N744 WeakPolarHBondContact CA-OD1 3.37Å
668	R	72.5	Confident	77.8	Confident	91 Å²	91	30 Å²	30	34%	0.343	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-86.6	139.1	169	-53.7	-179	-63.1	172	0.9	108.9	R663 D664 H666 M670	R663-R668 CarbonylContact C-O 3.57Å; R663-R668 WeakPolarHBondContact CA-O 3.44Å; R663-R668 WeakPolarHBondContact CB-O 3.33Å; D664-R668 PolarHBondContact N-O 2.96Å; D664-R668 PolarHBondContact OD1-N 2.69Å; D664-R668 WeakPolarHBondContact OD2-CB 3.48Å; D664-R668 IonicContact OD2-CZ 3.79Å; D664-R668 IonicContact OD2-NE 3.59Å; D664-R668 PolarHBondContact OD2-NE 2.98Å; D664-R668 IonicContact OD2-NH2 2.85Å; D664-R668 PolarHBondContact OD2-NH2 3.34Å; H666-R668 VanDerWaalsContact C-N 3.31Å; H666-R668 PolarHBondContact O-N 3.3Å; R668-M670 PolarHBondContact O-N 3.08Å
669	K	69.8	Low	77.6	Confident	52 Å²	52	30.2 Å²	30.2	23%	0.226	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-55.6	135.5	174.8	-177	167.5	169.9	-163.1	0	109.7	D459 I661 S671 L674 N676	D459-K669 HydrophobicContact CB-CD 4.24Å; D459-K669 IonicContact OD1-NZ 3.31Å; D459-K669 PolarHBondContact OD1-NZ 3.13Å; D459-K669 WeakPolarHBondContact OD2-CD 3.06Å; D459-K669 WeakPolarHBondContact OD2-CE 3.35Å; D459-K669 IonicContact OD2-NZ 3.02Å; D459-K669 PolarHBondContact OD2-NZ 3.14Å; I661-K669 HydrophobicContact CG2-CG 4.42Å; K669-S671 PolarHBondContact O-N 3.49Å; K669-L674 WeakPolarHBondContact O-CD1 3.27Å; K669-N676 PolarHBondContact O-ND2 2.88Å
670	M	73.2	Confident	77.7	Confident	16 Å²	16	29.5 Å²	29.5	8%	0.079	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-71.4	121.1	173.3	-84.2	-167.9	-97.8	0	0	109.6	L145 V662 D664 R668 N676 V677	L145-M670 HydrophobicContact CB-CE 3.88Å; L145-M670 HydrophobicContact CB-SD 4.25Å; L145-M670 HydrophobicContact CD1-CE 4.18Å; L145-M670 HydrophobicContact CD1-SD 4.25Å; V662-M670 HydrophobicContact CB-CE 3.74Å; V662-M670 HydrophobicContact CG1-CE 3.17Å; D664-M670 HydrophobicContact CB-CG 4.49Å; R668-M670 PolarHBondContact O-N 3.08Å; M670-N676 WeakPolarHBondContact CA-OD1 3.39Å; M670-N676 WeakPolarHBondContact CG-O 3.32Å; M670-V677 HydrophobicContact CB-CG2 4.34Å
671	S	64.5	Low	78	Confident	7 Å²	7	29.8 Å²	29.8	5%	0.049	15%	0.154	C	C	.	.			trans	-146.5	146.5	178	83.5	0	0	0	0	112	D459 K669 S673 L674 G675 N676 V677	D459-S671 PolarHBondContact O-OG 2.8Å; K669-S671 PolarHBondContact O-N 3.49Å; S671-S673 PolarHBondContact O-N 2.81Å; S671-S673 VanDerWaalsContact O-N 3.08Å; S671-S673 PolarHBondContact OG-OG 2.83Å; S671-S673 VanDerWaalsContact OG-OG 3.13Å; S671-L674 PolarHBondContact O-N 3.42Å; S671-L674 VanDerWaalsContact O-N 3.13Å; S671-L674 WeakPolarHBondContact OG-CG 3.19Å; S671-L674 PolarHBondContact OG-N 3.09Å; S671-G675 PolarHBondContact O-N 2.91Å; S671-N676 PolarHBondContact N-OD1 3.21Å; S671-N676 PolarHBondContact O-OD1 3.21Å; S671-V677 WeakPolarHBondContact O-CG2 3.27Å
672	K	66.3	Low	78.3	Confident	81 Å²	81	29.6 Å²	29.6	35%	0.352	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.9	-179.1	-71	177.9	178.3	168.3	0	112.5	T142 V677 L701	T142-K672 VanDerWaalsContact O-CE 3.24Å; T142-K672 WeakPolarHBondContact O-CE 3.15Å; T142-K672 PolarHBondContact O-NZ 2.86Å; K672-V677 HydrophobicContact CG-CG2 4.19Å; K672-L701 WeakPolarHBondContact O-CD2 3.32Å
673	S	56.4	Low	78.6	Confident	18 Å²	18	29.3 Å²	29.3	13%	0.126	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-23.4	175.8	56.3	0	0	0	0	115.4	S458 S460 S671 L701 E705	S458-S673 VanDerWaalsContact C-OG 3.3Å; S458-S673 VanDerWaalsContact CB-CB 3.41Å; S458-S673 WeakPolarHBondContact CB-OG 3.49Å; S458-S673 PolarHBondContact O-OG 3.42Å; S458-S673 VanDerWaalsContact O-OG 3.08Å; S458-S673 WeakPolarHBondContact OG-CB 3.5Å; S458-S673 PolarHBondContact OG-OG 2.96Å; S460-S673 PolarHBondContact OG-OG 3.3Å; S671-S673 PolarHBondContact O-N 2.81Å; S671-S673 VanDerWaalsContact O-N 3.08Å; S671-S673 PolarHBondContact OG-OG 2.83Å; S671-S673 VanDerWaalsContact OG-OG 3.13Å; S673-L701 VanDerWaalsContact C-CD2 3.41Å; S673-L701 WeakPolarHBondContact O-CD2 3.19Å; S673-E705 WeakPolarHBondContact O-CG 3.47Å
674	L	63.7	Low	79	Confident	23 Å²	23	26.7 Å²	26.7	12%	0.12	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.9	174.1	-71.2	173	0	0	0	111.6	D459 S460 K669 S671 N676	D459-L674 WeakPolarHBondContact O-CD1 3.36Å; S460-L674 WeakPolarHBondContact OG-CD2 3.49Å; S460-L674 WeakPolarHBondContact OG-CG 3.27Å; K669-L674 WeakPolarHBondContact O-CD1 3.27Å; S671-L674 PolarHBondContact O-N 3.42Å; S671-L674 VanDerWaalsContact O-N 3.13Å; S671-L674 WeakPolarHBondContact OG-CG 3.19Å; S671-L674 PolarHBondContact OG-N 3.09Å; L674-N676 HydrophobicContact CB-CB 4.34Å; L674-N676 WeakPolarHBondContact CB-OD1 3.34Å; L674-N676 PolarHBondContact O-N 3.1Å; L674-N676 VanDerWaalsContact O-N 3.1Å
675	G	69.9	Low	79.6	Confident	5 Å²	5	30 Å²	30	5%	0.052	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	16.2	-173.6	0	0	0	0	0	113.2	S671 L696	S671-G675 PolarHBondContact O-N 2.91Å; G675-L696 WeakPolarHBondContact O-CD2 3.26Å
676	N	78.4	Confident	80.3	Confident	19 Å²	19	29.1 Å²	29.1	10%	0.102	15%	0.151	C	C	.	.			trans	-98.8	9.7	178.3	69.9	-14.5	0	0	0	112.5	D664 K669 M670 S671 L674	D664-N676 HydrophobicContact CB-CB 4.42Å; D664-N676 PolarHBondContact OD2-ND2 3.36Å; K669-N676 PolarHBondContact O-ND2 2.88Å; M670-N676 WeakPolarHBondContact CA-OD1 3.39Å; M670-N676 WeakPolarHBondContact CG-O 3.32Å; S671-N676 PolarHBondContact N-OD1 3.21Å; S671-N676 PolarHBondContact O-OD1 3.21Å; L674-N676 HydrophobicContact CB-CB 4.34Å; L674-N676 WeakPolarHBondContact CB-OD1 3.34Å; L674-N676 PolarHBondContact O-N 3.1Å; L674-N676 VanDerWaalsContact O-N 3.1Å
677	V	80.3	Confident	81.1	Confident	28 Å²	28	26.1 Å²	26.1	17%	0.17	14%	0.138	C	C	.	.			trans	-75.2	129.8	172.4	163.2	0	0	0	0	109.2	H144 M670 S671 K672	H144-V677 HydrophobicContact CB-CB 4.48Å; H144-V677 HydrophobicContact CB-CG1 3.45Å; H144-V677 VanDerWaalsContact CB-CG1 3.45Å; H144-V677 HydrophobicContact CB-CG2 4.37Å; M670-V677 HydrophobicContact CB-CG2 4.34Å; S671-V677 WeakPolarHBondContact O-CG2 3.27Å; K672-V677 HydrophobicContact CG-CG2 4.19Å
678	I	87.9	Confident	81.7	Confident	6 Å²	6	27.9 Å²	27.9	3%	0.031	15%	0.147	C	C	.	.			trans	-105.5	129.5	170.7	-57.1	-57.6	0	0	0	108.4	H144 L145 D682 V683 Y717 I721	H144-I678 WeakPolarHBondContact CA-O 3.44Å; L145-I678 HydrophobicContact CD1-CB 3.73Å; L145-I678 HydrophobicContact CD1-CG1 4.37Å; L145-I678 HydrophobicContact CD1-CG2 4.04Å; L145-I678 HydrophobicContact CG-CB 4.16Å; L145-I678 HydrophobicContact CG-CG2 4.4Å; L145-I678 PolarHBondContact N-O 3.24Å; I678-D682 HydrophobicContact CG2-CB 4.42Å; I678-V683 HydrophobicContact CG2-CG2 3.75Å; I678-Y717 HydrophobicContact CD1-CE2 4.01Å; I678-I721 HydrophobicContact CD1-CD1 4.16Å; I678-I721 HydrophobicContact CG2-CD1 3.89Å
679	D	91	Very high	82.5	Confident	9 Å²	9	24.9 Å²	24.9	5%	0.048	14%	0.138	C	C	.	.			trans	-69	132.2	171.4	-167.1	-47.7	0	0	0	108.4	Y219 Q223 L681 D682	Y219-D679 PolarHBondContact OH-OD2 3.37Å; Q223-D679 PolarHBondContact NE2-OD1 2.72Å; Q223-D679 PolarHBondContact NE2-OD2 3.18Å; D679-L681 PolarHBondContact O-N 3.24Å; D679-L681 VanDerWaalsContact O-N 3.17Å; D679-L681 WeakPolarHBondContact OD1-CB 3.46Å; D679-L681 WeakPolarHBondContact OD1-CG 3.43Å; D679-L681 PolarHBondContact OD1-N 3.4Å; D679-D682 HydrophobicContact CB-CB 4.37Å; D679-D682 VanDerWaalsContact CB-OD2 3.32Å; D679-D682 WeakPolarHBondContact CB-OD2 3.5Å; D679-D682 WeakPolarHBondContact O-CB 3.3Å; D679-D682 PolarHBondContact O-N 3.43Å
680	P	93.8	Very high	83.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-54.3	-34	175.8	-25.3	35.1	0	0	0	113	L143 A148 L227 D682 V683 I684 L729	L143-P680 HydrophobicContact CB-CG 4.47Å; A148-P680 HydrophobicContact CB-CB 4.07Å; A148-P680 HydrophobicContact CB-CG 3.87Å; L227-P680 HydrophobicContact CD1-CB 4.47Å; L227-P680 HydrophobicContact CD2-CB 4.1Å; P680-D682 VanDerWaalsContact C-N 3.28Å; P680-D682 PolarHBondContact O-N 3.15Å; P680-V683 PolarHBondContact O-N 3.42Å; P680-V683 VanDerWaalsContact O-N 3.16Å; P680-I684 WeakPolarHBondContact O-CG1 3.29Å; P680-I684 PolarHBondContact O-N 2.81Å; P680-L729 HydrophobicContact CB-CD2 4.09Å
681	L	94.1	Very high	84.3	Confident	25 Å²	25	27.6 Å²	27.6	13%	0.131	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-30.8	178.2	-62.5	-173.7	0	0	0	112.8	Q223 A226 D679 V683 I684 H685	Q223-L681 HydrophobicContact CG-CD1 3.82Å; Q223-L681 HydrophobicContact CG-CG 4.06Å; A226-L681 HydrophobicContact CB-CD2 3.45Å; A226-L681 VanDerWaalsContact CB-CD2 3.45Å; D679-L681 PolarHBondContact O-N 3.24Å; D679-L681 VanDerWaalsContact O-N 3.17Å; D679-L681 WeakPolarHBondContact OD1-CB 3.46Å; D679-L681 WeakPolarHBondContact OD1-CG 3.43Å; D679-L681 PolarHBondContact OD1-N 3.4Å; L681-V683 PolarHBondContact O-N 3.19Å; L681-I684 HydrophobicContact CD2-CD1 4.05Å; L681-I684 PolarHBondContact O-N 3.01Å; L681-H685 PolarHBondContact O-N 2.99Å
682	D	93.3	Very high	85.4	Confident	16 Å²	16	27.3 Å²	27.3	9%	0.086	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-31.3	176.7	-67.1	-24.8	0	0	0	111.2	I678 D679 P680 G686 I687 Q695	I678-D682 HydrophobicContact CG2-CB 4.42Å; D679-D682 HydrophobicContact CB-CB 4.37Å; D679-D682 VanDerWaalsContact CB-OD2 3.32Å; D679-D682 WeakPolarHBondContact CB-OD2 3.5Å; D679-D682 WeakPolarHBondContact O-CB 3.3Å; D679-D682 PolarHBondContact O-N 3.43Å; P680-D682 VanDerWaalsContact C-N 3.28Å; P680-D682 PolarHBondContact O-N 3.15Å; D682-G686 CarbonylContact O-C 3.57Å; D682-G686 WeakPolarHBondContact O-CA 3.37Å; D682-G686 PolarHBondContact O-N 3.42Å; D682-I687 HydrophobicContact CB-CB 4.23Å; D682-I687 HydrophobicContact CB-CG2 3.66Å; D682-I687 WeakPolarHBondContact OD1-CD1 3.45Å; D682-Q695 PolarHBondContact OD1-NE2 3.13Å; D682-Q695 PolarHBondContact OD2-NE2 2.86Å; D682-Q695 PolarHBondContact OD2-OE1 2.93Å
683	V	94.1	Very high	86.5	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-79.4	-38.4	174.2	-174.7	0	0	0	0	111.3	L145 I678 P680 L681 I721 C724 L729 V747 V750	L145-V683 HydrophobicContact CD2-CG2 4.09Å; I678-V683 HydrophobicContact CG2-CG2 3.75Å; P680-V683 PolarHBondContact O-N 3.42Å; P680-V683 VanDerWaalsContact O-N 3.16Å; L681-V683 PolarHBondContact O-N 3.19Å; V683-I721 HydrophobicContact CG2-CG2 4.37Å; V683-C724 HydrophobicContact CG1-CB 4.06Å; V683-C724 WeakPolarHBondContact O-CB 3.47Å; V683-C724 PolarHBondContact O-N 2.9Å; V683-L729 HydrophobicContact CB-CD2 4.43Å; V683-L729 HydrophobicContact CG1-CD1 4.12Å; V683-V747 HydrophobicContact CG1-CG1 4.14Å; V683-V747 HydrophobicContact CG2-CG1 3.77Å; V683-V750 HydrophobicContact CG1-CB 4.44Å; V683-V750 HydrophobicContact CG1-CG1 4.06Å
684	I	94.8	Very high	87.9	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-54.5	179.6	-66.8	163.7	0	0	0	110.4	L227 P680 L681 E723 G725 T726 L729	L227-I684 HydrophobicContact CD2-CD1 4.04Å; P680-I684 WeakPolarHBondContact O-CG1 3.29Å; P680-I684 PolarHBondContact O-N 2.81Å; L681-I684 HydrophobicContact CD2-CD1 4.05Å; L681-I684 PolarHBondContact O-N 3.01Å; I684-E723 WeakPolarHBondContact O-CG 3.2Å; I684-G725 PolarHBondContact O-N 3.28Å; I684-T726 VanDerWaalsContact CD1-OG1 3.32Å; I684-T726 WeakPolarHBondContact CD1-OG1 3.38Å; I684-T726 WeakPolarHBondContact CG1-OG1 3.45Å; I684-T726 WeakPolarHBondContact CG2-OG1 3.44Å; I684-L729 HydrophobicContact CD1-CD2 4.31Å; I684-L729 HydrophobicContact CG1-CD2 4.05Å
685	H	93.6	Very high	88.9	Confident	83 Å²	83	33.7 Å²	33.7	38%	0.384	19%	0.191	S	C	.	.	H	α-helix	trans	-92.4	-14.8	-172.9	-59.4	-46.2	0	0	0	114.3	L681	L681-H685 PolarHBondContact O-N 2.99Å
686	G	92.4	Very high	89.3	Confident	25 Å²	25	34.1 Å²	34.1	26%	0.258	19%	0.192	S	C	.	.			trans	77.1	150.8	-169.9	0	0	0	0	0	112	D682 I721	D682-G686 CarbonylContact O-C 3.57Å; D682-G686 WeakPolarHBondContact O-CA 3.37Å; D682-G686 PolarHBondContact O-N 3.42Å; G686-I721 CarbonylContact C-O 3.49Å; G686-I721 VanDerWaalsContact CA-O 3.25Å; G686-I721 WeakPolarHBondContact CA-O 3.3Å
687	I	93.1	Very high	89.2	Confident	22 Å²	22	38.3 Å²	38.3	11%	0.113	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-146.5	139.3	179.1	-172.1	166.1	0	0	0	110.6	D682 A691 L692 G720 I721	D682-I687 HydrophobicContact CB-CB 4.23Å; D682-I687 HydrophobicContact CB-CG2 3.66Å; D682-I687 WeakPolarHBondContact OD1-CD1 3.45Å; I687-A691 HydrophobicContact CD1-CB 3.83Å; I687-A691 HydrophobicContact CG1-CB 3.54Å; I687-L692 HydrophobicContact CB-CG 4.43Å; I687-L692 HydrophobicContact CD1-CD2 4.24Å; I687-L692 HydrophobicContact CD1-CG 4.03Å; I687-L692 HydrophobicContact CG1-CG 4.07Å; I687-L692 HydrophobicContact CG2-CD1 3.77Å; I687-L692 HydrophobicContact CG2-CD2 3.84Å; I687-L692 HydrophobicContact CG2-CG 3.56Å; I687-G720 CarbonylContact O-C 3.42Å; I687-G720 WeakPolarHBondContact O-CA 3.46Å; I687-I721 HydrophobicContact CG2-CB 3.91Å; I687-I721 HydrophobicContact CG2-CD1 4.08Å; I687-I721 HydrophobicContact CG2-CG1 4.23Å; I687-I721 PolarHBondContact N-O 3.1Å; I687-I721 PolarHBondContact O-N 3.2Å
688	S	93.2	Very high	88.8	Confident	58 Å²	58	40.8 Å²	40.8	41%	0.406	23%	0.229	S	C	.	.			trans	-73.8	154.1	174.9	69.7	0	0	0	0	111.3	S690 A691 L692	S688-S690 PolarHBondContact O-N 3.33Å; S688-S690 PolarHBondContact OG-OG 3.49Å; S688-S690 VanDerWaalsContact OG-OG 3.08Å; S688-A691 PolarHBondContact O-N 3.49Å; S688-A691 VanDerWaalsContact O-N 3.09Å; S688-A691 WeakPolarHBondContact OG-CB 3.44Å; S688-A691 PolarHBondContact OG-N 3.07Å; S688-L692 PolarHBondContact O-N 3.29Å
689	L	89.8	Confident	87.8	Confident	29 Å²	29	41.9 Å²	41.9	15%	0.152	24%	0.242	C	C	.	.	H	α-helix	trans	-56.2	-36.3	175	-178.7	62.1	0	0	0	112.4	L692 H693 Q713 R714	L689-L692 PolarHBondContact O-N 3.3Å; L689-H693 WeakPolarHBondContact CD1-NE2 3.45Å; L689-H693 PolarHBondContact O-CD2 2.9Å; L689-H693 VanDerWaalsContact O-CG 3.3Å; L689-H693 PolarHBondContact O-N 3.44Å; L689-Q713 HydrophobicContact CD1-CB 4.17Å; L689-R714 HydrophobicContact CD2-CB 4.46Å; L689-R714 HydrophobicContact CD2-CG 4.39Å
690	S	90.5	Very high	86.4	Confident	89 Å²	89	44.5 Å²	44.5	62%	0.622	26%	0.256	S	S	*	.	H	α-helix	trans	-67.1	-37.9	178	64.6	0	0	0	0	112.7	S688 H693 K694	S688-S690 PolarHBondContact O-N 3.33Å; S688-S690 PolarHBondContact OG-OG 3.49Å; S688-S690 VanDerWaalsContact OG-OG 3.08Å; S690-H693 PolarHBondContact O-N 2.8Å; S690-K694 PolarHBondContact O-N 3.28Å; S690-K694 VanDerWaalsContact O-N 3.08Å
691	A	90.3	Very high	85.1	Confident	36 Å²	36	45.9 Å²	45.9	30%	0.298	26%	0.263	S	S	.	.	H	α-helix	trans	-71.5	-38.9	176.9	0	0	0	0	0	111.7	I687 S688 H693 K694 Q695	I687-A691 HydrophobicContact CD1-CB 3.83Å; I687-A691 HydrophobicContact CG1-CB 3.54Å; S688-A691 PolarHBondContact O-N 3.49Å; S688-A691 VanDerWaalsContact O-N 3.09Å; S688-A691 WeakPolarHBondContact OG-CB 3.44Å; S688-A691 PolarHBondContact OG-N 3.07Å; A691-H693 VanDerWaalsContact C-N 3.35Å; A691-H693 PolarHBondContact O-N 3.31Å; A691-K694 WeakPolarHBondContact O-CB 3.44Å; A691-K694 PolarHBondContact O-N 2.89Å; A691-K694 VanDerWaalsContact O-N 3.13Å; A691-Q695 PolarHBondContact O-N 3Å
692	L	87.1	Confident	83.7	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-57	-46.9	170.7	-83.6	165.5	0	0	0	111.7	I687 S688 L689 K694 Q695 L696 Y717 I721	I687-L692 HydrophobicContact CB-CG 4.43Å; I687-L692 HydrophobicContact CD1-CD2 4.24Å; I687-L692 HydrophobicContact CD1-CG 4.03Å; I687-L692 HydrophobicContact CG1-CG 4.07Å; I687-L692 HydrophobicContact CG2-CD1 3.77Å; I687-L692 HydrophobicContact CG2-CD2 3.84Å; I687-L692 HydrophobicContact CG2-CG 3.56Å; S688-L692 PolarHBondContact O-N 3.29Å; L689-L692 PolarHBondContact O-N 3.3Å; L692-K694 VanDerWaalsContact C-N 3.28Å; L692-K694 PolarHBondContact O-N 2.91Å; L692-Q695 PolarHBondContact O-N 2.82Å; L692-L696 PolarHBondContact O-N 3.48Å; L692-Y717 HydrophobicContact CD1-CD2 4.46Å; L692-I721 HydrophobicContact CD1-CD1 4.16Å; L692-I721 HydrophobicContact CD1-CG1 4.13Å; L692-I721 HydrophobicContact CD2-CD1 4.35Å
693	H	88.3	Confident	82.6	Confident	30 Å²	30	48.1 Å²	48.1	14%	0.139	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-38.5	175.5	-74	-176.8	0	0	0	112.3	L689 S690 A691 L696 E697 K710 Q713	L689-H693 WeakPolarHBondContact CD1-NE2 3.45Å; L689-H693 PolarHBondContact O-CD2 2.9Å; L689-H693 VanDerWaalsContact O-CG 3.3Å; L689-H693 PolarHBondContact O-N 3.44Å; S690-H693 PolarHBondContact O-N 2.8Å; A691-H693 VanDerWaalsContact C-N 3.35Å; A691-H693 PolarHBondContact O-N 3.31Å; H693-L696 WeakPolarHBondContact O-CB 3.4Å; H693-L696 PolarHBondContact O-N 2.8Å; H693-E697 WeakPolarHBondContact O-CG 3.37Å; H693-E697 PolarHBondContact O-N 2.77Å; H693-K710 HydrophobicContact CB-CG 4.43Å; H693-K710 PolarHBondContact NE2-O 3.43Å; H693-Q713 PolarHBondContact CD2-OE1 2.85Å
694	K	86.9	Confident	81.4	Confident	150 Å²	150	50.5 Å²	50.5	65%	0.652	31%	0.309	S	S	*	.	H	α-helix	trans	-69.5	-35.8	178.7	-166.1	177.1	-178.2	-179.5	0	112.2	S690 A691 L692 L696 E697 S698	S690-K694 PolarHBondContact O-N 3.28Å; S690-K694 VanDerWaalsContact O-N 3.08Å; A691-K694 WeakPolarHBondContact O-CB 3.44Å; A691-K694 PolarHBondContact O-N 2.89Å; A691-K694 VanDerWaalsContact O-N 3.13Å; L692-K694 VanDerWaalsContact C-N 3.28Å; L692-K694 PolarHBondContact O-N 2.91Å; K694-L696 VanDerWaalsContact C-N 3.35Å; K694-E697 PolarHBondContact O-N 3.04Å; K694-S698 PolarHBondContact O-N 3.36Å
695	Q	83.5	Confident	80.2	Confident	76 Å²	76	51.5 Å²	51.5	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-43.3	172.8	-76.1	173.8	-26.5	0	0	111.1	D682 A691 L692 E697 S698 G699	D682-Q695 PolarHBondContact OD1-NE2 3.13Å; D682-Q695 PolarHBondContact OD2-NE2 2.86Å; D682-Q695 PolarHBondContact OD2-OE1 2.93Å; A691-Q695 PolarHBondContact O-N 3Å; L692-Q695 PolarHBondContact O-N 2.82Å; Q695-E697 VanDerWaalsContact C-N 3.32Å; Q695-E697 PolarHBondContact O-N 3.42Å; Q695-S698 PolarHBondContact O-N 3.38Å; Q695-S698 PolarHBondContact O-OG 2.94Å; Q695-G699 PolarHBondContact O-N 3.18Å
696	L	79.3	Confident	79.5	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.068	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-41.9	175.1	-69.4	176.8	0	0	0	112.5	G675 L692 H693 K694 S698 G699 L701 A709 K710	G675-L696 WeakPolarHBondContact O-CD2 3.26Å; L692-L696 PolarHBondContact O-N 3.48Å; H693-L696 WeakPolarHBondContact O-CB 3.4Å; H693-L696 PolarHBondContact O-N 2.8Å; K694-L696 VanDerWaalsContact C-N 3.35Å; L696-S698 VanDerWaalsContact C-N 3.33Å; L696-S698 PolarHBondContact O-N 2.83Å; L696-G699 PolarHBondContact O-N 3.47Å; L696-L701 HydrophobicContact CD2-CD1 3.7Å; L696-A709 HydrophobicContact CD1-CB 3.67Å; L696-A709 HydrophobicContact CD2-CB 4.09Å; L696-K710 HydrophobicContact CD1-CG 3.94Å
697	E	76.2	Confident	78.9	Confident	108 Å²	108	50.5 Å²	50.5	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-66.5	-33.3	177.8	-70.8	172.3	178.6	0	0	112.9	H693 K694 Q695 G699 K710	H693-E697 WeakPolarHBondContact O-CG 3.37Å; H693-E697 PolarHBondContact O-N 2.77Å; K694-E697 PolarHBondContact O-N 3.04Å; Q695-E697 VanDerWaalsContact C-N 3.32Å; Q695-E697 PolarHBondContact O-N 3.42Å; E697-G699 VanDerWaalsContact C-N 3.25Å; E697-G699 PolarHBondContact O-N 3.07Å; E697-K710 IonicContact OE1-NZ 3.64Å; E697-K710 PolarHBondContact OE1-NZ 3.48Å
698	S	72.2	Confident	78.3	Confident	79 Å²	79	56.5 Å²	56.5	55%	0.552	34%	0.335	S	S	*	.	H	α-helix	trans	-73.1	-20.3	176.6	77.7	0	0	0	0	113.2	R191 K694 Q695 L696	R191-S698 PolarHBondContact NH1-O 2.94Å; K694-S698 PolarHBondContact O-N 3.36Å; Q695-S698 PolarHBondContact O-N 3.38Å; Q695-S698 PolarHBondContact O-OG 2.94Å; L696-S698 VanDerWaalsContact C-N 3.33Å; L696-S698 PolarHBondContact O-N 2.83Å
699	G	66.4	Low	77.6	Confident	29 Å²	29	54.1 Å²	54.1	30%	0.299	32%	0.319	S	S	.	.	S	Bend	trans	-71.4	-179.1	-177.2	0	0	0	0	0	114.9	R191 Q695 L696 E697 L701	R191-G699 PolarHBondContact NH1-O 2.83Å; R191-G699 VanDerWaalsContact NH1-O 3.1Å; Q695-G699 PolarHBondContact O-N 3.18Å; L696-G699 PolarHBondContact O-N 3.47Å; E697-G699 VanDerWaalsContact C-N 3.25Å; E697-G699 PolarHBondContact O-N 3.07Å; G699-L701 VanDerWaalsContact C-N 3.33Å
700	N	62.2	Low	77.5	Confident	65 Å²	65	55.3 Å²	55.3	35%	0.348	32%	0.323	S	S	.	.	S	Bend	trans	-97	27.9	179.6	-76.3	-21.3	0	0	0	112.6	K187	K187-N700 HydrophobicContact CD-CB 3.91Å
701	L	66.3	Low	77.2	Confident	29 Å²	29	56.7 Å²	56.7	15%	0.152	32%	0.32	C	S	.	.			trans	-85.7	148.4	-177.1	-72.4	163.7	0	0	0	111.7	K672 S673 L696 G699 E705 I706	K672-L701 WeakPolarHBondContact O-CD2 3.32Å; S673-L701 VanDerWaalsContact C-CD2 3.41Å; S673-L701 WeakPolarHBondContact O-CD2 3.19Å; L696-L701 HydrophobicContact CD2-CD1 3.7Å; G699-L701 VanDerWaalsContact C-N 3.33Å; L701-E705 HydrophobicContact CD2-CB 4.49Å; L701-E705 HydrophobicContact CD2-CG 4.16Å; L701-I706 HydrophobicContact CB-CD1 4.19Å; L701-I706 HydrophobicContact CB-CG1 3.6Å; L701-I706 HydrophobicContact CD1-CG1 4.48Å
702	G	64.2	Low	76.8	Confident	21 Å²	21	55.6 Å²	55.6	22%	0.216	31%	0.312	C	S	.	.			trans	-72.9	145.1	170.5	0	0	0	0	0	111.6	A704 E705 I706	G702-A704 VanDerWaalsContact C-N 3.29Å; G702-A704 PolarHBondContact O-N 2.95Å; G702-A704 VanDerWaalsContact O-N 3.15Å; G702-E705 WeakPolarHBondContact O-CA 3.37Å; G702-E705 PolarHBondContact O-N 2.8Å; G702-I706 PolarHBondContact O-N 2.76Å
703	A	70.2	Confident	76.6	Confident	66 Å²	66	56.2 Å²	56.2	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-45.3	-43.6	178.9	0	0	0	0	0	115.2	F466 E705 I706 A707	F466-A703 HydrophobicContact CZ-CB 4.17Å; A703-E705 VanDerWaalsContact C-N 3.34Å; A703-E705 PolarHBondContact O-N 2.75Å; A703-I706 PolarHBondContact O-N 2.95Å; A703-A707 PolarHBondContact O-N 3.17Å
704	A	69.3	Low	76.5	Confident	51 Å²	51	61.9 Å²	61.9	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-37.3	177.6	0	0	0	0	0	112.5	V464 G702 A707 R708	V464-A704 HydrophobicContact CG1-CB 3.71Å; V464-A704 HydrophobicContact CG2-CB 4.13Å; G702-A704 VanDerWaalsContact C-N 3.29Å; G702-A704 PolarHBondContact O-N 2.95Å; G702-A704 VanDerWaalsContact O-N 3.15Å; A704-A707 PolarHBondContact O-N 2.8Å; A704-R708 PolarHBondContact O-N 3.48Å; A704-R708 VanDerWaalsContact O-N 3.08Å
705	E	69.3	Low	76.5	Confident	21 Å²	21	62 Å²	62	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-76.3	-34.2	178.2	-160	60.4	-153.5	0	0	111.1	S673 L701 G702 A703 A707 R708 A709	S673-E705 WeakPolarHBondContact O-CG 3.47Å; L701-E705 HydrophobicContact CD2-CB 4.49Å; L701-E705 HydrophobicContact CD2-CG 4.16Å; G702-E705 WeakPolarHBondContact O-CA 3.37Å; G702-E705 PolarHBondContact O-N 2.8Å; A703-E705 VanDerWaalsContact C-N 3.34Å; A703-E705 PolarHBondContact O-N 2.75Å; E705-A707 VanDerWaalsContact C-N 3.28Å; E705-A707 PolarHBondContact O-N 2.99Å; E705-R708 PolarHBondContact O-N 3.29Å; E705-R708 IonicContact OE1-NH1 2.67Å; E705-R708 IonicContact OE2-CZ 3.41Å; E705-R708 IonicContact OE2-NH1 3.32Å; E705-R708 PolarHBondContact OE2-NH1 2.9Å; E705-A709 WeakPolarHBondContact O-CB 3.48Å; E705-A709 PolarHBondContact O-N 2.87Å
706	I	77.9	Confident	76.4	Confident	27 Å²	27	60 Å²	60	14%	0.138	32%	0.323	C	S	.	.	H	α-helix	trans	-57.4	-45.2	169.1	-65.6	172.9	0	0	0	109.8	L701 G702 A703 A709 K710	L701-I706 HydrophobicContact CB-CD1 4.19Å; L701-I706 HydrophobicContact CB-CG1 3.6Å; L701-I706 HydrophobicContact CD1-CG1 4.48Å; G702-I706 PolarHBondContact O-N 2.76Å; A703-I706 PolarHBondContact O-N 2.95Å; I706-A709 PolarHBondContact O-N 2.77Å; I706-K710 HydrophobicContact CG2-CD 4.1Å; I706-K710 HydrophobicContact CG2-CG 4.37Å; I706-K710 WeakPolarHBondContact O-CB 3.24Å; I706-K710 VanDerWaalsContact O-CG 3.24Å; I706-K710 WeakPolarHBondContact O-CG 3.37Å; I706-K710 PolarHBondContact O-N 2.92Å
707	A	80.9	Confident	76.8	Confident	61 Å²	61	60.3 Å²	60.3	50%	0.504	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-44.6	178.1	0	0	0	0	0	112.1	A703 A704 E705 K710 E711	A703-A707 PolarHBondContact O-N 3.17Å; A704-A707 PolarHBondContact O-N 2.8Å; E705-A707 VanDerWaalsContact C-N 3.28Å; E705-A707 PolarHBondContact O-N 2.99Å; A707-K710 PolarHBondContact O-N 3.16Å; A707-E711 PolarHBondContact O-N 2.87Å
708	R	79.8	Confident	77.4	Confident	147 Å²	147	59 Å²	59	56%	0.555	32%	0.324	S	S	*	.	H	α-helix	trans	-66.1	-41.6	177.8	-170.2	-177.1	-70.1	158.7	-9.3	112.5	A704 E705 E711 G712	A704-R708 PolarHBondContact O-N 3.48Å; A704-R708 VanDerWaalsContact O-N 3.08Å; E705-R708 PolarHBondContact O-N 3.29Å; E705-R708 IonicContact OE1-NH1 2.67Å; E705-R708 IonicContact OE2-CZ 3.41Å; E705-R708 IonicContact OE2-NH1 3.32Å; E705-R708 PolarHBondContact OE2-NH1 2.9Å; R708-E711 PolarHBondContact O-N 3.03Å; R708-G712 PolarHBondContact O-N 2.87Å
709	A	79.8	Confident	78.1	Confident	9 Å²	9	62.8 Å²	62.8	7%	0.074	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-41.2	177.7	0	0	0	0	0	111.4	L696 E705 I706 E711 G712 Q713	L696-A709 HydrophobicContact CD1-CB 3.67Å; L696-A709 HydrophobicContact CD2-CB 4.09Å; E705-A709 WeakPolarHBondContact O-CB 3.48Å; E705-A709 PolarHBondContact O-N 2.87Å; I706-A709 PolarHBondContact O-N 2.77Å; A709-E711 VanDerWaalsContact C-N 3.35Å; A709-E711 PolarHBondContact O-N 2.86Å; A709-G712 PolarHBondContact O-N 2.96Å; A709-Q713 WeakPolarHBondContact O-CB 3.12Å; A709-Q713 WeakPolarHBondContact O-CG 3.35Å; A709-Q713 PolarHBondContact O-N 3.33Å
710	K	85.8	Confident	79.2	Confident	54 Å²	54	61.7 Å²	61.7	24%	0.235	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-42.4	172.7	-75.7	-179.5	176.2	-175.3	0	112.2	H693 L696 E697 I706 A707 Q713 R714	H693-K710 HydrophobicContact CB-CG 4.43Å; H693-K710 PolarHBondContact NE2-O 3.43Å; L696-K710 HydrophobicContact CD1-CG 3.94Å; E697-K710 IonicContact OE1-NZ 3.64Å; E697-K710 PolarHBondContact OE1-NZ 3.48Å; I706-K710 HydrophobicContact CG2-CD 4.1Å; I706-K710 HydrophobicContact CG2-CG 4.37Å; I706-K710 WeakPolarHBondContact O-CB 3.24Å; I706-K710 VanDerWaalsContact O-CG 3.24Å; I706-K710 WeakPolarHBondContact O-CG 3.37Å; I706-K710 PolarHBondContact O-N 2.92Å; A707-K710 PolarHBondContact O-N 3.16Å; K710-Q713 PolarHBondContact O-N 3.49Å; K710-R714 WeakPolarHBondContact O-CB 3.33Å; K710-R714 PolarHBondContact O-N 2.83Å
711	E	84.8	Confident	80.6	Confident	118 Å²	118	58.9 Å²	58.9	55%	0.551	31%	0.312	S	S	*	.	H	α-helix	trans	-65.3	-42	176.5	-172.8	58.3	-154.4	0	0	111.7	A707 R708 A709 R714 R715	A707-E711 PolarHBondContact O-N 2.87Å; R708-E711 PolarHBondContact O-N 3.03Å; A709-E711 VanDerWaalsContact C-N 3.35Å; A709-E711 PolarHBondContact O-N 2.86Å; E711-R714 PolarHBondContact O-N 3.48Å; E711-R715 PolarHBondContact O-N 3.13Å
712	G	81.9	Confident	81.8	Confident	13 Å²	13	59.2 Å²	59.2	13%	0.134	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-51.4	172.5	0	0	0	0	0	112.3	R708 A709 R714 R715 D716	R708-G712 PolarHBondContact O-N 2.87Å; A709-G712 PolarHBondContact O-N 2.96Å; G712-R714 VanDerWaalsContact C-N 3.31Å; G712-R714 PolarHBondContact O-N 2.89Å; G712-R715 PolarHBondContact O-N 3.01Å; G712-R715 VanDerWaalsContact O-N 3.1Å; G712-D716 WeakPolarHBondContact O-CB 3.2Å; G712-D716 PolarHBondContact O-N 3.11Å
713	Q	83.9	Confident	83.2	Confident	13 Å²	13	59.3 Å²	59.3	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-38.1	177.8	-74.3	-179.8	-10.7	0	0	112.5	L689 H693 A709 K710 R715 Y717	L689-Q713 HydrophobicContact CD1-CB 4.17Å; H693-Q713 PolarHBondContact CD2-OE1 2.85Å; A709-Q713 WeakPolarHBondContact O-CB 3.12Å; A709-Q713 WeakPolarHBondContact O-CG 3.35Å; A709-Q713 PolarHBondContact O-N 3.33Å; K710-Q713 PolarHBondContact O-N 3.49Å; Q713-R715 VanDerWaalsContact C-N 3.33Å; Q713-R715 PolarHBondContact O-N 3.44Å; Q713-Y717 HydrophobicContact CB-CD2 4.48Å; Q713-Y717 HydrophobicContact CG-CD2 4.49Å; Q713-Y717 CarbonylContact O-C 3.59Å; Q713-Y717 WeakPolarHBondContact O-CA 3.39Å; Q713-Y717 WeakPolarHBondContact O-CB 3.36Å; Q713-Y717 PolarHBondContact O-N 3.09Å
714	R	86.6	Confident	84.4	Confident	149 Å²	149	56.1 Å²	56.1	56%	0.562	28%	0.284	S	S	*	.	H	α-helix	trans	-66.4	-35.3	176.4	-178.8	179.4	-95.1	167	-9.3	112.2	L689 K710 E711 G712 P718	L689-R714 HydrophobicContact CD2-CB 4.46Å; L689-R714 HydrophobicContact CD2-CG 4.39Å; K710-R714 WeakPolarHBondContact O-CB 3.33Å; K710-R714 PolarHBondContact O-N 2.83Å; E711-R714 PolarHBondContact O-N 3.48Å; G712-R714 VanDerWaalsContact C-N 3.31Å; G712-R714 PolarHBondContact O-N 2.89Å; R714-P718 WeakPolarHBondContact O-CA 2.97Å
715	R	85	Confident	85.6	Confident	154 Å²	154	53.7 Å²	53.7	58%	0.581	26%	0.264	S	S	*	.	H	α-helix	trans	-72.1	-45.3	176	-177.9	178.6	65.9	-160.1	-4.1	111.8	H666 E711 G712 Q713	H666-R715 PolarHBondContact CD2-NH2 3.27Å; H666-R715 VanDerWaalsContact CD2-NH2 3.34Å; H666-R715 PolarHBondContact CE1-NH2 3.48Å; H666-R715 PolarHBondContact NE2-NH2 3.49Å; E711-R715 PolarHBondContact O-N 3.13Å; G712-R715 PolarHBondContact O-N 3.01Å; G712-R715 VanDerWaalsContact O-N 3.1Å; Q713-R715 VanDerWaalsContact C-N 3.33Å; Q713-R715 PolarHBondContact O-N 3.44Å
716	D	83.2	Confident	87	Confident	33 Å²	33	52.7 Å²	52.7	18%	0.176	26%	0.26	C	S	.	.	H	α-helix	trans	-84	-32	-170.6	-56.9	-18.1	0	0	0	111.5	H666 G712	H666-D716 IonicContact CD2-OD2 3.15Å; H666-D716 IonicContact CE1-OD1 3.98Å; H666-D716 IonicContact NE2-OD1 2.62Å; H666-D716 PolarHBondContact NE2-OD1 2.84Å; H666-D716 VanDerWaalsContact NE2-OD1 3.14Å; H666-D716 IonicContact NE2-OD2 3.7Å; H666-D716 PolarHBondContact NE2-OD2 3.34Å; G712-D716 WeakPolarHBondContact O-CB 3.2Å; G712-D716 PolarHBondContact O-N 3.11Å
717	Y	87.4	Confident	87.9	Confident	19 Å²	19	51.4 Å²	51.4	8%	0.075	25%	0.253	C	S	.	.			trans	-131.6	63.5	-176.5	-44.9	-59	0	0	0	111.7	I678 L692 Q713 D719 G720 I721 V747	I678-Y717 HydrophobicContact CD1-CE2 4.01Å; L692-Y717 HydrophobicContact CD1-CD2 4.46Å; Q713-Y717 HydrophobicContact CB-CD2 4.48Å; Q713-Y717 HydrophobicContact CG-CD2 4.49Å; Q713-Y717 CarbonylContact O-C 3.59Å; Q713-Y717 WeakPolarHBondContact O-CA 3.39Å; Q713-Y717 WeakPolarHBondContact O-CB 3.36Å; Q713-Y717 PolarHBondContact O-N 3.09Å; Y717-D719 PolarHBondContact O-N 3.3Å; Y717-D719 VanDerWaalsContact O-N 3.15Å; Y717-G720 PolarHBondContact O-N 3.44Å; Y717-I721 HydrophobicContact CD1-CG1 3.85Å; Y717-I721 HydrophobicContact CD2-CD1 4.48Å; Y717-I721 HydrophobicContact CD2-CG1 4.28Å; Y717-I721 HydrophobicContact CE1-CG1 4.2Å; Y717-I721 HydrophobicContact CE2-CD1 4.42Å; Y717-I721 HydrophobicContact CG-CG1 3.9Å; Y717-V747 HydrophobicContact CE1-CB 3.91Å; Y717-V747 HydrophobicContact CE1-CG2 4.32Å; Y717-V747 WeakPolarHBondContact OH-CG2 2.92Å
718	P	87.6	Confident	88.7	Confident	81 Å²	81	48.5 Å²	48.5	53%	0.526	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.2	-174.7	22.6	-33.6	0	0	0	113.4	R714	R714-P718 WeakPolarHBondContact O-CA 2.97Å
719	D	87.7	Confident	89.5	Confident	158 Å²	158	41.5 Å²	41.5	85%	0.845	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	8.8	178.3	-62.3	-43.3	0	0	0	112.9	Y717	Y717-D719 PolarHBondContact O-N 3.3Å; Y717-D719 VanDerWaalsContact O-N 3.15Å
720	G	89.5	Confident	90.3	Very high	6 Å²	6	41.1 Å²	41.1	6%	0.062	20%	0.199	C	C	.	.			trans	84.2	-174	-166.8	0	0	0	0	0	113.2	I687 Y717	I687-G720 CarbonylContact O-C 3.42Å; I687-G720 WeakPolarHBondContact O-CA 3.46Å; Y717-G720 PolarHBondContact O-N 3.44Å
721	I	91.4	Very high	90.8	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-93.1	122.9	177	-62.2	170.3	0	0	0	108	I678 V683 G686 I687 L692 Y717 V747	I678-I721 HydrophobicContact CD1-CD1 4.16Å; I678-I721 HydrophobicContact CG2-CD1 3.89Å; V683-I721 HydrophobicContact CG2-CG2 4.37Å; G686-I721 CarbonylContact C-O 3.49Å; G686-I721 VanDerWaalsContact CA-O 3.25Å; G686-I721 WeakPolarHBondContact CA-O 3.3Å; I687-I721 HydrophobicContact CG2-CB 3.91Å; I687-I721 HydrophobicContact CG2-CD1 4.08Å; I687-I721 HydrophobicContact CG2-CG1 4.23Å; I687-I721 PolarHBondContact N-O 3.1Å; I687-I721 PolarHBondContact O-N 3.2Å; L692-I721 HydrophobicContact CD1-CD1 4.16Å; L692-I721 HydrophobicContact CD1-CG1 4.13Å; L692-I721 HydrophobicContact CD2-CD1 4.35Å; Y717-I721 HydrophobicContact CD1-CG1 3.85Å; Y717-I721 HydrophobicContact CD2-CD1 4.48Å; Y717-I721 HydrophobicContact CD2-CG1 4.28Å; Y717-I721 HydrophobicContact CE1-CG1 4.2Å; Y717-I721 HydrophobicContact CE2-CD1 4.42Å; Y717-I721 HydrophobicContact CG-CG1 3.9Å; I721-V747 HydrophobicContact CD1-CG1 4.46Å; I721-V747 HydrophobicContact CG1-CG1 4.48Å; I721-V747 HydrophobicContact CG2-CG1 3.73Å
722	P	92.5	Very high	91.3	Very high	36 Å²	36	33 Å²	33	23%	0.234	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-68.5	145.8	177	29.3	-34	0	0	0	110.7	C724 L748 Q751	P722-C724 PolarHBondContact O-N 2.94Å; P722-C724 PolarHBondContact O-SG 3.39Å; P722-L748 HydrophobicContact CG-CD2 4.44Å; P722-Q751 HydrophobicContact CG-CB 4.41Å; P722-Q751 HydrophobicContact CG-CG 4.28Å
723	E	93.3	Very high	91.9	Very high	23 Å²	23	32.4 Å²	32.4	11%	0.107	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-56.2	124	170	-176.7	-168	74.9	0	0	109.1	P95 R96 I684 R754	P95-E723 HydrophobicContact CG-CG 4.44Å; R96-E723 WeakPolarHBondContact CG-OE2 3.4Å; R96-E723 IonicContact CZ-OE2 2.72Å; R96-E723 IonicContact NE-OE2 2.82Å; R96-E723 PolarHBondContact NE-OE2 3.47Å; R96-E723 IonicContact NH2-OE2 3.42Å; I684-E723 WeakPolarHBondContact O-CG 3.2Å; E723-R754 WeakPolarHBondContact O-CD 3.19Å; E723-R754 PolarHBondContact O-NH1 2.9Å; E723-R754 IonicContact OE1-CZ 3Å; E723-R754 IonicContact OE1-NH1 3.91Å; E723-R754 PolarHBondContact OE1-NH1 3.1Å; E723-R754 IonicContact OE1-NH2 3.96Å
724	C	94.3	Very high	92.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.			trans	-112	-30.9	178.8	-66.9	0	0	0	0	112.7	V683 P722 A728 V750	V683-C724 HydrophobicContact CG1-CB 4.06Å; V683-C724 WeakPolarHBondContact O-CB 3.47Å; V683-C724 PolarHBondContact O-N 2.9Å; P722-C724 PolarHBondContact O-N 2.94Å; P722-C724 PolarHBondContact O-SG 3.39Å; C724-A728 HydrophobicContact CB-CB 4.29Å; C724-A728 WeakPolarHBondContact O-CB 3.42Å; C724-V750 HydrophobicContact CB-CG1 3.85Å
725	G	95.5	Very high	92.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.			trans	83.6	161.7	-168.5	0	0	0	0	0	113.4	E99 I684 L729	E99-G725 VanDerWaalsContact OE1-CA 3.3Å; E99-G725 WeakPolarHBondContact OE1-CA 3.18Å; I684-G725 PolarHBondContact O-N 3.28Å; G725-L729 PolarHBondContact O-N 3.12Å
726	T	97.2	Very high	93	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67	-45.3	-177	-67.1	0	0	0	0	112.3	E99 A226 L227 I684 A728 L729 R730 F873	E99-T726 PolarHBondContact OE1-N 3.2Å; A226-T726 WeakPolarHBondContact O-CG2 3.45Å; A226-T726 PolarHBondContact O-OG1 3.2Å; L227-T726 VanDerWaalsContact C-CG2 3.45Å; L227-T726 VanDerWaalsContact O-CG2 3.27Å; L227-T726 WeakPolarHBondContact O-CG2 3.48Å; I684-T726 VanDerWaalsContact CD1-OG1 3.32Å; I684-T726 WeakPolarHBondContact CD1-OG1 3.38Å; I684-T726 WeakPolarHBondContact CG1-OG1 3.45Å; I684-T726 WeakPolarHBondContact CG2-OG1 3.44Å; T726-A728 VanDerWaalsContact C-N 3.33Å; T726-A728 PolarHBondContact O-N 3.31Å; T726-L729 PolarHBondContact O-N 3.33Å; T726-R730 HydrophobicContact CG2-CG 4.15Å; T726-R730 VanDerWaalsContact O-CG 3.31Å; T726-R730 WeakPolarHBondContact O-CG 3.45Å; T726-R730 PolarHBondContact O-N 3.38Å; T726-F873 HydrophobicContact CG2-CD2 4.08Å; T726-F873 HydrophobicContact CG2-CE2 3.62Å
727	D	97.9	Very high	93.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-41.4	-178.8	-72	-26.6	0	0	0	112.4	F731 M871 P872 F873 I874	D727-F731 VanDerWaalsContact O-CB 3.28Å; D727-F731 WeakPolarHBondContact O-CB 3Å; D727-F731 PolarHBondContact O-N 3.41Å; D727-M871 HydrophobicContact CB-CB 3.76Å; D727-M871 HydrophobicContact CB-CG 3.88Å; D727-M871 HydrophobicContact CB-SD 4.33Å; D727-M871 WeakPolarHBondContact OD1-CA 3.27Å; D727-P872 WeakPolarHBondContact OD1-CD 3.48Å; D727-P872 VanDerWaalsContact OD1-N 3.08Å; D727-F873 PolarHBondContact OD1-N 2.82Å; D727-F873 VanDerWaalsContact OD1-N 3.11Å; D727-F873 WeakPolarHBondContact OD2-CB 3.43Å; D727-F873 PolarHBondContact OD2-N 2.79Å; D727-I874 HydrophobicContact CB-CG2 4.41Å; D727-I874 VanDerWaalsContact OD2-CB 3.28Å; D727-I874 WeakPolarHBondContact OD2-CB 3.34Å; D727-I874 VanDerWaalsContact OD2-CG2 3.26Å; D727-I874 WeakPolarHBondContact OD2-CG2 3.2Å; D727-I874 PolarHBondContact OD2-N 3.41Å
728	A	97.1	Very high	92.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-42.9	177.3	0	0	0	0	0	111.3	C724 T726 A732 V750 R754	C724-A728 HydrophobicContact CB-CB 4.29Å; C724-A728 WeakPolarHBondContact O-CB 3.42Å; T726-A728 VanDerWaalsContact C-N 3.33Å; T726-A728 PolarHBondContact O-N 3.31Å; A728-A732 VanDerWaalsContact O-CB 3.24Å; A728-A732 WeakPolarHBondContact O-CB 2.95Å; A728-A732 PolarHBondContact O-N 3.38Å; A728-V750 HydrophobicContact CB-CG1 4.29Å; A728-R754 HydrophobicContact CB-CB 4.25Å
729	L	96.7	Very high	92.1	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-52.1	177	174.4	60	0	0	0	111.5	L145 A148 L227 P680 V683 I684 G725 T726 F731 A732 L733 V750	L145-L729 HydrophobicContact CD2-CD1 3.81Å; L145-L729 HydrophobicContact CD2-CD2 4.4Å; A148-L729 HydrophobicContact CB-CD2 4.48Å; L227-L729 HydrophobicContact CD2-CD2 3.96Å; P680-L729 HydrophobicContact CB-CD2 4.09Å; V683-L729 HydrophobicContact CB-CD2 4.43Å; V683-L729 HydrophobicContact CG1-CD1 4.12Å; I684-L729 HydrophobicContact CD1-CD2 4.31Å; I684-L729 HydrophobicContact CG1-CD2 4.05Å; G725-L729 PolarHBondContact O-N 3.12Å; T726-L729 PolarHBondContact O-N 3.33Å; L729-F731 PolarHBondContact O-N 3.01Å; L729-A732 PolarHBondContact O-N 2.79Å; L729-L733 HydrophobicContact CD1-CD1 3.71Å; L729-L733 HydrophobicContact CD1-CG 3.98Å; L729-L733 HydrophobicContact CG-CD1 3.85Å; L729-L733 VanDerWaalsContact O-CG 3.26Å; L729-L733 WeakPolarHBondContact O-CG 3.38Å; L729-L733 PolarHBondContact O-N 2.91Å; L729-V750 HydrophobicContact CB-CG1 4.33Å
730	R	97.3	Very high	91.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-49.1	-179.2	-69.4	171.8	60.5	130.4	1.3	112.1	D155 L227 G228 T726 A732 L733 C734 P869 F870	D155-R730 IonicContact OD2-CZ 2.71Å; D155-R730 IonicContact OD2-NH1 3.62Å; D155-R730 PolarHBondContact OD2-NH1 2.97Å; D155-R730 IonicContact OD2-NH2 3.22Å; D155-R730 PolarHBondContact OD2-NH2 2.85Å; L227-R730 WeakPolarHBondContact O-CD 3.35Å; L227-R730 PolarHBondContact O-NH1 3.28Å; G228-R730 PolarHBondContact O-NH1 3.08Å; T726-R730 HydrophobicContact CG2-CG 4.15Å; T726-R730 VanDerWaalsContact O-CG 3.31Å; T726-R730 WeakPolarHBondContact O-CG 3.45Å; T726-R730 PolarHBondContact O-N 3.38Å; R730-A732 VanDerWaalsContact C-N 3.31Å; R730-A732 PolarHBondContact O-N 2.93Å; R730-L733 PolarHBondContact O-N 3.41Å; R730-C734 PolarHBondContact O-N 3.02Å; R730-P869 PolarHBondContact NH2-O 3.1Å; R730-F870 WeakPolarHBondContact CB-O 3.19Å; R730-F870 PolarHBondContact NE-O 3.48Å
731	F	96.9	Very high	90.7	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-39.5	-179.8	-166.9	-89	0	0	0	111.8	D727 L729 A735 Y753 F756 T818 C821 H822 L867 F870 M871	D727-F731 VanDerWaalsContact O-CB 3.28Å; D727-F731 WeakPolarHBondContact O-CB 3Å; D727-F731 PolarHBondContact O-N 3.41Å; L729-F731 PolarHBondContact O-N 3.01Å; F731-A735 VanDerWaalsContact O-CB 3.26Å; F731-A735 WeakPolarHBondContact O-CB 3.43Å; F731-A735 PolarHBondContact O-N 3.49Å; F731-Y753 AromaticContact CD1-CD1 3.38Å; F731-Y753 HydrophobicContact CD1-CD1 3.38Å; F731-Y753 AromaticContact CD1-CE1 3.53Å; F731-Y753 HydrophobicContact CD1-CE1 3.53Å; F731-Y753 HydrophobicContact CD1-CG 4.14Å; F731-Y753 AromaticContact CE1-CD1 3.71Å; F731-Y753 HydrophobicContact CE1-CD1 3.71Å; F731-Y753 AromaticContact CE1-CE1 3.56Å; F731-Y753 HydrophobicContact CE1-CE1 3.56Å; F731-F756 HydrophobicContact CE1-CD1 4.35Å; F731-F756 HydrophobicContact CE1-CE1 4.2Å; F731-F756 HydrophobicContact CE2-CE1 4.39Å; F731-F756 AromaticContact CZ-CE1 3.96Å; F731-F756 HydrophobicContact CZ-CE1 3.96Å; F731-T818 HydrophobicContact CD1-CG2 4.48Å; F731-T818 HydrophobicContact CD2-CG2 4.04Å; F731-T818 HydrophobicContact CE1-CG2 4.33Å; F731-T818 HydrophobicContact CE2-CG2 3.85Å; F731-T818 HydrophobicContact CG-CG2 4.38Å; F731-T818 HydrophobicContact CZ-CG2 4.03Å; F731-T818 VanDerWaalsContact CZ-O 3.28Å; F731-T818 WeakPolarHBondContact CZ-O 3.37Å; F731-C821 HydrophobicContact CE2-CB 4.39Å; F731-H822 HydrophobicContact CE1-CB 4.42Å; F731-H822 HydrophobicContact CZ-CB 4.19Å; F731-L867 HydrophobicContact CD2-CD1 3.95Å; F731-L867 HydrophobicContact CE2-CD1 3.46Å; F731-L867 VanDerWaalsContact CE2-CD1 3.46Å; F731-L867 HydrophobicContact CZ-CD1 4.36Å; F731-F870 HydrophobicContact CD2-CB 3.76Å; F731-F870 HydrophobicContact CD2-CG 4.31Å; F731-F870 HydrophobicContact CE2-CB 4.5Å; F731-M871 HydrophobicContact CB-CE 3.33Å; F731-M871 HydrophobicContact CB-CG 4.1Å; F731-M871 HydrophobicContact CD1-CE 3.9Å; F731-M871 HydrophobicContact CD2-CE 3.58Å; F731-M871 HydrophobicContact CD2-CG 4Å; F731-M871 HydrophobicContact CD2-SD 4.32Å; F731-M871 HydrophobicContact CE2-CE 4.29Å; F731-M871 HydrophobicContact CG-CE 3.33Å; F731-M871 HydrophobicContact CG-CG 4.41Å
732	A	95.1	Very high	90.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-47.4	174.7	0	0	0	0	0	111.7	A728 L729 R730 C734 A735 Y736 V750 Y753	A728-A732 VanDerWaalsContact O-CB 3.24Å; A728-A732 WeakPolarHBondContact O-CB 2.95Å; A728-A732 PolarHBondContact O-N 3.38Å; L729-A732 PolarHBondContact O-N 2.79Å; R730-A732 VanDerWaalsContact C-N 3.31Å; R730-A732 PolarHBondContact O-N 2.93Å; A732-C734 PolarHBondContact O-N 3.21Å; A732-A735 PolarHBondContact O-N 3.46Å; A732-Y736 WeakPolarHBondContact O-CD2 3.3Å; A732-Y736 PolarHBondContact O-N 2.63Å; A732-V750 HydrophobicContact CB-CB 4.35Å; A732-V750 HydrophobicContact CB-CG1 4.18Å; A732-V750 HydrophobicContact CB-CG2 3.92Å; A732-Y753 HydrophobicContact CB-CD2 3.43Å; A732-Y753 VanDerWaalsContact CB-CD2 3.43Å; A732-Y753 HydrophobicContact CB-CE2 3.71Å; A732-Y753 HydrophobicContact CB-CG 4.27Å
733	L	94.5	Very high	89.9	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-45.9	-179.7	-70.3	168.4	0	0	0	111.5	A148 L149 L729 R730 Y736 L745	A148-L733 HydrophobicContact CB-CD1 3.65Å; L149-L733 HydrophobicContact CB-CD2 4.3Å; L149-L733 HydrophobicContact CD1-CB 3.88Å; L149-L733 WeakPolarHBondContact CD1-O 3.44Å; L729-L733 HydrophobicContact CD1-CD1 3.71Å; L729-L733 HydrophobicContact CD1-CG 3.98Å; L729-L733 HydrophobicContact CG-CD1 3.85Å; L729-L733 VanDerWaalsContact O-CG 3.26Å; L729-L733 WeakPolarHBondContact O-CG 3.38Å; L729-L733 PolarHBondContact O-N 2.91Å; R730-L733 PolarHBondContact O-N 3.41Å; L733-Y736 PolarHBondContact O-N 3.48Å; L733-L745 HydrophobicContact CD2-CD1 4.38Å; L733-L745 HydrophobicContact CD2-CD2 4.05Å
734	C	94.9	Very high	89.5	Confident	1 Å²	1	25 Å²	25	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-67.4	-33.8	176.1	-67.3	0	0	0	0	113.1	R730 A732 Y736 T737 F814 T818 F870	R730-C734 PolarHBondContact O-N 3.02Å; A732-C734 PolarHBondContact O-N 3.21Å; C734-Y736 VanDerWaalsContact C-N 3.29Å; C734-Y736 PolarHBondContact O-N 3.27Å; C734-T737 PolarHBondContact O-N 3.39Å; C734-T737 PolarHBondContact O-OG1 3.05Å; C734-F814 HydrophobicContact CB-CB 4.23Å; C734-T818 HydrophobicContact CB-CG2 4.03Å; C734-F870 HydrophobicContact CB-CD1 3.7Å; C734-F870 HydrophobicContact CB-CE1 3.69Å
735	A	93.6	Very high	88.9	Confident	18 Å²	18	25.1 Å²	25.1	15%	0.149	15%	0.146	C	C	.	.	H	α-helix	trans	-68	-30.6	176.2	0	0	0	0	0	112.5	F731 A732 T737 Y753 N815 T818	F731-A735 VanDerWaalsContact O-CB 3.26Å; F731-A735 WeakPolarHBondContact O-CB 3.43Å; F731-A735 PolarHBondContact O-N 3.49Å; A732-A735 PolarHBondContact O-N 3.46Å; A735-T737 VanDerWaalsContact C-N 3.31Å; A735-T737 PolarHBondContact O-N 3.48Å; A735-Y753 WeakPolarHBondContact CB-OH 3.4Å; A735-N815 WeakPolarHBondContact O-CB 3.35Å; A735-T818 WeakPolarHBondContact CA-OG1 3.46Å; A735-T818 HydrophobicContact CB-CG2 4.35Å; A735-T818 WeakPolarHBondContact CB-OG1 3.31Å
736	Y	90	Very high	88.4	Confident	17 Å²	17	27.6 Å²	27.6	7%	0.067	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-78.1	-10.5	-178.5	-92.3	-112.5	0	0	0	114.2	A732 L733 C734 G738 Q739 I743 N744 L745 R749	A732-Y736 WeakPolarHBondContact O-CD2 3.3Å; A732-Y736 PolarHBondContact O-N 2.63Å; L733-Y736 PolarHBondContact O-N 3.48Å; C734-Y736 VanDerWaalsContact C-N 3.29Å; C734-Y736 PolarHBondContact O-N 3.27Å; Y736-G738 PolarHBondContact O-N 3.1Å; Y736-G738 VanDerWaalsContact O-N 3.1Å; Y736-Q739 PolarHBondContact O-N 3.31Å; Y736-Q739 VanDerWaalsContact O-N 3.16Å; Y736-I743 HydrophobicContact CD1-CG2 3.71Å; Y736-I743 HydrophobicContact CG-CG2 4.16Å; Y736-N744 WeakPolarHBondContact CE1-O 3.47Å; Y736-L745 HydrophobicContact CD1-CD1 3.95Å; Y736-L745 HydrophobicContact CD2-CD1 4.26Å; Y736-L745 HydrophobicContact CE1-CD1 4.01Å; Y736-L745 HydrophobicContact CE2-CD1 4.29Å; Y736-L745 HydrophobicContact CG-CD1 4.06Å; Y736-R749 VanDerWaalsContact OH-CB 3.26Å; Y736-R749 WeakPolarHBondContact OH-CB 3.35Å; Y736-R749 WeakPolarHBondContact OH-CD 3.37Å; Y736-R749 WeakPolarHBondContact OH-CG 3.34Å; Y736-R749 PolarHBondContact OH-NH1 3.31Å
737	T	86.2	Confident	87.7	Confident	19 Å²	19	27.7 Å²	27.7	12%	0.117	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-65.3	-11.2	179	61.2	0	0	0	0	113.9	L149 I153 C734 A735 Q739 F814	L149-T737 HydrophobicContact CD1-CG2 4.01Å; I153-T737 HydrophobicContact CD1-CG2 4.12Å; C734-T737 PolarHBondContact O-N 3.39Å; C734-T737 PolarHBondContact O-OG1 3.05Å; A735-T737 VanDerWaalsContact C-N 3.31Å; A735-T737 PolarHBondContact O-N 3.48Å; T737-Q739 PolarHBondContact O-N 3.11Å; T737-F814 HydrophobicContact CG2-CD2 4.44Å
738	G	77.1	Confident	87	Confident	51 Å²	51	31 Å²	31	53%	0.526	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-68.6	-8.5	171.9	0	0	0	0	0	114.5	Y736	Y736-G738 PolarHBondContact O-N 3.1Å; Y736-G738 VanDerWaalsContact O-N 3.1Å
739	Q	74.6	Confident	86.4	Confident	63 Å²	63	38.1 Å²	38.1	29%	0.294	20%	0.204	S	C	.	.	S	Bend	trans	-79.1	149.7	171.9	-61.1	-177.8	27	0	0	110.5	Y736 T737 D742 I743 N744	Y736-Q739 PolarHBondContact O-N 3.31Å; Y736-Q739 VanDerWaalsContact O-N 3.16Å; T737-Q739 PolarHBondContact O-N 3.11Å; Q739-D742 PolarHBondContact OE1-O 3.48Å; Q739-I743 HydrophobicContact CB-CG1 4.41Å; Q739-N744 VanDerWaalsContact OE1-N 3.12Å
740	S	72.8	Confident	86.1	Confident	109 Å²	109	38.1 Å²	38.1	76%	0.762	20%	0.204	S	C	*	.	S	Bend	trans	-63.5	-93.2	-167	61.8	0	0	0	0	114.5	S660	S660-S740 PolarHBondContact OG-O 3.16Å
741	R	76.6	Confident	85.8	Confident	120 Å²	120	41.3 Å²	41.3	45%	0.453	22%	0.219	S	C	.	.	S	Bend	trans	-95.8	-29.7	-178	-92.3	-173.7	172.4	-173.1	-3.2	113.8	Y630 S660 I661	Y630-R741 WeakPolarHBondContact CE1-O 3.4Å; S660-R741 WeakPolarHBondContact CA-O 3.39Å; S660-R741 WeakPolarHBondContact CB-O 3.43Å; I661-R741 PolarHBondContact N-O 2.91Å
742	D	82.7	Confident	85.6	Confident	49 Å²	49	43.1 Å²	43.1	26%	0.262	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.8	-172.5	-68.4	-64.1	0	0	0	109.2	Y630 I661 R663 Q739	Y630-D742 PolarHBondContact OH-OD1 3.49Å; I661-D742 WeakPolarHBondContact O-CA 3.47Å; R663-D742 HydrophobicContact CG-CB 4.23Å; R663-D742 IonicContact CZ-OD1 3.13Å; R663-D742 IonicContact CZ-OD2 3.74Å; R663-D742 IonicContact NE-OD1 2.68Å; R663-D742 PolarHBondContact NE-OD1 3.11Å; R663-D742 IonicContact NE-OD2 2.82Å; R663-D742 VanDerWaalsContact NH2-CG 3.31Å; R663-D742 IonicContact NH2-OD1 2.86Å; R663-D742 PolarHBondContact NH2-OD1 3.45Å; R663-D742 IonicContact NH2-OD2 3.69Å; R663-D742 PolarHBondContact NH2-OD2 2.89Å; Q739-D742 PolarHBondContact OE1-O 3.48Å
743	I	83.5	Confident	85.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	107.3	178.9	-65.5	171.1	0	0	0	108.3	L149 I661 V662 R663 Y736 Q739 L745	L149-I743 HydrophobicContact CD2-CD1 3.65Å; I661-I743 PolarHBondContact O-N 3.46Å; V662-I743 HydrophobicContact CG1-CG2 4.45Å; R663-I743 PolarHBondContact N-O 3.45Å; Y736-I743 HydrophobicContact CD1-CG2 3.71Å; Y736-I743 HydrophobicContact CG-CG2 4.16Å; Q739-I743 HydrophobicContact CB-CG1 4.41Å; I743-L745 HydrophobicContact CG2-CB 4.49Å; I743-L745 PolarHBondContact O-N 3.36Å; I743-L745 VanDerWaalsContact O-N 3.17Å
744	N	85.9	Confident	85.6	Confident	73 Å²	73	48.1 Å²	48.1	39%	0.39	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	96	172.4	-66.4	-20.4	0	0	0	108.6	G667 Y736 Q739	G667-N744 WeakPolarHBondContact CA-OD1 3.37Å; Y736-N744 WeakPolarHBondContact CE1-O 3.47Å; Q739-N744 VanDerWaalsContact OE1-N 3.12Å
745	L	81.3	Confident	85.6	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.016	28%	0.281	C	S	.	.			trans	-87.8	123.9	-176.5	-169.8	78.4	0	0	0	110.6	L145 V662 R663 L733 Y736 I743	L145-L745 HydrophobicContact CD1-CD2 3.73Å; V662-L745 HydrophobicContact CG1-CB 3.72Å; V662-L745 HydrophobicContact CG1-CD2 4.32Å; R663-L745 PolarHBondContact O-N 2.97Å; L733-L745 HydrophobicContact CD2-CD1 4.38Å; L733-L745 HydrophobicContact CD2-CD2 4.05Å; Y736-L745 HydrophobicContact CD1-CD1 3.95Å; Y736-L745 HydrophobicContact CD2-CD1 4.26Å; Y736-L745 HydrophobicContact CE1-CD1 4.01Å; Y736-L745 HydrophobicContact CE2-CD1 4.29Å; Y736-L745 HydrophobicContact CG-CD1 4.06Å; I743-L745 HydrophobicContact CG2-CB 4.49Å; I743-L745 PolarHBondContact O-N 3.36Å; I743-L745 VanDerWaalsContact O-N 3.17Å
746	D	84.1	Confident	85.7	Confident	52 Å²	52	53 Å²	53	28%	0.278	28%	0.275	S	S	.	.			trans	-100.7	110.1	165.9	172.3	9.1	0	0	0	108.1	L748 R749	D746-L748 PolarHBondContact O-N 3.31Å; D746-L748 WeakPolarHBondContact OD1-CB 3.45Å; D746-L748 PolarHBondContact OD1-N 2.76Å; D746-R749 HydrophobicContact CB-CG 4.02Å; D746-R749 WeakPolarHBondContact O-CB 3.35Å; D746-R749 PolarHBondContact O-N 2.9Å
747	V	82.7	Confident	86	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-29.5	-178.7	179.5	0	0	0	0	111.1	L145 V683 Y717 I721 R749 V750	L145-V747 HydrophobicContact CD1-CG2 4.04Å; V683-V747 HydrophobicContact CG1-CG1 4.14Å; V683-V747 HydrophobicContact CG2-CG1 3.77Å; Y717-V747 HydrophobicContact CE1-CB 3.91Å; Y717-V747 HydrophobicContact CE1-CG2 4.32Å; Y717-V747 WeakPolarHBondContact OH-CG2 2.92Å; I721-V747 HydrophobicContact CD1-CG1 4.46Å; I721-V747 HydrophobicContact CG1-CG1 4.48Å; I721-V747 HydrophobicContact CG2-CG1 3.73Å; V747-R749 PolarHBondContact O-N 3.13Å; V747-V750 WeakPolarHBondContact O-CB 3.31Å; V747-V750 WeakPolarHBondContact O-CG2 3.13Å; V747-V750 PolarHBondContact O-N 2.62Å
748	L	82.9	Confident	86.5	Confident	68 Å²	68	53.8 Å²	53.8	36%	0.356	28%	0.279	S	S	.	.	H	α-helix	trans	-69.4	-22.1	177.3	-63.1	176.7	0	0	0	112.5	P722 D746 V750 Q751	P722-L748 HydrophobicContact CG-CD2 4.44Å; D746-L748 PolarHBondContact O-N 3.31Å; D746-L748 WeakPolarHBondContact OD1-CB 3.45Å; D746-L748 PolarHBondContact OD1-N 2.76Å; L748-V750 VanDerWaalsContact C-N 3.29Å; L748-V750 PolarHBondContact O-N 3.38Å; L748-Q751 WeakPolarHBondContact O-CB 3.46Å; L748-Q751 PolarHBondContact O-N 2.87Å
749	R	85	Confident	87.4	Confident	150 Å²	150	54.7 Å²	54.7	57%	0.566	27%	0.269	S	S	*	.	H	α-helix	trans	-71.8	-23.7	170.9	-61.9	-145.2	-156.4	147.4	-14.1	112.9	Y736 D746 V747 Q751 G752	Y736-R749 VanDerWaalsContact OH-CB 3.26Å; Y736-R749 WeakPolarHBondContact OH-CB 3.35Å; Y736-R749 WeakPolarHBondContact OH-CD 3.37Å; Y736-R749 WeakPolarHBondContact OH-CG 3.34Å; Y736-R749 PolarHBondContact OH-NH1 3.31Å; D746-R749 HydrophobicContact CB-CG 4.02Å; D746-R749 WeakPolarHBondContact O-CB 3.35Å; D746-R749 PolarHBondContact O-N 2.9Å; V747-R749 PolarHBondContact O-N 3.13Å; R749-Q751 PolarHBondContact O-N 2.82Å; R749-G752 PolarHBondContact O-N 2.76Å
750	V	91.3	Very high	88.5	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-32.1	172.2	-173.1	0	0	0	0	110.5	V683 C724 A728 L729 A732 V747 L748 G752 Y753 R754	V683-V750 HydrophobicContact CG1-CB 4.44Å; V683-V750 HydrophobicContact CG1-CG1 4.06Å; C724-V750 HydrophobicContact CB-CG1 3.85Å; A728-V750 HydrophobicContact CB-CG1 4.29Å; L729-V750 HydrophobicContact CB-CG1 4.33Å; A732-V750 HydrophobicContact CB-CB 4.35Å; A732-V750 HydrophobicContact CB-CG1 4.18Å; A732-V750 HydrophobicContact CB-CG2 3.92Å; V747-V750 WeakPolarHBondContact O-CB 3.31Å; V747-V750 WeakPolarHBondContact O-CG2 3.13Å; V747-V750 PolarHBondContact O-N 2.62Å; L748-V750 VanDerWaalsContact C-N 3.29Å; L748-V750 PolarHBondContact O-N 3.38Å; V750-G752 PolarHBondContact O-N 3.05Å; V750-Y753 PolarHBondContact O-N 2.83Å; V750-R754 PolarHBondContact O-N 2.95Å; V750-R754 VanDerWaalsContact O-N 3.12Å
751	Q	90.4	Very high	89.7	Confident	66 Å²	66	46.6 Å²	46.6	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-33.5	174	-165.5	-177	35.9	0	0	112.5	P722 L748 R749 Y753 R754 F755	P722-Q751 HydrophobicContact CG-CB 4.41Å; P722-Q751 HydrophobicContact CG-CG 4.28Å; L748-Q751 WeakPolarHBondContact O-CB 3.46Å; L748-Q751 PolarHBondContact O-N 2.87Å; R749-Q751 PolarHBondContact O-N 2.82Å; Q751-Y753 VanDerWaalsContact C-N 3.26Å; Q751-Y753 PolarHBondContact O-N 3.03Å; Q751-R754 WeakPolarHBondContact O-CB 3.47Å; Q751-R754 PolarHBondContact O-N 2.91Å; Q751-R754 VanDerWaalsContact O-N 3.12Å; Q751-F755 HydrophobicContact CG-CE1 4.34Å; Q751-F755 HydrophobicContact CG-CE2 4.03Å; Q751-F755 HydrophobicContact CG-CZ 3.77Å; Q751-F755 WeakPolarHBondContact O-CD2 3.48Å; Q751-F755 PolarHBondContact O-N 3.05Å; Q751-F755 VanDerWaalsContact O-N 3.1Å
752	G	92	Very high	90.6	Very high	39 Å²	39	43.6 Å²	43.6	40%	0.402	21%	0.212	S	C	.	.	H	α-helix	trans	-57.3	-41.2	172.9	0	0	0	0	0	111.9	R749 V750 F755 F756	R749-G752 PolarHBondContact O-N 2.76Å; V750-G752 PolarHBondContact O-N 3.05Å; G752-F755 WeakPolarHBondContact O-CB 3.43Å; G752-F755 PolarHBondContact O-N 3.34Å; G752-F755 VanDerWaalsContact O-N 3.15Å; G752-F756 PolarHBondContact O-N 3.37Å
753	Y	95	Very high	91.3	Very high	49 Å²	49	41.5 Å²	41.5	19%	0.192	20%	0.201	C	C	.	.	H	α-helix	trans	-74.8	-24.8	176.8	-62.7	-72.1	0	0	0	113.3	F731 A732 A735 V750 Q751 F755 F756 C757	F731-Y753 AromaticContact CD1-CD1 3.38Å; F731-Y753 HydrophobicContact CD1-CD1 3.38Å; F731-Y753 AromaticContact CD1-CE1 3.53Å; F731-Y753 HydrophobicContact CD1-CE1 3.53Å; F731-Y753 HydrophobicContact CD1-CG 4.14Å; F731-Y753 AromaticContact CE1-CD1 3.71Å; F731-Y753 HydrophobicContact CE1-CD1 3.71Å; F731-Y753 AromaticContact CE1-CE1 3.56Å; F731-Y753 HydrophobicContact CE1-CE1 3.56Å; A732-Y753 HydrophobicContact CB-CD2 3.43Å; A732-Y753 VanDerWaalsContact CB-CD2 3.43Å; A732-Y753 HydrophobicContact CB-CE2 3.71Å; A732-Y753 HydrophobicContact CB-CG 4.27Å; A735-Y753 WeakPolarHBondContact CB-OH 3.4Å; V750-Y753 PolarHBondContact O-N 2.83Å; Q751-Y753 VanDerWaalsContact C-N 3.26Å; Q751-Y753 PolarHBondContact O-N 3.03Å; Y753-F755 VanDerWaalsContact C-N 3.31Å; Y753-F756 WeakPolarHBondContact O-CB 3.16Å; Y753-F756 PolarHBondContact O-N 3.29Å; Y753-C757 PolarHBondContact O-N 3Å; Y753-C757 PolarHBondContact O-SG 3.08Å
754	R	94.6	Very high	91.9	Very high	57 Å²	57	41.5 Å²	41.5	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-40.5	164.7	171.4	175.7	171.2	141.3	10.6	111.1	Y93 E723 A728 V750 Q751 F756 C757 N758	Y93-R754 HydrophobicContact CE1-CG 4.38Å; E723-R754 WeakPolarHBondContact O-CD 3.19Å; E723-R754 PolarHBondContact O-NH1 2.9Å; E723-R754 IonicContact OE1-CZ 3Å; E723-R754 IonicContact OE1-NH1 3.91Å; E723-R754 PolarHBondContact OE1-NH1 3.1Å; E723-R754 IonicContact OE1-NH2 3.96Å; A728-R754 HydrophobicContact CB-CB 4.25Å; V750-R754 PolarHBondContact O-N 2.95Å; V750-R754 VanDerWaalsContact O-N 3.12Å; Q751-R754 WeakPolarHBondContact O-CB 3.47Å; Q751-R754 PolarHBondContact O-N 2.91Å; Q751-R754 VanDerWaalsContact O-N 3.12Å; R754-F756 VanDerWaalsContact C-N 3.3Å; R754-C757 WeakPolarHBondContact O-CB 3.3Å; R754-C757 PolarHBondContact O-N 3.48Å; R754-N758 PolarHBondContact O-N 2.91Å; R754-N758 VanDerWaalsContact O-N 3.09Å
755	F	94.4	Very high	92.3	Very high	117 Å²	117	42 Å²	42	51%	0.513	20%	0.198	S	C	.	.	H	α-helix	trans	-66.7	-34.8	175.3	-56.7	-39.5	0	0	0	112	Q751 G752 Y753 N758 K759	Q751-F755 HydrophobicContact CG-CE1 4.34Å; Q751-F755 HydrophobicContact CG-CE2 4.03Å; Q751-F755 HydrophobicContact CG-CZ 3.77Å; Q751-F755 WeakPolarHBondContact O-CD2 3.48Å; Q751-F755 PolarHBondContact O-N 3.05Å; Q751-F755 VanDerWaalsContact O-N 3.1Å; G752-F755 WeakPolarHBondContact O-CB 3.43Å; G752-F755 PolarHBondContact O-N 3.34Å; G752-F755 VanDerWaalsContact O-N 3.15Å; Y753-F755 VanDerWaalsContact C-N 3.31Å; F755-N758 PolarHBondContact O-N 3.13Å; F755-K759 PolarHBondContact O-N 3.46Å
756	F	96.1	Very high	93	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-44.9	171.2	178.8	-125.5	0	0	0	112.2	F731 G752 Y753 R754 N758 K759 I760 H822 W825 L867 M871	F731-F756 HydrophobicContact CE1-CD1 4.35Å; F731-F756 HydrophobicContact CE1-CE1 4.2Å; F731-F756 HydrophobicContact CE2-CE1 4.39Å; F731-F756 AromaticContact CZ-CE1 3.96Å; F731-F756 HydrophobicContact CZ-CE1 3.96Å; G752-F756 PolarHBondContact O-N 3.37Å; Y753-F756 WeakPolarHBondContact O-CB 3.16Å; Y753-F756 PolarHBondContact O-N 3.29Å; R754-F756 VanDerWaalsContact C-N 3.3Å; F756-N758 VanDerWaalsContact C-N 3.28Å; F756-N758 PolarHBondContact O-N 3.04Å; F756-K759 WeakPolarHBondContact O-CA 3.47Å; F756-K759 WeakPolarHBondContact O-CB 3.47Å; F756-K759 PolarHBondContact O-N 3.13Å; F756-I760 HydrophobicContact CD1-CD1 3.98Å; F756-I760 HydrophobicContact CD2-CD1 4.4Å; F756-I760 HydrophobicContact CD2-CG1 4.47Å; F756-I760 HydrophobicContact CE1-CD1 3.6Å; F756-I760 HydrophobicContact CE1-CG1 4.49Å; F756-I760 HydrophobicContact CE2-CD1 4.06Å; F756-I760 HydrophobicContact CE2-CG1 4.08Å; F756-I760 HydrophobicContact CG-CD1 4.35Å; F756-I760 HydrophobicContact CZ-CD1 3.64Å; F756-I760 HydrophobicContact CZ-CG1 4.07Å; F756-I760 PolarHBondContact O-N 3.08Å; F756-H822 AromaticContact CD1-CD2 3.87Å; F756-H822 AromaticContact CD2-CD2 3.56Å; F756-H822 AromaticContact CD2-NE2 3.87Å; F756-H822 AromaticContact CE2-CD2 3.73Å; F756-H822 AromaticContact CG-CD2 3.64Å; F756-H822 HydrophobicContact CZ-CB 4.31Å; F756-H822 AromaticContact CZ-CD2 3.97Å; F756-W825 HydrophobicContact CE2-CB 3.6Å; F756-W825 HydrophobicContact CE2-CG 4.36Å; F756-W825 HydrophobicContact CZ-CB 3.79Å; F756-W825 HydrophobicContact CZ-CG 4.17Å; F756-L867 HydrophobicContact CE1-CD1 4.42Å; F756-M871 HydrophobicContact CD1-CE 3.68Å; F756-M871 HydrophobicContact CE1-CE 3.93Å; F756-M871 HydrophobicContact CE1-SD 4.49Å
757	C	97.3	Very high	93.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.1	-44.3	172.3	-63.9	0	0	0	0	111.7	Y93 Y753 R754 K759 I760 W761 I874	Y93-C757 HydrophobicContact CD1-CB 3.79Å; Y93-C757 HydrophobicContact CE1-CB 3.46Å; Y93-C757 VanDerWaalsContact CE1-CB 3.46Å; Y93-C757 HydrophobicContact CE2-CB 4.3Å; Y93-C757 HydrophobicContact CG-CB 4.34Å; Y753-C757 PolarHBondContact O-N 3Å; Y753-C757 PolarHBondContact O-SG 3.08Å; R754-C757 WeakPolarHBondContact O-CB 3.3Å; R754-C757 PolarHBondContact O-N 3.48Å; C757-K759 VanDerWaalsContact C-N 3.3Å; C757-K759 PolarHBondContact O-N 2.85Å; C757-I760 PolarHBondContact O-N 3.24Å; C757-W761 WeakPolarHBondContact O-CB 3.45Å; C757-W761 PolarHBondContact O-N 3.1Å; C757-I874 HydrophobicContact CB-CD1 3.8Å; C757-I874 WeakPolarHBondContact O-CD1 3.4Å
758	N	96.1	Very high	94.1	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.273	20%	0.202	S	C	.	.	H	α-helix	trans	-65.9	-29.4	175.8	-173	67.8	0	0	0	113.1	Y93 R754 F755 F756 N762	Y93-N758 WeakPolarHBondContact CB-OD1 3.42Å; Y93-N758 HydrophobicContact CD1-CB 4.42Å; Y93-N758 PolarHBondContact N-OD1 3.21Å; R754-N758 PolarHBondContact O-N 2.91Å; R754-N758 VanDerWaalsContact O-N 3.09Å; F755-N758 PolarHBondContact O-N 3.13Å; F756-N758 VanDerWaalsContact C-N 3.28Å; F756-N758 PolarHBondContact O-N 3.04Å; N758-N762 PolarHBondContact ND2-ND2 2.83Å; N758-N762 PolarHBondContact O-N 2.75Å; N758-N762 VanDerWaalsContact O-N 3.12Å; N758-N762 PolarHBondContact O-ND2 2.96Å
759	K	96	Very high	94.6	Very high	71 Å²	71	46.7 Å²	46.7	31%	0.309	22%	0.218	S	C	.	.	H	α-helix	trans	-68.7	-47.2	173.8	-168.8	89.9	179.1	-154.7	0	110.6	F755 F756 C757 W761 N762 A763 L826 C830 D831	F755-K759 PolarHBondContact O-N 3.46Å; F756-K759 WeakPolarHBondContact O-CA 3.47Å; F756-K759 WeakPolarHBondContact O-CB 3.47Å; F756-K759 PolarHBondContact O-N 3.13Å; C757-K759 VanDerWaalsContact C-N 3.3Å; C757-K759 PolarHBondContact O-N 2.85Å; K759-W761 VanDerWaalsContact C-N 3.3Å; K759-W761 PolarHBondContact O-N 3.18Å; K759-N762 PolarHBondContact O-N 3.46Å; K759-A763 WeakPolarHBondContact O-CB 3.15Å; K759-A763 PolarHBondContact O-N 3.14Å; K759-L826 HydrophobicContact CD-CD1 3.86Å; K759-L826 HydrophobicContact CG-CD1 3.86Å; K759-C830 HydrophobicContact CD-CB 4.48Å; K759-C830 HydrophobicContact CG-CB 4.43Å; K759-D831 IonicContact NZ-OD1 3.6Å; K759-D831 PolarHBondContact NZ-OD1 3.39Å
760	I	97.7	Very high	94.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-45.7	175.1	-63.8	159.1	0	0	0	110.6	F756 C757 N762 A763 C764 W825 L864 L867 M871 I874 L878	F756-I760 HydrophobicContact CD1-CD1 3.98Å; F756-I760 HydrophobicContact CD2-CD1 4.4Å; F756-I760 HydrophobicContact CD2-CG1 4.47Å; F756-I760 HydrophobicContact CE1-CD1 3.6Å; F756-I760 HydrophobicContact CE1-CG1 4.49Å; F756-I760 HydrophobicContact CE2-CD1 4.06Å; F756-I760 HydrophobicContact CE2-CG1 4.08Å; F756-I760 HydrophobicContact CG-CD1 4.35Å; F756-I760 HydrophobicContact CZ-CD1 3.64Å; F756-I760 HydrophobicContact CZ-CG1 4.07Å; F756-I760 PolarHBondContact O-N 3.08Å; C757-I760 PolarHBondContact O-N 3.24Å; I760-N762 PolarHBondContact O-N 2.63Å; I760-A763 PolarHBondContact O-N 2.92Å; I760-C764 PolarHBondContact O-N 3.29Å; I760-C764 PolarHBondContact O-SG 2.69Å; I760-W825 HydrophobicContact CB-CE3 4.35Å; I760-W825 HydrophobicContact CB-CZ3 4.45Å; I760-W825 HydrophobicContact CG1-CD2 3.87Å; I760-W825 HydrophobicContact CG1-CE3 4Å; I760-W825 HydrophobicContact CG1-CG 4.12Å; I760-W825 HydrophobicContact CG2-CD2 4.41Å; I760-W825 HydrophobicContact CG2-CE3 4.23Å; I760-W825 HydrophobicContact CG2-CH2 3.85Å; I760-W825 HydrophobicContact CG2-CZ2 4.03Å; I760-W825 HydrophobicContact CG2-CZ3 3.96Å; I760-L864 HydrophobicContact CG2-CD2 4.28Å; I760-L867 HydrophobicContact CD1-CD2 3.47Å; I760-L867 VanDerWaalsContact CD1-CD2 3.47Å; I760-M871 HydrophobicContact CD1-SD 4.19Å; I760-I874 HydrophobicContact CB-CD1 4.44Å; I760-I874 HydrophobicContact CG2-CD1 4.49Å; I760-L878 HydrophobicContact CG2-CD1 3.71Å
761	W	97.3	Very high	95	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-54.9	-50.4	176.2	-176.5	-93.6	0	0	0	112.4	L89 P90 Y93 Y97 V98 C757 K759 C764 R765 E877 L878	L89-W761 HydrophobicContact CB-CZ2 4.16Å; L89-W761 HydrophobicContact CD2-CH2 3.32Å; L89-W761 HydrophobicContact CD2-CZ2 3.47Å; L89-W761 VanDerWaalsContact CD2-CZ2 3.47Å; L89-W761 HydrophobicContact CD2-CZ3 3.87Å; L89-W761 HydrophobicContact CG-CZ2 4.4Å; P90-W761 HydrophobicContact CB-CZ2 4.15Å; P90-W761 HydrophobicContact CG-CZ2 4.13Å; P90-W761 PolarHBondContact O-NE1 3.29Å; Y93-W761 HydrophobicContact CD2-CD2 4.38Å; Y93-W761 AromaticContact CD2-CE3 3.98Å; Y93-W761 HydrophobicContact CD2-CE3 3.98Å; Y93-W761 HydrophobicContact CD2-CZ3 4.5Å; Y97-W761 AromaticContact CD1-CH2 3.9Å; Y97-W761 HydrophobicContact CD1-CH2 3.9Å; Y97-W761 AromaticContact CE1-CH2 3.9Å; Y97-W761 HydrophobicContact CE1-CH2 3.9Å; V98-W761 HydrophobicContact CG2-CE3 4.11Å; V98-W761 HydrophobicContact CG2-CH2 3.88Å; V98-W761 HydrophobicContact CG2-CZ3 3.36Å; C757-W761 WeakPolarHBondContact O-CB 3.45Å; C757-W761 PolarHBondContact O-N 3.1Å; K759-W761 VanDerWaalsContact C-N 3.3Å; K759-W761 PolarHBondContact O-N 3.18Å; W761-C764 PolarHBondContact O-N 3Å; W761-R765 WeakPolarHBondContact O-CG 3.26Å; W761-R765 PolarHBondContact O-N 3.14Å; W761-E877 HydrophobicContact CH2-CG 4.39Å; W761-E877 HydrophobicContact CZ3-CG 3.91Å; W761-L878 HydrophobicContact CE3-CD2 3.85Å; W761-L878 HydrophobicContact CE3-CG 4.46Å; W761-L878 HydrophobicContact CZ3-CD2 4.13Å
762	N	96.4	Very high	94.8	Very high	58 Å²	58	39.5 Å²	39.5	31%	0.31	20%	0.203	S	C	.	.	H	α-helix	trans	-68.7	-35.9	-179.5	-73.6	-51.6	0	0	0	112.7	N758 K759 I760 R765 F766	N758-N762 PolarHBondContact ND2-ND2 2.83Å; N758-N762 PolarHBondContact O-N 2.75Å; N758-N762 VanDerWaalsContact O-N 3.12Å; N758-N762 PolarHBondContact O-ND2 2.96Å; K759-N762 PolarHBondContact O-N 3.46Å; I760-N762 PolarHBondContact O-N 2.63Å; N762-R765 PolarHBondContact O-N 2.97Å; N762-F766 WeakPolarHBondContact O-CB 3.41Å; N762-F766 PolarHBondContact O-N 2.96Å
763	A	96.8	Very high	94.2	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-47.1	173.4	0	0	0	0	0	111.2	K759 I760 R765 F766 T767 W825 L834	K759-A763 WeakPolarHBondContact O-CB 3.15Å; K759-A763 PolarHBondContact O-N 3.14Å; I760-A763 PolarHBondContact O-N 2.92Å; A763-R765 PolarHBondContact O-N 2.78Å; A763-F766 WeakPolarHBondContact O-CB 3.4Å; A763-F766 PolarHBondContact O-N 2.98Å; A763-T767 PolarHBondContact O-N 2.86Å; A763-T767 PolarHBondContact O-OG1 3.16Å; A763-T767 VanDerWaalsContact O-OG1 3.07Å; A763-W825 HydrophobicContact CB-CE3 4.25Å; A763-W825 HydrophobicContact CB-CZ3 3.8Å; A763-L834 HydrophobicContact CB-CD1 3.93Å
764	C	96.4	Very high	93.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-36.7	177.3	-67.9	0	0	0	0	112.7	I760 W761 F766 T767 L768 L878	I760-C764 PolarHBondContact O-N 3.29Å; I760-C764 PolarHBondContact O-SG 2.69Å; W761-C764 PolarHBondContact O-N 3Å; C764-F766 VanDerWaalsContact C-N 3.34Å; C764-F766 PolarHBondContact O-N 3.37Å; C764-T767 WeakPolarHBondContact O-CB 3.28Å; C764-T767 PolarHBondContact O-N 2.77Å; C764-L768 WeakPolarHBondContact O-CG 3.5Å; C764-L768 PolarHBondContact O-N 3.38Å; C764-L878 HydrophobicContact CB-CB 4.48Å; C764-L878 HydrophobicContact CB-CD1 4.07Å; C764-L878 HydrophobicContact CB-CD2 3.82Å; C764-L878 HydrophobicContact CB-CG 4.34Å
765	R	95.2	Very high	93.3	Very high	84 Å²	84	51.9 Å²	51.9	32%	0.317	26%	0.255	S	S	.	.	H	α-helix	trans	-59.2	-45.6	171.9	-75.3	-179.6	79	-129.4	1	111.7	L89 P90 S91 W761 N762 A763 T767 L768 M769	L89-R765 HydrophobicContact CB-CG 3.71Å; L89-R765 HydrophobicContact CD1-CG 3.49Å; L89-R765 VanDerWaalsContact CD1-CG 3.49Å; L89-R765 HydrophobicContact CG-CG 4.23Å; L89-R765 PolarHBondContact O-NE 3.35Å; L89-R765 PolarHBondContact O-NH2 2.53Å; P90-R765 WeakPolarHBondContact O-CD 3.32Å; P90-R765 PolarHBondContact O-NE 3.09Å; P90-R765 VanDerWaalsContact O-NE 3.16Å; S91-R765 PolarHBondContact O-NH1 3.03Å; W761-R765 WeakPolarHBondContact O-CG 3.26Å; W761-R765 PolarHBondContact O-N 3.14Å; N762-R765 PolarHBondContact O-N 2.97Å; A763-R765 PolarHBondContact O-N 2.78Å; R765-T767 VanDerWaalsContact C-N 3.34Å; R765-L768 PolarHBondContact O-N 3.44Å; R765-M769 WeakPolarHBondContact O-CB 3.36Å; R765-M769 PolarHBondContact O-N 2.85Å; R765-M769 VanDerWaalsContact O-N 3.09Å
766	F	95.1	Very high	92.8	Very high	39 Å²	39	54.3 Å²	54.3	17%	0.171	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-43.4	175.6	177.7	-92.2	0	0	0	111.4	N762 A763 C764 M769 T770 L834 I837 K838	N762-F766 WeakPolarHBondContact O-CB 3.41Å; N762-F766 PolarHBondContact O-N 2.96Å; A763-F766 WeakPolarHBondContact O-CB 3.4Å; A763-F766 PolarHBondContact O-N 2.98Å; C764-F766 VanDerWaalsContact C-N 3.34Å; C764-F766 PolarHBondContact O-N 3.37Å; F766-M769 HydrophobicContact CD2-CE 3.92Å; F766-M769 HydrophobicContact CE2-CE 4.15Å; F766-M769 PolarHBondContact O-N 2.9Å; F766-T770 WeakPolarHBondContact CE1-OG1 3.36Å; F766-T770 VanDerWaalsContact O-CB 3.22Å; F766-T770 WeakPolarHBondContact O-CB 3.46Å; F766-T770 PolarHBondContact O-N 3.41Å; F766-T770 PolarHBondContact O-OG1 2.91Å; F766-L834 HydrophobicContact CD1-CD1 4.2Å; F766-L834 HydrophobicContact CD1-CD2 3.76Å; F766-L834 HydrophobicContact CD1-CG 4.41Å; F766-L834 HydrophobicContact CE1-CD2 3.9Å; F766-I837 HydrophobicContact CE1-CD1 4.14Å; F766-I837 HydrophobicContact CE1-CG1 4.39Å; F766-K838 HydrophobicContact CE2-CD 4.46Å; F766-K838 HydrophobicContact CE2-CG 3.87Å; F766-K838 HydrophobicContact CZ-CG 3.64Å
767	T	95.5	Very high	92.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-53	175.8	-60.8	0	0	0	0	111.7	A763 C764 R765 M769 T770 L771 L856 V860	A763-T767 PolarHBondContact O-N 2.86Å; A763-T767 PolarHBondContact O-OG1 3.16Å; A763-T767 VanDerWaalsContact O-OG1 3.07Å; C764-T767 WeakPolarHBondContact O-CB 3.28Å; C764-T767 PolarHBondContact O-N 2.77Å; R765-T767 VanDerWaalsContact C-N 3.34Å; T767-M769 VanDerWaalsContact C-N 3.31Å; T767-M769 PolarHBondContact O-N 2.58Å; T767-T770 CarbonylContact O-C 3.53Å; T767-T770 WeakPolarHBondContact O-CA 3.47Å; T767-T770 WeakPolarHBondContact O-CB 3.34Å; T767-T770 PolarHBondContact O-N 3.03Å; T767-L771 HydrophobicContact CG2-CD1 3.92Å; T767-L771 HydrophobicContact CG2-CG 4.16Å; T767-L771 WeakPolarHBondContact O-CG 3.33Å; T767-L771 PolarHBondContact O-N 3.03Å; T767-L856 HydrophobicContact CG2-CD2 3.93Å; T767-L856 HydrophobicContact CG2-CG 3.85Å; T767-V860 HydrophobicContact CG2-CG2 4.25Å
768	L	93.8	Very high	91.4	Very high	44 Å²	44	61 Å²	61	23%	0.23	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-42.4	-179.2	-68.7	170.3	0	0	0	112.3	L89 C764 R765 T770 L771 G772 R881 L882	L89-L768 HydrophobicContact CD1-CD1 3.59Å; C764-L768 WeakPolarHBondContact O-CG 3.5Å; C764-L768 PolarHBondContact O-N 3.38Å; R765-L768 PolarHBondContact O-N 3.44Å; L768-T770 VanDerWaalsContact C-N 3.26Å; L768-T770 PolarHBondContact O-N 3.4Å; L768-L771 PolarHBondContact O-N 3.31Å; L768-G772 PolarHBondContact O-N 2.89Å; L768-R881 HydrophobicContact CD1-CB 4.01Å; L768-R881 VanDerWaalsContact CD2-O 3.29Å; L768-R881 WeakPolarHBondContact CD2-O 3.3Å; L768-L882 HydrophobicContact CD2-CD2 4.18Å
769	M	93.2	Very high	90.6	Very high	141 Å²	141	66 Å²	66	70%	0.695	32%	0.319	S	S	*	.	H	α-helix	trans	-61.1	-37.7	174.4	-176.8	-175.3	73.6	0	0	112.1	R765 F766 T767	R765-M769 WeakPolarHBondContact O-CB 3.36Å; R765-M769 PolarHBondContact O-N 2.85Å; R765-M769 VanDerWaalsContact O-N 3.09Å; F766-M769 HydrophobicContact CD2-CE 3.92Å; F766-M769 HydrophobicContact CE2-CE 4.15Å; F766-M769 PolarHBondContact O-N 2.9Å; T767-M769 VanDerWaalsContact C-N 3.31Å; T767-M769 PolarHBondContact O-N 2.58Å
770	T	92.8	Very high	89.9	Confident	19 Å²	19	67 Å²	67	12%	0.117	33%	0.33	C	S	.	.	H	α-helix	trans	-76.9	-31.6	-176.9	-64.3	0	0	0	0	112.8	F766 T767 L768 M841 Q853 L856	F766-T770 WeakPolarHBondContact CE1-OG1 3.36Å; F766-T770 VanDerWaalsContact O-CB 3.22Å; F766-T770 WeakPolarHBondContact O-CB 3.46Å; F766-T770 PolarHBondContact O-N 3.41Å; F766-T770 PolarHBondContact O-OG1 2.91Å; T767-T770 CarbonylContact O-C 3.53Å; T767-T770 WeakPolarHBondContact O-CA 3.47Å; T767-T770 WeakPolarHBondContact O-CB 3.34Å; T767-T770 PolarHBondContact O-N 3.03Å; L768-T770 VanDerWaalsContact C-N 3.26Å; L768-T770 PolarHBondContact O-N 3.4Å; T770-M841 HydrophobicContact CG2-CE 3.11Å; T770-M841 HydrophobicContact CG2-CG 3.69Å; T770-M841 HydrophobicContact CG2-SD 3.83Å; T770-Q853 PolarHBondContact O-NE2 3.26Å; T770-L856 HydrophobicContact CG2-CD2 4.14Å
771	L	92.1	Very high	89.5	Confident	9 Å²	9	68.8 Å²	68.8	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-71.3	-46.6	175.9	-64.1	179.1	0	0	0	110.9	T767 L768 F775 Q853 C857 P883	T767-L771 HydrophobicContact CG2-CD1 3.92Å; T767-L771 HydrophobicContact CG2-CG 4.16Å; T767-L771 WeakPolarHBondContact O-CG 3.33Å; T767-L771 PolarHBondContact O-N 3.03Å; L768-L771 PolarHBondContact O-N 3.31Å; L771-F775 HydrophobicContact CB-CB 3.97Å; L771-F775 HydrophobicContact CB-CD1 4.19Å; L771-F775 HydrophobicContact CB-CD2 4.34Å; L771-F775 HydrophobicContact CB-CG 3.93Å; L771-F775 HydrophobicContact CD1-CD1 4.17Å; L771-F775 HydrophobicContact CD1-CE1 4.25Å; L771-F775 HydrophobicContact CD2-CD1 4.02Å; L771-F775 HydrophobicContact CD2-CD2 3.86Å; L771-F775 HydrophobicContact CD2-CE1 3.85Å; L771-F775 HydrophobicContact CD2-CE2 3.78Å; L771-F775 HydrophobicContact CD2-CG 4.03Å; L771-F775 HydrophobicContact CD2-CZ 3.76Å; L771-F775 HydrophobicContact CG-CD1 4.34Å; L771-F775 HydrophobicContact CG-CG 4.41Å; L771-F775 WeakPolarHBondContact O-CB 3.34Å; L771-Q853 HydrophobicContact CD2-CB 3.83Å; L771-Q853 HydrophobicContact CD2-CG 4.26Å; L771-Q853 WeakPolarHBondContact CD2-O 3.48Å; L771-C857 HydrophobicContact CD1-CB 4.08Å; L771-C857 HydrophobicContact CD2-CB 4.06Å; L771-P883 HydrophobicContact CD1-CG 3.94Å
772	G	86.5	Confident	89	Confident	39 Å²	39	75.6 Å²	75.6	40%	0.402	37%	0.368	S	S	.	.			trans	76.3	167.6	-174.8	0	0	0	0	0	113.4	L768 E774 F775	L768-G772 PolarHBondContact O-N 2.89Å; G772-E774 VanDerWaalsContact C-N 3.35Å; G772-E774 PolarHBondContact O-N 3.14Å; G772-F775 WeakPolarHBondContact O-CB 3.38Å; G772-F775 PolarHBondContact O-N 2.92Å
773	E	80.1	Confident	88.7	Confident	206 Å²	206	76.6 Å²	76.6	96%	0.963	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-28.7	-171.6	-64.6	-176	176.1	0	0	113.8	F775	E773-F775 VanDerWaalsContact C-N 3.29Å; E773-F775 PolarHBondContact O-N 2.82Å
774	E	82.1	Confident	88.3	Confident	184 Å²	184	79.1 Å²	79.1	86%	0.86	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.7	-178.1	-60.4	-169.6	165.1	0	0	113.5	G772 K776	G772-E774 VanDerWaalsContact C-N 3.35Å; G772-E774 PolarHBondContact O-N 3.14Å; E774-K776 PolarHBondContact O-N 2.87Å
775	F	88.1	Confident	88	Confident	15 Å²	15	82.2 Å²	82.2	7%	0.066	42%	0.422	C	S	.	.			trans	-68.2	120.1	-176.2	-175.8	-92.2	0	0	0	111.9	L771 G772 E773 V777 Q853 L854 C857 P883	L771-F775 HydrophobicContact CB-CB 3.97Å; L771-F775 HydrophobicContact CB-CD1 4.19Å; L771-F775 HydrophobicContact CB-CD2 4.34Å; L771-F775 HydrophobicContact CB-CG 3.93Å; L771-F775 HydrophobicContact CD1-CD1 4.17Å; L771-F775 HydrophobicContact CD1-CE1 4.25Å; L771-F775 HydrophobicContact CD2-CD1 4.02Å; L771-F775 HydrophobicContact CD2-CD2 3.86Å; L771-F775 HydrophobicContact CD2-CE1 3.85Å; L771-F775 HydrophobicContact CD2-CE2 3.78Å; L771-F775 HydrophobicContact CD2-CG 4.03Å; L771-F775 HydrophobicContact CD2-CZ 3.76Å; L771-F775 HydrophobicContact CG-CD1 4.34Å; L771-F775 HydrophobicContact CG-CG 4.41Å; L771-F775 WeakPolarHBondContact O-CB 3.34Å; G772-F775 WeakPolarHBondContact O-CB 3.38Å; G772-F775 PolarHBondContact O-N 2.92Å; E773-F775 VanDerWaalsContact C-N 3.29Å; E773-F775 PolarHBondContact O-N 2.82Å; F775-V777 HydrophobicContact CD1-CG2 4.09Å; F775-V777 HydrophobicContact CE1-CG2 3.53Å; F775-Q853 HydrophobicContact CD2-CB 4.05Å; F775-Q853 HydrophobicContact CE2-CB 3.49Å; F775-Q853 VanDerWaalsContact CE2-CB 3.49Å; F775-Q853 HydrophobicContact CE2-CG 4.48Å; F775-Q853 HydrophobicContact CZ-CB 4.33Å; F775-L854 HydrophobicContact CE2-CD2 4.35Å; F775-L854 HydrophobicContact CE2-CG 4.46Å; F775-L854 HydrophobicContact CZ-CD2 3.88Å; F775-L854 HydrophobicContact CZ-CG 4.33Å; F775-C857 HydrophobicContact CE1-CB 4.04Å; F775-C857 HydrophobicContact CZ-CB 4.13Å; F775-P883 HydrophobicContact CD1-CB 4.15Å; F775-P883 HydrophobicContact CD1-CG 4.07Å
776	K	84.6	Confident	87.9	Confident	167 Å²	167	83.4 Å²	83.4	73%	0.726	43%	0.43	S	S	*	.			trans	-106	131.2	174.6	-65.3	-179.4	-176.9	174.5	0	111	E774 R850	E774-K776 PolarHBondContact O-N 2.87Å; K776-R850 PolarHBondContact O-NH2 3.4Å
777	V	83.9	Confident	87.8	Confident	41 Å²	41	82.5 Å²	82.5	25%	0.248	43%	0.426	C	S	.	.			trans	-85.4	130.3	174.2	175.8	0	0	0	0	109.5	F775 P883 S885	F775-V777 HydrophobicContact CD1-CG2 4.09Å; F775-V777 HydrophobicContact CE1-CG2 3.53Å; V777-P883 HydrophobicContact CG2-CB 3.92Å; V777-P883 WeakPolarHBondContact CG2-O 3.23Å; V777-S885 WeakPolarHBondContact O-CB 3.47Å
778	E	80.9	Confident	87.6	Confident	106 Å²	106	84.1 Å²	84.1	50%	0.495	44%	0.436	S	S	.	.			trans	-71.2	154.1	173	-64.7	-172.4	-167.9	0	0	111.1	V780	E778-V780 VanDerWaalsContact C-N 3.26Å; E778-V780 PolarHBondContact O-N 3.06Å
779	K	78.3	Confident	87.5	Confident	157 Å²	157	84.4 Å²	84.4	68%	0.683	44%	0.437	S	S	*	.	S	Bend	trans	-63.5	-33.2	178.4	-84.3	-174.8	177	177.4	0	113.2	S886	K779-S886 WeakPolarHBondContact CE-O 3.47Å
780	V	82.1	Confident	87.5	Confident	91 Å²	91	78 Å²	78	55%	0.552	41%	0.405	S	S	*	.	S	Bend	trans	-131	125.4	-177.7	-179.6	0	0	0	0	107.2	E778 K782	E778-V780 VanDerWaalsContact C-N 3.26Å; E778-V780 PolarHBondContact O-N 3.06Å; V780-K782 HydrophobicContact CG1-CG 4.36Å; V780-K782 PolarHBondContact O-N 3.1Å
781	F	87.6	Confident	87.7	Confident	38 Å²	38	77 Å²	77	17%	0.167	40%	0.4	C	S	.	.			trans	-68.6	129.7	174.7	177.9	-98.7	0	0	0	110.1	L783 L795 L854 V855 F858 W906	F781-L783 HydrophobicContact CE1-CD2 4.39Å; F781-L783 HydrophobicContact CZ-CD2 4.37Å; F781-L795 HydrophobicContact CE1-CD1 4.26Å; F781-L795 HydrophobicContact CE1-CD2 4.1Å; F781-L795 HydrophobicContact CZ-CD1 4.18Å; F781-L795 HydrophobicContact CZ-CD2 4.11Å; F781-L854 HydrophobicContact CE2-CB 4.39Å; F781-V855 HydrophobicContact CE2-CG2 4.26Å; F781-V855 HydrophobicContact CZ-CG2 4.01Å; F781-F858 HydrophobicContact CB-CD2 3.57Å; F781-F858 HydrophobicContact CB-CE2 3.72Å; F781-F858 HydrophobicContact CB-CG 4.2Å; F781-F858 HydrophobicContact CB-CZ 4.45Å; F781-F858 HydrophobicContact CD1-CD1 4.01Å; F781-F858 HydrophobicContact CD1-CD2 4.15Å; F781-F858 HydrophobicContact CD1-CE1 4.03Å; F781-F858 HydrophobicContact CD1-CE2 4.17Å; F781-F858 HydrophobicContact CD1-CG 4.07Å; F781-F858 HydrophobicContact CD1-CZ 4.11Å; F781-F858 HydrophobicContact CD2-CB 3.65Å; F781-F858 HydrophobicContact CD2-CD1 4.29Å; F781-F858 AromaticContact CD2-CD2 3.93Å; F781-F858 HydrophobicContact CD2-CD2 3.93Å; F781-F858 AromaticContact CD2-CG 3.69Å; F781-F858 HydrophobicContact CD2-CG 3.69Å; F781-F858 HydrophobicContact CE1-CD1 4.04Å; F781-F858 HydrophobicContact CE1-CE1 4.23Å; F781-F858 HydrophobicContact CE1-CG 4.38Å; F781-F858 HydrophobicContact CE2-CB 3.81Å; F781-F858 HydrophobicContact CE2-CD1 4.32Å; F781-F858 HydrophobicContact CE2-CG 4.04Å; F781-F858 HydrophobicContact CG-CB 4.19Å; F781-F858 HydrophobicContact CG-CD1 4.13Å; F781-F858 AromaticContact CG-CD2 3.61Å; F781-F858 HydrophobicContact CG-CD2 3.61Å; F781-F858 HydrophobicContact CG-CE1 4.44Å; F781-F858 AromaticContact CG-CE2 3.96Å; F781-F858 HydrophobicContact CG-CE2 3.96Å; F781-F858 AromaticContact CG-CG 3.7Å; F781-F858 HydrophobicContact CG-CG 3.7Å; F781-F858 HydrophobicContact CG-CZ 4.36Å; F781-F858 HydrophobicContact CZ-CB 4.47Å; F781-F858 HydrophobicContact CZ-CD1 4.2Å; F781-F858 HydrophobicContact CZ-CG 4.38Å; F781-W906 AromaticContact CD1-CH2 3.56Å; F781-W906 HydrophobicContact CD1-CH2 3.56Å; F781-W906 AromaticContact CD1-CZ2 3.54Å; F781-W906 HydrophobicContact CD1-CZ2 3.54Å; F781-W906 HydrophobicContact CD1-CZ3 4.48Å; F781-W906 AromaticContact CE1-CH2 3.87Å; F781-W906 HydrophobicContact CE1-CH2 3.87Å; F781-W906 AromaticContact CE1-CZ2 3.62Å; F781-W906 HydrophobicContact CE1-CZ2 3.62Å
782	K	88.3	Confident	87.8	Confident	144 Å²	144	80.8 Å²	80.8	63%	0.626	42%	0.417	S	S	*	.			trans	-140.6	146.3	175.8	-66.4	-175.8	-179.5	-179.4	0	109.1	V780 S784	V780-K782 HydrophobicContact CG1-CG 4.36Å; V780-K782 PolarHBondContact O-N 3.1Å; K782-S784 PolarHBondContact O-N 2.73Å
783	L	90.1	Very high	88.3	Confident	79 Å²	79	79.3 Å²	79.3	41%	0.414	40%	0.399	S	S	.	.			trans	-68	129.3	170.1	-61.9	174.1	0	0	0	108.9	F781 E787 L795	F781-L783 HydrophobicContact CE1-CD2 4.39Å; F781-L783 HydrophobicContact CZ-CD2 4.37Å; L783-E787 WeakPolarHBondContact CA-OE1 3.27Å; L783-E787 HydrophobicContact CD2-CG 3.76Å; L783-L795 HydrophobicContact CD2-CD1 3.71Å
784	S	87.8	Confident	89.2	Confident	56 Å²	56	69.5 Å²	69.5	39%	0.392	35%	0.354	S	S	.	.			trans	-80.8	-16.4	178.1	66	0	0	0	0	113.2	K782 F786 E787 A851	K782-S784 PolarHBondContact O-N 2.73Å; S784-F786 VanDerWaalsContact C-N 3.31Å; S784-F786 PolarHBondContact OG-N 3.05Å; S784-E787 WeakPolarHBondContact CB-OE1 3.47Å; S784-E787 PolarHBondContact N-OE1 3.48Å; S784-E787 PolarHBondContact N-OE2 3.09Å; S784-E787 PolarHBondContact OG-OE1 3Å; S784-A851 WeakPolarHBondContact OG-CB 3.35Å
785	G	90.3	Very high	89.9	Confident	68 Å²	68	60.8 Å²	60.8	70%	0.701	31%	0.313	S	S	*	.	S	Bend	trans	87.8	-4.4	-173.4	0	0	0	0	0	113.8	E787	G785-E787 WeakPolarHBondContact CA-OE2 3.39Å; G785-E787 PolarHBondContact N-OE2 3.01Å
786	F	92.2	Very high	90.3	Very high	108 Å²	108	60.1 Å²	60.1	47%	0.474	31%	0.31	S	S	.	.			trans	-105	9.9	177.6	-62	-80.6	0	0	0	113	S784 H847 A851	S784-F786 VanDerWaalsContact C-N 3.31Å; S784-F786 PolarHBondContact OG-N 3.05Å; F786-H847 HydrophobicContact CB-CB 4.39Å; F786-H847 HydrophobicContact CD1-CB 3.94Å; F786-H847 HydrophobicContact CD2-CB 4.06Å; F786-H847 HydrophobicContact CE1-CB 4.2Å; F786-H847 HydrophobicContact CE2-CB 4.31Å; F786-H847 HydrophobicContact CG-CB 3.87Å; F786-H847 HydrophobicContact CZ-CB 4.37Å; F786-A851 HydrophobicContact CB-CB 4.12Å
787	E	92.8	Very high	91	Very high	21 Å²	21	55.3 Å²	55.3	10%	0.098	29%	0.287	C	S	.	.			trans	-64.6	134.3	176.9	-68.6	75.2	-152.9	0	0	111	L783 S784 G785 D791 Q792 A851 V855	L783-E787 WeakPolarHBondContact CA-OE1 3.27Å; L783-E787 HydrophobicContact CD2-CG 3.76Å; S784-E787 WeakPolarHBondContact CB-OE1 3.47Å; S784-E787 PolarHBondContact N-OE1 3.48Å; S784-E787 PolarHBondContact N-OE2 3.09Å; S784-E787 PolarHBondContact OG-OE1 3Å; G785-E787 WeakPolarHBondContact CA-OE2 3.39Å; G785-E787 PolarHBondContact N-OE2 3.01Å; E787-D791 HydrophobicContact CB-CB 3.91Å; E787-D791 HydrophobicContact CG-CB 4.29Å; E787-Q792 HydrophobicContact CB-CG 4.35Å; E787-A851 HydrophobicContact CG-CB 4.38Å; E787-V855 HydrophobicContact CG-CG2 4.05Å
788	T	92.3	Very high	91.6	Very high	33 Å²	33	53.3 Å²	53.3	20%	0.202	28%	0.275	C	S	.	.			trans	-72.8	164.4	171.5	68.8	0	0	0	0	110.9	V790 D791 Q792 I840 T848	T788-V790 PolarHBondContact O-N 3.5Å; T788-V790 PolarHBondContact OG1-N 3.21Å; T788-D791 WeakPolarHBondContact CB-OD2 3.4Å; T788-D791 PolarHBondContact N-OD2 2.88Å; T788-D791 WeakPolarHBondContact O-CB 3.43Å; T788-D791 PolarHBondContact O-N 3.46Å; T788-D791 PolarHBondContact OG1-N 2.62Å; T788-D791 PolarHBondContact OG1-OD2 3.41Å; T788-Q792 PolarHBondContact O-N 3.21Å; T788-I840 HydrophobicContact CG2-CD1 3.84Å; T788-T848 HydrophobicContact CG2-CG2 3.73Å
789	M	92.2	Very high	92.4	Very high	51 Å²	51	48.9 Å²	48.9	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-56.5	-34.2	173.5	-171.6	-167.7	71.8	0	0	112.3	Q792 W793 L911 M915 F954 C958 I961	M789-Q792 PolarHBondContact O-N 2.82Å; M789-W793 WeakPolarHBondContact O-CB 3.38Å; M789-W793 PolarHBondContact O-N 3.07Å; M789-L911 HydrophobicContact CG-CD1 3.68Å; M789-L911 HydrophobicContact SD-CD1 4.12Å; M789-M915 HydrophobicContact CE-SD 3.64Å; M789-F954 HydrophobicContact CE-CE2 4.01Å; M789-F954 HydrophobicContact CE-CZ 4.09Å; M789-F954 HydrophobicContact SD-CD2 4.22Å; M789-F954 HydrophobicContact SD-CE2 3.41Å; M789-F954 WeakPolarHBondContact SD-CE2 3.17Å; M789-F954 HydrophobicContact SD-CZ 4.11Å; M789-C958 HydrophobicContact CE-CB 4.44Å; M789-C958 WeakPolarHBondContact CE-SG 3.38Å; M789-C958 VanDerWaalsContact SD-SG 3.66Å; M789-I961 HydrophobicContact CE-CD1 3.78Å
790	V	93.6	Very high	93.3	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-73.6	-31.2	179.3	180	0	0	0	0	111.5	T788 W793 I794 Y833 C836 I961	T788-V790 PolarHBondContact O-N 3.5Å; T788-V790 PolarHBondContact OG1-N 3.21Å; V790-W793 HydrophobicContact CG1-CE3 4.34Å; V790-W793 PolarHBondContact O-N 2.79Å; V790-I794 PolarHBondContact O-N 3.15Å; V790-Y833 HydrophobicContact CG1-CD2 3.63Å; V790-Y833 HydrophobicContact CG1-CE2 4.14Å; V790-C836 HydrophobicContact CB-CB 4.5Å; V790-C836 HydrophobicContact CG1-CB 3.76Å; V790-C836 HydrophobicContact CG2-CB 4.41Å; V790-I961 HydrophobicContact CG2-CD1 3.33Å; V790-I961 HydrophobicContact CG2-CG1 3.95Å
791	D	95.6	Very high	94.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-44.6	170.3	-62.4	-47.9	0	0	0	111.6	E787 T788 W793 I794 L795 Y833 C852 V855	E787-D791 HydrophobicContact CB-CB 3.91Å; E787-D791 HydrophobicContact CG-CB 4.29Å; T788-D791 WeakPolarHBondContact CB-OD2 3.4Å; T788-D791 PolarHBondContact N-OD2 2.88Å; T788-D791 WeakPolarHBondContact O-CB 3.43Å; T788-D791 PolarHBondContact O-N 3.46Å; T788-D791 PolarHBondContact OG1-N 2.62Å; T788-D791 PolarHBondContact OG1-OD2 3.41Å; D791-W793 VanDerWaalsContact C-N 3.32Å; D791-W793 PolarHBondContact O-N 3.38Å; D791-I794 VanDerWaalsContact O-CG2 3.23Å; D791-I794 WeakPolarHBondContact O-CG2 3.29Å; D791-I794 PolarHBondContact O-N 3.3Å; D791-L795 WeakPolarHBondContact O-CG 3.43Å; D791-L795 PolarHBondContact O-N 3.42Å; D791-Y833 VanDerWaalsContact OD1-CE2 3.24Å; D791-Y833 WeakPolarHBondContact OD1-CE2 3.47Å; D791-Y833 VanDerWaalsContact OD1-CZ 3.27Å; D791-Y833 PolarHBondContact OD1-OH 2.94Å; D791-C852 PolarHBondContact OD1-SG 3.28Å; D791-C852 PolarHBondContact OD2-SG 2.83Å; D791-V855 HydrophobicContact CB-CB 4.45Å; D791-V855 HydrophobicContact CB-CG1 4.15Å; D791-V855 HydrophobicContact CB-CG2 4.11Å
792	Q	95.5	Very high	94.6	Very high	88 Å²	88	36.7 Å²	36.7	41%	0.411	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-39.1	176	-65.6	-179.1	-0.4	0	0	111.7	E787 T788 M789 L795 S796 L911	E787-Q792 HydrophobicContact CB-CG 4.35Å; T788-Q792 PolarHBondContact O-N 3.21Å; M789-Q792 PolarHBondContact O-N 2.82Å; Q792-L795 PolarHBondContact O-N 2.89Å; Q792-S796 PolarHBondContact O-N 3.39Å; Q792-L911 HydrophobicContact CB-CD2 3.9Å
793	W	96.6	Very high	95	Very high	8 Å²	8	34.9 Å²	34.9	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-48.1	176.6	171.1	72.9	0	0	0	112	M789 V790 D791 L795 S796 R797 E828 V832 L911 M915 L919	M789-W793 WeakPolarHBondContact O-CB 3.38Å; M789-W793 PolarHBondContact O-N 3.07Å; V790-W793 HydrophobicContact CG1-CE3 4.34Å; V790-W793 PolarHBondContact O-N 2.79Å; D791-W793 VanDerWaalsContact C-N 3.32Å; D791-W793 PolarHBondContact O-N 3.38Å; W793-L795 PolarHBondContact O-N 3.02Å; W793-S796 WeakPolarHBondContact O-CB 3.36Å; W793-S796 PolarHBondContact O-N 2.75Å; W793-S796 VanDerWaalsContact O-N 3.08Å; W793-R797 HydrophobicContact CD2-CG 4.06Å; W793-R797 HydrophobicContact CG-CG 4.39Å; W793-R797 HydrophobicContact CZ2-CG 3.82Å; W793-R797 WeakPolarHBondContact O-CG 3.24Å; W793-R797 PolarHBondContact O-N 2.77Å; W793-E828 HydrophobicContact CH2-CB 4.11Å; W793-V832 HydrophobicContact CE3-CG1 4.36Å; W793-V832 HydrophobicContact CH2-CB 3.72Å; W793-V832 HydrophobicContact CH2-CG1 3.58Å; W793-V832 HydrophobicContact CH2-CG2 4.18Å; W793-V832 HydrophobicContact CZ3-CB 3.87Å; W793-V832 HydrophobicContact CZ3-CG1 3.47Å; W793-V832 VanDerWaalsContact CZ3-CG1 3.47Å; W793-L911 HydrophobicContact CB-CD2 3.94Å; W793-L911 HydrophobicContact CB-CG 4.18Å; W793-M915 HydrophobicContact CB-CG 4.14Å; W793-M915 HydrophobicContact CD2-CE 3.84Å; W793-M915 HydrophobicContact CD2-CG 4.37Å; W793-M915 HydrophobicContact CE3-CE 4.11Å; W793-M915 HydrophobicContact CG-CB 4.13Å; W793-M915 HydrophobicContact CG-CE 4.07Å; W793-M915 HydrophobicContact CG-CG 3.73Å; W793-L919 HydrophobicContact CZ2-CD1 4.07Å
794	I	97.6	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-31.4	-179.4	-166.3	62	0	0	0	112	V790 D791 R797 L798 F824 E828 L829 Y833 V855	V790-I794 PolarHBondContact O-N 3.15Å; D791-I794 VanDerWaalsContact O-CG2 3.23Å; D791-I794 WeakPolarHBondContact O-CG2 3.29Å; D791-I794 PolarHBondContact O-N 3.3Å; I794-R797 PolarHBondContact O-N 2.9Å; I794-L798 VanDerWaalsContact O-CB 3.32Å; I794-L798 WeakPolarHBondContact O-CB 3.42Å; I794-L798 PolarHBondContact O-N 3.38Å; I794-F824 HydrophobicContact CD1-CE2 3.72Å; I794-F824 HydrophobicContact CD1-CZ 4.05Å; I794-F824 HydrophobicContact CG1-CE2 4.22Å; I794-F824 HydrophobicContact CG1-CZ 4.28Å; I794-E828 HydrophobicContact CD1-CB 4.04Å; I794-L829 HydrophobicContact CD1-CD1 4.45Å; I794-L829 HydrophobicContact CG1-CD1 4.36Å; I794-Y833 HydrophobicContact CB-CD2 3.6Å; I794-Y833 HydrophobicContact CB-CE2 4.06Å; I794-Y833 HydrophobicContact CB-CG 3.95Å; I794-Y833 HydrophobicContact CD1-CG 4.41Å; I794-Y833 HydrophobicContact CG1-CD1 4.27Å; I794-Y833 HydrophobicContact CG1-CD2 4.09Å; I794-Y833 HydrophobicContact CG1-CG 3.9Å; I794-Y833 HydrophobicContact CG2-CD1 4.38Å; I794-Y833 HydrophobicContact CG2-CD2 3.47Å; I794-Y833 VanDerWaalsContact CG2-CD2 3.47Å; I794-Y833 HydrophobicContact CG2-CE1 4.22Å; I794-Y833 HydrophobicContact CG2-CE2 3.37Å; I794-Y833 HydrophobicContact CG2-CG 4.03Å; I794-V855 HydrophobicContact CG2-CG1 3.74Å
795	L	97.6	Very high	95.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-39.9	172.9	-69.8	171.5	0	0	0	112.1	F781 L783 D791 Q792 W793 L798 S799 V855 F858 W906	F781-L795 HydrophobicContact CE1-CD1 4.26Å; F781-L795 HydrophobicContact CE1-CD2 4.1Å; F781-L795 HydrophobicContact CZ-CD1 4.18Å; F781-L795 HydrophobicContact CZ-CD2 4.11Å; L783-L795 HydrophobicContact CD2-CD1 3.71Å; D791-L795 WeakPolarHBondContact O-CG 3.43Å; D791-L795 PolarHBondContact O-N 3.42Å; Q792-L795 PolarHBondContact O-N 2.89Å; W793-L795 PolarHBondContact O-N 3.02Å; L795-L798 PolarHBondContact O-N 2.79Å; L795-S799 WeakPolarHBondContact O-CB 3.08Å; L795-S799 PolarHBondContact O-N 3.27Å; L795-V855 HydrophobicContact CD1-CG1 4.45Å; L795-V855 HydrophobicContact CD1-CG2 4.41Å; L795-V855 HydrophobicContact CD2-CG1 4.23Å; L795-V855 HydrophobicContact CG-CG1 4.08Å; L795-F858 HydrophobicContact CD2-CD1 3.81Å; L795-F858 HydrophobicContact CD2-CE1 4.04Å; L795-W906 HydrophobicContact CB-CB 3.79Å; L795-W906 HydrophobicContact CB-CD2 4.4Å; L795-W906 HydrophobicContact CB-CG 4.1Å; L795-W906 HydrophobicContact CD1-CD2 4.49Å; L795-W906 HydrophobicContact CD1-CG 4.37Å; L795-W906 HydrophobicContact CD2-CE3 4.25Å
796	S	97.4	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-45.2	172.8	176.8	0	0	0	0	111.8	Q792 W793 S799 T800 W906 N908 D912	Q792-S796 PolarHBondContact O-N 3.39Å; W793-S796 WeakPolarHBondContact O-CB 3.36Å; W793-S796 PolarHBondContact O-N 2.75Å; W793-S796 VanDerWaalsContact O-N 3.08Å; S796-S799 WeakPolarHBondContact O-CB 3.4Å; S796-S799 PolarHBondContact O-N 3.08Å; S796-T800 PolarHBondContact O-N 3.41Å; S796-T800 PolarHBondContact O-OG1 3.45Å; S796-W906 VanDerWaalsContact CA-O 3.29Å; S796-W906 WeakPolarHBondContact CA-O 3.28Å; S796-W906 WeakPolarHBondContact CB-O 3.44Å; S796-N908 PolarHBondContact OG-N 2.9Å; S796-N908 PolarHBondContact OG-O 3.4Å; S796-D912 WeakPolarHBondContact CB-OD1 3.24Å; S796-D912 VanDerWaalsContact OG-CG 3.28Å; S796-D912 PolarHBondContact OG-OD1 3.49Å; S796-D912 PolarHBondContact OG-OD2 3.07Å
797	R	97.8	Very high	96.4	Very high	66 Å²	66	27.5 Å²	27.5	25%	0.249	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-41.7	176.8	-64.9	-45.2	-60	166.9	-2.5	112.8	W793 I794 T800 A801 E828 D912	W793-R797 HydrophobicContact CD2-CG 4.06Å; W793-R797 HydrophobicContact CG-CG 4.39Å; W793-R797 HydrophobicContact CZ2-CG 3.82Å; W793-R797 WeakPolarHBondContact O-CG 3.24Å; W793-R797 PolarHBondContact O-N 2.77Å; I794-R797 PolarHBondContact O-N 2.9Å; R797-T800 WeakPolarHBondContact O-CB 3.36Å; R797-T800 PolarHBondContact O-N 3.48Å; R797-A801 PolarHBondContact O-N 3.35Å; R797-E828 WeakPolarHBondContact CB-OE2 3.46Å; R797-E828 HydrophobicContact CG-CG 4.49Å; R797-E828 IonicContact CZ-OE1 2.73Å; R797-E828 IonicContact NE-OE1 3.23Å; R797-E828 PolarHBondContact NE-OE1 2.74Å; R797-E828 IonicContact NE-OE2 2.77Å; R797-E828 IonicContact NH2-OE1 3.51Å; R797-E828 PolarHBondContact NH2-OE1 3.32Å; R797-D912 WeakPolarHBondContact CD-OD2 3.24Å; R797-D912 IonicContact CZ-OD2 2.69Å; R797-D912 IonicContact NE-OD2 3.98Å; R797-D912 IonicContact NH1-OD2 2.91Å; R797-D912 PolarHBondContact NH1-OD2 2.56Å
798	L	97.9	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-44.9	173.7	179.6	62	0	0	0	111.5	I794 L795 T800 A801 V802 F824 F858 C859 A862 L866 F904	I794-L798 VanDerWaalsContact O-CB 3.32Å; I794-L798 WeakPolarHBondContact O-CB 3.42Å; I794-L798 PolarHBondContact O-N 3.38Å; L795-L798 PolarHBondContact O-N 2.79Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 2.76Å; L798-A801 PolarHBondContact O-N 3.12Å; L798-A801 VanDerWaalsContact O-N 3.13Å; L798-V802 HydrophobicContact CD1-CG2 4.28Å; L798-V802 HydrophobicContact CG-CG2 4.38Å; L798-V802 VanDerWaalsContact O-CG2 3.29Å; L798-V802 WeakPolarHBondContact O-CG2 3.47Å; L798-V802 PolarHBondContact O-N 2.77Å; L798-F824 HydrophobicContact CB-CD2 4.39Å; L798-F824 HydrophobicContact CB-CE2 3.59Å; L798-F824 HydrophobicContact CB-CZ 4.04Å; L798-F824 HydrophobicContact CD1-CD2 4.38Å; L798-F824 HydrophobicContact CD1-CE1 4.16Å; L798-F824 HydrophobicContact CD1-CE2 3.88Å; L798-F824 HydrophobicContact CD1-CZ 3.75Å; L798-F824 HydrophobicContact CG-CE2 4.32Å; L798-F824 HydrophobicContact CG-CZ 4.38Å; L798-F858 HydrophobicContact CD2-CD1 4.36Å; L798-F858 HydrophobicContact CD2-CE1 4.17Å; L798-C859 HydrophobicContact CD2-CB 4.29Å; L798-A862 HydrophobicContact CD1-CB 4.17Å; L798-A862 HydrophobicContact CD2-CB 3.97Å; L798-L866 HydrophobicContact CD1-CD1 4.35Å; L798-F904 HydrophobicContact CD2-CD1 3.83Å; L798-F904 HydrophobicContact CD2-CE1 3.66Å; L798-F904 HydrophobicContact CG-CD1 3.98Å; L798-F904 HydrophobicContact CG-CE1 4.07Å
799	S	97.6	Very high	96.8	Very high	12 Å²	12	25 Å²	25	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-56.3	-44.2	175.5	179.4	0	0	0	0	111.6	L795 S796 V802 H803 F904	L795-S799 WeakPolarHBondContact O-CB 3.08Å; L795-S799 PolarHBondContact O-N 3.27Å; S796-S799 WeakPolarHBondContact O-CB 3.4Å; S796-S799 PolarHBondContact O-N 3.08Å; S799-V802 PolarHBondContact O-N 2.79Å; S799-H803 PolarHBondContact O-N 3.2Å; S799-F904 VanDerWaalsContact CB-O 3.26Å; S799-F904 WeakPolarHBondContact CB-O 3.17Å; S799-F904 PolarHBondContact OG-O 3Å
800	T	97.2	Very high	96.9	Very high	26 Å²	26	28.8 Å²	28.8	16%	0.16	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-45	174.9	-61	0	0	0	0	111.9	S796 R797 L798 V802 H803 L804	S796-T800 PolarHBondContact O-N 3.41Å; S796-T800 PolarHBondContact O-OG1 3.45Å; R797-T800 WeakPolarHBondContact O-CB 3.36Å; R797-T800 PolarHBondContact O-N 3.48Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 2.76Å; T800-V802 PolarHBondContact O-N 3.28Å; T800-H803 PolarHBondContact O-N 3.18Å; T800-L804 HydrophobicContact CG2-CD1 4.01Å; T800-L804 HydrophobicContact CG2-CG 4.46Å; T800-L804 WeakPolarHBondContact O-CG 3.35Å; T800-L804 PolarHBondContact O-N 3.4Å
801	A	98	Very high	96.9	Very high	5 Å²	5	31.7 Å²	31.7	4%	0.041	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-43.1	177.2	0	0	0	0	0	112	R797 L798 H803 L804 C805 F824 L866	R797-A801 PolarHBondContact O-N 3.35Å; L798-A801 PolarHBondContact O-N 3.12Å; L798-A801 VanDerWaalsContact O-N 3.13Å; A801-H803 VanDerWaalsContact C-N 3.35Å; A801-H803 PolarHBondContact O-N 2.82Å; A801-L804 PolarHBondContact O-N 3.27Å; A801-C805 WeakPolarHBondContact O-CB 3.47Å; A801-C805 PolarHBondContact O-N 2.95Å; A801-C805 PolarHBondContact O-SG 3.48Å; A801-F824 HydrophobicContact CB-CB 4.1Å; A801-F824 HydrophobicContact CB-CD2 4.25Å; A801-F824 HydrophobicContact CB-CG 4.35Å; A801-L866 HydrophobicContact CB-CD1 4.45Å
802	V	98.2	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-45.5	176.1	171.9	0	0	0	0	110.7	L798 S799 T800 C805 N806 L866 P899 F904	L798-V802 HydrophobicContact CD1-CG2 4.28Å; L798-V802 HydrophobicContact CG-CG2 4.38Å; L798-V802 VanDerWaalsContact O-CG2 3.29Å; L798-V802 WeakPolarHBondContact O-CG2 3.47Å; L798-V802 PolarHBondContact O-N 2.77Å; S799-V802 PolarHBondContact O-N 2.79Å; T800-V802 PolarHBondContact O-N 3.28Å; V802-C805 PolarHBondContact O-N 3Å; V802-N806 PolarHBondContact O-N 3.03Å; V802-N806 PolarHBondContact O-ND2 3.14Å; V802-L866 HydrophobicContact CG2-CD1 3.91Å; V802-L866 HydrophobicContact CG2-CD2 4.18Å; V802-L866 HydrophobicContact CG2-CG 4.43Å; V802-P899 HydrophobicContact CG1-CB 4.12Å; V802-P899 HydrophobicContact CG2-CB 3.97Å; V802-F904 HydrophobicContact CB-CD2 4.36Å; V802-F904 HydrophobicContact CG1-CD2 3.95Å; V802-F904 HydrophobicContact CG1-CE2 4.37Å; V802-F904 HydrophobicContact CG2-CD1 4.23Å; V802-F904 HydrophobicContact CG2-CD2 3.92Å; V802-F904 HydrophobicContact CG2-CE1 4.35Å; V802-F904 HydrophobicContact CG2-CE2 4.09Å; V802-F904 HydrophobicContact CG2-CG 4.03Å; V802-F904 HydrophobicContact CG2-CZ 4.29Å
803	H	97.3	Very high	96.8	Very high	105 Å²	105	32.2 Å²	32.2	49%	0.486	16%	0.157	S	C	.	.	H	α-helix	trans	-61.4	-52.1	178.4	-175	71.4	0	0	0	112	S799 T800 A801 C805 N806 E807	S799-H803 PolarHBondContact O-N 3.2Å; T800-H803 PolarHBondContact O-N 3.18Å; A801-H803 VanDerWaalsContact C-N 3.35Å; A801-H803 PolarHBondContact O-N 2.82Å; H803-C805 VanDerWaalsContact C-N 3.28Å; H803-C805 PolarHBondContact O-N 3.13Å; H803-N806 PolarHBondContact O-N 3.27Å; H803-E807 PolarHBondContact O-N 2.68Å
804	L	97.5	Very high	96.8	Very high	70 Å²	70	31.8 Å²	31.8	37%	0.366	16%	0.155	S	C	.	.	H	α-helix	trans	-60.4	-36.9	179.3	-70.6	172.4	0	0	0	112.6	T800 A801 G808 A820	T800-L804 HydrophobicContact CG2-CD1 4.01Å; T800-L804 HydrophobicContact CG2-CG 4.46Å; T800-L804 WeakPolarHBondContact O-CG 3.35Å; T800-L804 PolarHBondContact O-N 3.4Å; A801-L804 PolarHBondContact O-N 3.27Å; L804-G808 PolarHBondContact O-N 3.17Å; L804-A820 HydrophobicContact CB-CB 3.96Å; L804-A820 HydrophobicContact CD1-CB 4.3Å
805	C	98.1	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68	-44.7	177	-67.6	0	0	0	0	111.8	A801 V802 H803 G808 F809 V817 C821 L866	A801-C805 WeakPolarHBondContact O-CB 3.47Å; A801-C805 PolarHBondContact O-N 2.95Å; A801-C805 PolarHBondContact O-SG 3.48Å; V802-C805 PolarHBondContact O-N 3Å; H803-C805 VanDerWaalsContact C-N 3.28Å; H803-C805 PolarHBondContact O-N 3.13Å; C805-G808 PolarHBondContact O-N 3.34Å; C805-F809 VanDerWaalsContact O-CD2 3.24Å; C805-F809 WeakPolarHBondContact O-CD2 3.45Å; C805-F809 PolarHBondContact O-N 2.96Å; C805-F809 VanDerWaalsContact O-N 3.07Å; C805-V817 HydrophobicContact CB-CG1 3.83Å; C805-C821 VanDerWaalsContact SG-SG 3.67Å; C805-L866 HydrophobicContact CB-CD2 4.05Å
806	N	97.3	Very high	96.5	Very high	9 Å²	9	38 Å²	38	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-43.2	177.8	-82.2	-82.9	0	0	0	111.6	V802 H803 Q810 P899	V802-N806 PolarHBondContact O-N 3.03Å; V802-N806 PolarHBondContact O-ND2 3.14Å; H803-N806 PolarHBondContact O-N 3.27Å; N806-Q810 VanDerWaalsContact O-CG 3.28Å; N806-Q810 WeakPolarHBondContact O-CG 3.47Å; N806-Q810 PolarHBondContact O-N 2.83Å; N806-P899 PolarHBondContact ND2-O 2.83Å
807	E	97	Very high	96.5	Very high	77 Å²	77	38 Å²	38	36%	0.36	18%	0.184	S	C	.	.	H	α-helix	trans	-60.6	-50.6	174.7	-173.6	-170.5	-179.2	0	0	111.1	H803 F809 Q810 T811	H803-E807 PolarHBondContact O-N 2.68Å; E807-F809 VanDerWaalsContact C-N 3.32Å; E807-F809 PolarHBondContact O-N 2.75Å; E807-Q810 WeakPolarHBondContact O-CB 3.41Å; E807-Q810 PolarHBondContact O-N 3.31Å; E807-T811 HydrophobicContact CG-CG2 4.44Å; E807-T811 PolarHBondContact O-N 2.74Å; E807-T811 PolarHBondContact O-OG1 2.85Å
808	G	96.6	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-34.2	-177.1	0	0	0	0	0	113.9	L804 C805 T811 Y812 E813	L804-G808 PolarHBondContact O-N 3.17Å; C805-G808 PolarHBondContact O-N 3.34Å; G808-T811 PolarHBondContact O-OG1 3.27Å; G808-Y812 PolarHBondContact O-N 3.03Å; G808-Y812 VanDerWaalsContact O-N 3.1Å; G808-E813 PolarHBondContact O-N 3.45Å
809	F	96.4	Very high	96.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-39.7	171.6	-85	-61.9	0	0	0	112.4	C156 L157 W160 C805 E807 T811 Y812 F814 V817 P869 F870 Y898	C156-F809 HydrophobicContact CB-CE1 4.36Å; L157-F809 HydrophobicContact CD2-CD1 4.25Å; W160-F809 HydrophobicContact CB-CD1 4.23Å; W160-F809 HydrophobicContact CB-CE1 4.11Å; W160-F809 HydrophobicContact CB-CE2 4.41Å; W160-F809 HydrophobicContact CB-CG 4.44Å; W160-F809 HydrophobicContact CB-CZ 4.2Å; W160-F809 AromaticContact CD1-CD2 3.53Å; W160-F809 AromaticContact CD1-CE2 3.82Å; W160-F809 AromaticContact CD1-CG 3.93Å; W160-F809 HydrophobicContact CD2-CB 3.74Å; W160-F809 HydrophobicContact CD2-CD1 4.2Å; W160-F809 HydrophobicContact CD2-CD2 4.21Å; W160-F809 AromaticContact CD2-CG 3.82Å; W160-F809 HydrophobicContact CD2-CG 3.82Å; W160-F809 AromaticContact CE2-CG 3.95Å; W160-F809 HydrophobicContact CE3-CB 4.04Å; W160-F809 HydrophobicContact CE3-CG 4.37Å; W160-F809 HydrophobicContact CG-CB 4.28Å; W160-F809 HydrophobicContact CG-CD1 4.07Å; W160-F809 AromaticContact CG-CD2 3.86Å; W160-F809 HydrophobicContact CG-CD2 3.86Å; W160-F809 HydrophobicContact CG-CE1 4.34Å; W160-F809 HydrophobicContact CG-CE2 4.14Å; W160-F809 AromaticContact CG-CG 3.82Å; W160-F809 HydrophobicContact CG-CG 3.82Å; W160-F809 HydrophobicContact CG-CZ 4.37Å; W160-F809 HydrophobicContact CH2-CB 4.03Å; W160-F809 HydrophobicContact CZ2-CB 3.74Å; W160-F809 HydrophobicContact CZ3-CB 4.16Å; W160-F809 AromaticContact NE1-CD2 3.69Å; W160-F809 AromaticContact NE1-CG 4Å; C805-F809 VanDerWaalsContact O-CD2 3.24Å; C805-F809 WeakPolarHBondContact O-CD2 3.45Å; C805-F809 PolarHBondContact O-N 2.96Å; C805-F809 VanDerWaalsContact O-N 3.07Å; E807-F809 VanDerWaalsContact C-N 3.32Å; E807-F809 PolarHBondContact O-N 2.75Å; F809-T811 VanDerWaalsContact C-N 3.33Å; F809-T811 PolarHBondContact O-N 3.4Å; F809-Y812 PolarHBondContact O-N 3.06Å; F809-F814 HydrophobicContact CD1-CD1 4.44Å; F809-F814 HydrophobicContact CD1-CE1 4.33Å; F809-F814 HydrophobicContact CE1-CD1 4.4Å; F809-V817 HydrophobicContact CD2-CG1 4.08Å; F809-V817 HydrophobicContact CD2-CG2 4.26Å; F809-V817 HydrophobicContact CE2-CG1 3.66Å; F809-V817 HydrophobicContact CG-CG2 4.39Å; F809-V817 HydrophobicContact CZ-CG1 4.14Å; F809-P869 HydrophobicContact CZ-CB 3.87Å; F809-P869 HydrophobicContact CZ-CG 4.16Å; F809-F870 HydrophobicContact CE1-CE1 4.49Å; F809-F870 HydrophobicContact CE1-CE2 4.09Å; F809-F870 AromaticContact CE1-CZ 3.69Å; F809-F870 HydrophobicContact CE1-CZ 3.69Å; F809-F870 AromaticContact CE2-CE2 3.96Å; F809-F870 HydrophobicContact CE2-CE2 3.96Å; F809-F870 HydrophobicContact CE2-CZ 4.3Å; F809-F870 HydrophobicContact CZ-CD2 4.31Å; F809-F870 HydrophobicContact CZ-CE1 4.46Å; F809-F870 AromaticContact CZ-CE2 3.32Å; F809-F870 HydrophobicContact CZ-CE2 3.32Å; F809-F870 AromaticContact CZ-CZ 3.41Å; F809-F870 HydrophobicContact CZ-CZ 3.41Å; F809-F870 VanDerWaalsContact CZ-CZ 3.41Å; F809-Y898 HydrophobicContact CE2-CE2 4.4Å; F809-Y898 AromaticContact CE2-CZ 3.97Å; F809-Y898 WeakPolarHBondContact CE2-OH 3.48Å
810	Q	94.5	Very high	96.5	Very high	130 Å²	130	38 Å²	38	61%	0.607	19%	0.194	S	C	*	.	H	α-helix	trans	-66.7	-34.3	177.4	-70.6	171.8	5.4	0	0	112.4	W160 N806 E807	W160-Q810 HydrophobicContact CH2-CG 3.97Å; W160-Q810 HydrophobicContact CZ2-CG 4.31Å; N806-Q810 VanDerWaalsContact O-CG 3.28Å; N806-Q810 WeakPolarHBondContact O-CG 3.47Å; N806-Q810 PolarHBondContact O-N 2.83Å; E807-Q810 WeakPolarHBondContact O-CB 3.41Å; E807-Q810 PolarHBondContact O-N 3.31Å
811	T	94.1	Very high	96.5	Very high	66 Å²	66	36.9 Å²	36.9	41%	0.405	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1	-179.6	62.3	0	0	0	0	114.4	E807 G808 F809 E813	E807-T811 HydrophobicContact CG-CG2 4.44Å; E807-T811 PolarHBondContact O-N 2.74Å; E807-T811 PolarHBondContact O-OG1 2.85Å; G808-T811 PolarHBondContact O-OG1 3.27Å; F809-T811 VanDerWaalsContact C-N 3.33Å; F809-T811 PolarHBondContact O-N 3.4Å; T811-E813 PolarHBondContact O-N 3.25Å; T811-E813 WeakPolarHBondContact OG1-CG 3.45Å; T811-E813 PolarHBondContact OG1-OE2 3.23Å
812	Y	94.3	Very high	96.5	Very high	35 Å²	35	38.6 Å²	38.6	14%	0.137	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	27.5	-175	-58.7	-103.4	0	0	0	113.8	L157 L510 L625 Y657 G808 F809 F814	L157-Y812 HydrophobicContact CD1-CD1 4.2Å; L157-Y812 HydrophobicContact CD1-CE1 3.95Å; L157-Y812 HydrophobicContact CD2-CE1 4.43Å; L510-Y812 HydrophobicContact CD1-CD2 3.71Å; L510-Y812 HydrophobicContact CD1-CE2 3.67Å; L510-Y812 HydrophobicContact CD1-CG 4.4Å; L625-Y812 HydrophobicContact CD1-CE1 4.06Å; L625-Y812 HydrophobicContact CD2-CE1 3.91Å; Y657-Y812 HydrophobicContact CD1-CD1 4.35Å; Y657-Y812 AromaticContact CD2-CD1 3.74Å; Y657-Y812 HydrophobicContact CD2-CD1 3.74Å; Y657-Y812 AromaticContact CD2-CG 3.93Å; Y657-Y812 HydrophobicContact CD2-CG 3.93Å; Y657-Y812 HydrophobicContact CE2-CD1 4.17Å; Y657-Y812 HydrophobicContact CE2-CG 4.13Å; Y657-Y812 AromaticContact CG-CD1 3.84Å; Y657-Y812 HydrophobicContact CG-CD1 3.84Å; Y657-Y812 HydrophobicContact CG-CE1 4.36Å; Y657-Y812 HydrophobicContact CG-CG 4.49Å; Y657-Y812 PolarHBondContact OH-O 3.08Å; G808-Y812 PolarHBondContact O-N 3.03Å; G808-Y812 VanDerWaalsContact O-N 3.1Å; F809-Y812 PolarHBondContact O-N 3.06Å; Y812-F814 HydrophobicContact CD1-CZ 4.1Å; Y812-F814 PolarHBondContact O-N 2.91Å
813	E	94.2	Very high	96.4	Very high	64 Å²	64	40.5 Å²	40.5	30%	0.299	21%	0.208	S	C	.	.			trans	-98.3	67.6	177.9	-67.5	178.7	110.4	0	0	110.8	G808 T811 N815 K816 V817	G808-E813 PolarHBondContact O-N 3.45Å; T811-E813 PolarHBondContact O-N 3.25Å; T811-E813 WeakPolarHBondContact OG1-CG 3.45Å; T811-E813 PolarHBondContact OG1-OE2 3.23Å; E813-N815 PolarHBondContact O-N 3.21Å; E813-N815 VanDerWaalsContact O-N 3.14Å; E813-K816 HydrophobicContact CB-CB 4.29Å; E813-K816 HydrophobicContact CB-CD 3.91Å; E813-K816 HydrophobicContact CB-CG 4.05Å; E813-K816 HydrophobicContact CG-CD 4.45Å; E813-K816 WeakPolarHBondContact O-CB 2.97Å; E813-K816 PolarHBondContact O-N 3.38Å; E813-K816 WeakPolarHBondContact OE1-CE 3.5Å; E813-K816 IonicContact OE1-NZ 2.77Å; E813-K816 PolarHBondContact OE1-NZ 2.9Å; E813-K816 WeakPolarHBondContact OE2-CD 3.23Å; E813-K816 VanDerWaalsContact OE2-CE 3.3Å; E813-K816 WeakPolarHBondContact OE2-CE 3.46Å; E813-K816 IonicContact OE2-NZ 4Å; E813-K816 PolarHBondContact OE2-NZ 3.04Å; E813-V817 PolarHBondContact O-N 2.72Å
814	F	95.5	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-32.7	-175.1	-51.8	-68.6	0	0	0	113.5	I153 L157 Y657 C734 T737 F809 Y812 K816 V817 T818 F870	I153-F814 HydrophobicContact CG1-CD2 4.35Å; I153-F814 HydrophobicContact CG1-CE2 4.26Å; I153-F814 HydrophobicContact CG2-CD2 4.49Å; I153-F814 HydrophobicContact CG2-CE1 4.48Å; I153-F814 HydrophobicContact CG2-CE2 3.63Å; I153-F814 HydrophobicContact CG2-CZ 3.64Å; L157-F814 HydrophobicContact CD1-CE1 4.36Å; L157-F814 HydrophobicContact CD1-CZ 3.96Å; L157-F814 HydrophobicContact CD2-CE1 3.79Å; L157-F814 HydrophobicContact CD2-CZ 4.11Å; L157-F814 HydrophobicContact CG-CE1 3.89Å; L157-F814 HydrophobicContact CG-CZ 4.02Å; Y657-F814 AromaticContact CE1-CE2 3.73Å; Y657-F814 HydrophobicContact CE1-CE2 3.73Å; Y657-F814 HydrophobicContact CE1-CZ 4.47Å; Y657-F814 AromaticContact CZ-CE2 3.74Å; Y657-F814 WeakPolarHBondContact OH-CE2 3.12Å; C734-F814 HydrophobicContact CB-CB 4.23Å; T737-F814 HydrophobicContact CG2-CD2 4.44Å; F809-F814 HydrophobicContact CD1-CD1 4.44Å; F809-F814 HydrophobicContact CD1-CE1 4.33Å; F809-F814 HydrophobicContact CE1-CD1 4.4Å; Y812-F814 HydrophobicContact CD1-CZ 4.1Å; Y812-F814 PolarHBondContact O-N 2.91Å; F814-K816 VanDerWaalsContact C-N 3.3Å; F814-K816 PolarHBondContact O-N 2.85Å; F814-V817 PolarHBondContact O-N 2.74Å; F814-T818 WeakPolarHBondContact O-CG2 3.44Å; F814-T818 PolarHBondContact O-N 2.79Å; F814-T818 PolarHBondContact O-OG1 3.28Å; F814-F870 HydrophobicContact CB-CE1 4.33Å; F814-F870 HydrophobicContact CD1-CE1 4.39Å; F814-F870 HydrophobicContact CD1-CZ 4.46Å
815	N	94.6	Very high	96.5	Very high	45 Å²	45	32.3 Å²	32.3	24%	0.241	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-38	175.6	68.4	-50.8	0	0	0	112.2	A735 E813 T818 S819	A735-N815 WeakPolarHBondContact O-CB 3.35Å; E813-N815 PolarHBondContact O-N 3.21Å; E813-N815 VanDerWaalsContact O-N 3.14Å; N815-T818 WeakPolarHBondContact CA-OG1 3.39Å; N815-T818 PolarHBondContact O-OG1 3.06Å; N815-S819 VanDerWaalsContact O-CB 3.29Å; N815-S819 WeakPolarHBondContact O-CB 3.39Å; N815-S819 PolarHBondContact O-N 2.87Å; N815-S819 PolarHBondContact O-OG 3Å
816	K	95.8	Very high	96.4	Very high	87 Å²	87	33.9 Å²	33.9	38%	0.378	18%	0.176	S	C	.	.	H	α-helix	trans	-64	-44.4	174.8	-70.2	-175.1	178.1	171.4	0	110.7	E813 F814 S819 A820	E813-K816 HydrophobicContact CB-CB 4.29Å; E813-K816 HydrophobicContact CB-CD 3.91Å; E813-K816 HydrophobicContact CB-CG 4.05Å; E813-K816 HydrophobicContact CG-CD 4.45Å; E813-K816 WeakPolarHBondContact O-CB 2.97Å; E813-K816 PolarHBondContact O-N 3.38Å; E813-K816 WeakPolarHBondContact OE1-CE 3.5Å; E813-K816 IonicContact OE1-NZ 2.77Å; E813-K816 PolarHBondContact OE1-NZ 2.9Å; E813-K816 WeakPolarHBondContact OE2-CD 3.23Å; E813-K816 VanDerWaalsContact OE2-CE 3.3Å; E813-K816 WeakPolarHBondContact OE2-CE 3.46Å; E813-K816 IonicContact OE2-NZ 4Å; E813-K816 PolarHBondContact OE2-NZ 3.04Å; F814-K816 VanDerWaalsContact C-N 3.3Å; F814-K816 PolarHBondContact O-N 2.85Å; K816-S819 PolarHBondContact O-N 2.74Å; K816-A820 WeakPolarHBondContact O-CB 3.42Å; K816-A820 PolarHBondContact O-N 3.43Å
817	V	97.7	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-48.5	178.3	-169.6	0	0	0	0	111.3	C805 F809 E813 F814 S819 A820 C821 F870	C805-V817 HydrophobicContact CB-CG1 3.83Å; F809-V817 HydrophobicContact CD2-CG1 4.08Å; F809-V817 HydrophobicContact CD2-CG2 4.26Å; F809-V817 HydrophobicContact CE2-CG1 3.66Å; F809-V817 HydrophobicContact CG-CG2 4.39Å; F809-V817 HydrophobicContact CZ-CG1 4.14Å; E813-V817 PolarHBondContact O-N 2.72Å; F814-V817 PolarHBondContact O-N 2.74Å; V817-S819 VanDerWaalsContact C-N 3.28Å; V817-S819 PolarHBondContact O-N 3.35Å; V817-A820 PolarHBondContact O-N 2.97Å; V817-C821 PolarHBondContact O-N 3.29Å; V817-C821 PolarHBondContact O-SG 3.01Å; V817-C821 VanDerWaalsContact O-SG 3.38Å; V817-F870 HydrophobicContact CB-CE2 4.02Å; V817-F870 HydrophobicContact CB-CZ 3.95Å; V817-F870 HydrophobicContact CG1-CE2 3.42Å; V817-F870 VanDerWaalsContact CG1-CE2 3.42Å; V817-F870 HydrophobicContact CG1-CZ 3.84Å
818	T	97.3	Very high	96.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-37.6	176.6	59.8	0	0	0	0	111.8	F731 C734 A735 F814 N815 H822 F870	F731-T818 HydrophobicContact CD1-CG2 4.48Å; F731-T818 HydrophobicContact CD2-CG2 4.04Å; F731-T818 HydrophobicContact CE1-CG2 4.33Å; F731-T818 HydrophobicContact CE2-CG2 3.85Å; F731-T818 HydrophobicContact CG-CG2 4.38Å; F731-T818 HydrophobicContact CZ-CG2 4.03Å; F731-T818 VanDerWaalsContact CZ-O 3.28Å; F731-T818 WeakPolarHBondContact CZ-O 3.37Å; C734-T818 HydrophobicContact CB-CG2 4.03Å; A735-T818 WeakPolarHBondContact CA-OG1 3.46Å; A735-T818 HydrophobicContact CB-CG2 4.35Å; A735-T818 WeakPolarHBondContact CB-OG1 3.31Å; F814-T818 WeakPolarHBondContact O-CG2 3.44Å; F814-T818 PolarHBondContact O-N 2.79Å; F814-T818 PolarHBondContact O-OG1 3.28Å; N815-T818 WeakPolarHBondContact CA-OG1 3.39Å; N815-T818 PolarHBondContact O-OG1 3.06Å; T818-H822 WeakPolarHBondContact O-CB 3.35Å; T818-H822 PolarHBondContact O-N 3.46Å; T818-F870 HydrophobicContact CG2-CD1 4.15Å; T818-F870 HydrophobicContact CG2-CE1 4.12Å; T818-F870 HydrophobicContact CG2-CG 4.4Å; T818-F870 HydrophobicContact CG2-CZ 4.36Å
819	S	97	Very high	96.2	Very high	65 Å²	65	36.8 Å²	36.8	46%	0.455	19%	0.185	S	C	.	.	H	α-helix	trans	-69	-39.3	178.9	-60.7	0	0	0	0	111.8	N815 K816 V817 S823	N815-S819 VanDerWaalsContact O-CB 3.29Å; N815-S819 WeakPolarHBondContact O-CB 3.39Å; N815-S819 PolarHBondContact O-N 2.87Å; N815-S819 PolarHBondContact O-OG 3Å; K816-S819 PolarHBondContact O-N 2.74Å; V817-S819 VanDerWaalsContact C-N 3.28Å; V817-S819 PolarHBondContact O-N 3.35Å; S819-S823 VanDerWaalsContact O-CB 3.23Å; S819-S823 WeakPolarHBondContact O-CB 3.05Å; S819-S823 PolarHBondContact O-N 2.68Å; S819-S823 PolarHBondContact O-OG 2.78Å
820	A	97.7	Very high	96.2	Very high	9 Å²	9	37 Å²	37	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-49.5	175	0	0	0	0	0	111.1	L804 K816 V817 H822 S823 F824	L804-A820 HydrophobicContact CB-CB 3.96Å; L804-A820 HydrophobicContact CD1-CB 4.3Å; K816-A820 WeakPolarHBondContact O-CB 3.42Å; K816-A820 PolarHBondContact O-N 3.43Å; V817-A820 PolarHBondContact O-N 2.97Å; A820-H822 PolarHBondContact O-N 3.19Å; A820-S823 PolarHBondContact O-N 2.95Å; A820-F824 WeakPolarHBondContact O-CB 3.34Å; A820-F824 PolarHBondContact O-N 2.59Å
821	C	98.1	Very high	96.2	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.02	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-46.9	176.6	-68.8	0	0	0	0	112.1	F731 C805 V817 S823 F824 W825 L867	F731-C821 HydrophobicContact CE2-CB 4.39Å; C805-C821 VanDerWaalsContact SG-SG 3.67Å; V817-C821 PolarHBondContact O-N 3.29Å; V817-C821 PolarHBondContact O-SG 3.01Å; V817-C821 VanDerWaalsContact O-SG 3.38Å; C821-S823 PolarHBondContact O-N 2.73Å; C821-F824 PolarHBondContact O-N 2.83Å; C821-W825 PolarHBondContact O-N 3.24Å; C821-W825 VanDerWaalsContact O-N 3.08Å; C821-L867 HydrophobicContact CB-CD1 3.9Å
822	H	97.2	Very high	96.2	Very high	42 Å²	42	30.7 Å²	30.7	19%	0.194	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-42.7	180	-175.5	-88.5	0	0	0	111.7	F731 F756 T818 A820 L826	F731-H822 HydrophobicContact CE1-CB 4.42Å; F731-H822 HydrophobicContact CZ-CB 4.19Å; F756-H822 AromaticContact CD1-CD2 3.87Å; F756-H822 AromaticContact CD2-CD2 3.56Å; F756-H822 AromaticContact CD2-NE2 3.87Å; F756-H822 AromaticContact CE2-CD2 3.73Å; F756-H822 AromaticContact CG-CD2 3.64Å; F756-H822 HydrophobicContact CZ-CB 4.31Å; F756-H822 AromaticContact CZ-CD2 3.97Å; T818-H822 WeakPolarHBondContact O-CB 3.35Å; T818-H822 PolarHBondContact O-N 3.46Å; A820-H822 PolarHBondContact O-N 3.19Å; H822-L826 VanDerWaalsContact CE1-CD2 3.47Å; H822-L826 WeakPolarHBondContact CE1-CD2 3.48Å; H822-L826 VanDerWaalsContact O-CB 3.26Å; H822-L826 WeakPolarHBondContact O-CB 3.35Å; H822-L826 PolarHBondContact O-N 2.9Å
823	S	97.1	Very high	96.3	Very high	39 Å²	39	29 Å²	29	27%	0.273	15%	0.149	S	C	.	.	H	α-helix	trans	-66.1	-44.5	179.8	-59.8	0	0	0	0	112	S819 A820 C821 Y827 E828	S819-S823 VanDerWaalsContact O-CB 3.23Å; S819-S823 WeakPolarHBondContact O-CB 3.05Å; S819-S823 PolarHBondContact O-N 2.68Å; S819-S823 PolarHBondContact O-OG 2.78Å; A820-S823 PolarHBondContact O-N 2.95Å; C821-S823 PolarHBondContact O-N 2.73Å; S823-Y827 WeakPolarHBondContact O-CB 3.48Å; S823-Y827 PolarHBondContact O-N 3.26Å; S823-E828 PolarHBondContact O-N 3.02Å
824	F	98.2	Very high	96.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	14%	0.137	C	C	.	.	I	π-helix	trans	-59.7	-51.3	176.9	179.4	-92.7	0	0	0	111.6	I794 L798 A801 A820 C821 E828 L829 C859 A863	I794-F824 HydrophobicContact CD1-CE2 3.72Å; I794-F824 HydrophobicContact CD1-CZ 4.05Å; I794-F824 HydrophobicContact CG1-CE2 4.22Å; I794-F824 HydrophobicContact CG1-CZ 4.28Å; L798-F824 HydrophobicContact CB-CD2 4.39Å; L798-F824 HydrophobicContact CB-CE2 3.59Å; L798-F824 HydrophobicContact CB-CZ 4.04Å; L798-F824 HydrophobicContact CD1-CD2 4.38Å; L798-F824 HydrophobicContact CD1-CE1 4.16Å; L798-F824 HydrophobicContact CD1-CE2 3.88Å; L798-F824 HydrophobicContact CD1-CZ 3.75Å; L798-F824 HydrophobicContact CG-CE2 4.32Å; L798-F824 HydrophobicContact CG-CZ 4.38Å; A801-F824 HydrophobicContact CB-CB 4.1Å; A801-F824 HydrophobicContact CB-CD2 4.25Å; A801-F824 HydrophobicContact CB-CG 4.35Å; A820-F824 WeakPolarHBondContact O-CB 3.34Å; A820-F824 PolarHBondContact O-N 2.59Å; C821-F824 PolarHBondContact O-N 2.83Å; F824-E828 VanDerWaalsContact CA-OE2 3.31Å; F824-E828 WeakPolarHBondContact CA-OE2 2.93Å; F824-E828 WeakPolarHBondContact CD2-OE2 3.5Å; F824-E828 PolarHBondContact O-N 3.12Å; F824-L829 HydrophobicContact CE1-CB 4.29Å; F824-L829 HydrophobicContact CE1-CD2 4.35Å; F824-L829 WeakPolarHBondContact O-CB 3.15Å; F824-L829 PolarHBondContact O-N 2.9Å; F824-C859 HydrophobicContact CZ-CB 4.26Å; F824-A863 HydrophobicContact CD1-CB 3.75Å; F824-A863 HydrophobicContact CE1-CB 3.45Å; F824-A863 VanDerWaalsContact CE1-CB 3.45Å
825	W	97.9	Very high	96.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	15%	0.152	C	C	.	.	I	π-helix	trans	-64.5	-48	-178.5	-87.8	101.9	0	0	0	112.8	F756 I760 A763 C821 L829 C830 V860 A863 L864	F756-W825 HydrophobicContact CE2-CB 3.6Å; F756-W825 HydrophobicContact CE2-CG 4.36Å; F756-W825 HydrophobicContact CZ-CB 3.79Å; F756-W825 HydrophobicContact CZ-CG 4.17Å; I760-W825 HydrophobicContact CB-CE3 4.35Å; I760-W825 HydrophobicContact CB-CZ3 4.45Å; I760-W825 HydrophobicContact CG1-CD2 3.87Å; I760-W825 HydrophobicContact CG1-CE3 4Å; I760-W825 HydrophobicContact CG1-CG 4.12Å; I760-W825 HydrophobicContact CG2-CD2 4.41Å; I760-W825 HydrophobicContact CG2-CE3 4.23Å; I760-W825 HydrophobicContact CG2-CH2 3.85Å; I760-W825 HydrophobicContact CG2-CZ2 4.03Å; I760-W825 HydrophobicContact CG2-CZ3 3.96Å; A763-W825 HydrophobicContact CB-CE3 4.25Å; A763-W825 HydrophobicContact CB-CZ3 3.8Å; C821-W825 PolarHBondContact O-N 3.24Å; C821-W825 VanDerWaalsContact O-N 3.08Å; W825-L829 HydrophobicContact CD2-CD2 4.39Å; W825-L829 HydrophobicContact CE3-CD2 3.66Å; W825-L829 HydrophobicContact CH2-CD2 4.33Å; W825-L829 HydrophobicContact CZ3-CD2 3.62Å; W825-C830 WeakPolarHBondContact O-CB 3.38Å; W825-C830 PolarHBondContact O-N 3.22Å; W825-C830 VanDerWaalsContact O-N 3.07Å; W825-C830 PolarHBondContact O-SG 3.06Å; W825-V860 HydrophobicContact CH2-CG1 4.19Å; W825-A863 HydrophobicContact CZ2-CB 3.75Å; W825-A863 PolarHBondContact NE1-O 2.97Å; W825-L864 HydrophobicContact CH2-CD2 4.14Å; W825-L864 HydrophobicContact CH2-CG 4.37Å; W825-L864 HydrophobicContact CZ2-CD2 3.78Å; W825-L864 HydrophobicContact CZ2-CG 4.01Å
826	L	95.5	Very high	96.2	Very high	33 Å²	33	28.1 Å²	28.1	17%	0.173	14%	0.144	C	C	.	.	I	π-helix	trans	-81.2	-58.2	-171.3	-171.9	63.8	0	0	0	111.9	K759 H822 C830 D831	K759-L826 HydrophobicContact CD-CD1 3.86Å; K759-L826 HydrophobicContact CG-CD1 3.86Å; H822-L826 VanDerWaalsContact CE1-CD2 3.47Å; H822-L826 WeakPolarHBondContact CE1-CD2 3.48Å; H822-L826 VanDerWaalsContact O-CB 3.26Å; H822-L826 WeakPolarHBondContact O-CB 3.35Å; H822-L826 PolarHBondContact O-N 2.9Å; L826-C830 WeakPolarHBondContact O-CB 3.5Å; L826-D831 WeakPolarHBondContact O-CB 3.4Å; L826-D831 PolarHBondContact O-N 2.78Å
827	Y	94.7	Very high	96.1	Very high	126 Å²	126	24 Å²	24	49%	0.494	13%	0.126	S	C	.	.	I	π-helix	trans	-86.6	-33.2	-167.4	-54.5	-49.3	0	0	0	112.9	S823 V832	S823-Y827 WeakPolarHBondContact O-CB 3.48Å; S823-Y827 PolarHBondContact O-N 3.26Å; Y827-V832 WeakPolarHBondContact O-CG2 3.39Å
828	E	96.3	Very high	95.9	Very high	21 Å²	21	27.4 Å²	27.4	10%	0.098	14%	0.141	C	C	.	.	I	π-helix	trans	-94.8	-54.2	-173.4	-56.8	171.6	166.3	0	0	110.8	W793 I794 R797 S823 F824 Y833	W793-E828 HydrophobicContact CH2-CB 4.11Å; I794-E828 HydrophobicContact CD1-CB 4.04Å; R797-E828 WeakPolarHBondContact CB-OE2 3.46Å; R797-E828 HydrophobicContact CG-CG 4.49Å; R797-E828 IonicContact CZ-OE1 2.73Å; R797-E828 IonicContact NE-OE1 3.23Å; R797-E828 PolarHBondContact NE-OE1 2.74Å; R797-E828 IonicContact NE-OE2 2.77Å; R797-E828 IonicContact NH2-OE1 3.51Å; R797-E828 PolarHBondContact NH2-OE1 3.32Å; S823-E828 PolarHBondContact O-N 3.02Å; F824-E828 VanDerWaalsContact CA-OE2 3.31Å; F824-E828 WeakPolarHBondContact CA-OE2 2.93Å; F824-E828 WeakPolarHBondContact CD2-OE2 3.5Å; F824-E828 PolarHBondContact O-N 3.12Å; E828-Y833 WeakPolarHBondContact O-CB 3.05Å; E828-Y833 PolarHBondContact O-N 3.42Å
829	L	97.1	Very high	95.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-74.6	-61.2	-179.1	-171.8	71.6	0	0	0	111.5	I794 F824 W825 Y833 L834 L856 V860	I794-L829 HydrophobicContact CD1-CD1 4.45Å; I794-L829 HydrophobicContact CG1-CD1 4.36Å; F824-L829 HydrophobicContact CE1-CB 4.29Å; F824-L829 HydrophobicContact CE1-CD2 4.35Å; F824-L829 WeakPolarHBondContact O-CB 3.15Å; F824-L829 PolarHBondContact O-N 2.9Å; W825-L829 HydrophobicContact CD2-CD2 4.39Å; W825-L829 HydrophobicContact CE3-CD2 3.66Å; W825-L829 HydrophobicContact CH2-CD2 4.33Å; W825-L829 HydrophobicContact CZ3-CD2 3.62Å; L829-Y833 HydrophobicContact CD1-CD1 3.73Å; L829-Y833 HydrophobicContact CD1-CG 4.42Å; L829-Y833 WeakPolarHBondContact O-CB 3.41Å; L829-Y833 PolarHBondContact O-N 3.05Å; L829-L834 HydrophobicContact CG-CG 4.38Å; L829-L834 WeakPolarHBondContact O-CG 3.46Å; L829-L834 PolarHBondContact O-N 3.36Å; L829-L856 HydrophobicContact CD1-CD1 4.26Å; L829-V860 HydrophobicContact CD2-CG2 4.17Å
830	C	96.2	Very high	95.2	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.047	14%	0.142	C	C	.	.	I	π-helix	trans	-72.9	-49.1	-171.4	-69.1	0	0	0	0	113.9	K759 W825 L826	K759-C830 HydrophobicContact CD-CB 4.48Å; K759-C830 HydrophobicContact CG-CB 4.43Å; W825-C830 WeakPolarHBondContact O-CB 3.38Å; W825-C830 PolarHBondContact O-N 3.22Å; W825-C830 VanDerWaalsContact O-N 3.07Å; W825-C830 PolarHBondContact O-SG 3.06Å; L826-C830 WeakPolarHBondContact O-CB 3.5Å
831	D	92.8	Very high	94.9	Very high	54 Å²	54	29.4 Å²	29.4	29%	0.289	15%	0.147	S	C	.	.	I	π-helix	trans	-80.6	-18.5	-170.1	-70.7	-5.1	0	0	0	113.2	K759 L826	K759-D831 IonicContact NZ-OD1 3.6Å; K759-D831 PolarHBondContact NZ-OD1 3.39Å; L826-D831 WeakPolarHBondContact O-CB 3.4Å; L826-D831 PolarHBondContact O-N 2.78Å
832	V	94.9	Very high	94.5	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.055	18%	0.178	C	C	.	.	I	π-helix	trans	-121.3	-70	-178.7	-178.2	0	0	0	0	111.2	W793 Y827 L834 E835 C836 L919 L965	W793-V832 HydrophobicContact CE3-CG1 4.36Å; W793-V832 HydrophobicContact CH2-CB 3.72Å; W793-V832 HydrophobicContact CH2-CG1 3.58Å; W793-V832 HydrophobicContact CH2-CG2 4.18Å; W793-V832 HydrophobicContact CZ3-CB 3.87Å; W793-V832 HydrophobicContact CZ3-CG1 3.47Å; W793-V832 VanDerWaalsContact CZ3-CG1 3.47Å; Y827-V832 WeakPolarHBondContact O-CG2 3.39Å; V832-L834 PolarHBondContact O-N 2.84Å; V832-E835 PolarHBondContact O-N 3.14Å; V832-E835 VanDerWaalsContact O-N 3.13Å; V832-C836 PolarHBondContact O-N 2.87Å; V832-C836 PolarHBondContact O-SG 2.89Å; V832-L919 HydrophobicContact CG1-CD2 4.1Å; V832-L919 HydrophobicContact CG2-CD1 4.14Å; V832-L919 HydrophobicContact CG2-CD2 3.61Å; V832-L965 HydrophobicContact CG1-CD1 4.11Å
833	Y	96.7	Very high	94	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-58.7	-50.4	-169	-175.3	-107.4	0	0	0	112.9	V790 D791 I794 E828 L829 E835 C836 I837 V855 L856	V790-Y833 HydrophobicContact CG1-CD2 3.63Å; V790-Y833 HydrophobicContact CG1-CE2 4.14Å; D791-Y833 VanDerWaalsContact OD1-CE2 3.24Å; D791-Y833 WeakPolarHBondContact OD1-CE2 3.47Å; D791-Y833 VanDerWaalsContact OD1-CZ 3.27Å; D791-Y833 PolarHBondContact OD1-OH 2.94Å; I794-Y833 HydrophobicContact CB-CD2 3.6Å; I794-Y833 HydrophobicContact CB-CE2 4.06Å; I794-Y833 HydrophobicContact CB-CG 3.95Å; I794-Y833 HydrophobicContact CD1-CG 4.41Å; I794-Y833 HydrophobicContact CG1-CD1 4.27Å; I794-Y833 HydrophobicContact CG1-CD2 4.09Å; I794-Y833 HydrophobicContact CG1-CG 3.9Å; I794-Y833 HydrophobicContact CG2-CD1 4.38Å; I794-Y833 HydrophobicContact CG2-CD2 3.47Å; I794-Y833 VanDerWaalsContact CG2-CD2 3.47Å; I794-Y833 HydrophobicContact CG2-CE1 4.22Å; I794-Y833 HydrophobicContact CG2-CE2 3.37Å; I794-Y833 HydrophobicContact CG2-CG 4.03Å; E828-Y833 WeakPolarHBondContact O-CB 3.05Å; E828-Y833 PolarHBondContact O-N 3.42Å; L829-Y833 HydrophobicContact CD1-CD1 3.73Å; L829-Y833 HydrophobicContact CD1-CG 4.42Å; L829-Y833 WeakPolarHBondContact O-CB 3.41Å; L829-Y833 PolarHBondContact O-N 3.05Å; Y833-E835 VanDerWaalsContact C-N 3.27Å; Y833-E835 PolarHBondContact O-N 3.31Å; Y833-C836 PolarHBondContact O-N 3.22Å; Y833-C836 VanDerWaalsContact O-N 3.17Å; Y833-I837 HydrophobicContact CD1-CD1 4.33Å; Y833-I837 HydrophobicContact CD2-CG2 4.28Å; Y833-I837 HydrophobicContact CE1-CD1 4Å; Y833-I837 HydrophobicContact CE1-CG2 4.12Å; Y833-I837 HydrophobicContact CE2-CG2 3.78Å; Y833-I837 WeakPolarHBondContact O-CG1 3.33Å; Y833-I837 WeakPolarHBondContact O-CG2 3.45Å; Y833-I837 PolarHBondContact O-N 3.14Å; Y833-V855 WeakPolarHBondContact OH-CG1 3.46Å; Y833-L856 HydrophobicContact CD1-CD1 4.2Å; Y833-L856 HydrophobicContact CE1-CB 4.11Å; Y833-L856 HydrophobicContact CE1-CD1 3.88Å
834	L	96	Very high	93.5	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.052	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-33.8	179.1	-67.8	-169.9	0	0	0	112.8	A763 F766 L829 V832 I837 K838 L856	A763-L834 HydrophobicContact CB-CD1 3.93Å; F766-L834 HydrophobicContact CD1-CD1 4.2Å; F766-L834 HydrophobicContact CD1-CD2 3.76Å; F766-L834 HydrophobicContact CD1-CG 4.41Å; F766-L834 HydrophobicContact CE1-CD2 3.9Å; L829-L834 HydrophobicContact CG-CG 4.38Å; L829-L834 WeakPolarHBondContact O-CG 3.46Å; L829-L834 PolarHBondContact O-N 3.36Å; V832-L834 PolarHBondContact O-N 2.84Å; L834-I837 HydrophobicContact CD2-CD1 4.04Å; L834-K838 WeakPolarHBondContact O-CG 3.39Å; L834-L856 HydrophobicContact CD2-CD1 3.53Å; L834-L856 HydrophobicContact CD2-CD2 4.43Å
835	E	93.4	Very high	93.2	Very high	69 Å²	69	44.2 Å²	44.2	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-72.7	-39.8	176.8	-63.1	-57.3	144	0	0	111.5	V832 Y833 K838 L965	V832-E835 PolarHBondContact O-N 3.14Å; V832-E835 VanDerWaalsContact O-N 3.13Å; Y833-E835 VanDerWaalsContact C-N 3.27Å; Y833-E835 PolarHBondContact O-N 3.31Å; E835-K838 IonicContact OE1-NZ 2.71Å; E835-K838 PolarHBondContact OE1-NZ 2.79Å; E835-K838 IonicContact OE2-NZ 3.35Å; E835-K838 PolarHBondContact OE2-NZ 3.25Å; E835-L965 HydrophobicContact CB-CD2 3.87Å
836	C	92.7	Very high	92.8	Very high	10 Å²	10	51 Å²	51	7%	0.068	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-34.2	178.9	-67.4	0	0	0	0	113.4	V790 V832 Y833 P839	V790-C836 HydrophobicContact CB-CB 4.5Å; V790-C836 HydrophobicContact CG1-CB 3.76Å; V790-C836 HydrophobicContact CG2-CB 4.41Å; V832-C836 PolarHBondContact O-N 2.87Å; V832-C836 PolarHBondContact O-SG 2.89Å; Y833-C836 PolarHBondContact O-N 3.22Å; Y833-C836 VanDerWaalsContact O-N 3.17Å; C836-P839 WeakPolarHBondContact O-CD 3.47Å
837	I	93.7	Very high	92.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-82	-18.1	-178.5	66.6	175.9	0	0	0	113.5	F766 Y833 L834 I840 M841 L856	F766-I837 HydrophobicContact CE1-CD1 4.14Å; F766-I837 HydrophobicContact CE1-CG1 4.39Å; Y833-I837 HydrophobicContact CD1-CD1 4.33Å; Y833-I837 HydrophobicContact CD2-CG2 4.28Å; Y833-I837 HydrophobicContact CE1-CD1 4Å; Y833-I837 HydrophobicContact CE1-CG2 4.12Å; Y833-I837 HydrophobicContact CE2-CG2 3.78Å; Y833-I837 WeakPolarHBondContact O-CG1 3.33Å; Y833-I837 WeakPolarHBondContact O-CG2 3.45Å; Y833-I837 PolarHBondContact O-N 3.14Å; L834-I837 HydrophobicContact CD2-CD1 4.04Å; I837-I840 WeakPolarHBondContact O-CA 3.49Å; I837-I840 WeakPolarHBondContact O-CB 3.49Å; I837-I840 PolarHBondContact O-N 3.46Å; I837-M841 HydrophobicContact CD1-CE 4.48Å; I837-M841 WeakPolarHBondContact O-CG 3.25Å; I837-M841 PolarHBondContact O-N 3.31Å; I837-L856 HydrophobicContact CD1-CD1 4.36Å; I837-L856 HydrophobicContact CD1-CD2 3.81Å; I837-L856 HydrophobicContact CD1-CG 4.48Å
838	K	92.9	Very high	92.5	Very high	73 Å²	73	50.6 Å²	50.6	32%	0.317	26%	0.263	S	S	.	.	H	α-helix	trans	-53.9	-48.9	-179.6	-80.4	168.3	-163.6	177.2	0	113.2	F766 L834 E835 I840 M841 L842	F766-K838 HydrophobicContact CE2-CD 4.46Å; F766-K838 HydrophobicContact CE2-CG 3.87Å; F766-K838 HydrophobicContact CZ-CG 3.64Å; L834-K838 WeakPolarHBondContact O-CG 3.39Å; E835-K838 IonicContact OE1-NZ 2.71Å; E835-K838 PolarHBondContact OE1-NZ 2.79Å; E835-K838 IonicContact OE2-NZ 3.35Å; E835-K838 PolarHBondContact OE2-NZ 3.25Å; K838-I840 VanDerWaalsContact C-N 3.32Å; K838-I840 PolarHBondContact O-N 2.8Å; K838-M841 PolarHBondContact O-N 3.04Å; K838-L842 WeakPolarHBondContact O-CG 3.42Å; K838-L842 PolarHBondContact O-N 3.07Å
839	P	89.8	Confident	92.3	Very high	48 Å²	48	54.1 Å²	54.1	31%	0.312	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-36.9	175.1	-21.1	33.5	0	0	0	112.9	C836 M841 L842 F843 V964	C836-P839 WeakPolarHBondContact O-CD 3.47Å; P839-M841 VanDerWaalsContact C-N 3.32Å; P839-M841 PolarHBondContact O-N 2.9Å; P839-L842 PolarHBondContact O-N 2.9Å; P839-F843 PolarHBondContact O-N 2.93Å; P839-V964 HydrophobicContact CG-CG2 3.94Å
840	I	90.5	Very high	92	Very high	35 Å²	35	57.7 Å²	57.7	18%	0.179	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-40	178.5	-57.8	171.1	0	0	0	110.3	T788 I837 K838 L842 G844 T848	T788-I840 HydrophobicContact CG2-CD1 3.84Å; I837-I840 WeakPolarHBondContact O-CA 3.49Å; I837-I840 WeakPolarHBondContact O-CB 3.49Å; I837-I840 PolarHBondContact O-N 3.46Å; K838-I840 VanDerWaalsContact C-N 3.32Å; K838-I840 PolarHBondContact O-N 2.8Å; I840-L842 VanDerWaalsContact C-N 3.28Å; I840-L842 PolarHBondContact O-N 2.74Å; I840-G844 WeakPolarHBondContact O-CA 3.3Å; I840-G844 PolarHBondContact O-N 2.87Å; I840-T848 HydrophobicContact CG2-CG2 3.86Å
841	M	90.9	Very high	91.9	Very high	35 Å²	35	57.4 Å²	57.4	17%	0.172	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-28.1	177.5	-65.6	-48.1	-163.2	0	0	113.2	T770 I837 K838 P839 R849 C852 Q853	T770-M841 HydrophobicContact CG2-CE 3.11Å; T770-M841 HydrophobicContact CG2-CG 3.69Å; T770-M841 HydrophobicContact CG2-SD 3.83Å; I837-M841 HydrophobicContact CD1-CE 4.48Å; I837-M841 WeakPolarHBondContact O-CG 3.25Å; I837-M841 PolarHBondContact O-N 3.31Å; K838-M841 PolarHBondContact O-N 3.04Å; P839-M841 VanDerWaalsContact C-N 3.32Å; P839-M841 PolarHBondContact O-N 2.9Å; M841-R849 HydrophobicContact SD-CB 4.5Å; M841-R849 HydrophobicContact SD-CG 3.69Å; M841-C852 HydrophobicContact CE-CB 3.85Å; M841-Q853 HydrophobicContact CE-CB 4.31Å; M841-Q853 HydrophobicContact CE-CG 3.47Å; M841-Q853 VanDerWaalsContact CE-CG 3.47Å; M841-Q853 HydrophobicContact SD-CG 4.25Å
842	L	89	Confident	91.9	Very high	129 Å²	129	54.9 Å²	54.9	68%	0.675	27%	0.273	S	S	*	.	H	α-helix	trans	-87	-40.1	179.8	-70.5	170	0	0	0	113.1	K838 P839 I840	K838-L842 WeakPolarHBondContact O-CG 3.42Å; K838-L842 PolarHBondContact O-N 3.07Å; P839-L842 PolarHBondContact O-N 2.9Å; I840-L842 VanDerWaalsContact C-N 3.28Å; I840-L842 PolarHBondContact O-N 2.74Å
843	F	88.7	Confident	91.9	Very high	177 Å²	177	55.6 Å²	55.6	78%	0.776	28%	0.276	S	S	*	.	H	α-helix	trans	-127.5	-5.8	-167.3	-52	-65.1	0	0	0	114.2	P839	P839-F843 PolarHBondContact O-N 2.93Å
844	G	85.8	Confident	91.8	Very high	31 Å²	31	56.6 Å²	56.6	32%	0.32	28%	0.282	S	S	.	.	S	Bend	trans	-73.8	160.3	-177.4	0	0	0	0	0	113.5	I840	I840-G844 WeakPolarHBondContact O-CA 3.3Å; I840-G844 PolarHBondContact O-N 2.87Å
845	S	90.9	Very high	91.7	Very high	60 Å²	60	56.1 Å²	56.1	42%	0.42	28%	0.279	S	S	.	.			trans	-60.1	155.4	173.7	84.7	0	0	0	0	111.1	H847 T848 R849	S845-H847 VanDerWaalsContact C-N 3.29Å; S845-H847 PolarHBondContact O-N 3.26Å; S845-T848 PolarHBondContact O-N 3.07Å; S845-T848 WeakPolarHBondContact OG-CB 3.24Å; S845-T848 PolarHBondContact OG-N 2.78Å; S845-T848 VanDerWaalsContact OG-N 3.11Å; S845-T848 PolarHBondContact OG-OG1 2.86Å; S845-R849 VanDerWaalsContact O-CB 3.25Å; S845-R849 WeakPolarHBondContact O-CB 3.48Å; S845-R849 PolarHBondContact O-N 3.16Å
846	E	90.4	Very high	91.9	Very high	143 Å²	143	52.9 Å²	52.9	67%	0.668	26%	0.264	S	S	*	.	H	α-helix	trans	-57.3	-42.4	178.3	-171.3	179.3	170.2	0	0	112.3	R850	E846-R850 VanDerWaalsContact O-CB 3.3Å; E846-R850 WeakPolarHBondContact O-CB 3.4Å; E846-R850 PolarHBondContact O-N 3.41Å
847	H	91.6	Very high	92	Very high	118 Å²	118	52.8 Å²	52.8	55%	0.546	26%	0.263	S	S	.	.	H	α-helix	trans	-65.2	-46.3	178.3	-61.4	-55.3	0	0	0	112.4	F786 S845 R850 A851	F786-H847 HydrophobicContact CB-CB 4.39Å; F786-H847 HydrophobicContact CD1-CB 3.94Å; F786-H847 HydrophobicContact CD2-CB 4.06Å; F786-H847 HydrophobicContact CE1-CB 4.2Å; F786-H847 HydrophobicContact CE2-CB 4.31Å; F786-H847 HydrophobicContact CG-CB 3.87Å; F786-H847 HydrophobicContact CZ-CB 4.37Å; S845-H847 VanDerWaalsContact C-N 3.29Å; S845-H847 PolarHBondContact O-N 3.26Å; H847-R850 PolarHBondContact O-N 3.15Å; H847-A851 PolarHBondContact O-N 2.84Å
848	T	91.6	Very high	92	Very high	33 Å²	33	54.4 Å²	54.4	20%	0.202	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-43.9	178.2	-48.4	0	0	0	0	111.1	T788 I840 S845 R850 A851 C852	T788-T848 HydrophobicContact CG2-CG2 3.73Å; I840-T848 HydrophobicContact CG2-CG2 3.86Å; S845-T848 PolarHBondContact O-N 3.07Å; S845-T848 WeakPolarHBondContact OG-CB 3.24Å; S845-T848 PolarHBondContact OG-N 2.78Å; S845-T848 VanDerWaalsContact OG-N 3.11Å; S845-T848 PolarHBondContact OG-OG1 2.86Å; T848-R850 VanDerWaalsContact C-N 3.32Å; T848-R850 PolarHBondContact O-N 2.62Å; T848-A851 PolarHBondContact O-N 2.96Å; T848-C852 PolarHBondContact O-N 3.48Å; T848-C852 PolarHBondContact O-SG 3.4Å; T848-C852 VanDerWaalsContact O-SG 3.41Å
849	R	92.5	Very high	92.2	Very high	95 Å²	95	51 Å²	51	36%	0.358	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-44.6	176.1	176.1	166.3	52	121	5.5	111.1	M841 S845 C852 Q853	M841-R849 HydrophobicContact SD-CB 4.5Å; M841-R849 HydrophobicContact SD-CG 3.69Å; S845-R849 VanDerWaalsContact O-CB 3.25Å; S845-R849 WeakPolarHBondContact O-CB 3.48Å; S845-R849 PolarHBondContact O-N 3.16Å; R849-C852 PolarHBondContact O-N 3.4Å; R849-Q853 VanDerWaalsContact O-CG 3.27Å; R849-Q853 WeakPolarHBondContact O-CG 3.33Å; R849-Q853 PolarHBondContact O-N 2.92Å
850	R	91.6	Very high	92.5	Very high	76 Å²	76	48.7 Å²	48.7	29%	0.287	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-42.5	176.9	-178.7	62	-178	169.3	10.4	112.3	K776 E846 H847 T848 Q853 L854	K776-R850 PolarHBondContact O-NH2 3.4Å; E846-R850 VanDerWaalsContact O-CB 3.3Å; E846-R850 WeakPolarHBondContact O-CB 3.4Å; E846-R850 PolarHBondContact O-N 3.41Å; H847-R850 PolarHBondContact O-N 3.15Å; T848-R850 VanDerWaalsContact C-N 3.32Å; T848-R850 PolarHBondContact O-N 2.62Å; R850-Q853 PolarHBondContact O-N 3.35Å; R850-L854 HydrophobicContact CG-CD1 4.35Å; R850-L854 WeakPolarHBondContact O-CG 3.41Å; R850-L854 PolarHBondContact O-N 3.02Å
851	A	93	Very high	92.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-49.3	175.3	0	0	0	0	0	111.4	S784 F786 E787 H847 T848 Q853 L854 V855	S784-A851 WeakPolarHBondContact OG-CB 3.35Å; F786-A851 HydrophobicContact CB-CB 4.12Å; E787-A851 HydrophobicContact CG-CB 4.38Å; H847-A851 PolarHBondContact O-N 2.84Å; T848-A851 PolarHBondContact O-N 2.96Å; A851-Q853 VanDerWaalsContact C-N 3.33Å; A851-Q853 PolarHBondContact O-N 3.14Å; A851-L854 PolarHBondContact O-N 3.21Å; A851-V855 WeakPolarHBondContact O-CG2 3.34Å; A851-V855 PolarHBondContact O-N 3.47Å
852	C	94.2	Very high	93.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-40.3	175.8	-67.8	0	0	0	0	112.4	D791 M841 T848 R849 V855 L856	D791-C852 PolarHBondContact OD1-SG 3.28Å; D791-C852 PolarHBondContact OD2-SG 2.83Å; M841-C852 HydrophobicContact CE-CB 3.85Å; T848-C852 PolarHBondContact O-N 3.48Å; T848-C852 PolarHBondContact O-SG 3.4Å; T848-C852 VanDerWaalsContact O-SG 3.41Å; R849-C852 PolarHBondContact O-N 3.4Å; C852-V855 PolarHBondContact O-N 3.01Å; C852-L856 WeakPolarHBondContact O-CB 3.46Å; C852-L856 PolarHBondContact O-N 3.04Å
853	Q	94.2	Very high	93.5	Very high	24 Å²	24	41 Å²	41	11%	0.112	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-42.7	176.4	-73.9	173.9	-29.3	0	0	111.9	T770 L771 F775 M841 R849 R850 A851 C857	T770-Q853 PolarHBondContact O-NE2 3.26Å; L771-Q853 HydrophobicContact CD2-CB 3.83Å; L771-Q853 HydrophobicContact CD2-CG 4.26Å; L771-Q853 WeakPolarHBondContact CD2-O 3.48Å; F775-Q853 HydrophobicContact CD2-CB 4.05Å; F775-Q853 HydrophobicContact CE2-CB 3.49Å; F775-Q853 VanDerWaalsContact CE2-CB 3.49Å; F775-Q853 HydrophobicContact CE2-CG 4.48Å; F775-Q853 HydrophobicContact CZ-CB 4.33Å; M841-Q853 HydrophobicContact CE-CB 4.31Å; M841-Q853 HydrophobicContact CE-CG 3.47Å; M841-Q853 VanDerWaalsContact CE-CG 3.47Å; M841-Q853 HydrophobicContact SD-CG 4.25Å; R849-Q853 VanDerWaalsContact O-CG 3.27Å; R849-Q853 WeakPolarHBondContact O-CG 3.33Å; R849-Q853 PolarHBondContact O-N 2.92Å; R850-Q853 PolarHBondContact O-N 3.35Å; A851-Q853 VanDerWaalsContact C-N 3.33Å; A851-Q853 PolarHBondContact O-N 3.14Å; Q853-C857 WeakPolarHBondContact O-CB 3.48Å; Q853-C857 PolarHBondContact O-N 2.83Å
854	L	93.5	Very high	93.9	Very high	22 Å²	22	32.6 Å²	32.6	12%	0.115	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-47.1	177	-74.2	166.3	0	0	0	111.5	F775 F781 R850 A851 C857 F858	F775-L854 HydrophobicContact CE2-CD2 4.35Å; F775-L854 HydrophobicContact CE2-CG 4.46Å; F775-L854 HydrophobicContact CZ-CD2 3.88Å; F775-L854 HydrophobicContact CZ-CG 4.33Å; F781-L854 HydrophobicContact CE2-CB 4.39Å; R850-L854 HydrophobicContact CG-CD1 4.35Å; R850-L854 WeakPolarHBondContact O-CG 3.41Å; R850-L854 PolarHBondContact O-N 3.02Å; A851-L854 PolarHBondContact O-N 3.21Å; L854-C857 PolarHBondContact O-N 3Å; L854-F858 VanDerWaalsContact O-CB 3.3Å; L854-F858 WeakPolarHBondContact O-CB 3.35Å; L854-F858 PolarHBondContact O-N 3.44Å
855	V	95.5	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-47.6	177.8	174.2	0	0	0	0	110.6	F781 E787 D791 I794 L795 Y833 A851 C852 C857 F858 C859	F781-V855 HydrophobicContact CE2-CG2 4.26Å; F781-V855 HydrophobicContact CZ-CG2 4.01Å; E787-V855 HydrophobicContact CG-CG2 4.05Å; D791-V855 HydrophobicContact CB-CB 4.45Å; D791-V855 HydrophobicContact CB-CG1 4.15Å; D791-V855 HydrophobicContact CB-CG2 4.11Å; I794-V855 HydrophobicContact CG2-CG1 3.74Å; L795-V855 HydrophobicContact CD1-CG1 4.45Å; L795-V855 HydrophobicContact CD1-CG2 4.41Å; L795-V855 HydrophobicContact CD2-CG1 4.23Å; L795-V855 HydrophobicContact CG-CG1 4.08Å; Y833-V855 WeakPolarHBondContact OH-CG1 3.46Å; A851-V855 WeakPolarHBondContact O-CG2 3.34Å; A851-V855 PolarHBondContact O-N 3.47Å; C852-V855 PolarHBondContact O-N 3.01Å; V855-C857 PolarHBondContact O-N 3.19Å; V855-F858 PolarHBondContact O-N 3.47Å; V855-C859 WeakPolarHBondContact O-CB 3.37Å; V855-C859 PolarHBondContact O-N 3.15Å; V855-C859 PolarHBondContact O-SG 3.27Å; V855-C859 VanDerWaalsContact O-SG 3.35Å
856	L	96	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-47.5	178.2	178.3	62.1	0	0	0	112	T767 T770 L829 Y833 L834 I837 C852 F858 C859 V860	T767-L856 HydrophobicContact CG2-CD2 3.93Å; T767-L856 HydrophobicContact CG2-CG 3.85Å; T770-L856 HydrophobicContact CG2-CD2 4.14Å; L829-L856 HydrophobicContact CD1-CD1 4.26Å; Y833-L856 HydrophobicContact CD1-CD1 4.2Å; Y833-L856 HydrophobicContact CE1-CB 4.11Å; Y833-L856 HydrophobicContact CE1-CD1 3.88Å; L834-L856 HydrophobicContact CD2-CD1 3.53Å; L834-L856 HydrophobicContact CD2-CD2 4.43Å; I837-L856 HydrophobicContact CD1-CD1 4.36Å; I837-L856 HydrophobicContact CD1-CD2 3.81Å; I837-L856 HydrophobicContact CD1-CG 4.48Å; C852-L856 WeakPolarHBondContact O-CB 3.46Å; C852-L856 PolarHBondContact O-N 3.04Å; L856-F858 VanDerWaalsContact C-N 3.33Å; L856-F858 PolarHBondContact O-N 3.11Å; L856-C859 PolarHBondContact O-N 3.4Å; L856-V860 HydrophobicContact CD1-CG2 4Å; L856-V860 WeakPolarHBondContact O-CB 3.32Å; L856-V860 VanDerWaalsContact O-CG2 3.28Å; L856-V860 WeakPolarHBondContact O-CG2 3.36Å; L856-V860 PolarHBondContact O-N 3.36Å
857	C	95.1	Very high	95.2	Very high	9 Å²	9	22.9 Å²	22.9	6%	0.061	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-43.3	178.7	-169.2	0	0	0	0	111.3	L771 F775 Q853 L854 V855 V860 D861	L771-C857 HydrophobicContact CD1-CB 4.08Å; L771-C857 HydrophobicContact CD2-CB 4.06Å; F775-C857 HydrophobicContact CE1-CB 4.04Å; F775-C857 HydrophobicContact CZ-CB 4.13Å; Q853-C857 WeakPolarHBondContact O-CB 3.48Å; Q853-C857 PolarHBondContact O-N 2.83Å; L854-C857 PolarHBondContact O-N 3Å; V855-C857 PolarHBondContact O-N 3.19Å; C857-V860 PolarHBondContact O-N 2.94Å; C857-D861 WeakPolarHBondContact O-CB 3.39Å; C857-D861 PolarHBondContact O-N 2.9Å
858	F	94.5	Very high	95.5	Very high	34 Å²	34	17.3 Å²	17.3	15%	0.149	8%	0.077	C	C	.	.	H	α-helix	trans	-63.8	-46.7	178.5	179	-103.9	0	0	0	112.1	F781 L795 L798 L854 V855 L856 V860 D861 A862 F904 W906	F781-F858 HydrophobicContact CB-CD2 3.57Å; F781-F858 HydrophobicContact CB-CE2 3.72Å; F781-F858 HydrophobicContact CB-CG 4.2Å; F781-F858 HydrophobicContact CB-CZ 4.45Å; F781-F858 HydrophobicContact CD1-CD1 4.01Å; F781-F858 HydrophobicContact CD1-CD2 4.15Å; F781-F858 HydrophobicContact CD1-CE1 4.03Å; F781-F858 HydrophobicContact CD1-CE2 4.17Å; F781-F858 HydrophobicContact CD1-CG 4.07Å; F781-F858 HydrophobicContact CD1-CZ 4.11Å; F781-F858 HydrophobicContact CD2-CB 3.65Å; F781-F858 HydrophobicContact CD2-CD1 4.29Å; F781-F858 AromaticContact CD2-CD2 3.93Å; F781-F858 HydrophobicContact CD2-CD2 3.93Å; F781-F858 AromaticContact CD2-CG 3.69Å; F781-F858 HydrophobicContact CD2-CG 3.69Å; F781-F858 HydrophobicContact CE1-CD1 4.04Å; F781-F858 HydrophobicContact CE1-CE1 4.23Å; F781-F858 HydrophobicContact CE1-CG 4.38Å; F781-F858 HydrophobicContact CE2-CB 3.81Å; F781-F858 HydrophobicContact CE2-CD1 4.32Å; F781-F858 HydrophobicContact CE2-CG 4.04Å; F781-F858 HydrophobicContact CG-CB 4.19Å; F781-F858 HydrophobicContact CG-CD1 4.13Å; F781-F858 AromaticContact CG-CD2 3.61Å; F781-F858 HydrophobicContact CG-CD2 3.61Å; F781-F858 HydrophobicContact CG-CE1 4.44Å; F781-F858 AromaticContact CG-CE2 3.96Å; F781-F858 HydrophobicContact CG-CE2 3.96Å; F781-F858 AromaticContact CG-CG 3.7Å; F781-F858 HydrophobicContact CG-CG 3.7Å; F781-F858 HydrophobicContact CG-CZ 4.36Å; F781-F858 HydrophobicContact CZ-CB 4.47Å; F781-F858 HydrophobicContact CZ-CD1 4.2Å; F781-F858 HydrophobicContact CZ-CG 4.38Å; L795-F858 HydrophobicContact CD2-CD1 3.81Å; L795-F858 HydrophobicContact CD2-CE1 4.04Å; L798-F858 HydrophobicContact CD2-CD1 4.36Å; L798-F858 HydrophobicContact CD2-CE1 4.17Å; L854-F858 VanDerWaalsContact O-CB 3.3Å; L854-F858 WeakPolarHBondContact O-CB 3.35Å; L854-F858 PolarHBondContact O-N 3.44Å; V855-F858 PolarHBondContact O-N 3.47Å; L856-F858 VanDerWaalsContact C-N 3.33Å; L856-F858 PolarHBondContact O-N 3.11Å; F858-V860 PolarHBondContact O-N 2.78Å; F858-D861 PolarHBondContact O-N 3.35Å; F858-A862 WeakPolarHBondContact O-CB 3.39Å; F858-A862 PolarHBondContact O-N 3.07Å; F858-F904 AromaticContact CE1-CD1 3.84Å; F858-F904 HydrophobicContact CE1-CD1 3.84Å; F858-F904 AromaticContact CE1-CE1 3.53Å; F858-F904 HydrophobicContact CE1-CE1 3.53Å; F858-F904 HydrophobicContact CE2-CE1 4.38Å; F858-F904 AromaticContact CZ-CD1 3.9Å; F858-F904 HydrophobicContact CZ-CD1 3.9Å; F858-F904 AromaticContact CZ-CE1 3.38Å; F858-F904 HydrophobicContact CZ-CE1 3.38Å; F858-F904 HydrophobicContact CZ-CZ 4Å; F858-W906 HydrophobicContact CE1-CE3 4.33Å; F858-W906 AromaticContact CE1-CH2 3.8Å; F858-W906 HydrophobicContact CE1-CH2 3.8Å; F858-W906 AromaticContact CE1-CZ3 3.44Å; F858-W906 HydrophobicContact CE1-CZ3 3.44Å; F858-W906 VanDerWaalsContact CE1-CZ3 3.44Å; F858-W906 AromaticContact CZ-CH2 3.69Å; F858-W906 HydrophobicContact CZ-CH2 3.69Å; F858-W906 AromaticContact CZ-CZ3 3.6Å; F858-W906 HydrophobicContact CZ-CZ3 3.6Å
859	C	96.6	Very high	95.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.3	-43.9	177.2	-73.9	0	0	0	0	112.2	L798 F824 V855 L856 A863	L798-C859 HydrophobicContact CD2-CB 4.29Å; F824-C859 HydrophobicContact CZ-CB 4.26Å; V855-C859 WeakPolarHBondContact O-CB 3.37Å; V855-C859 PolarHBondContact O-N 3.15Å; V855-C859 PolarHBondContact O-SG 3.27Å; V855-C859 VanDerWaalsContact O-SG 3.35Å; L856-C859 PolarHBondContact O-N 3.4Å; C859-A863 WeakPolarHBondContact O-CB 3.42Å; C859-A863 PolarHBondContact O-N 2.8Å
860	V	97.3	Very high	96.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68	-43.2	-179.7	170.5	0	0	0	0	111.3	T767 W825 L829 L856 C857 F858 A863 L864 L882	T767-V860 HydrophobicContact CG2-CG2 4.25Å; W825-V860 HydrophobicContact CH2-CG1 4.19Å; L829-V860 HydrophobicContact CD2-CG2 4.17Å; L856-V860 HydrophobicContact CD1-CG2 4Å; L856-V860 WeakPolarHBondContact O-CB 3.32Å; L856-V860 VanDerWaalsContact O-CG2 3.28Å; L856-V860 WeakPolarHBondContact O-CG2 3.36Å; L856-V860 PolarHBondContact O-N 3.36Å; C857-V860 PolarHBondContact O-N 2.94Å; F858-V860 PolarHBondContact O-N 2.78Å; V860-A863 PolarHBondContact O-N 2.79Å; V860-L864 HydrophobicContact CG1-CD1 4.16Å; V860-L864 HydrophobicContact CG1-CG 4.43Å; V860-L864 WeakPolarHBondContact O-CB 3.13Å; V860-L864 VanDerWaalsContact O-CG 3.28Å; V860-L864 WeakPolarHBondContact O-CG 3.39Å; V860-L864 PolarHBondContact O-N 3.45Å; V860-L882 HydrophobicContact CG1-CD1 4.09Å; V860-L882 HydrophobicContact CG1-CD2 4.09Å
861	D	95.5	Very high	96.4	Very high	37 Å²	37	7.6 Å²	7.6	20%	0.198	4%	0.037	C	C	.	.	H	α-helix	trans	-57.5	-52.8	174.4	170.7	79.1	0	0	0	111.6	C857 F858 A863 L864 R865 W879 L882	C857-D861 WeakPolarHBondContact O-CB 3.39Å; C857-D861 PolarHBondContact O-N 2.9Å; F858-D861 PolarHBondContact O-N 3.35Å; D861-A863 VanDerWaalsContact C-N 3.35Å; D861-A863 PolarHBondContact O-N 3.11Å; D861-L864 PolarHBondContact O-N 2.84Å; D861-R865 WeakPolarHBondContact O-CG 3.48Å; D861-R865 PolarHBondContact O-N 3.44Å; D861-R865 IonicContact OD1-NE 2.83Å; D861-R865 IonicContact OD2-CZ 3.84Å; D861-R865 VanDerWaalsContact OD2-CZ 3.23Å; D861-R865 IonicContact OD2-NE 3.23Å; D861-R865 PolarHBondContact OD2-NE 3.31Å; D861-R865 IonicContact OD2-NH2 2.85Å; D861-R865 PolarHBondContact OD2-NH2 3.36Å; D861-W879 PolarHBondContact OD1-NE1 2.85Å; D861-L882 HydrophobicContact CB-CD1 4.19Å
862	A	96.5	Very high	96.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.4	-43.1	-179.9	0	0	0	0	0	111.8	L798 F858 L864 R865 L866 P899 F904	L798-A862 HydrophobicContact CD1-CB 4.17Å; L798-A862 HydrophobicContact CD2-CB 3.97Å; F858-A862 WeakPolarHBondContact O-CB 3.39Å; F858-A862 PolarHBondContact O-N 3.07Å; A862-L864 PolarHBondContact O-N 3.46Å; A862-R865 PolarHBondContact O-N 3.35Å; A862-L866 WeakPolarHBondContact O-CG 3.32Å; A862-L866 PolarHBondContact O-N 3.03Å; A862-P899 HydrophobicContact CB-CG 4.49Å; A862-F904 HydrophobicContact CB-CE1 3.67Å; A862-F904 HydrophobicContact CB-CZ 3.69Å
863	A	97.8	Very high	96.9	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-69.3	-31.1	-179.4	0	0	0	0	0	113.5	F824 W825 C859 V860 D861 L867	F824-A863 HydrophobicContact CD1-CB 3.75Å; F824-A863 HydrophobicContact CE1-CB 3.45Å; F824-A863 VanDerWaalsContact CE1-CB 3.45Å; W825-A863 HydrophobicContact CZ2-CB 3.75Å; W825-A863 PolarHBondContact NE1-O 2.97Å; C859-A863 WeakPolarHBondContact O-CB 3.42Å; C859-A863 PolarHBondContact O-N 2.8Å; V860-A863 PolarHBondContact O-N 2.79Å; D861-A863 VanDerWaalsContact C-N 3.35Å; D861-A863 PolarHBondContact O-N 3.11Å; A863-L867 WeakPolarHBondContact O-CB 3.38Å; A863-L867 PolarHBondContact O-N 2.83Å
864	L	98.3	Very high	97	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-67.7	-41.9	169.8	-71.8	175.3	0	0	0	110.9	I760 W825 V860 D861 A862 L867 S868 T875 L878 W879 L882 I893	I760-L864 HydrophobicContact CG2-CD2 4.28Å; W825-L864 HydrophobicContact CH2-CD2 4.14Å; W825-L864 HydrophobicContact CH2-CG 4.37Å; W825-L864 HydrophobicContact CZ2-CD2 3.78Å; W825-L864 HydrophobicContact CZ2-CG 4.01Å; V860-L864 HydrophobicContact CG1-CD1 4.16Å; V860-L864 HydrophobicContact CG1-CG 4.43Å; V860-L864 WeakPolarHBondContact O-CB 3.13Å; V860-L864 VanDerWaalsContact O-CG 3.28Å; V860-L864 WeakPolarHBondContact O-CG 3.39Å; V860-L864 PolarHBondContact O-N 3.45Å; D861-L864 PolarHBondContact O-N 2.84Å; A862-L864 PolarHBondContact O-N 3.46Å; L864-L867 PolarHBondContact O-N 3.1Å; L864-S868 PolarHBondContact O-N 2.94Å; L864-T875 HydrophobicContact CD2-CG2 4.15Å; L864-T875 WeakPolarHBondContact O-CG2 3.29Å; L864-L878 HydrophobicContact CD1-CB 3.97Å; L864-L878 HydrophobicContact CD2-CB 4.15Å; L864-L878 HydrophobicContact CD2-CD1 4.23Å; L864-W879 HydrophobicContact CD1-CB 4.2Å; L864-L882 HydrophobicContact CD1-CD1 3.76Å; L864-L882 HydrophobicContact CD1-CG 4.49Å; L864-I893 HydrophobicContact CB-CD1 4.11Å
865	R	97.9	Very high	97.3	Very high	28 Å²	28	5.6 Å²	5.6	11%	0.106	3%	0.027	C	C	.	.	H	α-helix	trans	-64.2	-39.8	176.7	-68.6	-173.2	-74.6	135.1	-4.8	112.6	M163 D861 A862 L867 S868 I893 A897 Y898 P899	M163-R865 HydrophobicContact CE-CB 4.11Å; M163-R865 HydrophobicContact CE-CG 4.47Å; D861-R865 WeakPolarHBondContact O-CG 3.48Å; D861-R865 PolarHBondContact O-N 3.44Å; D861-R865 IonicContact OD1-NE 2.83Å; D861-R865 IonicContact OD2-CZ 3.84Å; D861-R865 VanDerWaalsContact OD2-CZ 3.23Å; D861-R865 IonicContact OD2-NE 3.23Å; D861-R865 PolarHBondContact OD2-NE 3.31Å; D861-R865 IonicContact OD2-NH2 2.85Å; D861-R865 PolarHBondContact OD2-NH2 3.36Å; A862-R865 PolarHBondContact O-N 3.35Å; R865-L867 VanDerWaalsContact C-N 3.29Å; R865-L867 PolarHBondContact O-N 3.05Å; R865-S868 PolarHBondContact O-N 2.67Å; R865-I893 HydrophobicContact CG-CD1 4Å; R865-I893 HydrophobicContact CG-CG1 4.13Å; R865-A897 WeakPolarHBondContact CD-O 3.27Å; R865-A897 PolarHBondContact NH1-O 2.98Å; R865-Y898 WeakPolarHBondContact O-CE2 3.27Å; R865-P899 HydrophobicContact CB-CG 3.81Å
866	L	98.3	Very high	97.4	Very high	3 Å²	3	5.6 Å²	5.6	2%	0.016	3%	0.027	C	C	.	.	H	α-helix	trans	-59.6	-39.5	172.6	-71.4	179.4	0	0	0	112.4	L798 A801 V802 C805 A862 P869 Y898 P899	L798-L866 HydrophobicContact CD1-CD1 4.35Å; A801-L866 HydrophobicContact CB-CD1 4.45Å; V802-L866 HydrophobicContact CG2-CD1 3.91Å; V802-L866 HydrophobicContact CG2-CD2 4.18Å; V802-L866 HydrophobicContact CG2-CG 4.43Å; C805-L866 HydrophobicContact CB-CD2 4.05Å; A862-L866 WeakPolarHBondContact O-CG 3.32Å; A862-L866 PolarHBondContact O-N 3.03Å; L866-P869 WeakPolarHBondContact O-CD 3.44Å; L866-Y898 HydrophobicContact CD2-CE1 3.77Å; L866-Y898 HydrophobicContact CD2-CE2 4.35Å; L866-Y898 VanDerWaalsContact CD2-OH 3.28Å; L866-Y898 WeakPolarHBondContact CD2-OH 3.23Å; L866-Y898 PolarHBondContact O-OH 2.84Å; L866-P899 HydrophobicContact CD2-CB 3.86Å; L866-P899 HydrophobicContact CD2-CG 3.9Å; L866-P899 HydrophobicContact CG-CB 4.34Å; L866-P899 HydrophobicContact CG-CG 4.03Å
867	L	98.2	Very high	97.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-81.2	-23.5	-175.5	-167.3	69.6	0	0	0	113.1	F731 F756 I760 C821 A863 L864 R865 P869 F870 M871 T875	F731-L867 HydrophobicContact CD2-CD1 3.95Å; F731-L867 HydrophobicContact CE2-CD1 3.46Å; F731-L867 VanDerWaalsContact CE2-CD1 3.46Å; F731-L867 HydrophobicContact CZ-CD1 4.36Å; F756-L867 HydrophobicContact CE1-CD1 4.42Å; I760-L867 HydrophobicContact CD1-CD2 3.47Å; I760-L867 VanDerWaalsContact CD1-CD2 3.47Å; C821-L867 HydrophobicContact CB-CD1 3.9Å; A863-L867 WeakPolarHBondContact O-CB 3.38Å; A863-L867 PolarHBondContact O-N 2.83Å; L864-L867 PolarHBondContact O-N 3.1Å; R865-L867 VanDerWaalsContact C-N 3.29Å; R865-L867 PolarHBondContact O-N 3.05Å; L867-P869 VanDerWaalsContact C-CD 3.47Å; L867-F870 PolarHBondContact O-N 3.48Å; L867-M871 HydrophobicContact CD1-CG 4.24Å; L867-M871 HydrophobicContact CD1-SD 4.07Å; L867-M871 HydrophobicContact CD2-CB 4.33Å; L867-M871 HydrophobicContact CD2-CG 4.34Å; L867-M871 HydrophobicContact CD2-SD 3.67Å; L867-M871 HydrophobicContact CG-CB 4.05Å; L867-M871 HydrophobicContact CG-CG 4.04Å; L867-M871 HydrophobicContact CG-SD 3.97Å; L867-M871 PolarHBondContact O-N 3.32Å; L867-T875 HydrophobicContact CB-CG2 3.88Å; L867-T875 HydrophobicContact CD2-CG2 3.99Å; L867-T875 HydrophobicContact CG-CG2 4.08Å
868	S	98.2	Very high	97.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.4	-170.9	-167.1	0	0	0	0	115.5	L864 R865 F870 M871 P872 T875	L864-S868 PolarHBondContact O-N 2.94Å; R865-S868 PolarHBondContact O-N 2.67Å; S868-F870 PolarHBondContact O-N 2.88Å; S868-M871 CarbonylContact O-C 3.52Å; S868-P872 WeakPolarHBondContact O-CA 3.45Å; S868-T875 WeakPolarHBondContact CA-OG1 3.39Å; S868-T875 WeakPolarHBondContact CB-OG1 3.25Å; S868-T875 PolarHBondContact OG-OG1 3.41Å
869	P	98.2	Very high	97.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31	174.4	-27.4	36.6	0	0	0	114.4	C156 R159 W160 M163 R730 F809 L866 L867 Y898	C156-P869 WeakPolarHBondContact CA-O 3.5Å; C156-P869 HydrophobicContact CB-CB 4.13Å; C156-P869 WeakPolarHBondContact CB-O 3.47Å; R159-P869 HydrophobicContact CB-CB 4.15Å; R159-P869 HydrophobicContact CB-CG 4.49Å; W160-P869 HydrophobicContact CB-CG 4.37Å; M163-P869 HydrophobicContact SD-CG 4.11Å; R730-P869 PolarHBondContact NH2-O 3.1Å; F809-P869 HydrophobicContact CZ-CB 3.87Å; F809-P869 HydrophobicContact CZ-CG 4.16Å; L866-P869 WeakPolarHBondContact O-CD 3.44Å; L867-P869 VanDerWaalsContact C-CD 3.47Å; P869-Y898 HydrophobicContact CG-CD2 4.28Å; P869-Y898 HydrophobicContact CG-CE2 3.81Å
870	F	98.2	Very high	97.5	Very high	1 Å²	1	4.8 Å²	4.8	0%	0.004	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-39.2	179.9	-60.6	-76.8	0	0	0	112.9	C156 R730 F731 C734 F809 F814 V817 T818 L867 S868 P872	C156-F870 HydrophobicContact CB-CD1 4.01Å; C156-F870 HydrophobicContact CB-CE1 3.92Å; C156-F870 HydrophobicContact CB-CZ 4.49Å; R730-F870 WeakPolarHBondContact CB-O 3.19Å; R730-F870 PolarHBondContact NE-O 3.48Å; F731-F870 HydrophobicContact CD2-CB 3.76Å; F731-F870 HydrophobicContact CD2-CG 4.31Å; F731-F870 HydrophobicContact CE2-CB 4.5Å; C734-F870 HydrophobicContact CB-CD1 3.7Å; C734-F870 HydrophobicContact CB-CE1 3.69Å; F809-F870 HydrophobicContact CE1-CE1 4.49Å; F809-F870 HydrophobicContact CE1-CE2 4.09Å; F809-F870 AromaticContact CE1-CZ 3.69Å; F809-F870 HydrophobicContact CE1-CZ 3.69Å; F809-F870 AromaticContact CE2-CE2 3.96Å; F809-F870 HydrophobicContact CE2-CE2 3.96Å; F809-F870 HydrophobicContact CE2-CZ 4.3Å; F809-F870 HydrophobicContact CZ-CD2 4.31Å; F809-F870 HydrophobicContact CZ-CE1 4.46Å; F809-F870 AromaticContact CZ-CE2 3.32Å; F809-F870 HydrophobicContact CZ-CE2 3.32Å; F809-F870 AromaticContact CZ-CZ 3.41Å; F809-F870 HydrophobicContact CZ-CZ 3.41Å; F809-F870 VanDerWaalsContact CZ-CZ 3.41Å; F814-F870 HydrophobicContact CB-CE1 4.33Å; F814-F870 HydrophobicContact CD1-CE1 4.39Å; F814-F870 HydrophobicContact CD1-CZ 4.46Å; V817-F870 HydrophobicContact CB-CE2 4.02Å; V817-F870 HydrophobicContact CB-CZ 3.95Å; V817-F870 HydrophobicContact CG1-CE2 3.42Å; V817-F870 VanDerWaalsContact CG1-CE2 3.42Å; V817-F870 HydrophobicContact CG1-CZ 3.84Å; T818-F870 HydrophobicContact CG2-CD1 4.15Å; T818-F870 HydrophobicContact CG2-CE1 4.12Å; T818-F870 HydrophobicContact CG2-CG 4.4Å; T818-F870 HydrophobicContact CG2-CZ 4.36Å; L867-F870 PolarHBondContact O-N 3.48Å; S868-F870 PolarHBondContact O-N 2.88Å; F870-P872 VanDerWaalsContact C-CD 3.5Å; F870-P872 WeakPolarHBondContact O-CD 3.47Å
871	M	98.3	Very high	97.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.028	C	C	.	.			trans	-122.2	71	-175.4	-59.8	-168.6	166.7	0	0	111.5	D727 F731 F756 I760 L867 S868 F873 I874 T875	D727-M871 HydrophobicContact CB-CB 3.76Å; D727-M871 HydrophobicContact CB-CG 3.88Å; D727-M871 HydrophobicContact CB-SD 4.33Å; D727-M871 WeakPolarHBondContact OD1-CA 3.27Å; F731-M871 HydrophobicContact CB-CE 3.33Å; F731-M871 HydrophobicContact CB-CG 4.1Å; F731-M871 HydrophobicContact CD1-CE 3.9Å; F731-M871 HydrophobicContact CD2-CE 3.58Å; F731-M871 HydrophobicContact CD2-CG 4Å; F731-M871 HydrophobicContact CD2-SD 4.32Å; F731-M871 HydrophobicContact CE2-CE 4.29Å; F731-M871 HydrophobicContact CG-CE 3.33Å; F731-M871 HydrophobicContact CG-CG 4.41Å; F756-M871 HydrophobicContact CD1-CE 3.68Å; F756-M871 HydrophobicContact CE1-CE 3.93Å; F756-M871 HydrophobicContact CE1-SD 4.49Å; I760-M871 HydrophobicContact CD1-SD 4.19Å; L867-M871 HydrophobicContact CD1-CG 4.24Å; L867-M871 HydrophobicContact CD1-SD 4.07Å; L867-M871 HydrophobicContact CD2-CB 4.33Å; L867-M871 HydrophobicContact CD2-CG 4.34Å; L867-M871 HydrophobicContact CD2-SD 3.67Å; L867-M871 HydrophobicContact CG-CB 4.05Å; L867-M871 HydrophobicContact CG-CG 4.04Å; L867-M871 HydrophobicContact CG-SD 3.97Å; L867-M871 PolarHBondContact O-N 3.32Å; S868-M871 CarbonylContact O-C 3.52Å; M871-F873 PolarHBondContact O-N 3.22Å; M871-I874 HydrophobicContact CB-CG2 3.78Å; M871-I874 HydrophobicContact SD-CG2 4.18Å; M871-T875 HydrophobicContact CB-CG2 4.41Å; M871-T875 WeakPolarHBondContact O-CB 3.38Å; M871-T875 WeakPolarHBondContact O-CG2 3.45Å; M871-T875 PolarHBondContact O-N 2.98Å; M871-T875 PolarHBondContact O-OG1 3.5Å
872	P	98.1	Very high	97.2	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-65.4	-31.1	-171.6	26.6	-36.9	0	0	0	114.6	W106 R159 D727 S868 F870 T875 E876	W106-P872 HydrophobicContact CH2-CB 3.96Å; R159-P872 VanDerWaalsContact CZ-CB 3.47Å; D727-P872 WeakPolarHBondContact OD1-CD 3.48Å; D727-P872 VanDerWaalsContact OD1-N 3.08Å; S868-P872 WeakPolarHBondContact O-CA 3.45Å; F870-P872 VanDerWaalsContact C-CD 3.5Å; F870-P872 WeakPolarHBondContact O-CD 3.47Å; P872-T875 PolarHBondContact O-OG1 2.77Å; P872-E876 VanDerWaalsContact O-CB 3.29Å; P872-E876 WeakPolarHBondContact O-CB 3.2Å; P872-E876 PolarHBondContact O-N 3.33Å
873	F	98.3	Very high	96.9	Very high	5 Å²	5	6.8 Å²	6.8	2%	0.022	3%	0.033	C	C	.	.	H	α-helix	trans	-79.4	-52.3	-171.6	-64.9	-85.5	0	0	0	112.6	V98 E99 W102 Y103 W106 T726 D727 M871 T875 E876 E877	V98-F873 HydrophobicContact CG1-CB 4.13Å; E99-F873 HydrophobicContact CB-CD1 4Å; E99-F873 HydrophobicContact CB-CE1 4.35Å; E99-F873 HydrophobicContact CB-CG 4.26Å; E99-F873 HydrophobicContact CG-CB 3.88Å; E99-F873 HydrophobicContact CG-CD1 4.04Å; E99-F873 HydrophobicContact CG-CD2 4.13Å; E99-F873 HydrophobicContact CG-CG 3.77Å; W102-F873 HydrophobicContact CB-CD1 4.2Å; Y103-F873 HydrophobicContact CD2-CZ 4.4Å; W106-F873 AromaticContact CH2-CD1 3.57Å; W106-F873 HydrophobicContact CH2-CD1 3.57Å; W106-F873 AromaticContact CH2-CE1 3.78Å; W106-F873 HydrophobicContact CH2-CE1 3.78Å; W106-F873 HydrophobicContact CH2-CG 4.01Å; W106-F873 HydrophobicContact CH2-CZ 4.36Å; W106-F873 AromaticContact CZ3-CD1 3.87Å; W106-F873 HydrophobicContact CZ3-CD1 3.87Å; W106-F873 AromaticContact CZ3-CE1 3.55Å; W106-F873 HydrophobicContact CZ3-CE1 3.55Å; W106-F873 AromaticContact CZ3-CZ 3.92Å; W106-F873 HydrophobicContact CZ3-CZ 3.92Å; T726-F873 HydrophobicContact CG2-CD2 4.08Å; T726-F873 HydrophobicContact CG2-CE2 3.62Å; D727-F873 PolarHBondContact OD1-N 2.82Å; D727-F873 VanDerWaalsContact OD1-N 3.11Å; D727-F873 WeakPolarHBondContact OD2-CB 3.43Å; D727-F873 PolarHBondContact OD2-N 2.79Å; M871-F873 PolarHBondContact O-N 3.22Å; F873-T875 VanDerWaalsContact C-N 3.28Å; F873-T875 PolarHBondContact O-N 2.88Å; F873-E876 PolarHBondContact O-N 2.92Å; F873-E877 WeakPolarHBondContact O-CB 3.23Å; F873-E877 PolarHBondContact O-N 3.41Å
874	I	97.7	Very high	96.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.6	-35.9	179.3	-165.6	171.4	0	0	0	111.1	Y93 V98 D727 C757 I760 M871 L878	Y93-I874 HydrophobicContact CD2-CD1 3.96Å; Y93-I874 HydrophobicContact CE2-CD1 3.83Å; Y93-I874 HydrophobicContact CE2-CG1 4.27Å; V98-I874 HydrophobicContact CG1-CB 4.23Å; D727-I874 HydrophobicContact CB-CG2 4.41Å; D727-I874 VanDerWaalsContact OD2-CB 3.28Å; D727-I874 WeakPolarHBondContact OD2-CB 3.34Å; D727-I874 VanDerWaalsContact OD2-CG2 3.26Å; D727-I874 WeakPolarHBondContact OD2-CG2 3.2Å; D727-I874 PolarHBondContact OD2-N 3.41Å; C757-I874 HydrophobicContact CB-CD1 3.8Å; C757-I874 WeakPolarHBondContact O-CD1 3.4Å; I760-I874 HydrophobicContact CB-CD1 4.44Å; I760-I874 HydrophobicContact CG2-CD1 4.49Å; M871-I874 HydrophobicContact CB-CG2 3.78Å; M871-I874 HydrophobicContact SD-CG2 4.18Å; I874-L878 HydrophobicContact CD1-CD1 4.3Å; I874-L878 HydrophobicContact CG1-CD1 3.71Å; I874-L878 HydrophobicContact CG1-CG 4.28Å; I874-L878 WeakPolarHBondContact O-CB 3.39Å; I874-L878 WeakPolarHBondContact O-CG 3.36Å; I874-L878 PolarHBondContact O-N 2.79Å
875	T	98.2	Very high	95.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-70	-40.4	178.1	58.2	0	0	0	0	111.4	L864 L867 S868 M871 P872 F873 W879	L864-T875 HydrophobicContact CD2-CG2 4.15Å; L864-T875 WeakPolarHBondContact O-CG2 3.29Å; L867-T875 HydrophobicContact CB-CG2 3.88Å; L867-T875 HydrophobicContact CD2-CG2 3.99Å; L867-T875 HydrophobicContact CG-CG2 4.08Å; S868-T875 WeakPolarHBondContact CA-OG1 3.39Å; S868-T875 WeakPolarHBondContact CB-OG1 3.25Å; S868-T875 PolarHBondContact OG-OG1 3.41Å; M871-T875 HydrophobicContact CB-CG2 4.41Å; M871-T875 WeakPolarHBondContact O-CB 3.38Å; M871-T875 WeakPolarHBondContact O-CG2 3.45Å; M871-T875 PolarHBondContact O-N 2.98Å; M871-T875 PolarHBondContact O-OG1 3.5Å; P872-T875 PolarHBondContact O-OG1 2.77Å; F873-T875 VanDerWaalsContact C-N 3.28Å; F873-T875 PolarHBondContact O-N 2.88Å; T875-W879 WeakPolarHBondContact O-CB 3.07Å; T875-W879 PolarHBondContact O-N 2.82Å
876	E	97.9	Very high	93.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-49.4	172.8	-173.3	78.4	-123.1	0	0	111.6	W102 W106 P872 F873 L878 W879 Q880 S892 I893	W102-E876 HydrophobicContact CD2-CB 4.5Å; W102-E876 HydrophobicContact CD2-CG 3.74Å; W102-E876 HydrophobicContact CE3-CG 3.64Å; W102-E876 HydrophobicContact CG-CG 4.3Å; W102-E876 HydrophobicContact CH2-CG 4.35Å; W102-E876 HydrophobicContact CZ2-CG 4.41Å; W102-E876 HydrophobicContact CZ3-CG 3.95Å; W106-E876 HydrophobicContact CZ2-CB 3.73Å; W106-E876 HydrophobicContact CZ2-CG 3.82Å; W106-E876 PolarHBondContact NE1-OE2 3.31Å; P872-E876 VanDerWaalsContact O-CB 3.29Å; P872-E876 WeakPolarHBondContact O-CB 3.2Å; P872-E876 PolarHBondContact O-N 3.33Å; F873-E876 PolarHBondContact O-N 2.92Å; E876-L878 VanDerWaalsContact C-N 3.29Å; E876-L878 PolarHBondContact O-N 3.3Å; E876-W879 PolarHBondContact O-N 2.84Å; E876-Q880 HydrophobicContact CG-CG 4.34Å; E876-Q880 WeakPolarHBondContact O-CB 3.31Å; E876-Q880 WeakPolarHBondContact O-CG 3.33Å; E876-Q880 PolarHBondContact O-N 2.98Å; E876-Q880 PolarHBondContact OE1-NE2 3.11Å; E876-S892 WeakPolarHBondContact OE1-CA 3.28Å; E876-S892 PolarHBondContact OE1-OG 2.94Å; E876-S892 PolarHBondContact OE2-OG 2.87Å; E876-I893 HydrophobicContact CB-CG2 3.97Å; E876-I893 HydrophobicContact CG-CG2 4.5Å; E876-I893 PolarHBondContact OE1-N 3.41Å; E876-I893 WeakPolarHBondContact OE2-CG2 3.35Å
877	E	97.1	Very high	92.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.8	-43.8	-179.4	-178.6	73.5	-164.7	0	0	112.5	K83 Y97 V98 W102 W761 F873 R881	K83-E877 WeakPolarHBondContact CD-OE2 3.37Å; K83-E877 VanDerWaalsContact NZ-CD 3.33Å; K83-E877 IonicContact NZ-OE1 2.67Å; K83-E877 PolarHBondContact NZ-OE1 3.04Å; K83-E877 IonicContact NZ-OE2 2.55Å; K83-E877 PolarHBondContact NZ-OE2 2.88Å; Y97-E877 VanDerWaalsContact CE1-OE1 3.28Å; Y97-E877 WeakPolarHBondContact CE1-OE1 3.09Å; V98-E877 HydrophobicContact CG1-CB 3.9Å; V98-E877 HydrophobicContact CG1-CG 4.2Å; V98-E877 HydrophobicContact CG2-CG 4.21Å; W102-E877 VanDerWaalsContact CE2-OE2 3.24Å; W102-E877 VanDerWaalsContact CZ2-OE2 3.27Å; W102-E877 WeakPolarHBondContact CZ2-OE2 3.46Å; W102-E877 PolarHBondContact NE1-OE2 3.34Å; W761-E877 HydrophobicContact CH2-CG 4.39Å; W761-E877 HydrophobicContact CZ3-CG 3.91Å; F873-E877 WeakPolarHBondContact O-CB 3.23Å; F873-E877 PolarHBondContact O-N 3.41Å; E877-R881 PolarHBondContact O-NH1 2.74Å; E877-R881 IonicContact OE1-CZ 3.12Å; E877-R881 IonicContact OE1-NH1 3.57Å; E877-R881 PolarHBondContact OE1-NH1 2.98Å; E877-R881 IonicContact OE1-NH2 2.82Å; E877-R881 PolarHBondContact OE1-NH2 3.07Å; E877-R881 IonicContact OE2-NH1 3.82Å
878	L	97.1	Very high	91.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-80.8	-39.9	-177.2	-64.6	174.4	0	0	0	111.9	L89 I760 W761 C764 L864 I874 E876 Q880 R881 L882	L89-L878 HydrophobicContact CD1-CD2 4.29Å; L89-L878 HydrophobicContact CD2-CD2 4.37Å; I760-L878 HydrophobicContact CG2-CD1 3.71Å; W761-L878 HydrophobicContact CE3-CD2 3.85Å; W761-L878 HydrophobicContact CE3-CG 4.46Å; W761-L878 HydrophobicContact CZ3-CD2 4.13Å; C764-L878 HydrophobicContact CB-CB 4.48Å; C764-L878 HydrophobicContact CB-CD1 4.07Å; C764-L878 HydrophobicContact CB-CD2 3.82Å; C764-L878 HydrophobicContact CB-CG 4.34Å; L864-L878 HydrophobicContact CD1-CB 3.97Å; L864-L878 HydrophobicContact CD2-CB 4.15Å; L864-L878 HydrophobicContact CD2-CD1 4.23Å; I874-L878 HydrophobicContact CD1-CD1 4.3Å; I874-L878 HydrophobicContact CG1-CD1 3.71Å; I874-L878 HydrophobicContact CG1-CG 4.28Å; I874-L878 WeakPolarHBondContact O-CB 3.39Å; I874-L878 WeakPolarHBondContact O-CG 3.36Å; I874-L878 PolarHBondContact O-N 2.79Å; E876-L878 VanDerWaalsContact C-N 3.29Å; E876-L878 PolarHBondContact O-N 3.3Å; L878-Q880 VanDerWaalsContact C-N 3.32Å; L878-Q880 PolarHBondContact O-N 2.91Å; L878-R881 PolarHBondContact O-N 3.3Å; L878-R881 VanDerWaalsContact O-N 3.14Å; L878-L882 PolarHBondContact O-N 3.15Å
879	W	96.1	Very high	90.6	Very high	10 Å²	10	32.6 Å²	32.6	4%	0.038	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-37.8	-179.8	-171.7	81.7	0	0	0	112	D861 L864 T875 E876 R881 L882 I893 A896	D861-W879 PolarHBondContact OD1-NE1 2.85Å; L864-W879 HydrophobicContact CD1-CB 4.2Å; T875-W879 WeakPolarHBondContact O-CB 3.07Å; T875-W879 PolarHBondContact O-N 2.82Å; E876-W879 PolarHBondContact O-N 2.84Å; W879-R881 PolarHBondContact O-N 3.27Å; W879-R881 VanDerWaalsContact O-N 3.15Å; W879-L882 PolarHBondContact O-N 2.98Å; W879-L882 VanDerWaalsContact O-N 3.14Å; W879-I893 HydrophobicContact CB-CB 4.24Å; W879-I893 HydrophobicContact CB-CD1 3.76Å; W879-I893 HydrophobicContact CD2-CB 3.97Å; W879-I893 HydrophobicContact CD2-CD1 4.41Å; W879-I893 HydrophobicContact CD2-CG1 4.39Å; W879-I893 HydrophobicContact CE3-CB 4.05Å; W879-I893 HydrophobicContact CG-CB 4.05Å; W879-I893 HydrophobicContact CG-CD1 3.7Å; W879-I893 HydrophobicContact CG-CG1 4.19Å; W879-A896 HydrophobicContact CZ2-CB 4.49Å
880	Q	94.8	Very high	90.3	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.065	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.7	176.6	-69.2	-67.6	-12	0	0	114.1	V85 W102 E876 L878 D891	V85-Q880 HydrophobicContact CG1-CB 4.32Å; V85-Q880 HydrophobicContact CG2-CB 4.33Å; W102-Q880 HydrophobicContact CH2-CB 4.19Å; W102-Q880 HydrophobicContact CH2-CG 3.76Å; W102-Q880 HydrophobicContact CZ2-CG 4.49Å; W102-Q880 HydrophobicContact CZ3-CG 4.2Å; E876-Q880 HydrophobicContact CG-CG 4.34Å; E876-Q880 WeakPolarHBondContact O-CB 3.31Å; E876-Q880 WeakPolarHBondContact O-CG 3.33Å; E876-Q880 PolarHBondContact O-N 2.98Å; E876-Q880 PolarHBondContact OE1-NE2 3.11Å; L878-Q880 VanDerWaalsContact C-N 3.32Å; L878-Q880 PolarHBondContact O-N 2.91Å; Q880-D891 PolarHBondContact NE2-O 3.37Å
881	R	93.6	Very high	90	Very high	31 Å²	31	38.9 Å²	38.9	12%	0.117	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-15.6	177.5	-72.3	-180	172.3	78.5	-7	113.7	V85 Y97 L768 E877 L878 W879	V85-R881 HydrophobicContact CB-CG 3.89Å; V85-R881 VanDerWaalsContact CG1-NH1 3.33Å; V85-R881 HydrophobicContact CG2-CG 4.29Å; V85-R881 PolarHBondContact O-NE 3.48Å; Y97-R881 PolarHBondContact OH-NH2 3.03Å; L768-R881 HydrophobicContact CD1-CB 4.01Å; L768-R881 VanDerWaalsContact CD2-O 3.29Å; L768-R881 WeakPolarHBondContact CD2-O 3.3Å; E877-R881 PolarHBondContact O-NH1 2.74Å; E877-R881 IonicContact OE1-CZ 3.12Å; E877-R881 IonicContact OE1-NH1 3.57Å; E877-R881 PolarHBondContact OE1-NH1 2.98Å; E877-R881 IonicContact OE1-NH2 2.82Å; E877-R881 PolarHBondContact OE1-NH2 3.07Å; E877-R881 IonicContact OE2-NH1 3.82Å; L878-R881 PolarHBondContact O-N 3.3Å; L878-R881 VanDerWaalsContact O-N 3.14Å; W879-R881 PolarHBondContact O-N 3.27Å; W879-R881 VanDerWaalsContact O-N 3.15Å
882	L	92.7	Very high	89.9	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.047	21%	0.209	C	C	.	.	S	Bend	trans	-66.2	142.2	176.8	-69.4	179.2	0	0	0	109.9	L768 V860 D861 L864 L878 W879 R884	L768-L882 HydrophobicContact CD2-CD2 4.18Å; V860-L882 HydrophobicContact CG1-CD1 4.09Å; V860-L882 HydrophobicContact CG1-CD2 4.09Å; D861-L882 HydrophobicContact CB-CD1 4.19Å; L864-L882 HydrophobicContact CD1-CD1 3.76Å; L864-L882 HydrophobicContact CD1-CG 4.49Å; L878-L882 PolarHBondContact O-N 3.15Å; W879-L882 PolarHBondContact O-N 2.98Å; W879-L882 VanDerWaalsContact O-N 3.14Å; L882-R884 PolarHBondContact O-N 3.13Å
883	P	90.1	Very high	89.8	Confident	39 Å²	39	38.9 Å²	38.9	25%	0.253	21%	0.209	S	C	.	.			trans	-56.4	134.3	171.8	-24.4	35.1	0	0	0	110.4	L771 F775 V777	L771-P883 HydrophobicContact CD1-CG 3.94Å; F775-P883 HydrophobicContact CD1-CB 4.15Å; F775-P883 HydrophobicContact CD1-CG 4.07Å; V777-P883 HydrophobicContact CG2-CB 3.92Å; V777-P883 WeakPolarHBondContact CG2-O 3.23Å
884	R	82.9	Confident	89.6	Confident	112 Å²	112	38.7 Å²	38.7	42%	0.423	21%	0.209	S	C	.	.			trans	-111.1	148	-179.4	-62.9	-169.4	-65.5	165.7	3.7	111	L882	L882-R884 PolarHBondContact O-N 3.13Å
885	S	79.7	Confident	89.4	Confident	18 Å²	18	40 Å²	40	13%	0.126	22%	0.217	C	C	.	.			trans	-72.7	154.3	178.3	65.8	0	0	0	0	111.6	V777 G887 Q889	V777-S885 WeakPolarHBondContact O-CB 3.47Å; S885-G887 PolarHBondContact O-N 3.48Å; S885-Q889 PolarHBondContact OG-NE2 3.4Å
886	S	68	Low	89.3	Confident	105 Å²	105	40.2 Å²	40.2	73%	0.734	22%	0.218	S	C	*	.	S	Bend	trans	-71.7	97.4	178.2	47.1	0	0	0	0	110.5	K779	K779-S886 WeakPolarHBondContact CE-O 3.47Å
887	G	71.5	Confident	89.1	Confident	51 Å²	51	43 Å²	43	53%	0.526	24%	0.241	S	C	.	.	S	Bend	trans	175.6	177.7	-179.5	0	0	0	0	0	113	S885 Q889	S885-G887 PolarHBondContact O-N 3.48Å; G887-Q889 PolarHBondContact O-N 2.85Å; G887-Q889 VanDerWaalsContact O-N 3.11Å
888	K	73	Confident	89.1	Confident	223 Å²	223	43.2 Å²	43.2	97%	0.97	24%	0.242	S	C	*	.			trans	-74.6	100.3	175.4	-148.1	178	-171.9	-176.7	0	108.1
889	Q	81.4	Confident	89.1	Confident	64 Å²	64	43.1 Å²	43.1	30%	0.299	24%	0.242	S	C	.	.			trans	-107.2	156.9	178.6	-69.9	-142.3	-12.8	0	0	111	S885 G887	S885-Q889 PolarHBondContact OG-NE2 3.4Å; G887-Q889 PolarHBondContact O-N 2.85Å; G887-Q889 VanDerWaalsContact O-N 3.11Å
890	P	90.6	Very high	89	Confident	46 Å²	46	44.7 Å²	44.7	30%	0.299	25%	0.25	S	S	.	.			trans	-55.6	140.4	170.9	-20.8	31.6	0	0	0	111.1	S892 V895 A896	P890-S892 VanDerWaalsContact C-N 3.3Å; P890-S892 PolarHBondContact O-N 2.87Å; P890-V895 HydrophobicContact CB-CG2 4.18Å; P890-A896 HydrophobicContact CB-CB 4.27Å; P890-A896 HydrophobicContact CG-CB 4.17Å
891	D	92.5	Very high	88.9	Confident	87 Å²	87	45.7 Å²	45.7	47%	0.465	26%	0.262	S	S	.	.	S	Bend	trans	-71.2	-28.4	-179.6	-74.9	-40.3	0	0	0	112.6	W105 F111 Q880	W105-D891 WeakPolarHBondContact CH2-O 3.44Å; F111-D891 HydrophobicContact CE1-CB 4.43Å; F111-D891 HydrophobicContact CZ-CB 4.06Å; Q880-D891 PolarHBondContact NE2-O 3.37Å
892	S	95.8	Very high	88.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-135.9	149.8	-176.3	159.5	0	0	0	0	111	F111 E876 P890 C894 V895 A896	F111-S892 VanDerWaalsContact CE2-CB 3.48Å; E876-S892 WeakPolarHBondContact OE1-CA 3.28Å; E876-S892 PolarHBondContact OE1-OG 2.94Å; E876-S892 PolarHBondContact OE2-OG 2.87Å; P890-S892 VanDerWaalsContact C-N 3.3Å; P890-S892 PolarHBondContact O-N 2.87Å; S892-C894 PolarHBondContact O-N 3.1Å; S892-C894 WeakPolarHBondContact OG-CB 3.46Å; S892-C894 PolarHBondContact OG-N 3.36Å; S892-V895 VanDerWaalsContact O-CG2 3.31Å; S892-V895 WeakPolarHBondContact O-CG2 3.3Å; S892-V895 PolarHBondContact O-N 3.34Å; S892-A896 PolarHBondContact O-N 2.78Å
893	I	96.4	Very high	88.7	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-61.8	-26.9	173	-168.4	163	0	0	0	112.1	L864 R865 E876 W879 V895 A896	L864-I893 HydrophobicContact CB-CD1 4.11Å; R865-I893 HydrophobicContact CG-CD1 4Å; R865-I893 HydrophobicContact CG-CG1 4.13Å; E876-I893 HydrophobicContact CB-CG2 3.97Å; E876-I893 HydrophobicContact CG-CG2 4.5Å; E876-I893 PolarHBondContact OE1-N 3.41Å; E876-I893 WeakPolarHBondContact OE2-CG2 3.35Å; W879-I893 HydrophobicContact CB-CB 4.24Å; W879-I893 HydrophobicContact CB-CD1 3.76Å; W879-I893 HydrophobicContact CD2-CB 3.97Å; W879-I893 HydrophobicContact CD2-CD1 4.41Å; W879-I893 HydrophobicContact CD2-CG1 4.39Å; W879-I893 HydrophobicContact CE3-CB 4.05Å; W879-I893 HydrophobicContact CG-CB 4.05Å; W879-I893 HydrophobicContact CG-CD1 3.7Å; W879-I893 HydrophobicContact CG-CG1 4.19Å; I893-V895 PolarHBondContact O-N 3Å; I893-V895 VanDerWaalsContact O-N 3.13Å; I893-A896 WeakPolarHBondContact O-CB 3.49Å; I893-A896 PolarHBondContact O-N 2.72Å; I893-A896 VanDerWaalsContact O-N 3.1Å
894	C	94	Very high	88.9	Confident	1 Å²	1	53 Å²	53	1%	0.007	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-58.2	-26.2	177.6	-172.7	0	0	0	0	113.3	R159 R162 S892	R159-C894 PolarHBondContact NH1-SG 3.25Å; R162-C894 WeakPolarHBondContact CD-O 3.35Å; R162-C894 PolarHBondContact NH1-SG 3.17Å; S892-C894 PolarHBondContact O-N 3.1Å; S892-C894 WeakPolarHBondContact OG-CB 3.46Å; S892-C894 PolarHBondContact OG-N 3.36Å
895	V	94.6	Very high	89.4	Confident	27 Å²	27	52.2 Å²	52.2	16%	0.164	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-119.3	12.9	-179.1	-67.3	0	0	0	0	111.9	F111 Y116 P890 S892 I893	F111-V895 HydrophobicContact CB-CG1 4.09Å; F111-V895 HydrophobicContact CD1-CG1 4.18Å; F111-V895 HydrophobicContact CD1-CG2 4.32Å; F111-V895 HydrophobicContact CE1-CG2 4.47Å; F111-V895 HydrophobicContact CG-CG1 4.32Å; Y116-V895 HydrophobicContact CD1-CB 4.49Å; Y116-V895 HydrophobicContact CD1-CG1 3.86Å; Y116-V895 HydrophobicContact CE1-CB 3.91Å; Y116-V895 HydrophobicContact CE1-CG1 3.67Å; Y116-V895 HydrophobicContact CE1-CG2 3.97Å; P890-V895 HydrophobicContact CB-CG2 4.18Å; S892-V895 VanDerWaalsContact O-CG2 3.31Å; S892-V895 WeakPolarHBondContact O-CG2 3.3Å; S892-V895 PolarHBondContact O-N 3.34Å; I893-V895 PolarHBondContact O-N 3Å; I893-V895 VanDerWaalsContact O-N 3.13Å
896	A	94.5	Very high	90.1	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	31%	0.305	C	S	.	.	S	Bend	trans	-81.3	152.3	172.9	0	0	0	0	0	111	M163 W879 P890 S892 I893 Y898	M163-A896 WeakPolarHBondContact CA-O 3.27Å; M163-A896 VanDerWaalsContact CB-O 3.23Å; M163-A896 WeakPolarHBondContact CB-O 3.39Å; M163-A896 VanDerWaalsContact CG-O 3.27Å; M163-A896 WeakPolarHBondContact CG-O 3.14Å; W879-A896 HydrophobicContact CZ2-CB 4.49Å; P890-A896 HydrophobicContact CB-CB 4.27Å; P890-A896 HydrophobicContact CG-CB 4.17Å; S892-A896 PolarHBondContact O-N 2.78Å; I893-A896 WeakPolarHBondContact O-CB 3.49Å; I893-A896 PolarHBondContact O-N 2.72Å; I893-A896 VanDerWaalsContact O-N 3.1Å; A896-Y898 PolarHBondContact O-N 3.13Å
897	A	94.6	Very high	91.3	Very high	58 Å²	58	54.4 Å²	54.4	48%	0.479	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-64.1	131.1	-179.8	0	0	0	0	0	111.6	M163 R865	M163-A897 CarbonylContact O-C 3.53Å; M163-A897 WeakPolarHBondContact O-CA 3.28Å; R865-A897 WeakPolarHBondContact CD-O 3.27Å; R865-A897 PolarHBondContact NH1-O 2.98Å
898	Y	97	Very high	92.4	Very high	6 Å²	6	55.2 Å²	55.2	2%	0.024	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-70.2	135.6	175.4	-162.8	-99.3	0	0	0	110.1	W160 M163 K164 F809 R865 L866 P869 A896 D900	W160-Y898 AromaticContact CD1-CD1 3.75Å; W160-Y898 AromaticContact CD1-CD2 3.9Å; W160-Y898 AromaticContact CD1-CE1 3.78Å; W160-Y898 AromaticContact CD1-CE2 3.94Å; W160-Y898 AromaticContact CD1-CG 3.81Å; W160-Y898 AromaticContact CD1-CZ 3.87Å; W160-Y898 AromaticContact NE1-CD1 3.67Å; W160-Y898 AromaticContact NE1-CE1 3.73Å; M163-Y898 HydrophobicContact CB-CD2 4.3Å; M163-Y898 HydrophobicContact CB-CG 4.46Å; M163-Y898 HydrophobicContact CE-CD2 3.96Å; M163-Y898 PolarHBondContact O-N 2.87Å; M163-Y898 HydrophobicContact SD-CD2 4.03Å; K164-Y898 HydrophobicContact CD-CD1 4.45Å; F809-Y898 HydrophobicContact CE2-CE2 4.4Å; F809-Y898 AromaticContact CE2-CZ 3.97Å; F809-Y898 WeakPolarHBondContact CE2-OH 3.48Å; R865-Y898 WeakPolarHBondContact O-CE2 3.27Å; L866-Y898 HydrophobicContact CD2-CE1 3.77Å; L866-Y898 HydrophobicContact CD2-CE2 4.35Å; L866-Y898 VanDerWaalsContact CD2-OH 3.28Å; L866-Y898 WeakPolarHBondContact CD2-OH 3.23Å; L866-Y898 PolarHBondContact O-OH 2.84Å; P869-Y898 HydrophobicContact CG-CD2 4.28Å; P869-Y898 HydrophobicContact CG-CE2 3.81Å; A896-Y898 PolarHBondContact O-N 3.13Å; Y898-D900 PolarHBondContact O-N 3.03Å
899	P	96.8	Very high	93.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-53.9	120.8	176.9	-29.2	37.6	0	0	0	112.4	V802 N806 A862 R865 L866 F904	V802-P899 HydrophobicContact CG1-CB 4.12Å; V802-P899 HydrophobicContact CG2-CB 3.97Å; N806-P899 PolarHBondContact ND2-O 2.83Å; A862-P899 HydrophobicContact CB-CG 4.49Å; R865-P899 HydrophobicContact CB-CG 3.81Å; L866-P899 HydrophobicContact CD2-CB 3.86Å; L866-P899 HydrophobicContact CD2-CG 3.9Å; L866-P899 HydrophobicContact CG-CB 4.34Å; L866-P899 HydrophobicContact CG-CG 4.03Å; P899-F904 HydrophobicContact CB-CE2 3.58Å; P899-F904 HydrophobicContact CB-CZ 3.86Å
900	D	94.1	Very high	94	Very high	42 Å²	42	50.1 Å²	50.1	23%	0.225	28%	0.275	C	S	.	.			trans	-105.9	144.1	178.8	-156.8	-43.5	0	0	0	111.1	K164 Y898 F902 E903 F904	K164-D900 IonicContact NZ-OD2 3.73Å; K164-D900 PolarHBondContact NZ-OD2 3.09Å; Y898-D900 PolarHBondContact O-N 3.03Å; D900-F902 HydrophobicContact CB-CD1 3.65Å; D900-F902 HydrophobicContact CB-CE1 3.4Å; D900-F902 VanDerWaalsContact CB-CE1 3.4Å; D900-F902 HydrophobicContact CB-CZ 4.21Å; D900-F902 PolarHBondContact O-N 3Å; D900-F902 VanDerWaalsContact O-N 3.08Å; D900-F902 WeakPolarHBondContact OD1-CD1 3.41Å; D900-E903 HydrophobicContact CB-CG 4.37Å; D900-E903 PolarHBondContact N-OE2 2.93Å; D900-E903 VanDerWaalsContact N-OE2 3.09Å; D900-E903 WeakPolarHBondContact O-CB 3.41Å; D900-E903 PolarHBondContact O-N 3Å; D900-F904 VanDerWaalsContact O-CD2 3.24Å; D900-F904 WeakPolarHBondContact O-CD2 3.22Å
901	A	92.3	Very high	94.2	Very high	36 Å²	36	48.6 Å²	48.6	30%	0.298	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-56.4	-32.4	-173.2	0	0	0	0	0	113.4	E903 F904	A901-E903 VanDerWaalsContact C-N 3.25Å; A901-E903 PolarHBondContact O-N 2.93Å; A901-F904 PolarHBondContact O-N 3.03Å
902	F	91.9	Very high	94.3	Very high	154 Å²	154	45.4 Å²	45.4	68%	0.675	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-68.1	-23.5	178.4	74.7	-96.9	0	0	0	113.5	D900 F904	D900-F902 HydrophobicContact CB-CD1 3.65Å; D900-F902 HydrophobicContact CB-CE1 3.4Å; D900-F902 VanDerWaalsContact CB-CE1 3.4Å; D900-F902 HydrophobicContact CB-CZ 4.21Å; D900-F902 PolarHBondContact O-N 3Å; D900-F902 VanDerWaalsContact O-N 3.08Å; D900-F902 WeakPolarHBondContact OD1-CD1 3.41Å; F902-F904 VanDerWaalsContact C-N 3.25Å; F902-F904 PolarHBondContact O-N 3.37Å
903	E	91.4	Very high	94.2	Very high	76 Å²	76	52.1 Å²	52.1	36%	0.355	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-77.9	-13.1	177.1	-57.4	-179.7	121.8	0	0	112.2	D900 A901 P905 W906	D900-E903 HydrophobicContact CB-CG 4.37Å; D900-E903 PolarHBondContact N-OE2 2.93Å; D900-E903 VanDerWaalsContact N-OE2 3.09Å; D900-E903 WeakPolarHBondContact O-CB 3.41Å; D900-E903 PolarHBondContact O-N 3Å; A901-E903 VanDerWaalsContact C-N 3.25Å; A901-E903 PolarHBondContact O-N 2.93Å; E903-P905 VanDerWaalsContact O-CD 3.28Å; E903-P905 WeakPolarHBondContact O-CD 3.29Å; E903-W906 WeakPolarHBondContact O-CH2 3.11Å; E903-W906 WeakPolarHBondContact O-CZ3 3.34Å
904	F	94.3	Very high	94	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	29%	0.291	C	S	.	.			trans	-120.8	64.7	-176.2	-59.1	-98.3	0	0	0	112.1	L798 S799 V802 F858 A862 P899 D900 A901 F902 W906	L798-F904 HydrophobicContact CD2-CD1 3.83Å; L798-F904 HydrophobicContact CD2-CE1 3.66Å; L798-F904 HydrophobicContact CG-CD1 3.98Å; L798-F904 HydrophobicContact CG-CE1 4.07Å; S799-F904 VanDerWaalsContact CB-O 3.26Å; S799-F904 WeakPolarHBondContact CB-O 3.17Å; S799-F904 PolarHBondContact OG-O 3Å; V802-F904 HydrophobicContact CB-CD2 4.36Å; V802-F904 HydrophobicContact CG1-CD2 3.95Å; V802-F904 HydrophobicContact CG1-CE2 4.37Å; V802-F904 HydrophobicContact CG2-CD1 4.23Å; V802-F904 HydrophobicContact CG2-CD2 3.92Å; V802-F904 HydrophobicContact CG2-CE1 4.35Å; V802-F904 HydrophobicContact CG2-CE2 4.09Å; V802-F904 HydrophobicContact CG2-CG 4.03Å; V802-F904 HydrophobicContact CG2-CZ 4.29Å; F858-F904 AromaticContact CE1-CD1 3.84Å; F858-F904 HydrophobicContact CE1-CD1 3.84Å; F858-F904 AromaticContact CE1-CE1 3.53Å; F858-F904 HydrophobicContact CE1-CE1 3.53Å; F858-F904 HydrophobicContact CE2-CE1 4.38Å; F858-F904 AromaticContact CZ-CD1 3.9Å; F858-F904 HydrophobicContact CZ-CD1 3.9Å; F858-F904 AromaticContact CZ-CE1 3.38Å; F858-F904 HydrophobicContact CZ-CE1 3.38Å; F858-F904 HydrophobicContact CZ-CZ 4Å; A862-F904 HydrophobicContact CB-CE1 3.67Å; A862-F904 HydrophobicContact CB-CZ 3.69Å; P899-F904 HydrophobicContact CB-CE2 3.58Å; P899-F904 HydrophobicContact CB-CZ 3.86Å; D900-F904 VanDerWaalsContact O-CD2 3.24Å; D900-F904 WeakPolarHBondContact O-CD2 3.22Å; A901-F904 PolarHBondContact O-N 3.03Å; F902-F904 VanDerWaalsContact C-N 3.25Å; F902-F904 PolarHBondContact O-N 3.37Å; F904-W906 HydrophobicContact CB-CE3 4.15Å; F904-W906 HydrophobicContact CB-CZ3 4.12Å; F904-W906 HydrophobicContact CD1-CE3 4.28Å; F904-W906 AromaticContact CD1-CZ3 3.79Å; F904-W906 HydrophobicContact CD1-CZ3 3.79Å; F904-W906 HydrophobicContact CG-CZ3 4.17Å; F904-W906 PolarHBondContact O-N 2.64Å; F904-W906 VanDerWaalsContact O-N 3.1Å
905	P	93.5	Very high	94	Very high	96 Å²	96	54.5 Å²	54.5	62%	0.623	29%	0.291	S	S	*	.			trans	-77.8	11.1	-174.3	34.5	-38.6	0	0	0	114.7	E903 K907	E903-P905 VanDerWaalsContact O-CD 3.28Å; E903-P905 WeakPolarHBondContact O-CD 3.29Å; P905-K907 VanDerWaalsContact C-N 3.3Å; P905-K907 PolarHBondContact O-N 2.81Å
906	W	93.7	Very high	93.9	Very high	57 Å²	57	56.9 Å²	56.9	22%	0.216	31%	0.309	C	S	.	.			trans	-87.5	15.4	-171.3	-56	-74.2	0	0	0	115	F781 L795 S796 F858 E903 F904 N908	F781-W906 AromaticContact CD1-CH2 3.56Å; F781-W906 HydrophobicContact CD1-CH2 3.56Å; F781-W906 AromaticContact CD1-CZ2 3.54Å; F781-W906 HydrophobicContact CD1-CZ2 3.54Å; F781-W906 HydrophobicContact CD1-CZ3 4.48Å; F781-W906 AromaticContact CE1-CH2 3.87Å; F781-W906 HydrophobicContact CE1-CH2 3.87Å; F781-W906 AromaticContact CE1-CZ2 3.62Å; F781-W906 HydrophobicContact CE1-CZ2 3.62Å; L795-W906 HydrophobicContact CB-CB 3.79Å; L795-W906 HydrophobicContact CB-CD2 4.4Å; L795-W906 HydrophobicContact CB-CG 4.1Å; L795-W906 HydrophobicContact CD1-CD2 4.49Å; L795-W906 HydrophobicContact CD1-CG 4.37Å; L795-W906 HydrophobicContact CD2-CE3 4.25Å; S796-W906 VanDerWaalsContact CA-O 3.29Å; S796-W906 WeakPolarHBondContact CA-O 3.28Å; S796-W906 WeakPolarHBondContact CB-O 3.44Å; F858-W906 HydrophobicContact CE1-CE3 4.33Å; F858-W906 AromaticContact CE1-CH2 3.8Å; F858-W906 HydrophobicContact CE1-CH2 3.8Å; F858-W906 AromaticContact CE1-CZ3 3.44Å; F858-W906 HydrophobicContact CE1-CZ3 3.44Å; F858-W906 VanDerWaalsContact CE1-CZ3 3.44Å; F858-W906 AromaticContact CZ-CH2 3.69Å; F858-W906 HydrophobicContact CZ-CH2 3.69Å; F858-W906 AromaticContact CZ-CZ3 3.6Å; F858-W906 HydrophobicContact CZ-CZ3 3.6Å; E903-W906 WeakPolarHBondContact O-CH2 3.11Å; E903-W906 WeakPolarHBondContact O-CZ3 3.34Å; F904-W906 HydrophobicContact CB-CE3 4.15Å; F904-W906 HydrophobicContact CB-CZ3 4.12Å; F904-W906 HydrophobicContact CD1-CE3 4.28Å; F904-W906 AromaticContact CD1-CZ3 3.79Å; F904-W906 HydrophobicContact CD1-CZ3 3.79Å; F904-W906 HydrophobicContact CG-CZ3 4.17Å; F904-W906 PolarHBondContact O-N 2.64Å; F904-W906 VanDerWaalsContact O-N 3.1Å; W906-N908 PolarHBondContact O-N 3.49Å
907	K	93.2	Very high	93.8	Very high	112 Å²	112	57.8 Å²	57.8	49%	0.487	31%	0.313	S	S	.	.			trans	-60.3	125.5	177.7	-166.8	-171.5	-173.6	-159.9	0	110	P905 E909	P905-K907 VanDerWaalsContact C-N 3.3Å; P905-K907 PolarHBondContact O-N 2.81Å; K907-E909 WeakPolarHBondContact CE-OE1 3.16Å; K907-E909 IonicContact NZ-OE1 2.57Å; K907-E909 PolarHBondContact NZ-OE1 3.15Å
908	N	95	Very high	93.8	Very high	68 Å²	68	55 Å²	55	36%	0.364	29%	0.29	S	S	.	.			trans	-136.4	97.5	177.6	-174.2	-21.7	0	0	0	110.1	S796 W906 A910 L911 D912	S796-N908 PolarHBondContact OG-N 2.9Å; S796-N908 PolarHBondContact OG-O 3.4Å; W906-N908 PolarHBondContact O-N 3.49Å; N908-A910 PolarHBondContact OD1-N 3.24Å; N908-L911 HydrophobicContact CB-CB 3.99Å; N908-L911 VanDerWaalsContact CG-CB 3.47Å; N908-L911 PolarHBondContact O-N 3.06Å; N908-L911 PolarHBondContact OD1-N 2.91Å; N908-D912 PolarHBondContact O-N 3.4Å
909	E	94.1	Very high	93.6	Very high	121 Å²	121	56.9 Å²	56.9	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-66.2	-39.6	-175	-64.1	-177.2	171	0	0	112.4	K907 L911 D912 E913	K907-E909 WeakPolarHBondContact CE-OE1 3.16Å; K907-E909 IonicContact NZ-OE1 2.57Å; K907-E909 PolarHBondContact NZ-OE1 3.15Å; E909-L911 PolarHBondContact O-N 3.24Å; E909-D912 PolarHBondContact O-N 2.98Å; E909-E913 WeakPolarHBondContact O-CG 3.42Å; E909-E913 PolarHBondContact O-N 2.48Å
910	A	93.7	Very high	93.4	Very high	58 Å²	58	58.9 Å²	58.9	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-41.4	178.2	0	0	0	0	0	111.9	N908 E913 N914	N908-A910 PolarHBondContact OD1-N 3.24Å; A910-E913 PolarHBondContact O-N 2.8Å; A910-N914 WeakPolarHBondContact O-CB 3.37Å; A910-N914 VanDerWaalsContact O-CG 3.26Å; A910-N914 PolarHBondContact O-N 3.17Å; A910-N914 VanDerWaalsContact O-N 3.07Å; A910-N914 PolarHBondContact O-ND2 3.32Å
911	L	94	Very high	93.3	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-66.4	-40.6	175.6	179.3	58.8	0	0	0	111.7	M789 Q792 W793 N908 E909 N914 M915	M789-L911 HydrophobicContact CG-CD1 3.68Å; M789-L911 HydrophobicContact SD-CD1 4.12Å; Q792-L911 HydrophobicContact CB-CD2 3.9Å; W793-L911 HydrophobicContact CB-CD2 3.94Å; W793-L911 HydrophobicContact CB-CG 4.18Å; N908-L911 HydrophobicContact CB-CB 3.99Å; N908-L911 VanDerWaalsContact CG-CB 3.47Å; N908-L911 PolarHBondContact O-N 3.06Å; N908-L911 PolarHBondContact OD1-N 2.91Å; E909-L911 PolarHBondContact O-N 3.24Å; L911-N914 PolarHBondContact O-N 3Å; L911-M915 HydrophobicContact CD1-CG 4.01Å; L911-M915 HydrophobicContact CG-CG 4.44Å; L911-M915 VanDerWaalsContact O-CB 3.31Å; L911-M915 WeakPolarHBondContact O-CB 3.46Å; L911-M915 WeakPolarHBondContact O-CG 3.2Å; L911-M915 PolarHBondContact O-N 2.65Å
912	D	94.6	Very high	93.4	Very high	20 Å²	20	55.4 Å²	55.4	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-43	176.7	-82.1	17.3	0	0	0	111.8	S796 R797 N908 E909 S916	S796-D912 WeakPolarHBondContact CB-OD1 3.24Å; S796-D912 VanDerWaalsContact OG-CG 3.28Å; S796-D912 PolarHBondContact OG-OD1 3.49Å; S796-D912 PolarHBondContact OG-OD2 3.07Å; R797-D912 WeakPolarHBondContact CD-OD2 3.24Å; R797-D912 IonicContact CZ-OD2 2.69Å; R797-D912 IonicContact NE-OD2 3.98Å; R797-D912 IonicContact NH1-OD2 2.91Å; R797-D912 PolarHBondContact NH1-OD2 2.56Å; N908-D912 PolarHBondContact O-N 3.4Å; E909-D912 PolarHBondContact O-N 2.98Å; D912-S916 VanDerWaalsContact O-CB 3.26Å; D912-S916 WeakPolarHBondContact O-CB 3.24Å; D912-S916 PolarHBondContact O-N 2.71Å
913	E	93.7	Very high	93.4	Very high	140 Å²	140	55.9 Å²	55.9	65%	0.654	29%	0.292	S	S	*	.	H	α-helix	trans	-63	-48.1	175.9	-76	-175.1	175.1	0	0	111.9	E909 A910 M915 S916 F917	E909-E913 WeakPolarHBondContact O-CG 3.42Å; E909-E913 PolarHBondContact O-N 2.48Å; A910-E913 PolarHBondContact O-N 2.8Å; E913-M915 PolarHBondContact O-N 3.24Å; E913-S916 WeakPolarHBondContact O-CB 3.26Å; E913-S916 PolarHBondContact O-N 3.21Å; E913-F917 PolarHBondContact O-N 3.39Å
914	N	92.5	Very high	93.4	Very high	52 Å²	52	53 Å²	53	28%	0.278	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-42.9	179	-72.5	-16.2	0	0	0	111.8	A910 L911 F917 L918 F954	A910-N914 WeakPolarHBondContact O-CB 3.37Å; A910-N914 VanDerWaalsContact O-CG 3.26Å; A910-N914 PolarHBondContact O-N 3.17Å; A910-N914 VanDerWaalsContact O-N 3.07Å; A910-N914 PolarHBondContact O-ND2 3.32Å; L911-N914 PolarHBondContact O-N 3Å; N914-F917 PolarHBondContact O-N 2.88Å; N914-L918 PolarHBondContact O-N 2.82Å; N914-F954 HydrophobicContact CB-CD1 4.02Å; N914-F954 HydrophobicContact CB-CD2 4.04Å; N914-F954 HydrophobicContact CB-CE1 3.7Å; N914-F954 HydrophobicContact CB-CE2 3.68Å; N914-F954 HydrophobicContact CB-CG 4.21Å; N914-F954 HydrophobicContact CB-CZ 3.53Å; N914-F954 VanDerWaalsContact O-CE1 3.31Å; N914-F954 WeakPolarHBondContact O-CE1 3.49Å
915	M	94.1	Very high	93.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-37.3	175.1	-78.3	-66.8	-66.6	0	0	112.3	M789 W793 L911 E913 F917 L918 L919 F954	M789-M915 HydrophobicContact CE-SD 3.64Å; W793-M915 HydrophobicContact CB-CG 4.14Å; W793-M915 HydrophobicContact CD2-CE 3.84Å; W793-M915 HydrophobicContact CD2-CG 4.37Å; W793-M915 HydrophobicContact CE3-CE 4.11Å; W793-M915 HydrophobicContact CG-CB 4.13Å; W793-M915 HydrophobicContact CG-CE 4.07Å; W793-M915 HydrophobicContact CG-CG 3.73Å; L911-M915 HydrophobicContact CD1-CG 4.01Å; L911-M915 HydrophobicContact CG-CG 4.44Å; L911-M915 VanDerWaalsContact O-CB 3.31Å; L911-M915 WeakPolarHBondContact O-CB 3.46Å; L911-M915 WeakPolarHBondContact O-CG 3.2Å; L911-M915 PolarHBondContact O-N 2.65Å; E913-M915 PolarHBondContact O-N 3.24Å; M915-F917 VanDerWaalsContact C-N 3.31Å; M915-F917 PolarHBondContact O-N 3.23Å; M915-L918 PolarHBondContact O-N 2.99Å; M915-L918 HydrophobicContact SD-CD1 4.36Å; M915-L919 WeakPolarHBondContact O-CB 3.33Å; M915-L919 VanDerWaalsContact O-CG 3.25Å; M915-L919 WeakPolarHBondContact O-CG 3.27Å; M915-L919 PolarHBondContact O-N 2.79Å; M915-F954 HydrophobicContact CG-CZ 4.46Å; M915-F954 HydrophobicContact SD-CZ 4.27Å
916	S	93.6	Very high	93.1	Very high	78 Å²	78	53.5 Å²	53.5	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-42.7	173.9	-174.9	0	0	0	0	111.3	D912 E913 L919 S920	D912-S916 VanDerWaalsContact O-CB 3.26Å; D912-S916 WeakPolarHBondContact O-CB 3.24Å; D912-S916 PolarHBondContact O-N 2.71Å; E913-S916 WeakPolarHBondContact O-CB 3.26Å; E913-S916 PolarHBondContact O-N 3.21Å; S916-L919 PolarHBondContact O-N 2.67Å; S916-S920 PolarHBondContact O-N 2.81Å
917	F	92.6	Very high	92.9	Very high	23 Å²	23	53.6 Å²	53.6	10%	0.101	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-48	173.8	178.8	-125.6	0	0	0	111.9	E913 N914 M915 L919 S920 I921 D951 L955 L987 R990 C991	E913-F917 PolarHBondContact O-N 3.39Å; N914-F917 PolarHBondContact O-N 2.88Å; M915-F917 VanDerWaalsContact C-N 3.31Å; M915-F917 PolarHBondContact O-N 3.23Å; F917-L919 VanDerWaalsContact C-N 3.34Å; F917-L919 PolarHBondContact O-N 3.39Å; F917-S920 WeakPolarHBondContact O-CB 3.46Å; F917-S920 PolarHBondContact O-N 3.37Å; F917-S920 VanDerWaalsContact O-N 3.13Å; F917-S920 PolarHBondContact O-OG 2.97Å; F917-I921 HydrophobicContact CE1-CD1 4.22Å; F917-I921 HydrophobicContact CZ-CD1 4.21Å; F917-I921 PolarHBondContact O-N 3.21Å; F917-D951 HydrophobicContact CE1-CB 4.19Å; F917-L955 HydrophobicContact CD1-CD1 4.26Å; F917-L955 HydrophobicContact CE1-CD1 3.7Å; F917-L987 HydrophobicContact CE2-CD2 4.39Å; F917-R990 HydrophobicContact CZ-CB 4.43Å; F917-C991 HydrophobicContact CE2-CB 4.18Å; F917-C991 HydrophobicContact CZ-CB 3.76Å
918	L	93.4	Very high	92.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-46.8	174.5	-177.7	157.1	0	0	0	112.1	N914 M915 S920 I921 V922 F954 L955 C958 I961 I962 L965	N914-L918 PolarHBondContact O-N 2.82Å; M915-L918 PolarHBondContact O-N 2.99Å; M915-L918 HydrophobicContact SD-CD1 4.36Å; L918-S920 VanDerWaalsContact C-N 3.27Å; L918-S920 PolarHBondContact O-N 3.23Å; L918-I921 WeakPolarHBondContact O-CB 3.4Å; L918-I921 PolarHBondContact O-N 3.48Å; L918-I921 VanDerWaalsContact O-N 3.14Å; L918-V922 HydrophobicContact CD2-CG2 3.99Å; L918-V922 PolarHBondContact O-N 3.4Å; L918-F954 HydrophobicContact CB-CE1 4.23Å; L918-F954 HydrophobicContact CD1-CE1 4.27Å; L918-F954 HydrophobicContact CD1-CZ 4.49Å; L918-L955 HydrophobicContact CB-CD2 4.04Å; L918-L955 HydrophobicContact CD1-CD2 4.14Å; L918-L955 HydrophobicContact CG-CD2 4.13Å; L918-C958 HydrophobicContact CD1-CB 3.44Å; L918-C958 VanDerWaalsContact CD1-CB 3.44Å; L918-I961 HydrophobicContact CD1-CG2 4.45Å; L918-I961 HydrophobicContact CD2-CG2 4.21Å; L918-I962 HydrophobicContact CD1-CD1 4.21Å; L918-I962 HydrophobicContact CD1-CG1 3.83Å; L918-I962 HydrophobicContact CD2-CG1 4.09Å; L918-I962 HydrophobicContact CG-CD1 4.23Å; L918-I962 HydrophobicContact CG-CG1 3.74Å; L918-L965 HydrophobicContact CD2-CD1 4.44Å
919	L	93	Very high	92.5	Very high	45 Å²	45	46.1 Å²	46.1	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-30.1	-180	-70.2	174.2	0	0	0	112.1	W793 V832 M915 S916 F917 I921 V922 K923 L965	W793-L919 HydrophobicContact CZ2-CD1 4.07Å; V832-L919 HydrophobicContact CG1-CD2 4.1Å; V832-L919 HydrophobicContact CG2-CD1 4.14Å; V832-L919 HydrophobicContact CG2-CD2 3.61Å; M915-L919 WeakPolarHBondContact O-CB 3.33Å; M915-L919 VanDerWaalsContact O-CG 3.25Å; M915-L919 WeakPolarHBondContact O-CG 3.27Å; M915-L919 PolarHBondContact O-N 2.79Å; S916-L919 PolarHBondContact O-N 2.67Å; F917-L919 VanDerWaalsContact C-N 3.34Å; F917-L919 PolarHBondContact O-N 3.39Å; L919-I921 VanDerWaalsContact C-N 3.35Å; L919-V922 PolarHBondContact O-N 3.41Å; L919-K923 WeakPolarHBondContact O-CB 3.3Å; L919-K923 PolarHBondContact O-N 2.87Å; L919-L965 HydrophobicContact CD2-CD1 3.95Å
920	S	93.3	Very high	92.2	Very high	42 Å²	42	45.1 Å²	45.1	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-37.9	172.7	80.1	0	0	0	0	112.2	S916 F917 L918 K923 C924	S916-S920 PolarHBondContact O-N 2.81Å; F917-S920 WeakPolarHBondContact O-CB 3.46Å; F917-S920 PolarHBondContact O-N 3.37Å; F917-S920 VanDerWaalsContact O-N 3.13Å; F917-S920 PolarHBondContact O-OG 2.97Å; L918-S920 VanDerWaalsContact C-N 3.27Å; L918-S920 PolarHBondContact O-N 3.23Å; S920-K923 PolarHBondContact O-N 3.38Å; S920-C924 WeakPolarHBondContact O-CB 3.47Å; S920-C924 PolarHBondContact O-N 3.22Å
921	I	92.7	Very high	92	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-51.3	172	-62.3	167.6	0	0	0	109.8	F917 L918 L919 K923 C924 V925 L944 L955 L987 I993	F917-I921 HydrophobicContact CE1-CD1 4.22Å; F917-I921 HydrophobicContact CZ-CD1 4.21Å; F917-I921 PolarHBondContact O-N 3.21Å; L918-I921 WeakPolarHBondContact O-CB 3.4Å; L918-I921 PolarHBondContact O-N 3.48Å; L918-I921 VanDerWaalsContact O-N 3.14Å; L919-I921 VanDerWaalsContact C-N 3.35Å; I921-K923 VanDerWaalsContact C-N 3.31Å; I921-K923 PolarHBondContact O-N 2.73Å; I921-C924 PolarHBondContact O-N 3.33Å; I921-V925 HydrophobicContact CG2-CG2 4.4Å; I921-V925 WeakPolarHBondContact O-CG2 3.48Å; I921-V925 PolarHBondContact O-N 2.66Å; I921-L944 HydrophobicContact CD1-CD1 4.36Å; I921-L944 HydrophobicContact CG2-CD1 4.21Å; I921-L944 HydrophobicContact CG2-CD2 3.73Å; I921-L955 HydrophobicContact CD1-CD1 3.79Å; I921-L955 HydrophobicContact CD1-CD2 4.06Å; I921-L987 HydrophobicContact CB-CD2 4.28Å; I921-L987 HydrophobicContact CG1-CD2 3.48Å; I921-L987 VanDerWaalsContact CG1-CD2 3.48Å; I921-I993 HydrophobicContact CG2-CD1 4.02Å; I921-I993 HydrophobicContact CG2-CG1 4.32Å
922	V	92.6	Very high	91.7	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-45.1	178.4	169.8	0	0	0	0	111.5	L918 L919 V925 R926 I962 L965	L918-V922 HydrophobicContact CD2-CG2 3.99Å; L918-V922 PolarHBondContact O-N 3.4Å; L919-V922 PolarHBondContact O-N 3.41Å; V922-V925 PolarHBondContact O-N 2.92Å; V922-R926 HydrophobicContact CG1-CG 4.42Å; V922-R926 WeakPolarHBondContact O-CB 3.27Å; V922-R926 WeakPolarHBondContact O-CG 3.48Å; V922-R926 PolarHBondContact O-N 3.48Å; V922-I962 HydrophobicContact CG2-CG2 4.48Å; V922-L965 HydrophobicContact CB-CB 4.47Å; V922-L965 HydrophobicContact CG1-CB 3.69Å; V922-L965 HydrophobicContact CG2-CB 3.91Å; V922-L965 HydrophobicContact CG2-CD1 4.41Å
923	K	92.1	Very high	91.3	Very high	164 Å²	164	57.9 Å²	57.9	71%	0.713	30%	0.299	S	S	*	.	H	α-helix	trans	-61.5	-44.6	179	-175.3	179.3	178.8	-179.1	0	111.4	L919 S920 I921 R926 S927	L919-K923 WeakPolarHBondContact O-CB 3.3Å; L919-K923 PolarHBondContact O-N 2.87Å; S920-K923 PolarHBondContact O-N 3.38Å; I921-K923 VanDerWaalsContact C-N 3.31Å; I921-K923 PolarHBondContact O-N 2.73Å; K923-R926 PolarHBondContact O-N 3.32Å; K923-S927 PolarHBondContact O-N 3.23Å
924	C	91.8	Very high	90.8	Very high	15 Å²	15	52.2 Å²	52.2	10%	0.101	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-46.9	176.5	-174.4	0	0	0	0	111.4	S920 I921 R926 S927 L928 F985 L987 I993	S920-C924 WeakPolarHBondContact O-CB 3.47Å; S920-C924 PolarHBondContact O-N 3.22Å; I921-C924 PolarHBondContact O-N 3.33Å; C924-R926 PolarHBondContact O-N 3.05Å; C924-S927 WeakPolarHBondContact O-CB 3.49Å; C924-S927 PolarHBondContact O-N 3.4Å; C924-S927 VanDerWaalsContact O-N 3.13Å; C924-L928 WeakPolarHBondContact O-CG 3.43Å; C924-L928 PolarHBondContact O-N 2.8Å; C924-F985 VanDerWaalsContact SG-CD1 3.52Å; C924-L987 HydrophobicContact CB-CD1 3.87Å; C924-I993 HydrophobicContact CB-CD1 3.66Å
925	V	91	Very high	90.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-43.5	177.5	176.6	0	0	0	0	111.6	I921 V922 S927 L928 R929 L942 I993 L995	I921-V925 HydrophobicContact CG2-CG2 4.4Å; I921-V925 WeakPolarHBondContact O-CG2 3.48Å; I921-V925 PolarHBondContact O-N 2.66Å; V922-V925 PolarHBondContact O-N 2.92Å; V925-S927 VanDerWaalsContact C-N 3.3Å; V925-S927 PolarHBondContact O-N 2.81Å; V925-L928 PolarHBondContact O-N 3Å; V925-R929 HydrophobicContact CG1-CG 4.37Å; V925-R929 WeakPolarHBondContact O-CB 3.33Å; V925-R929 VanDerWaalsContact O-CG 3.24Å; V925-R929 WeakPolarHBondContact O-CG 3.43Å; V925-R929 PolarHBondContact O-N 2.89Å; V925-L942 HydrophobicContact CG2-CD1 3.65Å; V925-L942 HydrophobicContact CG2-CD2 3.96Å; V925-L942 HydrophobicContact CG2-CG 4.49Å; V925-I993 HydrophobicContact CG2-CD1 4.38Å; V925-I993 HydrophobicContact CG2-CG2 3.98Å; V925-L995 HydrophobicContact CG1-CD1 4.03Å
926	R	89.7	Confident	89.6	Confident	109 Å²	109	59.2 Å²	59.2	41%	0.411	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-37.8	175.4	-74.4	178.1	175.7	177.2	-1.2	112.2	V922 K923 C924 T930 L965	V922-R926 HydrophobicContact CG1-CG 4.42Å; V922-R926 WeakPolarHBondContact O-CB 3.27Å; V922-R926 WeakPolarHBondContact O-CG 3.48Å; V922-R926 PolarHBondContact O-N 3.48Å; K923-R926 PolarHBondContact O-N 3.32Å; C924-R926 PolarHBondContact O-N 3.05Å; R926-T930 PolarHBondContact O-N 2.95Å; R926-T930 VanDerWaalsContact O-N 3.11Å; R926-T930 PolarHBondContact O-OG1 3.34Å; R926-L965 PolarHBondContact NE-O 3.17Å; R926-L965 PolarHBondContact NH2-O 3.46Å
927	S	90.5	Very high	88.9	Confident	60 Å²	60	64.7 Å²	64.7	42%	0.42	33%	0.332	S	S	.	.	H	α-helix	trans	-63.4	-52.1	174.1	-164.5	0	0	0	0	111	K923 C924 V925 R929 T930 D931	K923-S927 PolarHBondContact O-N 3.23Å; C924-S927 WeakPolarHBondContact O-CB 3.49Å; C924-S927 PolarHBondContact O-N 3.4Å; C924-S927 VanDerWaalsContact O-N 3.13Å; V925-S927 VanDerWaalsContact C-N 3.3Å; V925-S927 PolarHBondContact O-N 2.81Å; S927-R929 VanDerWaalsContact C-N 3.27Å; S927-R929 PolarHBondContact O-N 2.98Å; S927-T930 CarbonylContact O-C 3.59Å; S927-T930 WeakPolarHBondContact O-CA 3.3Å; S927-T930 VanDerWaalsContact O-CB 3.29Å; S927-T930 WeakPolarHBondContact O-CB 3.46Å; S927-T930 PolarHBondContact O-N 2.84Å; S927-D931 PolarHBondContact O-N 3.25Å
928	L	89.5	Confident	88.5	Confident	10 Å²	10	66.5 Å²	66.5	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-56.7	-42.4	177.7	-70.4	170.4	0	0	0	111.6	C924 V925 T930 D931 Y932 F985 I993 L995	C924-L928 WeakPolarHBondContact O-CG 3.43Å; C924-L928 PolarHBondContact O-N 2.8Å; V925-L928 PolarHBondContact O-N 3Å; L928-T930 PolarHBondContact O-N 2.8Å; L928-D931 PolarHBondContact O-N 2.79Å; L928-Y932 HydrophobicContact CD2-CE2 4.26Å; L928-Y932 WeakPolarHBondContact O-CD2 3.42Å; L928-Y932 PolarHBondContact O-N 2.94Å; L928-F985 HydrophobicContact CD1-CB 3.9Å; L928-F985 HydrophobicContact CD1-CG 4.45Å; L928-F985 HydrophobicContact CD2-CB 4.23Å; L928-F985 HydrophobicContact CD2-CD2 3.93Å; L928-F985 HydrophobicContact CD2-CG 4.22Å; L928-I993 HydrophobicContact CD1-CG2 4.18Å; L928-L995 HydrophobicContact CB-CD2 4.16Å
929	R	90.2	Very high	87.9	Confident	13 Å²	13	72.5 Å²	72.5	5%	0.049	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-34.9	175.2	-72.4	176.4	62.4	80.6	9.4	112.5	V925 S927 D933 L934 T935 T938 T940 S966 L995	V925-R929 HydrophobicContact CG1-CG 4.37Å; V925-R929 WeakPolarHBondContact O-CB 3.33Å; V925-R929 VanDerWaalsContact O-CG 3.24Å; V925-R929 WeakPolarHBondContact O-CG 3.43Å; V925-R929 PolarHBondContact O-N 2.89Å; S927-R929 VanDerWaalsContact C-N 3.27Å; S927-R929 PolarHBondContact O-N 2.98Å; R929-D933 PolarHBondContact O-N 3.17Å; R929-L934 HydrophobicContact CB-CB 4.08Å; R929-L934 HydrophobicContact CB-CD1 4.42Å; R929-L934 HydrophobicContact CG-CB 4.33Å; R929-L934 HydrophobicContact CG-CD1 4.03Å; R929-L934 PolarHBondContact NH2-O 2.8Å; R929-L934 WeakPolarHBondContact O-CB 3.14Å; R929-L934 PolarHBondContact O-N 3.32Å; R929-T935 PolarHBondContact NH2-O 3.17Å; R929-T938 VanDerWaalsContact CZ-O 3.31Å; R929-T938 PolarHBondContact NH1-O 3.05Å; R929-T938 PolarHBondContact NH2-O 3.16Å; R929-T940 PolarHBondContact NH1-OG1 2.97Å; R929-S966 WeakPolarHBondContact CD-O 3.33Å; R929-L995 HydrophobicContact CG-CD2 3.99Å
930	T	88.1	Confident	87.6	Confident	100 Å²	100	70.8 Å²	70.8	61%	0.613	36%	0.362	S	S	*	.	H	α-helix	trans	-71.5	-43.7	174.8	-52.5	0	0	0	0	110.8	R926 S927 L928 Y932 D933	R926-T930 PolarHBondContact O-N 2.95Å; R926-T930 VanDerWaalsContact O-N 3.11Å; R926-T930 PolarHBondContact O-OG1 3.34Å; S927-T930 CarbonylContact O-C 3.59Å; S927-T930 WeakPolarHBondContact O-CA 3.3Å; S927-T930 VanDerWaalsContact O-CB 3.29Å; S927-T930 WeakPolarHBondContact O-CB 3.46Å; S927-T930 PolarHBondContact O-N 2.84Å; L928-T930 PolarHBondContact O-N 2.8Å; T930-Y932 PolarHBondContact O-N 2.92Å; T930-D933 PolarHBondContact O-N 2.71Å
931	D	88.5	Confident	87.4	Confident	112 Å²	112	73.3 Å²	73.3	60%	0.599	37%	0.368	S	S	*	.	H	α-helix	trans	-63.1	-30.8	179.9	-63	-28.8	0	0	0	112.7	S927 L928	S927-D931 PolarHBondContact O-N 3.25Å; L928-D931 PolarHBondContact O-N 2.79Å
932	Y	87.5	Confident	87.3	Confident	102 Å²	102	73.3 Å²	73.3	40%	0.4	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	14.1	175.5	-67.5	-68.9	0	0	0	113.9	L928 T930 L934 A983 L997	L928-Y932 HydrophobicContact CD2-CE2 4.26Å; L928-Y932 WeakPolarHBondContact O-CD2 3.42Å; L928-Y932 PolarHBondContact O-N 2.94Å; T930-Y932 PolarHBondContact O-N 2.92Å; Y932-L934 PolarHBondContact O-N 3.19Å; Y932-L934 VanDerWaalsContact O-N 3.08Å; Y932-A983 HydrophobicContact CD2-CB 4.4Å; Y932-A983 HydrophobicContact CE2-CB 3.47Å; Y932-A983 VanDerWaalsContact CE2-CB 3.47Å; Y932-A983 WeakPolarHBondContact OH-CB 3.38Å; Y932-L997 HydrophobicContact CD1-CD1 3.95Å; Y932-L997 HydrophobicContact CD2-CD1 4.38Å; Y932-L997 HydrophobicContact CD2-CD2 4.26Å; Y932-L997 HydrophobicContact CE1-CD1 3.88Å; Y932-L997 HydrophobicContact CE2-CD1 4.34Å; Y932-L997 HydrophobicContact CG-CD1 4.21Å; Y932-L997 HydrophobicContact CG-CD2 4.22Å
933	D	86.1	Confident	87.2	Confident	147 Å²	147	74 Å²	74	79%	0.786	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	31.1	179	-72	-48.3	0	0	0	114.5	R929 T930 T935	R929-D933 PolarHBondContact O-N 3.17Å; T930-D933 PolarHBondContact O-N 2.71Å; D933-T935 PolarHBondContact O-N 2.85Å
934	L	84.4	Confident	87.2	Confident	21 Å²	21	66.2 Å²	66.2	11%	0.11	34%	0.337	C	S	.	.			trans	-77.8	103	-179.7	-67.2	175.9	0	0	0	111.4	R929 Y932 T938 T940 L995 L997 I1000	R929-L934 HydrophobicContact CB-CB 4.08Å; R929-L934 HydrophobicContact CB-CD1 4.42Å; R929-L934 HydrophobicContact CG-CB 4.33Å; R929-L934 HydrophobicContact CG-CD1 4.03Å; R929-L934 PolarHBondContact NH2-O 2.8Å; R929-L934 WeakPolarHBondContact O-CB 3.14Å; R929-L934 PolarHBondContact O-N 3.32Å; Y932-L934 PolarHBondContact O-N 3.19Å; Y932-L934 VanDerWaalsContact O-N 3.08Å; L934-T938 HydrophobicContact CD2-CG2 4.17Å; L934-T940 HydrophobicContact CD1-CG2 3.8Å; L934-T940 HydrophobicContact CD2-CG2 4.48Å; L934-L995 HydrophobicContact CD1-CD2 4.07Å; L934-L997 HydrophobicContact CD1-CD2 3.87Å; L934-I1000 HydrophobicContact CD2-CD1 3.98Å; L934-I1000 HydrophobicContact CD2-CG1 4.3Å
935	T	83.9	Confident	87.1	Confident	82 Å²	82	67.1 Å²	67.1	50%	0.503	34%	0.343	S	S	.	.			trans	-59.2	156.2	177.4	77.3	0	0	0	0	112.8	R929 D933 K937 T938	R929-T935 PolarHBondContact NH2-O 3.17Å; D933-T935 PolarHBondContact O-N 2.85Å; T935-K937 PolarHBondContact O-N 3.29Å; T935-K937 PolarHBondContact OG1-N 3.45Å; T935-T938 PolarHBondContact O-N 2.96Å; T935-T938 PolarHBondContact OG1-OG1 3.09Å
936	T	77.8	Confident	87.1	Confident	116 Å²	116	67.5 Å²	67.5	71%	0.712	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.9	175.9	38	0	0	0	0	114.4	N967	T936-N967 WeakPolarHBondContact CA-ND2 3.23Å; T936-N967 PolarHBondContact O-ND2 3.21Å
937	K	78.5	Confident	86.9	Confident	193 Å²	193	72.5 Å²	72.5	84%	0.839	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-24.8	173.4	-64.6	-174.1	178.9	-176.2	0	112.6	T935 K939	T935-K937 PolarHBondContact O-N 3.29Å; T935-K937 PolarHBondContact OG1-N 3.45Å; K937-K939 PolarHBondContact O-N 3.23Å
938	T	83	Confident	86.8	Confident	62 Å²	62	73.1 Å²	73.1	38%	0.38	36%	0.363	S	S	.	.			trans	-86.2	95.7	-178.6	-46.2	0	0	0	0	109.4	R929 L934 T935	R929-T938 VanDerWaalsContact CZ-O 3.31Å; R929-T938 PolarHBondContact NH1-O 3.05Å; R929-T938 PolarHBondContact NH2-O 3.16Å; L934-T938 HydrophobicContact CD2-CG2 4.17Å; T935-T938 PolarHBondContact O-N 2.96Å; T935-T938 PolarHBondContact OG1-OG1 3.09Å
939	K	82.3	Confident	86.6	Confident	125 Å²	125	76 Å²	76	54%	0.543	39%	0.389	S	S	.	.			trans	-81.5	124.1	174.1	-66.4	-159.4	173.8	-166.7	0	110.1	K937	K937-K939 PolarHBondContact O-N 3.23Å
940	T	85.7	Confident	86.5	Confident	10 Å²	10	81.1 Å²	81.1	6%	0.061	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	155	-179.3	46.5	0	0	0	0	110.7	R929 L934 C968 S969 L995 L996	R929-T940 PolarHBondContact NH1-OG1 2.97Å; L934-T940 HydrophobicContact CD1-CG2 3.8Å; L934-T940 HydrophobicContact CD2-CG2 4.48Å; T940-C968 CarbonylContact O-C 3.45Å; T940-C968 WeakPolarHBondContact O-CA 3.29Å; T940-C968 WeakPolarHBondContact O-CB 3.39Å; T940-S969 PolarHBondContact O-N 3.17Å; T940-S969 PolarHBondContact O-OG 2.98Å; T940-L995 WeakPolarHBondContact OG1-CD1 3.45Å; T940-L996 WeakPolarHBondContact CG2-O 3.29Å
941	K	89.4	Confident	86.4	Confident	95 Å²	95	76.6 Å²	76.6	41%	0.413	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.7	170.6	-62.7	-172.7	177.8	178.1	0	110.3	F943 S969 S970 L996	K941-F943 HydrophobicContact CB-CE2 3.85Å; K941-F943 HydrophobicContact CB-CZ 4.25Å; K941-F943 HydrophobicContact CD-CZ 4.41Å; K941-S969 WeakPolarHBondContact CG-OG 3.41Å; K941-S970 WeakPolarHBondContact CG-OG 3.43Å; K941-L996 HydrophobicContact CB-CB 4.13Å; K941-L996 HydrophobicContact CB-CD2 4.11Å; K941-L996 HydrophobicContact CD-CD2 4.14Å; K941-L996 HydrophobicContact CG-CD2 4.38Å; K941-L996 PolarHBondContact O-N 2.76Å
942	L	90.9	Very high	86.5	Confident	0 Å²	0	73 Å²	73	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.6	179.8	176.9	64.8	0	0	0	109.2	V925 L944 I962 C968 S970 V971 D972 I993 L995	V925-L942 HydrophobicContact CG2-CD1 3.65Å; V925-L942 HydrophobicContact CG2-CD2 3.96Å; V925-L942 HydrophobicContact CG2-CG 4.49Å; L942-L944 HydrophobicContact CD1-CD2 4.06Å; L942-L944 HydrophobicContact CD2-CD2 4.19Å; L942-L944 HydrophobicContact CD2-CG 4.39Å; L942-L944 HydrophobicContact CG-CD2 4.07Å; L942-L944 HydrophobicContact CG-CG 4.24Å; L942-I962 HydrophobicContact CD2-CG2 3.74Å; L942-C968 HydrophobicContact CB-CB 4.26Å; L942-S970 PolarHBondContact N-O 3.27Å; L942-V971 HydrophobicContact CB-CG2 4.31Å; L942-V971 HydrophobicContact CD2-CG1 4.07Å; L942-V971 HydrophobicContact CD2-CG2 4.08Å; L942-V971 HydrophobicContact CG-CG1 4.37Å; L942-V971 CarbonylContact O-C 3.56Å; L942-V971 WeakPolarHBondContact O-CA 3.36Å; L942-D972 PolarHBondContact O-N 3.25Å; L942-I993 HydrophobicContact CD1-CG2 3.68Å; L942-L995 HydrophobicContact CD1-CD1 4.26Å
943	F	91.1	Very high	86.6	Confident	18 Å²	18	73.3 Å²	73.3	8%	0.079	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.1	171.8	-54.5	-97.4	0	0	0	108.9	K941 D972 A975 P979 H994 L996	K941-F943 HydrophobicContact CB-CE2 3.85Å; K941-F943 HydrophobicContact CB-CZ 4.25Å; K941-F943 HydrophobicContact CD-CZ 4.41Å; F943-D972 CarbonylContact C-O 3.41Å; F943-D972 VanDerWaalsContact CA-O 3.3Å; F943-D972 WeakPolarHBondContact CA-O 3.41Å; F943-D972 HydrophobicContact CD1-CB 3.58Å; F943-D972 HydrophobicContact CE1-CB 3.85Å; F943-D972 WeakPolarHBondContact CE1-OD2 3.26Å; F943-D972 HydrophobicContact CG-CB 4.46Å; F943-A975 HydrophobicContact CD1-CB 3.88Å; F943-A975 HydrophobicContact CE1-CB 4.46Å; F943-P979 HydrophobicContact CD2-CG 4.27Å; F943-P979 HydrophobicContact CE1-CG 3.94Å; F943-P979 HydrophobicContact CE2-CG 3.59Å; F943-P979 HydrophobicContact CZ-CG 3.41Å; F943-P979 VanDerWaalsContact CZ-CG 3.41Å; F943-H994 HydrophobicContact CB-CB 4.11Å; F943-H994 PolarHBondContact N-O 3.07Å; F943-H994 PolarHBondContact O-N 3.33Å; F943-L996 HydrophobicContact CE2-CB 4.21Å; F943-L996 HydrophobicContact CE2-CD2 4.45Å
944	L	91.3	Very high	86.8	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123	-179.2	-61.2	176.9	0	0	0	109.6	I921 L942 I946 I962 V971 D972 I973 N974 I993	I921-L944 HydrophobicContact CD1-CD1 4.36Å; I921-L944 HydrophobicContact CG2-CD1 4.21Å; I921-L944 HydrophobicContact CG2-CD2 3.73Å; L942-L944 HydrophobicContact CD1-CD2 4.06Å; L942-L944 HydrophobicContact CD2-CD2 4.19Å; L942-L944 HydrophobicContact CD2-CG 4.39Å; L942-L944 HydrophobicContact CG-CD2 4.07Å; L942-L944 HydrophobicContact CG-CG 4.24Å; L944-I946 HydrophobicContact CB-CD1 4.2Å; L944-I946 HydrophobicContact CB-CG1 4.17Å; L944-I962 HydrophobicContact CD1-CD1 4.34Å; L944-V971 HydrophobicContact CD1-CG1 3.92Å; L944-V971 HydrophobicContact CG-CG1 4.36Å; L944-D972 PolarHBondContact N-O 2.98Å; L944-I973 HydrophobicContact CD1-CG1 4.47Å; L944-N974 PolarHBondContact O-N 3.47Å; L944-I993 HydrophobicContact CD2-CB 4.44Å; L944-I993 HydrophobicContact CD2-CG1 3.79Å
945	S	90.7	Very high	87.1	Confident	33 Å²	33	66.4 Å²	66.4	23%	0.231	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115	173.7	-56.4	0	0	0	0	108.9	N974 C991 I992 H994	S945-N974 WeakPolarHBondContact CA-OD1 3.5Å; S945-C991 WeakPolarHBondContact O-CA 3.48Å; S945-I992 PolarHBondContact N-O 3.23Å; S945-I992 PolarHBondContact O-N 3.17Å; S945-H994 PolarHBondContact OG-CD2 3.14Å; S945-H994 VanDerWaalsContact OG-CD2 3.3Å; S945-H994 PolarHBondContact OG-NE2 2.74Å
946	I	89.5	Confident	87.4	Confident	9 Å²	9	65.2 Å²	65.2	5%	0.046	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134	-167.8	-50.1	-167.9	0	0	0	109.7	L944 D951 V952 L955 I973 N974	L944-I946 HydrophobicContact CB-CD1 4.2Å; L944-I946 HydrophobicContact CB-CG1 4.17Å; I946-D951 HydrophobicContact CG2-CB 3.57Å; I946-V952 HydrophobicContact CB-CG2 3.77Å; I946-V952 HydrophobicContact CG2-CG2 3.91Å; I946-L955 HydrophobicContact CD1-CB 4.37Å; I946-L955 HydrophobicContact CD1-CD1 3.14Å; I946-L955 HydrophobicContact CD1-CG 4.35Å; I946-I973 HydrophobicContact CD1-CG2 3.91Å; I946-I973 HydrophobicContact CG1-CG2 4.26Å; I946-N974 PolarHBondContact N-OD1 3.01Å; I946-N974 PolarHBondContact O-ND2 3.24Å; I946-N974 PolarHBondContact O-OD1 3.42Å
947	R	86.4	Confident	87.8	Confident	213 Å²	213	66.6 Å²	66.6	80%	0.804	33%	0.329	S	S	*	.			trans	-84.5	-40.3	-177.2	-74.5	-170.5	176.3	-179.3	-4.1	114.3	S989 R990	R947-S989 WeakPolarHBondContact CD-O 3.26Å; R947-R990 PolarHBondContact N-O 2.72Å; R947-R990 VanDerWaalsContact N-O 3.13Å
948	D	87.1	Confident	88.4	Confident	73 Å²	73	57.4 Å²	57.4	39%	0.39	29%	0.289	S	S	.	.			trans	-85.3	135.3	-174.2	-159.8	-46.6	0	0	0	110.8	D950 D951 V952	D948-D950 PolarHBondContact OD1-N 3.34Å; D948-D951 HydrophobicContact CB-CB 4.09Å; D948-V952 VanDerWaalsContact O-CG2 3.3Å; D948-V952 WeakPolarHBondContact O-CG2 3.28Å; D948-V952 PolarHBondContact O-N 3.34Å; D948-V952 VanDerWaalsContact O-N 3.16Å
949	A	87	Confident	88.7	Confident	72 Å²	72	56.3 Å²	56.3	60%	0.595	28%	0.282	S	S	*	.	H	α-helix	trans	-68.5	-35.4	-180	0	0	0	0	0	112	D951 V952 E953	A949-D951 VanDerWaalsContact C-N 3.34Å; A949-V952 WeakPolarHBondContact O-CB 3.47Å; A949-V952 PolarHBondContact O-N 3.09Å; A949-E953 PolarHBondContact O-N 3.39Å
950	D	86.6	Confident	88.9	Confident	120 Å²	120	56.5 Å²	56.5	64%	0.642	29%	0.29	S	S	*	.	H	α-helix	trans	-67.5	-39.8	179.7	-69	-13.9	0	0	0	110.4	D948 V952 E953 F954	D948-D950 PolarHBondContact OD1-N 3.34Å; D950-V952 VanDerWaalsContact C-N 3.35Å; D950-V952 PolarHBondContact O-N 2.72Å; D950-E953 PolarHBondContact O-N 2.7Å; D950-F954 WeakPolarHBondContact O-CB 3.48Å; D950-F954 PolarHBondContact O-N 3.24Å
951	D	87.5	Confident	89.1	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-39.1	174.8	-73.9	-22.7	0	0	0	111.6	F917 I946 D948 A949 L955 R990	F917-D951 HydrophobicContact CE1-CB 4.19Å; I946-D951 HydrophobicContact CG2-CB 3.57Å; D948-D951 HydrophobicContact CB-CB 4.09Å; A949-D951 VanDerWaalsContact C-N 3.34Å; D951-L955 VanDerWaalsContact O-CB 3.29Å; D951-L955 WeakPolarHBondContact O-CB 3.44Å; D951-L955 VanDerWaalsContact O-CG 3.32Å; D951-L955 WeakPolarHBondContact O-CG 3.47Å; D951-L955 PolarHBondContact O-N 3.07Å; D951-R990 IonicContact OD1-CZ 3.4Å; D951-R990 IonicContact OD1-NH2 3.06Å; D951-R990 PolarHBondContact OD1-NH2 2.85Å; D951-R990 IonicContact OD2-CZ 3.21Å; D951-R990 VanDerWaalsContact OD2-CZ 3.31Å; D951-R990 IonicContact OD2-NE 2.9Å; D951-R990 PolarHBondContact OD2-NE 2.86Å; D951-R990 IonicContact OD2-NH2 3.8Å; D951-R990 PolarHBondContact OD2-NH2 3.48Å
952	V	89.4	Confident	89.2	Confident	35 Å²	35	52.8 Å²	52.8	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-47.2	176	170.7	0	0	0	0	110.3	I946 D948 A949 D950 S956 I973 N974	I946-V952 HydrophobicContact CB-CG2 3.77Å; I946-V952 HydrophobicContact CG2-CG2 3.91Å; D948-V952 VanDerWaalsContact O-CG2 3.3Å; D948-V952 WeakPolarHBondContact O-CG2 3.28Å; D948-V952 PolarHBondContact O-N 3.34Å; D948-V952 VanDerWaalsContact O-N 3.16Å; A949-V952 WeakPolarHBondContact O-CB 3.47Å; A949-V952 PolarHBondContact O-N 3.09Å; D950-V952 VanDerWaalsContact C-N 3.35Å; D950-V952 PolarHBondContact O-N 2.72Å; V952-S956 WeakPolarHBondContact O-CB 3.45Å; V952-S956 PolarHBondContact O-N 2.92Å; V952-S956 PolarHBondContact O-OG 2.98Å; V952-I973 HydrophobicContact CB-CG2 4.5Å; V952-I973 HydrophobicContact CG1-CG2 4.08Å; V952-I973 HydrophobicContact CG2-CG2 4.24Å; V952-N974 VanDerWaalsContact CG2-ND2 3.31Å; V952-N974 WeakPolarHBondContact CG2-ND2 3.46Å
953	E	89.7	Confident	89.1	Confident	109 Å²	109	53.9 Å²	53.9	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-46.5	179.3	-168.9	-173.1	155.3	0	0	111.1	A949 D950 S956 K957	A949-E953 PolarHBondContact O-N 3.39Å; D950-E953 PolarHBondContact O-N 2.7Å; E953-S956 PolarHBondContact O-N 3.18Å; E953-K957 WeakPolarHBondContact O-CG 3.37Å; E953-K957 PolarHBondContact O-N 3.3Å; E953-K957 WeakPolarHBondContact OE1-CE 3.41Å; E953-K957 IonicContact OE1-NZ 2.78Å; E953-K957 PolarHBondContact OE1-NZ 3.04Å
954	F	89.8	Confident	89	Confident	23 Å²	23	55.8 Å²	55.8	10%	0.101	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-53.1	178.4	172.2	-103.9	0	0	0	111.8	M789 N914 M915 L918 D950 S956 K957 C958	M789-F954 HydrophobicContact CE-CE2 4.01Å; M789-F954 HydrophobicContact CE-CZ 4.09Å; M789-F954 HydrophobicContact SD-CD2 4.22Å; M789-F954 HydrophobicContact SD-CE2 3.41Å; M789-F954 WeakPolarHBondContact SD-CE2 3.17Å; M789-F954 HydrophobicContact SD-CZ 4.11Å; N914-F954 HydrophobicContact CB-CD1 4.02Å; N914-F954 HydrophobicContact CB-CD2 4.04Å; N914-F954 HydrophobicContact CB-CE1 3.7Å; N914-F954 HydrophobicContact CB-CE2 3.68Å; N914-F954 HydrophobicContact CB-CG 4.21Å; N914-F954 HydrophobicContact CB-CZ 3.53Å; N914-F954 VanDerWaalsContact O-CE1 3.31Å; N914-F954 WeakPolarHBondContact O-CE1 3.49Å; M915-F954 HydrophobicContact CG-CZ 4.46Å; M915-F954 HydrophobicContact SD-CZ 4.27Å; L918-F954 HydrophobicContact CB-CE1 4.23Å; L918-F954 HydrophobicContact CD1-CE1 4.27Å; L918-F954 HydrophobicContact CD1-CZ 4.49Å; D950-F954 WeakPolarHBondContact O-CB 3.48Å; D950-F954 PolarHBondContact O-N 3.24Å; F954-S956 VanDerWaalsContact C-N 3.27Å; F954-S956 PolarHBondContact O-N 3.49Å; F954-K957 WeakPolarHBondContact O-CB 3.4Å; F954-K957 PolarHBondContact O-N 3.26Å; F954-K957 VanDerWaalsContact O-N 3.11Å; F954-C958 PolarHBondContact O-N 2.94Å; F954-C958 PolarHBondContact O-SG 2.82Å
955	L	91	Very high	88.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-28.7	-176.4	-69.5	167.3	0	0	0	112.1	F917 L918 I921 I946 D951 K957 C958 T959 I962 I973	F917-L955 HydrophobicContact CD1-CD1 4.26Å; F917-L955 HydrophobicContact CE1-CD1 3.7Å; L918-L955 HydrophobicContact CB-CD2 4.04Å; L918-L955 HydrophobicContact CD1-CD2 4.14Å; L918-L955 HydrophobicContact CG-CD2 4.13Å; I921-L955 HydrophobicContact CD1-CD1 3.79Å; I921-L955 HydrophobicContact CD1-CD2 4.06Å; I946-L955 HydrophobicContact CD1-CB 4.37Å; I946-L955 HydrophobicContact CD1-CD1 3.14Å; I946-L955 HydrophobicContact CD1-CG 4.35Å; D951-L955 VanDerWaalsContact O-CB 3.29Å; D951-L955 WeakPolarHBondContact O-CB 3.44Å; D951-L955 VanDerWaalsContact O-CG 3.32Å; D951-L955 WeakPolarHBondContact O-CG 3.47Å; D951-L955 PolarHBondContact O-N 3.07Å; L955-K957 VanDerWaalsContact C-N 3.26Å; L955-K957 PolarHBondContact O-N 3.37Å; L955-C958 CarbonylContact O-C 3.55Å; L955-C958 WeakPolarHBondContact O-CA 3.34Å; L955-C958 PolarHBondContact O-N 3Å; L955-T959 PolarHBondContact O-N 2.85Å; L955-I962 HydrophobicContact CD2-CD1 3.77Å; L955-I973 HydrophobicContact CB-CD1 3.48Å; L955-I973 VanDerWaalsContact CB-CD1 3.48Å; L955-I973 WeakPolarHBondContact O-CD1 3.36Å
956	S	89.9	Confident	88.9	Confident	58 Å²	58	54.3 Å²	54.3	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-34.3	173.7	-63.3	0	0	0	0	111.9	V952 E953 F954 C958 T959 I973	V952-S956 WeakPolarHBondContact O-CB 3.45Å; V952-S956 PolarHBondContact O-N 2.92Å; V952-S956 PolarHBondContact O-OG 2.98Å; E953-S956 PolarHBondContact O-N 3.18Å; F954-S956 VanDerWaalsContact C-N 3.27Å; F954-S956 PolarHBondContact O-N 3.49Å; S956-C958 PolarHBondContact O-N 2.8Å; S956-T959 PolarHBondContact O-OG1 2.66Å; S956-I973 VanDerWaalsContact N-CD1 3.27Å
957	K	87.9	Confident	88.7	Confident	145 Å²	145	55.8 Å²	55.8	63%	0.63	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.9	173.2	-64.8	170	-173.2	167.8	0	113	E953 F954 L955	E953-K957 WeakPolarHBondContact O-CG 3.37Å; E953-K957 PolarHBondContact O-N 3.3Å; E953-K957 WeakPolarHBondContact OE1-CE 3.41Å; E953-K957 IonicContact OE1-NZ 2.78Å; E953-K957 PolarHBondContact OE1-NZ 3.04Å; F954-K957 WeakPolarHBondContact O-CB 3.4Å; F954-K957 PolarHBondContact O-N 3.26Å; F954-K957 VanDerWaalsContact O-N 3.11Å; L955-K957 VanDerWaalsContact C-N 3.26Å; L955-K957 PolarHBondContact O-N 3.37Å
958	C	90.1	Very high	88.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	11.5	-171.1	-54.3	0	0	0	0	114	M789 L918 F954 L955 S956 D960 I961 I962	M789-C958 HydrophobicContact CE-CB 4.44Å; M789-C958 WeakPolarHBondContact CE-SG 3.38Å; M789-C958 VanDerWaalsContact SD-SG 3.66Å; L918-C958 HydrophobicContact CD1-CB 3.44Å; L918-C958 VanDerWaalsContact CD1-CB 3.44Å; F954-C958 PolarHBondContact O-N 2.94Å; F954-C958 PolarHBondContact O-SG 2.82Å; L955-C958 CarbonylContact O-C 3.55Å; L955-C958 WeakPolarHBondContact O-CA 3.34Å; L955-C958 PolarHBondContact O-N 3Å; S956-C958 PolarHBondContact O-N 2.8Å; C958-D960 VanDerWaalsContact C-N 3.27Å; C958-D960 PolarHBondContact O-N 2.87Å; C958-I961 HydrophobicContact CB-CD1 4.19Å; C958-I961 WeakPolarHBondContact O-CB 3.3Å; C958-I961 PolarHBondContact O-N 2.91Å; C958-I961 VanDerWaalsContact O-N 3.08Å; C958-I962 WeakPolarHBondContact O-CG1 3.44Å; C958-I962 PolarHBondContact O-N 2.83Å
959	T	89.4	Confident	88.8	Confident	38 Å²	38	45 Å²	45	23%	0.233	25%	0.254	C	S	.	.	H	α-helix	trans	-56.3	-40.1	-177.4	44.4	0	0	0	0	112.6	L955 S956 I962 S963 V971 I973	L955-T959 PolarHBondContact O-N 2.85Å; S956-T959 PolarHBondContact O-OG1 2.66Å; T959-I962 PolarHBondContact O-N 3.34Å; T959-S963 WeakPolarHBondContact O-CB 3.42Å; T959-S963 PolarHBondContact O-N 3.37Å; T959-V971 HydrophobicContact CG2-CB 4.3Å; T959-V971 HydrophobicContact CG2-CG1 4.37Å; T959-I973 HydrophobicContact CG2-CD1 4.05Å; T959-I973 HydrophobicContact CG2-CG1 4.41Å
960	D	86.7	Confident	88.8	Confident	130 Å²	130	43.3 Å²	43.3	70%	0.695	24%	0.238	S	C	*	.	H	α-helix	trans	-62.3	-43.9	175.9	-69	-27.1	0	0	0	112.1	C958 S963 V964	C958-D960 VanDerWaalsContact C-N 3.27Å; C958-D960 PolarHBondContact O-N 2.87Å; D960-S963 PolarHBondContact O-N 3.31Å; D960-V964 VanDerWaalsContact O-CG2 3.29Å; D960-V964 WeakPolarHBondContact O-CG2 3.21Å; D960-V964 PolarHBondContact O-N 2.83Å
961	I	89.1	Confident	89	Confident	27 Å²	27	38.3 Å²	38.3	14%	0.138	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-46.2	178.1	-63.5	160.6	0	0	0	109.8	M789 V790 L918 C958 S963 V964 L965	M789-I961 HydrophobicContact CE-CD1 3.78Å; V790-I961 HydrophobicContact CG2-CD1 3.33Å; V790-I961 HydrophobicContact CG2-CG1 3.95Å; L918-I961 HydrophobicContact CD1-CG2 4.45Å; L918-I961 HydrophobicContact CD2-CG2 4.21Å; C958-I961 HydrophobicContact CB-CD1 4.19Å; C958-I961 WeakPolarHBondContact O-CB 3.3Å; C958-I961 PolarHBondContact O-N 2.91Å; C958-I961 VanDerWaalsContact O-N 3.08Å; I961-S963 VanDerWaalsContact C-N 3.35Å; I961-S963 PolarHBondContact O-N 3.08Å; I961-V964 PolarHBondContact O-N 2.64Å; I961-L965 HydrophobicContact CG2-CD1 3.73Å; I961-L965 HydrophobicContact CG2-CG 4.33Å; I961-L965 WeakPolarHBondContact O-CB 3.45Å; I961-L965 WeakPolarHBondContact O-CG 3.36Å; I961-L965 PolarHBondContact O-N 3.46Å
962	I	91.3	Very high	89.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-44.9	178.3	-61.7	165.3	0	0	0	109.7	L918 V922 L942 L944 L955 C958 T959 V964 L965 S966 V971	L918-I962 HydrophobicContact CD1-CD1 4.21Å; L918-I962 HydrophobicContact CD1-CG1 3.83Å; L918-I962 HydrophobicContact CD2-CG1 4.09Å; L918-I962 HydrophobicContact CG-CD1 4.23Å; L918-I962 HydrophobicContact CG-CG1 3.74Å; V922-I962 HydrophobicContact CG2-CG2 4.48Å; L942-I962 HydrophobicContact CD2-CG2 3.74Å; L944-I962 HydrophobicContact CD1-CD1 4.34Å; L955-I962 HydrophobicContact CD2-CD1 3.77Å; C958-I962 WeakPolarHBondContact O-CG1 3.44Å; C958-I962 PolarHBondContact O-N 2.83Å; T959-I962 PolarHBondContact O-N 3.34Å; I962-V964 PolarHBondContact O-N 3.39Å; I962-L965 PolarHBondContact O-N 2.82Å; I962-S966 WeakPolarHBondContact O-CB 3.4Å; I962-S966 PolarHBondContact O-N 3.36Å; I962-S966 PolarHBondContact O-OG 3.11Å; I962-V971 HydrophobicContact CB-CG2 4.09Å; I962-V971 HydrophobicContact CD1-CG1 4.49Å; I962-V971 HydrophobicContact CG2-CG1 4.16Å; I962-V971 HydrophobicContact CG2-CG2 3.82Å
963	S	90.1	Very high	89.1	Confident	23 Å²	23	41.2 Å²	41.2	16%	0.161	23%	0.226	C	C	.	.	H	α-helix	trans	-57.7	-47.9	177.9	170.7	0	0	0	0	111.7	T959 D960 I961 N967 C968	T959-S963 WeakPolarHBondContact O-CB 3.42Å; T959-S963 PolarHBondContact O-N 3.37Å; D960-S963 PolarHBondContact O-N 3.31Å; I961-S963 VanDerWaalsContact C-N 3.35Å; I961-S963 PolarHBondContact O-N 3.08Å; S963-N967 WeakPolarHBondContact O-CA 3.22Å; S963-N967 PolarHBondContact O-N 3.43Å; S963-C968 PolarHBondContact O-N 2.99Å; S963-C968 PolarHBondContact OG-O 2.67Å
964	V	88.3	Confident	88.8	Confident	57 Å²	57	39.4 Å²	39.4	35%	0.345	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-53	179.1	170.7	0	0	0	0	110.8	P839 D960 I961 I962 N967	P839-V964 HydrophobicContact CG-CG2 3.94Å; D960-V964 VanDerWaalsContact O-CG2 3.29Å; D960-V964 WeakPolarHBondContact O-CG2 3.21Å; D960-V964 PolarHBondContact O-N 2.83Å; I961-V964 PolarHBondContact O-N 2.64Å; I962-V964 PolarHBondContact O-N 3.39Å; V964-N967 PolarHBondContact O-N 3.48Å
965	L	90.2	Very high	87.8	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-71.1	-36.7	-174.3	-64.2	176.3	0	0	0	112.2	V832 E835 L918 L919 V922 R926 I961 I962 N967	V832-L965 HydrophobicContact CG1-CD1 4.11Å; E835-L965 HydrophobicContact CB-CD2 3.87Å; L918-L965 HydrophobicContact CD2-CD1 4.44Å; L919-L965 HydrophobicContact CD2-CD1 3.95Å; V922-L965 HydrophobicContact CB-CB 4.47Å; V922-L965 HydrophobicContact CG1-CB 3.69Å; V922-L965 HydrophobicContact CG2-CB 3.91Å; V922-L965 HydrophobicContact CG2-CD1 4.41Å; R926-L965 PolarHBondContact NE-O 3.17Å; R926-L965 PolarHBondContact NH2-O 3.46Å; I961-L965 HydrophobicContact CG2-CD1 3.73Å; I961-L965 HydrophobicContact CG2-CG 4.33Å; I961-L965 WeakPolarHBondContact O-CB 3.45Å; I961-L965 WeakPolarHBondContact O-CG 3.36Å; I961-L965 PolarHBondContact O-N 3.46Å; I962-L965 PolarHBondContact O-N 2.82Å; L965-N967 VanDerWaalsContact C-N 3.32Å
966	S	89.3	Confident	86.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-83	-9.3	178.3	67.3	0	0	0	0	113.8	R929 I962 C968	R929-S966 WeakPolarHBondContact CD-O 3.33Å; I962-S966 WeakPolarHBondContact O-CB 3.4Å; I962-S966 PolarHBondContact O-N 3.36Å; I962-S966 PolarHBondContact O-OG 3.11Å; S966-C968 VanDerWaalsContact C-N 3.28Å; S966-C968 PolarHBondContact O-N 3.12Å; S966-C968 WeakPolarHBondContact OG-CB 3.43Å; S966-C968 PolarHBondContact OG-SG 3.13Å
967	N	86.7	Confident	85.8	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.214	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	39.7	-173.5	-166.1	51.7	0	0	0	113	T936 S963 V964 L965	T936-N967 WeakPolarHBondContact CA-ND2 3.23Å; T936-N967 PolarHBondContact O-ND2 3.21Å; S963-N967 WeakPolarHBondContact O-CA 3.22Å; S963-N967 PolarHBondContact O-N 3.43Å; V964-N967 PolarHBondContact O-N 3.48Å; L965-N967 VanDerWaalsContact C-N 3.32Å
968	C	86.9	Confident	85.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	154.2	175.7	-72	0	0	0	0	110.9	T940 L942 S963 S966	T940-C968 CarbonylContact O-C 3.45Å; T940-C968 WeakPolarHBondContact O-CA 3.29Å; T940-C968 WeakPolarHBondContact O-CB 3.39Å; L942-C968 HydrophobicContact CB-CB 4.26Å; S963-C968 PolarHBondContact O-N 2.99Å; S963-C968 PolarHBondContact OG-O 2.67Å; S966-C968 VanDerWaalsContact C-N 3.28Å; S966-C968 PolarHBondContact O-N 3.12Å; S966-C968 WeakPolarHBondContact OG-CB 3.43Å; S966-C968 PolarHBondContact OG-SG 3.13Å
969	S	86.9	Confident	84.4	Confident	59 Å²	59	48.6 Å²	48.6	41%	0.413	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-36.4	178.7	53.2	0	0	0	0	113	T940 K941	T940-S969 PolarHBondContact O-N 3.17Å; T940-S969 PolarHBondContact O-OG 2.98Å; K941-S969 WeakPolarHBondContact CG-OG 3.41Å
970	S	88.5	Confident	83.8	Confident	37 Å²	37	53.5 Å²	53.5	26%	0.259	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.1	177.6	63.6	0	0	0	0	109.4	K941 L942	K941-S970 WeakPolarHBondContact CG-OG 3.43Å; L942-S970 PolarHBondContact N-O 3.27Å
971	V	90.8	Very high	83.5	Confident	15 Å²	15	49.8 Å²	49.8	9%	0.091	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.1	177.1	-176.3	0	0	0	0	107.6	L942 L944 T959 I962	L942-V971 HydrophobicContact CB-CG2 4.31Å; L942-V971 HydrophobicContact CD2-CG1 4.07Å; L942-V971 HydrophobicContact CD2-CG2 4.08Å; L942-V971 HydrophobicContact CG-CG1 4.37Å; L942-V971 CarbonylContact O-C 3.56Å; L942-V971 WeakPolarHBondContact O-CA 3.36Å; L944-V971 HydrophobicContact CD1-CG1 3.92Å; L944-V971 HydrophobicContact CG-CG1 4.36Å; T959-V971 HydrophobicContact CG2-CB 4.3Å; T959-V971 HydrophobicContact CG2-CG1 4.37Å; I962-V971 HydrophobicContact CB-CG2 4.09Å; I962-V971 HydrophobicContact CD1-CG1 4.49Å; I962-V971 HydrophobicContact CG2-CG1 4.16Å; I962-V971 HydrophobicContact CG2-CG2 3.82Å
972	D	89.9	Confident	83.2	Confident	69 Å²	69	49.7 Å²	49.7	37%	0.369	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.1	178.5	-67.4	-60.1	0	0	0	109.3	L942 F943 L944	L942-D972 PolarHBondContact O-N 3.25Å; F943-D972 CarbonylContact C-O 3.41Å; F943-D972 VanDerWaalsContact CA-O 3.3Å; F943-D972 WeakPolarHBondContact CA-O 3.41Å; F943-D972 HydrophobicContact CD1-CB 3.58Å; F943-D972 HydrophobicContact CE1-CB 3.85Å; F943-D972 WeakPolarHBondContact CE1-OD2 3.26Å; F943-D972 HydrophobicContact CG-CB 4.46Å; L944-D972 PolarHBondContact N-O 2.98Å
973	I	88.2	Confident	82.9	Confident	31 Å²	31	50 Å²	50	16%	0.159	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.8	-177.4	-56.8	-178.2	0	0	0	109	L944 I946 V952 L955 S956 T959 A975	L944-I973 HydrophobicContact CD1-CG1 4.47Å; I946-I973 HydrophobicContact CD1-CG2 3.91Å; I946-I973 HydrophobicContact CG1-CG2 4.26Å; V952-I973 HydrophobicContact CB-CG2 4.5Å; V952-I973 HydrophobicContact CG1-CG2 4.08Å; V952-I973 HydrophobicContact CG2-CG2 4.24Å; L955-I973 HydrophobicContact CB-CD1 3.48Å; L955-I973 VanDerWaalsContact CB-CD1 3.48Å; L955-I973 WeakPolarHBondContact O-CD1 3.36Å; S956-I973 VanDerWaalsContact N-CD1 3.27Å; T959-I973 HydrophobicContact CG2-CD1 4.05Å; T959-I973 HydrophobicContact CG2-CG1 4.41Å; I973-A975 VanDerWaalsContact C-N 3.34Å; I973-A975 PolarHBondContact O-N 2.88Å
974	N	83.7	Confident	82.8	Confident	72 Å²	72	53 Å²	53	39%	0.385	33%	0.33	S	S	.	.	S	Bend	trans	50.2	49.5	-178	-75.7	-11.9	0	0	0	113.4	L944 S945 I946 V952 D976	L944-N974 PolarHBondContact O-N 3.47Å; S945-N974 WeakPolarHBondContact CA-OD1 3.5Å; I946-N974 PolarHBondContact N-OD1 3.01Å; I946-N974 PolarHBondContact O-ND2 3.24Å; I946-N974 PolarHBondContact O-OD1 3.42Å; V952-N974 VanDerWaalsContact CG2-ND2 3.31Å; V952-N974 WeakPolarHBondContact CG2-ND2 3.46Å; N974-D976 PolarHBondContact O-N 3.14Å
975	A	69	Low	82.8	Confident	37 Å²	37	54.8 Å²	54.8	31%	0.306	33%	0.334	S	S	.	.			trans	-61.9	133.4	166	0	0	0	0	0	109.9	F943 I973 V977	F943-A975 HydrophobicContact CD1-CB 3.88Å; F943-A975 HydrophobicContact CE1-CB 4.46Å; I973-A975 VanDerWaalsContact C-N 3.34Å; I973-A975 PolarHBondContact O-N 2.88Å; A975-V977 PolarHBondContact O-N 3.35Å
976	D	68.7	Low	82.7	Confident	172 Å²	172	58.8 Å²	58.8	92%	0.92	36%	0.36	S	S	*	.	S	Bend	trans	-49.6	-36.8	-173.3	-74.4	-35.8	0	0	0	113.4	N974	N974-D976 PolarHBondContact O-N 3.14Å
977	V	71.2	Confident	82.6	Confident	118 Å²	118	61.2 Å²	61.2	72%	0.715	37%	0.373	S	S	*	.	S	Bend	trans	-143.8	123.6	171.1	-176.2	0	0	0	0	109.5	A975	A975-V977 PolarHBondContact O-N 3.35Å
978	P	72.3	Confident	82.5	Confident	42 Å²	42	61.6 Å²	61.6	27%	0.273	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-60.1	135.9	172.7	-19.4	30	0	0	0	110.6	H994	P978-H994 HydrophobicContact CB-CB 4.17Å
979	P	75.5	Confident	82.2	Confident	49 Å²	49	66.2 Å²	66.2	32%	0.318	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.6	150.2	-178.2	-20.9	30	0	0	0	113.2	F943 C982 L996	F943-P979 HydrophobicContact CD2-CG 4.27Å; F943-P979 HydrophobicContact CE1-CG 3.94Å; F943-P979 HydrophobicContact CE2-CG 3.59Å; F943-P979 HydrophobicContact CZ-CG 3.41Å; F943-P979 VanDerWaalsContact CZ-CG 3.41Å; P979-C982 PolarHBondContact O-SG 3.32Å; P979-L996 HydrophobicContact CB-CD1 4.14Å
980	T	76.2	Confident	82.1	Confident	141 Å²	141	68.6 Å²	68.6	87%	0.865	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	138.1	173	40	0	0	0	0	110.8
981	G	80.6	Confident	82.2	Confident	52 Å²	52	66.9 Å²	66.9	54%	0.536	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	11	-175.7	0	0	0	0	0	115.2	L997	G981-L997 PolarHBondContact O-N 2.95Å; G981-L997 VanDerWaalsContact O-N 3.12Å
982	C	83.2	Confident	82.2	Confident	25 Å²	25	69.3 Å²	69.3	17%	0.169	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.3	171.3	-64.6	0	0	0	0	112.6	P979 T984 H994 L995	P979-C982 PolarHBondContact O-SG 3.32Å; C982-T984 PolarHBondContact O-N 2.9Å; C982-H994 HydrophobicContact CB-CB 3.96Å; C982-L995 CarbonylContact C-O 3.45Å; C982-L995 VanDerWaalsContact CA-O 3.22Å; C982-L995 WeakPolarHBondContact CA-O 3.43Å
983	A	85.2	Confident	82.3	Confident	8 Å²	8	66 Å²	66	7%	0.066	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.3	159.8	0	0	0	0	0	108.9	Y932 H994 L995 L997	Y932-A983 HydrophobicContact CD2-CB 4.4Å; Y932-A983 HydrophobicContact CE2-CB 3.47Å; Y932-A983 VanDerWaalsContact CE2-CB 3.47Å; Y932-A983 WeakPolarHBondContact OH-CB 3.38Å; A983-H994 CarbonylContact O-C 3.59Å; A983-H994 WeakPolarHBondContact O-CA 3.46Å; A983-L995 PolarHBondContact N-O 3.4Å; A983-L995 PolarHBondContact O-N 3.4Å; A983-L997 HydrophobicContact CB-CD1 3.89Å; A983-L997 HydrophobicContact CB-CG 4.29Å
984	T	86.6	Confident	82.4	Confident	84 Å²	84	65.4 Å²	65.4	52%	0.515	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.9	-177.6	-59.2	0	0	0	0	110.3	C982 I992 I993 H994	C982-T984 PolarHBondContact O-N 2.9Å; T984-I992 HydrophobicContact CG2-CG2 3.59Å; T984-I993 CarbonylContact C-O 3.47Å; T984-I993 WeakPolarHBondContact CA-O 3.3Å; T984-H994 WeakPolarHBondContact CG2-CE1 3.03Å; T984-H994 VanDerWaalsContact CG2-ND1 3.32Å; T984-H994 WeakPolarHBondContact CG2-ND1 3.44Å; T984-H994 PolarHBondContact OG1-ND1 2.96Å
985	F	88.5	Confident	82.7	Confident	96 Å²	96	62 Å²	62	42%	0.421	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	120.5	-179.8	-159.4	-88	0	0	0	111.1	C924 L928 L987 I993	C924-F985 VanDerWaalsContact SG-CD1 3.52Å; L928-F985 HydrophobicContact CD1-CB 3.9Å; L928-F985 HydrophobicContact CD1-CG 4.45Å; L928-F985 HydrophobicContact CD2-CB 4.23Å; L928-F985 HydrophobicContact CD2-CD2 3.93Å; L928-F985 HydrophobicContact CD2-CG 4.22Å; F985-L987 PolarHBondContact O-N 3.33Å; F985-I993 PolarHBondContact N-O 3.43Å; F985-I993 PolarHBondContact O-N 3.17Å
986	P	88	Confident	83.5	Confident	88 Å²	88	60.7 Å²	60.7	57%	0.571	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	114.4	174.5	30	-30.2	0	0	0	109.7
987	L	87.3	Confident	84.2	Confident	50 Å²	50	54.3 Å²	54.3	26%	0.262	33%	0.325	S	S	.	.			trans	-77.6	-43.5	176.7	177.8	66.9	0	0	0	111.1	F917 I921 C924 F985 C991 I993	F917-L987 HydrophobicContact CE2-CD2 4.39Å; I921-L987 HydrophobicContact CB-CD2 4.28Å; I921-L987 HydrophobicContact CG1-CD2 3.48Å; I921-L987 VanDerWaalsContact CG1-CD2 3.48Å; C924-L987 HydrophobicContact CB-CD1 3.87Å; F985-L987 PolarHBondContact O-N 3.33Å; L987-C991 PolarHBondContact N-O 2.88Å; L987-I993 HydrophobicContact CB-CD1 4.04Å; L987-I993 HydrophobicContact CD2-CD1 4.22Å
988	S	85.4	Confident	84	Confident	49 Å²	49	55.7 Å²	55.7	34%	0.343	32%	0.323	S	S	.	.	S	Bend	trans	-157.5	-179.9	177.2	67.8	0	0	0	0	109.7	R990 C991	S988-R990 PolarHBondContact O-N 2.88Å; S988-R990 VanDerWaalsContact O-N 3.15Å; S988-R990 WeakPolarHBondContact OG-CB 3.27Å; S988-R990 PolarHBondContact OG-N 3.29Å; S988-R990 VanDerWaalsContact OG-N 3.11Å; S988-C991 PolarHBondContact N-O 2.93Å; S988-C991 PolarHBondContact O-N 3.16Å; S988-C991 PolarHBondContact OG-N 3.38Å
989	S	81.4	Confident	83.2	Confident	97 Å²	97	65.2 Å²	65.2	68%	0.678	35%	0.354	S	S	*	.	S	Bend	trans	-61.2	-17.1	169.3	53.9	0	0	0	0	113.3	R947	R947-S989 WeakPolarHBondContact CD-O 3.26Å
990	R	83.5	Confident	82.1	Confident	109 Å²	109	66.5 Å²	66.5	41%	0.411	36%	0.358	S	S	.	.	S	Bend	trans	-89.7	-30.4	-178.2	-61.3	172.2	66.2	166.4	1.8	113.4	F917 R947 D951 S988	F917-R990 HydrophobicContact CZ-CB 4.43Å; R947-R990 PolarHBondContact N-O 2.72Å; R947-R990 VanDerWaalsContact N-O 3.13Å; D951-R990 IonicContact OD1-CZ 3.4Å; D951-R990 IonicContact OD1-NH2 3.06Å; D951-R990 PolarHBondContact OD1-NH2 2.85Å; D951-R990 IonicContact OD2-CZ 3.21Å; D951-R990 VanDerWaalsContact OD2-CZ 3.31Å; D951-R990 IonicContact OD2-NE 2.9Å; D951-R990 PolarHBondContact OD2-NE 2.86Å; D951-R990 IonicContact OD2-NH2 3.8Å; D951-R990 PolarHBondContact OD2-NH2 3.48Å; S988-R990 PolarHBondContact O-N 2.88Å; S988-R990 VanDerWaalsContact O-N 3.15Å; S988-R990 WeakPolarHBondContact OG-CB 3.27Å; S988-R990 PolarHBondContact OG-N 3.29Å; S988-R990 VanDerWaalsContact OG-N 3.11Å
991	C	90.2	Very high	80.2	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	133.4	-171.2	177.3	0	0	0	0	113.4	F917 S945 L987 S988	F917-C991 HydrophobicContact CE2-CB 4.18Å; F917-C991 HydrophobicContact CZ-CB 3.76Å; S945-C991 WeakPolarHBondContact O-CA 3.48Å; L987-C991 PolarHBondContact N-O 2.88Å; S988-C991 PolarHBondContact N-O 2.93Å; S988-C991 PolarHBondContact O-N 3.16Å; S988-C991 PolarHBondContact OG-N 3.38Å
992	I	91.2	Very high	78.1	Confident	66 Å²	66	74.9 Å²	74.9	34%	0.338	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.6	170.1	-54.2	172.3	0	0	0	108.3	S945 T984	S945-I992 PolarHBondContact N-O 3.23Å; S945-I992 PolarHBondContact O-N 3.17Å; T984-I992 HydrophobicContact CG2-CG2 3.59Å
993	I	91.6	Very high	77.8	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.7	-179.4	-67	168.3	0	0	0	109.1	I921 C924 V925 L928 L942 L944 T984 F985 L987	I921-I993 HydrophobicContact CG2-CD1 4.02Å; I921-I993 HydrophobicContact CG2-CG1 4.32Å; C924-I993 HydrophobicContact CB-CD1 3.66Å; V925-I993 HydrophobicContact CG2-CD1 4.38Å; V925-I993 HydrophobicContact CG2-CG2 3.98Å; L928-I993 HydrophobicContact CD1-CG2 4.18Å; L942-I993 HydrophobicContact CD1-CG2 3.68Å; L944-I993 HydrophobicContact CD2-CB 4.44Å; L944-I993 HydrophobicContact CD2-CG1 3.79Å; T984-I993 CarbonylContact C-O 3.47Å; T984-I993 WeakPolarHBondContact CA-O 3.3Å; F985-I993 PolarHBondContact N-O 3.43Å; F985-I993 PolarHBondContact O-N 3.17Å; L987-I993 HydrophobicContact CB-CD1 4.04Å; L987-I993 HydrophobicContact CD2-CD1 4.22Å
994	H	91.1	Very high	77.4	Confident	18 Å²	18	81.1 Å²	81.1	8%	0.083	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.1	172.7	-52.1	-89.3	0	0	0	109.4	F943 S945 P978 C982 A983 T984	F943-H994 HydrophobicContact CB-CB 4.11Å; F943-H994 PolarHBondContact N-O 3.07Å; F943-H994 PolarHBondContact O-N 3.33Å; S945-H994 PolarHBondContact OG-CD2 3.14Å; S945-H994 VanDerWaalsContact OG-CD2 3.3Å; S945-H994 PolarHBondContact OG-NE2 2.74Å; P978-H994 HydrophobicContact CB-CB 4.17Å; C982-H994 HydrophobicContact CB-CB 3.96Å; A983-H994 CarbonylContact O-C 3.59Å; A983-H994 WeakPolarHBondContact O-CA 3.46Å; T984-H994 WeakPolarHBondContact CG2-CE1 3.03Å; T984-H994 VanDerWaalsContact CG2-ND1 3.32Å; T984-H994 WeakPolarHBondContact CG2-ND1 3.44Å; T984-H994 PolarHBondContact OG1-ND1 2.96Å
995	L	89.3	Confident	76.9	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.8	-179.1	-170.6	71.1	0	0	0	110.2	V925 L928 R929 L934 T940 L942 C982 A983 L997	V925-L995 HydrophobicContact CG1-CD1 4.03Å; L928-L995 HydrophobicContact CB-CD2 4.16Å; R929-L995 HydrophobicContact CG-CD2 3.99Å; L934-L995 HydrophobicContact CD1-CD2 4.07Å; T940-L995 WeakPolarHBondContact OG1-CD1 3.45Å; L942-L995 HydrophobicContact CD1-CD1 4.26Å; C982-L995 CarbonylContact C-O 3.45Å; C982-L995 VanDerWaalsContact CA-O 3.22Å; C982-L995 WeakPolarHBondContact CA-O 3.43Å; A983-L995 PolarHBondContact N-O 3.4Å; A983-L995 PolarHBondContact O-N 3.4Å; L995-L997 HydrophobicContact CD2-CD2 4.48Å; L995-L997 PolarHBondContact O-N 3.32Å
996	L	87.1	Confident	76.3	Confident	9 Å²	9	80 Å²	80	5%	0.047	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122	-178	-174.7	63.9	0	0	0	111.5	T940 K941 F943 P979 E998	T940-L996 WeakPolarHBondContact CG2-O 3.29Å; K941-L996 HydrophobicContact CB-CB 4.13Å; K941-L996 HydrophobicContact CB-CD2 4.11Å; K941-L996 HydrophobicContact CD-CD2 4.14Å; K941-L996 HydrophobicContact CG-CD2 4.38Å; K941-L996 PolarHBondContact O-N 2.76Å; F943-L996 HydrophobicContact CE2-CB 4.21Å; F943-L996 HydrophobicContact CE2-CD2 4.45Å; P979-L996 HydrophobicContact CB-CD1 4.14Å; L996-E998 HydrophobicContact CD1-CG 4.08Å; L996-E998 HydrophobicContact CD2-CB 4.42Å; L996-E998 HydrophobicContact CD2-CG 4.08Å; L996-E998 HydrophobicContact CG-CB 4.25Å; L996-E998 HydrophobicContact CG-CG 4.01Å
997	L	83.1	Confident	75.5	Confident	39 Å²	39	79.5 Å²	79.5	20%	0.204	40%	0.401	C	S	.	.			trans	-101.7	46.1	179.2	-57.6	178.4	0	0	0	111.7	Y932 L934 G981 A983 L995 R999 I1000	Y932-L997 HydrophobicContact CD1-CD1 3.95Å; Y932-L997 HydrophobicContact CD2-CD1 4.38Å; Y932-L997 HydrophobicContact CD2-CD2 4.26Å; Y932-L997 HydrophobicContact CE1-CD1 3.88Å; Y932-L997 HydrophobicContact CE2-CD1 4.34Å; Y932-L997 HydrophobicContact CG-CD1 4.21Å; Y932-L997 HydrophobicContact CG-CD2 4.22Å; L934-L997 HydrophobicContact CD1-CD2 3.87Å; G981-L997 PolarHBondContact O-N 2.95Å; G981-L997 VanDerWaalsContact O-N 3.12Å; A983-L997 HydrophobicContact CB-CD1 3.89Å; A983-L997 HydrophobicContact CB-CG 4.29Å; L995-L997 HydrophobicContact CD2-CD2 4.48Å; L995-L997 PolarHBondContact O-N 3.32Å; L997-R999 PolarHBondContact O-N 3.47Å; L997-I1000 HydrophobicContact CB-CD1 4.25Å; L997-I1000 HydrophobicContact CD1-CD1 4.44Å; L997-I1000 HydrophobicContact CD2-CD1 4.02Å; L997-I1000 HydrophobicContact CG-CD1 4.48Å
998	E	66.7	Low	74.7	Confident	146 Å²	146	81.5 Å²	81.5	68%	0.682	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	120.7	174.6	-88.8	-174.9	153.3	0	0	110.5	L996	L996-E998 HydrophobicContact CD1-CG 4.08Å; L996-E998 HydrophobicContact CD2-CB 4.42Å; L996-E998 HydrophobicContact CD2-CG 4.08Å; L996-E998 HydrophobicContact CG-CB 4.25Å; L996-E998 HydrophobicContact CG-CG 4.01Å
999	R	56.3	Low	74	Confident	242 Å²	242	83.8 Å²	83.8	91%	0.913	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	32.3	-179.7	-51.8	-177.5	176.8	-173.4	-0.9	118	L997 T1001	L997-R999 PolarHBondContact O-N 3.47Å; R999-T1001 PolarHBondContact O-N 3.17Å
1000	I	50.8	Low	73.4	Confident	77 Å²	77	82.8 Å²	82.8	40%	0.395	40%	0.395	S	S	.	.			trans	-90.3	86	151.9	-52.5	177.7	0	0	0	106.8	L934 L997 L1002	L934-I1000 HydrophobicContact CD2-CD1 3.98Å; L934-I1000 HydrophobicContact CD2-CG1 4.3Å; L997-I1000 HydrophobicContact CB-CD1 4.25Å; L997-I1000 HydrophobicContact CD1-CD1 4.44Å; L997-I1000 HydrophobicContact CD2-CD1 4.02Å; L997-I1000 HydrophobicContact CG-CD1 4.48Å; I1000-L1002 PolarHBondContact O-N 3.06Å; I1000-L1002 VanDerWaalsContact O-N 3.07Å
1001	T	36.7	Very low	72.6	Confident	138 Å²	138	80.6 Å²	80.6	85%	0.847	39%	0.394	S	S	*	.			trans	-64.3	106.5	157.5	10	0	0	0	0	106	R999	R999-T1001 PolarHBondContact O-N 3.17Å
1002	L	36.8	Very low	71	Confident	231 Å²	231	87.8 Å²	87.8	100%	1.209	43%	0.429	S	S	*	.			trans	-54	0	169.2	-93.5	158.5	0	0	0	111.4	I1000	I1000-L1002 PolarHBondContact O-N 3.06Å; I1000-L1002 VanDerWaalsContact O-N 3.07Å

Retrieved 1,002 of 1,002 residues in 1147.8 ms (Link to these results)

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