A0A096MH54_POEFO Loading...

SEL1L family member 3

AlphaFold DB , UniProt , Accession A0A096MH54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,007 aa.

						>A0A096MH54_POEFO|A0A096MH54
MTWFHISVSGFAFTACFLLAASVLRGVSTHRDEAAPDSFIGFDSVPDKVADGSVVRVRYQCSRPCQLAVEVVLSTLRKTDLVVFRRKWIRSTPQTLRVQQVLLRLPPSVSHHHRRRFHGSAADTQNVTLQAWLDYLTKGSEIGSVAGIHKVQRVVRLSLWPGTAPAGCPSWSAQLAAWLTSNDRIHQCPHESDVVDLLKFPLASTGEHFGVVRRFRPFISGSLERVRLRAVTEPSTAFSVWIYLLKWCQKKHCGIIHHVDEEHLFDSVLMQLSETGDIIIQARLTTGEDEAFRTHLMLPLWKWIRLDCYILDSKVLLNVTWDAKSHRFEYVFKNSIHFDDTDGYFVIGGGRYMPGFAGYFGPFKYYRLGTDEITNQLHPLSTAQELDRAHMACQETKTFAKAFLHQVAESHLLSPTNKAVCSNDLLRRWGQFDNREATCTQTWSAETQQKHNTLFRFLQGMEEIIQRGPFTALICFCRTFGILFELTVGTVFLVEGKQIQIPSESMVLLQASSCFGNHRASLLLATIYLSGLGHPADREKGHAYSLIGAAGDDRFALMHAGFKHAHGLDGFPQDLDMAYGYYSNVGSQSSSDRSRIHEHKQYTPHFIYLGNEDDLNSLMDESSDVFQYLQYQAERGDLESQRRLGTMFYWGQNGVSKDIASAVKWFERSAMQMKDPEAVYDYSILLMKGQGVKRNYTQGFQLLKKAAAMGSINALNGLGWYHGIVLKDHRNAAKYFEQAALNGSDDGMFNLGIYHLTGENPDKPWKNESAAFEQFLNASRFGHAAASVEVAWYLSTGSLRGVSRDVQRAVTLLQNVCKQNGHLGFMMREALQAHLQGAWEEALVKYILAAETGLGLAQSNTAHLCEVHTHTPFTKKELGVGYDCWCRYRNHSILNSDPHPSIALLEMGDYYYYSSAGTRGNSLSLAEQAVSMYSRAALAGSPQGMFNLAVLAQKGYVLPRSVLDFFNVSRGDGVEAVMEKILNRCAEIEDDEAVTPCSAALLGLQMG
					

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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	34	Very low	27.3	Very low	235 Å²	235	151.1 Å²	151.1	100%	1.158	80%	0.8	S	S	*	*				0	168.9	0	-87.3	179.4	164.9	0	0	108.8
2	T	27	Very low	27.1	Very low	137 Å²	137	145.2 Å²	145.2	84%	0.84	79%	0.788	S	S	*	*			trans	64.5	139.5	-162.6	71.8	0	0	0	0	114.8
3	W	28.8	Very low	27.1	Very low	208 Å²	208	147.8 Å²	147.8	79%	0.788	79%	0.788	S	S	*	*			cis	169.2	163.4	-43.7	-114.9	59.2	0	0	0	106.3
4	F	25.5	Very low	27.1	Very low	162 Å²	162	146.3 Å²	146.3	71%	0.711	79%	0.787	S	S	*	*			trans	74.1	116.1	178.8	-64	-79.2	0	0	0	116.2
5	H	29.1	Very low	27.1	Very low	173 Å²	173	142.2 Å²	142.2	80%	0.801	78%	0.782	S	S	*	*			cis	79.3	151.6	36.2	-88.6	-68.2	0	0	0	117.1
6	I	27	Very low	26.9	Very low	142 Å²	142	141.8 Å²	141.8	73%	0.728	79%	0.79	S	S	*	*			trans	85.8	106.1	175.7	-55.8	160.5	0	0	0	112.5
7	S	26.2	Very low	26.9	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	79%	0.793	S	S	*	*			cis	99.4	149.8	28.6	81.1	0	0	0	0	115.5
8	V	26.9	Very low	26.9	Very low	120 Å²	120	145.7 Å²	145.7	73%	0.727	80%	0.796	S	S	*	*			trans	123.4	119.4	149.4	-177.4	0	0	0	0	117.5
9	S	25.6	Very low	26.9	Very low	115 Å²	115	146.3 Å²	146.3	80%	0.804	80%	0.797	S	S	*	*			trans	64.7	148.7	155.1	71.7	0	0	0	0	120.6
10	G	25.1	Very low	26.9	Very low	60 Å²	60	143.8 Å²	143.8	62%	0.619	80%	0.798	S	S	*	*			cis	154.9	155.2	-10	0	0	0	0	0	113.9
11	F	25.3	Very low	26.8	Very low	210 Å²	210	141.9 Å²	141.9	92%	0.921	80%	0.8	S	S	*	*			trans	64.3	165.2	168.3	-65.3	-88.8	0	0	0	116.7
12	A	25.1	Very low	26.5	Very low	80 Å²	80	136 Å²	136	66%	0.661	78%	0.782	S	S	*	*			cis	177.5	164.6	-28.9	0	0	0	0	0	107.6
13	F	26.9	Very low	26.3	Very low	179 Å²	179	135.9 Å²	135.9	79%	0.785	78%	0.781	S	S	*	*			cis	-157.1	165.7	-18.1	-138.4	-85.2	0	0	0	106.6
14	T	27	Very low	26.3	Very low	127 Å²	127	133.1 Å²	133.1	78%	0.779	78%	0.781	S	S	*	*			trans	59.6	162.8	162.5	44.3	0	0	0	0	119.2
15	A	27.5	Very low	26.2	Very low	85 Å²	85	137 Å²	137	70%	0.702	79%	0.791	S	S	*	*			cis	158.2	127.4	-37.4	0	0	0	0	0	108
16	C	23.8	Very low	25.9	Very low	136 Å²	136	132.5 Å²	132.5	92%	0.919	79%	0.791	S	S	*	*			trans	-170	144	144.5	-114.6	0	0	0	0	112.7
17	F	27.6	Very low	26.1	Very low	193 Å²	193	132 Å²	132	85%	0.846	79%	0.794	S	S	*	*			trans	-84.3	154.3	169.9	-84.7	-113.5	0	0	0	110.4
18	L	26	Very low	26.1	Very low	161 Å²	161	132.3 Å²	132.3	84%	0.843	80%	0.796	S	S	*	*				-177.4	175	107.6	-97.8	170.6	0	0	0	114
19	L	26.5	Very low	26.4	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	79%	0.793	S	S	*	*			trans	-90	149.6	-158.4	-75.4	148.1	0	0	0	115.6
20	A	26.7	Very low	26.4	Very low	97 Å²	97	134.9 Å²	134.9	80%	0.802	80%	0.795	S	S	*	*			trans	39.5	120.3	137.7	0	0	0	0	0	121.4
21	A	24.8	Very low	26.5	Very low	104 Å²	104	141.7 Å²	141.7	86%	0.86	80%	0.802	S	S	*	*				-156.6	135.8	127.4	0	0	0	0	0	110.6
22	S	28.3	Very low	26.6	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	79%	0.791	S	S	*	*			trans	-92.6	145.5	166.3	46.6	0	0	0	0	110.2
23	V	23.8	Very low	26.8	Very low	136 Å²	136	143.3 Å²	143.3	82%	0.824	80%	0.803	S	S	*	*				178.4	142.6	127.1	149.7	0	0	0	0	111.7
24	L	27.4	Very low	26.9	Very low	149 Å²	149	139.8 Å²	139.8	78%	0.78	81%	0.807	S	S	*	*			trans	-36.3	156.7	176.4	-79.9	136.1	0	0	0	122
25	R	24.5	Very low	27.7	Very low	245 Å²	245	138.3 Å²	138.3	93%	0.925	81%	0.807	S	S	*	*			trans	94.3	128.6	144.3	-83.4	171.7	-178.8	-177.1	0.7	120.3
26	G	22.5	Very low	28.8	Very low	77 Å²	77	138.6 Å²	138.6	79%	0.794	80%	0.802	S	S	*	*			trans	179.7	105.3	162.3	0	0	0	0	0	110.1
27	V	31.1	Very low	30.5	Very low	133 Å²	133	137.4 Å²	137.4	81%	0.806	79%	0.787	S	S	*	*			trans	-123.1	125.1	177.7	170.8	0	0	0	0	109.3	T29	V27-T29 HydrophobicContact CG1-CG2 4.23Å
28	S	25.4	Very low	32.1	Very low	106 Å²	106	130 Å²	130	74%	0.741	76%	0.758	S	S	*	*			trans	-170.6	121.3	151.1	54.2	0	0	0	0	107.8
29	T	34.9	Very low	34.4	Very low	108 Å²	108	126 Å²	126	66%	0.663	73%	0.734	S	S	*	*				71	108.9	50.1	71.2	0	0	0	0	115.7	V27	V27-T29 HydrophobicContact CG1-CG2 4.23Å
30	H	25	Very low	36.8	Very low	181 Å²	181	119.2 Å²	119.2	84%	0.838	70%	0.699	S	S	*	*			trans	-142.3	122.4	138.2	-91.3	-88.8	0	0	0	105.2
31	R	27.7	Very low	39.4	Very low	202 Å²	202	115 Å²	115	76%	0.762	67%	0.665	S	S	*	*				68.4	132.3	54.8	-70.4	-164.3	155.8	-179.3	-1.5	112.9
32	D	27.2	Very low	42.1	Very low	129 Å²	129	111.8 Å²	111.8	69%	0.69	63%	0.631	S	S	*	*			cis	-162.4	155.3	-6.6	-94.6	-33.4	0	0	0	108.2
33	E	28.4	Very low	44.6	Very low	195 Å²	195	110.5 Å²	110.5	91%	0.911	62%	0.616	S	S	*	*	S	Bend	trans	-168.4	127.9	135.2	-111.7	174.8	-161.3	0	0	112.7
34	A	28.8	Very low	47.2	Very low	106 Å²	106	106.4 Å²	106.4	88%	0.876	59%	0.593	S	S	*	*			trans	52.3	117.6	167.1	0	0	0	0	0	121.4
35	A	43.6	Very low	49.6	Very low	95 Å²	95	100.2 Å²	100.2	79%	0.785	56%	0.562	S	S	*	*			trans	-81.2	174	178.7	0	0	0	0	0	113.1
36	P	51.3	Low	52	Low	91 Å²	91	90.5 Å²	90.5	59%	0.591	53%	0.53	S	S	*	.			cis	-151.2	168.7	32	43.6	-21.4	0	0	0	121.4	S38	P36-S38 PolarHBondContact O-N 3.39Å
37	D	58.5	Low	54.2	Low	112 Å²	112	92.9 Å²	92.9	60%	0.599	53%	0.525	S	S	*	.	S	Bend	trans	68.3	21.8	144.5	-61.3	-12.2	0	0	0	122.8	S62	D37-S62 WeakPolarHBondContact O-CB 3.47Å; D37-S62 PolarHBondContact O-N 2.91Å
38	S	61.7	Low	56	Low	36 Å²	36	93 Å²	93	25%	0.252	51%	0.514	S	S	.	.			trans	-127.8	136.2	163.8	-62.4	0	0	0	0	112.3	P36 Q60 C61 S62 Y135	P36-S38 PolarHBondContact O-N 3.39Å; S38-Q60 CarbonylContact C-O 3.54Å; S38-Q60 VanDerWaalsContact CA-O 3.25Å; S38-Q60 WeakPolarHBondContact CA-O 3.46Å; S38-Q60 WeakPolarHBondContact CB-O 3.37Å; S38-C61 WeakPolarHBondContact OG-CA 3.42Å; S38-S62 PolarHBondContact OG-N 2.98Å; S38-S62 VanDerWaalsContact OG-N 3.11Å; S38-S62 PolarHBondContact OG-OG 3.26Å; S38-Y135 WeakPolarHBondContact CB-OH 3.27Å; S38-Y135 PolarHBondContact OG-OH 3.35Å
39	F	73.6	Confident	58.1	Low	77 Å²	77	87.9 Å²	87.9	34%	0.338	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.8	-176.7	173.3	-97.8	0	0	0	110.1	R58 Y59 Q60 L96	F39-R58 HydrophobicContact CE1-CG 4.01Å; F39-R58 VanDerWaalsContact CZ-NH1 3.34Å; F39-Y59 CarbonylContact O-C 3.44Å; F39-Y59 WeakPolarHBondContact O-CA 3.39Å; F39-Y59 WeakPolarHBondContact O-CB 3.45Å; F39-Q60 HydrophobicContact CB-CB 4.36Å; F39-Q60 PolarHBondContact N-O 3.32Å; F39-Q60 PolarHBondContact O-N 3.32Å; F39-L96 HydrophobicContact CD1-CD1 4.27Å
40	I	78.8	Confident	59.8	Low	14 Å²	14	83.8 Å²	83.8	7%	0.072	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.3	167.3	-172.8	169.1	0	0	0	109.9	V57 R58 L67 A131 L133 A146 I148	I40-V57 HydrophobicContact CD1-CG1 4.03Å; I40-V57 HydrophobicContact CG1-CG1 3.87Å; I40-R58 CarbonylContact C-O 3.31Å; I40-R58 WeakPolarHBondContact CA-O 3.43Å; I40-L67 HydrophobicContact CD1-CD1 3.48Å; I40-L67 VanDerWaalsContact CD1-CD1 3.48Å; I40-A131 HydrophobicContact CD1-CB 3.96Å; I40-L133 HydrophobicContact CB-CD1 4.03Å; I40-L133 HydrophobicContact CB-CG 4.2Å; I40-L133 HydrophobicContact CD1-CD2 4.25Å; I40-L133 HydrophobicContact CD1-CG 4.02Å; I40-L133 HydrophobicContact CG2-CD1 4.47Å; I40-A146 HydrophobicContact CG2-CB 4.23Å; I40-I148 HydrophobicContact CG1-CD1 3.93Å; I40-I148 HydrophobicContact CG1-CG1 4.26Å; I40-I148 HydrophobicContact CG2-CG2 4.21Å
41	G	80.4	Confident	61.7	Low	8 Å²	8	79.4 Å²	79.4	8%	0.082	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	151.4	179.6	0	0	0	0	0	110.3	V57 R58 I148	G41-V57 CarbonylContact O-C 3.17Å; G41-R58 PolarHBondContact N-O 3.42Å; G41-R58 WeakPolarHBondContact O-CG 3.46Å; G41-R58 PolarHBondContact O-N 3.16Å; G41-I148 VanDerWaalsContact CA-CD1 3.43Å
42	F	81.3	Confident	63.6	Low	37 Å²	37	71.8 Å²	71.8	16%	0.162	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.6	160.2	-68.5	-71.6	0	0	0	108.8	V45 V55 V57 L129 A131 I148 K150	F42-V45 HydrophobicContact CB-CG2 3.55Å; F42-V45 HydrophobicContact CD1-CG2 3.6Å; F42-V45 HydrophobicContact CD2-CG2 4.24Å; F42-V45 HydrophobicContact CE1-CG2 4.38Å; F42-V45 HydrophobicContact CG-CG2 3.53Å; F42-V55 HydrophobicContact CD1-CG1 3.76Å; F42-V55 HydrophobicContact CE1-CG1 3.78Å; F42-V57 HydrophobicContact CD1-CG2 3.86Å; F42-V57 HydrophobicContact CE1-CG2 3.79Å; F42-L129 HydrophobicContact CZ-CB 4.25Å; F42-A131 HydrophobicContact CE1-CB 4.02Å; F42-A131 HydrophobicContact CZ-CB 3.76Å; F42-I148 HydrophobicContact CD2-CD1 3.51Å; F42-I148 HydrophobicContact CD2-CG1 4.13Å; F42-I148 HydrophobicContact CE2-CB 4.45Å; F42-I148 HydrophobicContact CE2-CD1 3.66Å; F42-I148 HydrophobicContact CE2-CG1 3.78Å; F42-I148 HydrophobicContact CG-CD1 4Å; F42-I148 HydrophobicContact CZ-CD1 4.26Å; F42-I148 HydrophobicContact CZ-CG1 4.34Å; F42-I148 VanDerWaalsContact N-CD1 3.31Å; F42-K150 HydrophobicContact CD2-CB 4.24Å; F42-K150 HydrophobicContact CE2-CB 4.15Å
43	D	80.4	Confident	66.1	Low	84 Å²	84	66.5 Å²	66.5	45%	0.449	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-47.5	176.2	-170	57.1	0	0	0	109.5	R56 R58 V98	D43-R56 HydrophobicContact CB-CB 3.95Å; D43-R56 PolarHBondContact N-O 3.11Å; D43-R58 HydrophobicContact CB-CB 4.11Å; D43-R58 HydrophobicContact CB-CG 3.94Å; D43-V98 HydrophobicContact CB-CG1 4.24Å
44	S	78.6	Confident	68.7	Low	49 Å²	49	60.2 Å²	60.2	34%	0.343	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	136.9	166.3	73.3	0	0	0	0	111.5	R56	S44-R56 PolarHBondContact N-O 3.16Å; S44-R56 PolarHBondContact O-N 2.81Å; S44-R56 WeakPolarHBondContact OG-CB 3.35Å; S44-R56 WeakPolarHBondContact OG-CD 3.23Å; S44-R56 VanDerWaalsContact OG-CG 3.31Å; S44-R56 WeakPolarHBondContact OG-CG 3.4Å
45	V	77.8	Confident	71.4	Confident	19 Å²	19	55.1 Å²	55.1	12%	0.115	33%	0.329	C	S	.	.			trans	-132.2	128.4	171.8	-175.7	0	0	0	0	107	F42 V55 L129 K150	F42-V45 HydrophobicContact CB-CG2 3.55Å; F42-V45 HydrophobicContact CD1-CG2 3.6Å; F42-V45 HydrophobicContact CD2-CG2 4.24Å; F42-V45 HydrophobicContact CE1-CG2 4.38Å; F42-V45 HydrophobicContact CG-CG2 3.53Å; V45-V55 HydrophobicContact CG2-CG1 4.38Å; V45-L129 HydrophobicContact CG1-CD1 3.46Å; V45-L129 VanDerWaalsContact CG1-CD1 3.46Å; V45-K150 HydrophobicContact CB-CD 3.98Å; V45-K150 HydrophobicContact CG1-CD 4.15Å; V45-K150 HydrophobicContact CG2-CD 3.92Å
46	P	75.3	Confident	73.5	Confident	41 Å²	41	55.3 Å²	55.3	27%	0.266	31%	0.31	S	S	.	.			trans	-66.5	143	178.4	28.1	-33.9	0	0	0	110.8	K48 Q152	P46-K48 PolarHBondContact O-N 2.96Å; P46-K48 VanDerWaalsContact O-N 3.09Å; P46-Q152 WeakPolarHBondContact O-CG 3.48Å
47	D	67.6	Low	75.1	Confident	128 Å²	128	51 Å²	51	68%	0.684	28%	0.282	S	S	*	.	S	Bend	trans	-65	-17.2	-176.2	-68.5	-45.6	0	0	0	114	Q152	D47-Q152 WeakPolarHBondContact O-CG 3.4Å; D47-Q152 PolarHBondContact O-NE2 2.77Å
48	K	70.7	Confident	76.4	Confident	134 Å²	134	50.2 Å²	50.2	58%	0.583	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	137.5	169.5	-53.3	176.2	-172	169.1	0	109	P46 R153 V155	P46-K48 PolarHBondContact O-N 2.96Å; P46-K48 VanDerWaalsContact O-N 3.09Å; K48-R153 CarbonylContact C-O 3.58Å; K48-R153 WeakPolarHBondContact CA-O 3.49Å; K48-V155 HydrophobicContact CB-CG2 3.36Å; K48-V155 HydrophobicContact CD-CG2 3.93Å; K48-V155 HydrophobicContact CG-CG2 4.28Å
49	V	68.5	Low	77.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.1	180	-177.5	0	0	0	0	109.6	L103 L105 L129 Q152 R153 V154 V155	V49-L103 HydrophobicContact CG1-CD1 3.77Å; V49-L105 HydrophobicContact CG1-CD1 3.9Å; V49-L129 HydrophobicContact CG2-CD1 3.91Å; V49-Q152 HydrophobicContact CG2-CB 4.06Å; V49-Q152 HydrophobicContact CG2-CG 4.15Å; V49-R153 PolarHBondContact N-O 2.72Å; V49-V154 HydrophobicContact CB-CG2 4.44Å; V49-V154 VanDerWaalsContact O-CA 3.3Å; V49-V154 WeakPolarHBondContact O-CA 3.46Å; V49-V155 PolarHBondContact O-N 3.26Å; V49-V155 VanDerWaalsContact O-N 3.09Å
50	A	70.3	Confident	77.8	Confident	22 Å²	22	48.2 Å²	48.2	18%	0.182	26%	0.257	C	S	.	.			trans	-139.3	167	175.4	0	0	0	0	0	110	G52 S53 V155	A50-G52 PolarHBondContact O-N 3.04Å; A50-S53 PolarHBondContact N-OG 3.39Å; A50-S53 WeakPolarHBondContact O-CB 3.32Å; A50-S53 PolarHBondContact O-N 2.92Å; A50-S53 VanDerWaalsContact O-N 3.11Å; A50-S53 PolarHBondContact O-OG 3.23Å; A50-V155 HydrophobicContact CB-CB 4.22Å; A50-V155 HydrophobicContact CB-CG2 4.12Å
51	D	64.8	Low	77.6	Confident	88 Å²	88	48 Å²	48	47%	0.471	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	138.4	171.5	-169.1	41	0	0	0	110.8	S53 R104 L105	D51-S53 VanDerWaalsContact C-N 3.31Å; D51-S53 PolarHBondContact O-N 3.37Å; D51-R104 WeakPolarHBondContact OD1-CA 3.33Å; D51-L105 PolarHBondContact OD1-N 3.07Å
52	G	68.6	Low	77	Confident	42 Å²	42	49.5 Å²	49.5	43%	0.433	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	5.9	-172	0	0	0	0	0	115.5	A50 L102 L103	A50-G52 PolarHBondContact O-N 3.04Å; G52-L102 WeakPolarHBondContact O-CD1 3.24Å; G52-L103 WeakPolarHBondContact CA-O 3.26Å; G52-L103 PolarHBondContact N-O 3.14Å
53	S	79.3	Confident	76.6	Confident	19 Å²	19	56.3 Å²	56.3	13%	0.133	29%	0.291	C	S	.	.			trans	-67.4	140.1	175.4	-69	0	0	0	0	112.4	A50 D51 L103	A50-S53 PolarHBondContact N-OG 3.39Å; A50-S53 WeakPolarHBondContact O-CB 3.32Å; A50-S53 PolarHBondContact O-N 2.92Å; A50-S53 VanDerWaalsContact O-N 3.11Å; A50-S53 PolarHBondContact O-OG 3.23Å; D51-S53 VanDerWaalsContact C-N 3.31Å; D51-S53 PolarHBondContact O-N 3.37Å; S53-L103 WeakPolarHBondContact O-CB 3.43Å; S53-L103 PolarHBondContact O-N 3.38Å
54	V	82.9	Confident	76.2	Confident	62 Å²	62	55 Å²	55	38%	0.376	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.2	177	-177.5	0	0	0	0	110.8	Q100 V101 L102	V54-Q100 HydrophobicContact CG1-CB 4.38Å; V54-V101 WeakPolarHBondContact CA-O 3.41Å; V54-L102 HydrophobicContact CG2-CD1 3.73Å
55	V	86.2	Confident	75.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.9	171.6	175.7	0	0	0	0	109.2	F42 V45 V57 V101 L103 L129	F42-V55 HydrophobicContact CD1-CG1 3.76Å; F42-V55 HydrophobicContact CE1-CG1 3.78Å; V45-V55 HydrophobicContact CG2-CG1 4.38Å; V55-V57 HydrophobicContact CG1-CG2 4.08Å; V55-V101 PolarHBondContact N-O 3.3Å; V55-V101 PolarHBondContact O-N 3.18Å; V55-L103 HydrophobicContact CG2-CD1 3.7Å; V55-L103 HydrophobicContact CG2-CD2 4.4Å; V55-L103 HydrophobicContact CG2-CG 4.06Å; V55-L129 HydrophobicContact CG2-CD1 3.92Å; V55-L129 HydrophobicContact CG2-CD2 4.12Å
56	R	86.6	Confident	76	Confident	99 Å²	99	53.8 Å²	53.8	37%	0.374	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.7	174.9	-62.1	-171.7	177.2	168.2	0.4	109.8	D43 S44 V98 Q99 Q100	D43-R56 HydrophobicContact CB-CB 3.95Å; D43-R56 PolarHBondContact N-O 3.11Å; S44-R56 PolarHBondContact N-O 3.16Å; S44-R56 PolarHBondContact O-N 2.81Å; S44-R56 WeakPolarHBondContact OG-CB 3.35Å; S44-R56 WeakPolarHBondContact OG-CD 3.23Å; S44-R56 VanDerWaalsContact OG-CG 3.31Å; S44-R56 WeakPolarHBondContact OG-CG 3.4Å; R56-V98 HydrophobicContact CB-CG1 3.81Å; R56-V98 HydrophobicContact CG-CG1 4.38Å; R56-Q99 WeakPolarHBondContact CA-O 3.47Å; R56-Q100 HydrophobicContact CG-CG 4.07Å
57	V	86.2	Confident	76.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.2	179.1	-172.7	0	0	0	0	108.7	I40 G41 F42 V55 L67 V69 V98 Q99 A131	I40-V57 HydrophobicContact CD1-CG1 4.03Å; I40-V57 HydrophobicContact CG1-CG1 3.87Å; G41-V57 CarbonylContact O-C 3.17Å; F42-V57 HydrophobicContact CD1-CG2 3.86Å; F42-V57 HydrophobicContact CE1-CG2 3.79Å; V55-V57 HydrophobicContact CG1-CG2 4.08Å; V57-L67 HydrophobicContact CG1-CD1 4.19Å; V57-V69 HydrophobicContact CG2-CG2 3.83Å; V57-V98 CarbonylContact O-C 3.53Å; V57-V98 WeakPolarHBondContact O-CA 3.32Å; V57-Q99 PolarHBondContact N-O 2.77Å; V57-Q99 PolarHBondContact O-N 2.95Å; V57-A131 HydrophobicContact CG1-CB 4.17Å; V57-A131 HydrophobicContact CG2-CB 4.38Å
58	R	85.3	Confident	77.1	Confident	96 Å²	96	45.7 Å²	45.7	36%	0.362	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.6	172.6	51.6	176.6	-174.5	124.8	-0.1	109.5	F39 I40 G41 D43 R97 V98	F39-R58 HydrophobicContact CE1-CG 4.01Å; F39-R58 VanDerWaalsContact CZ-NH1 3.34Å; I40-R58 CarbonylContact C-O 3.31Å; I40-R58 WeakPolarHBondContact CA-O 3.43Å; G41-R58 PolarHBondContact N-O 3.42Å; G41-R58 WeakPolarHBondContact O-CG 3.46Å; G41-R58 PolarHBondContact O-N 3.16Å; D43-R58 HydrophobicContact CB-CB 4.11Å; D43-R58 HydrophobicContact CB-CG 3.94Å; R58-R97 CarbonylContact C-O 3.2Å; R58-R97 VanDerWaalsContact CA-O 3.29Å; R58-R97 WeakPolarHBondContact CA-O 3.42Å; R58-V98 HydrophobicContact CB-CG2 4.15Å
59	Y	83.4	Confident	77.7	Confident	13 Å²	13	39.3 Å²	39.3	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.1	-179.4	77.9	-69.9	0	0	0	112.7	F39 L67 R90 R97 Q99 L133	F39-Y59 CarbonylContact O-C 3.44Å; F39-Y59 WeakPolarHBondContact O-CA 3.39Å; F39-Y59 WeakPolarHBondContact O-CB 3.45Å; Y59-L67 HydrophobicContact CD1-CD2 3.89Å; Y59-L67 HydrophobicContact CE1-CD2 3.8Å; Y59-L67 HydrophobicContact CE2-CB 4.27Å; Y59-L67 HydrophobicContact CG-CD2 4.35Å; Y59-R90 PolarHBondContact OH-NH1 3.41Å; Y59-R97 HydrophobicContact CE1-CB 4.45Å; Y59-R97 PolarHBondContact N-O 3.28Å; Y59-R97 PolarHBondContact O-N 2.92Å; Y59-Q99 HydrophobicContact CE1-CB 4.06Å; Y59-L133 HydrophobicContact CD2-CD2 3.71Å; Y59-L133 HydrophobicContact CE2-CD2 4.41Å; Y59-L133 HydrophobicContact CG-CD2 4.37Å
60	Q	80.6	Confident	78.3	Confident	57 Å²	57	39.4 Å²	39.4	27%	0.266	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.9	176.8	176.3	174.4	-25.1	0	0	107.9	S38 F39 L96	S38-Q60 CarbonylContact C-O 3.54Å; S38-Q60 VanDerWaalsContact CA-O 3.25Å; S38-Q60 WeakPolarHBondContact CA-O 3.46Å; S38-Q60 WeakPolarHBondContact CB-O 3.37Å; F39-Q60 HydrophobicContact CB-CB 4.36Å; F39-Q60 PolarHBondContact N-O 3.32Å; F39-Q60 PolarHBondContact O-N 3.32Å; Q60-L96 HydrophobicContact CB-CB 4.42Å; Q60-L96 HydrophobicContact CB-CD1 4.38Å
61	C	75.1	Confident	78.6	Confident	10 Å²	10	38.4 Å²	38.4	7%	0.068	19%	0.194	C	C	.	.			trans	-128	133.9	176.7	-59	0	0	0	0	111.1	S38 R63 C65 P93 Q94	S38-C61 WeakPolarHBondContact OG-CA 3.42Å; C61-R63 VanDerWaalsContact CB-O 3.32Å; C61-R63 WeakPolarHBondContact CB-O 3.46Å; C61-C65 HydrophobicContact CB-CB 3.74Å; C61-C65 WeakPolarHBondContact CB-SG 3.47Å; C61-C65 WeakPolarHBondContact SG-CB 3.48Å; C61-C65 CovalentContact SG-SG 2.04Å; C61-C65 PolarHBondContact SG-SG 3.44Å; C61-P93 WeakPolarHBondContact O-CA 3.37Å; C61-P93 WeakPolarHBondContact O-CB 3.46Å; C61-Q94 PolarHBondContact O-N 3.44Å; C61-Q94 VanDerWaalsContact O-N 3.15Å
62	S	68.9	Low	79	Confident	39 Å²	39	34.4 Å²	34.4	27%	0.273	17%	0.172	S	C	.	.	S	Bend	trans	-79.4	-18.2	171.9	56.7	0	0	0	0	113.8	D37 S38 P93	D37-S62 WeakPolarHBondContact O-CB 3.47Å; D37-S62 PolarHBondContact O-N 2.91Å; S38-S62 PolarHBondContact OG-N 2.98Å; S38-S62 VanDerWaalsContact OG-N 3.11Å; S38-S62 PolarHBondContact OG-OG 3.26Å; S62-P93 WeakPolarHBondContact O-CB 3.24Å
63	R	71.3	Confident	79	Confident	181 Å²	181	32.6 Å²	32.6	68%	0.683	15%	0.153	S	C	*	.	S	Bend	trans	-137.3	165.9	-179.9	-66.3	-175.5	-178.4	178.4	1.8	110.7	C61 C65 Y135	C61-R63 VanDerWaalsContact CB-O 3.32Å; C61-R63 WeakPolarHBondContact CB-O 3.46Å; R63-C65 PolarHBondContact O-N 3.09Å; R63-Y135 HydrophobicContact CB-CD1 4.13Å; R63-Y135 HydrophobicContact CB-CE1 4.28Å
64	P	71.9	Confident	78.2	Confident	56 Å²	56	33.7 Å²	33.7	36%	0.364	16%	0.16	S	C	.	.			trans	-51.8	123.2	172.2	-28	36.7	0	0	0	111.7	R90 L136	P64-R90 WeakPolarHBondContact CA-O 3.41Å; P64-L136 PolarHBondContact O-N 2.87Å
65	C	73.5	Confident	77.1	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.034	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.6	-170.1	69.9	0	0	0	0	111.2	C61 R63 R90 D134 Y135	C61-C65 HydrophobicContact CB-CB 3.74Å; C61-C65 WeakPolarHBondContact CB-SG 3.47Å; C61-C65 WeakPolarHBondContact SG-CB 3.48Å; C61-C65 CovalentContact SG-SG 2.04Å; C61-C65 PolarHBondContact SG-SG 3.44Å; R63-C65 PolarHBondContact O-N 3.09Å; C65-R90 PolarHBondContact N-O 3.01Å; C65-R90 VanDerWaalsContact N-O 3.14Å; C65-R90 PolarHBondContact O-N 3.04Å; C65-D134 CarbonylContact C-O 3.5Å; C65-D134 VanDerWaalsContact CA-O 3.31Å; C65-D134 WeakPolarHBondContact CA-O 3.4Å; C65-Y135 HydrophobicContact CB-CD1 4.3Å
66	Q	79.9	Confident	75.5	Confident	37 Å²	37	38.2 Å²	38.2	17%	0.173	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113	170.7	-174.7	173.7	40.4	0	0	108.6	K87 W88 I89 D134	Q66-K87 HydrophobicContact CG-CB 4.03Å; Q66-K87 HydrophobicContact CG-CD 4.26Å; Q66-W88 CarbonylContact C-O 3.55Å; Q66-W88 VanDerWaalsContact CA-O 3.31Å; Q66-W88 WeakPolarHBondContact CA-O 3.41Å; Q66-I89 HydrophobicContact CB-CG1 4.08Å; Q66-I89 HydrophobicContact CG-CG1 3.79Å; Q66-D134 HydrophobicContact CB-CB 4.34Å; Q66-D134 PolarHBondContact N-O 2.85Å; Q66-D134 PolarHBondContact O-N 3.28Å
67	L	84.6	Confident	73.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.8	168.7	173.9	68.1	0	0	0	108.4	I40 V57 Y59 V69 K87 W88 Q99 L133	I40-L67 HydrophobicContact CD1-CD1 3.48Å; I40-L67 VanDerWaalsContact CD1-CD1 3.48Å; V57-L67 HydrophobicContact CG1-CD1 4.19Å; Y59-L67 HydrophobicContact CD1-CD2 3.89Å; Y59-L67 HydrophobicContact CE1-CD2 3.8Å; Y59-L67 HydrophobicContact CE2-CB 4.27Å; Y59-L67 HydrophobicContact CG-CD2 4.35Å; L67-V69 HydrophobicContact CD1-CG2 4.4Å; L67-V69 HydrophobicContact CD2-CG2 4.43Å; L67-V69 HydrophobicContact CG-CG2 4.27Å; L67-K87 CarbonylContact O-C 3.57Å; L67-K87 VanDerWaalsContact O-CA 3.24Å; L67-K87 WeakPolarHBondContact O-CA 3.09Å; L67-W88 HydrophobicContact CD2-CE3 4.32Å; L67-W88 HydrophobicContact CG-CE3 4.34Å; L67-W88 PolarHBondContact N-O 3.49Å; L67-W88 PolarHBondContact O-N 2.88Å; L67-Q99 HydrophobicContact CD2-CB 3.96Å; L67-Q99 HydrophobicContact CD2-CG 4.16Å; L67-L133 HydrophobicContact CB-CD2 4.03Å; L67-L133 HydrophobicContact CD1-CD2 3.82Å
68	A	80.8	Confident	72.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.1	167.3	0	0	0	0	0	110	R86 K87 A131 W132	A68-R86 WeakPolarHBondContact CA-O 3.48Å; A68-K87 HydrophobicContact CB-CD 4.23Å; A68-K87 HydrophobicContact CB-CG 3.93Å; A68-A131 CarbonylContact O-C 3.37Å; A68-A131 VanDerWaalsContact O-CA 3.23Å; A68-A131 WeakPolarHBondContact O-CA 3.31Å; A68-W132 HydrophobicContact CB-CD2 3.89Å; A68-W132 HydrophobicContact CB-CG 4.23Å; A68-W132 HydrophobicContact CB-CZ2 4.03Å; A68-W132 PolarHBondContact N-O 3.35Å; A68-W132 PolarHBondContact O-N 3.45Å
69	V	83.4	Confident	70.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.8	170.7	-178.4	0	0	0	0	108.7	V57 L67 R86 W88 V101 Q130 A131	V57-V69 HydrophobicContact CG2-CG2 3.83Å; L67-V69 HydrophobicContact CD1-CG2 4.4Å; L67-V69 HydrophobicContact CD2-CG2 4.43Å; L67-V69 HydrophobicContact CG-CG2 4.27Å; V69-R86 PolarHBondContact N-O 3.33Å; V69-R86 PolarHBondContact O-N 3Å; V69-W88 HydrophobicContact CB-CH2 4.47Å; V69-W88 HydrophobicContact CB-CZ3 3.99Å; V69-W88 HydrophobicContact CG2-CZ3 3.85Å; V69-V101 HydrophobicContact CG2-CG2 4.29Å; V69-Q130 WeakPolarHBondContact CA-O 3.4Å; V69-A131 HydrophobicContact CG2-CB 4.05Å
70	E	81.1	Confident	69.5	Low	2 Å²	2	56.5 Å²	56.5	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149	-171.1	-53	-158.8	179.7	0	0	112.2	V82 F84 R85 L129 Q130 W132	E70-V82 HydrophobicContact CB-CG1 4.37Å; E70-V82 WeakPolarHBondContact OE2-CG1 3.38Å; E70-F84 CarbonylContact C-O 3.59Å; E70-F84 VanDerWaalsContact CA-O 3.22Å; E70-F84 WeakPolarHBondContact CA-O 3.41Å; E70-R85 HydrophobicContact CG-CB 4.19Å; E70-R85 HydrophobicContact CG-CG 4.14Å; E70-R85 WeakPolarHBondContact OE1-CD 3.22Å; E70-R85 WeakPolarHBondContact OE1-CG 3.46Å; E70-R85 IonicContact OE1-CZ 3.53Å; E70-R85 VanDerWaalsContact OE1-CZ 3.25Å; E70-R85 IonicContact OE1-NE 2.67Å; E70-R85 PolarHBondContact OE1-NE 2.81Å; E70-R85 IonicContact OE1-NH2 3.41Å; E70-R85 PolarHBondContact OE1-NH2 3.17Å; E70-R85 IonicContact OE2-CZ 2.8Å; E70-R85 VanDerWaalsContact OE2-CZ 3.31Å; E70-R85 IonicContact OE2-NE 2.6Å; E70-R85 PolarHBondContact OE2-NE 2.98Å; E70-R85 IonicContact OE2-NH2 3.55Å; E70-R85 PolarHBondContact OE2-NH2 3.36Å; E70-L129 WeakPolarHBondContact O-CA 3.24Å; E70-Q130 PolarHBondContact N-O 3.19Å; E70-Q130 PolarHBondContact O-N 2.86Å; E70-W132 HydrophobicContact CB-CZ3 4.32Å; E70-W132 HydrophobicContact CG-CH2 3.84Å; E70-W132 HydrophobicContact CG-CZ3 3.85Å; E70-W132 WeakPolarHBondContact OE1-CH2 3.35Å; E70-W132 WeakPolarHBondContact OE1-CZ2 3.27Å; E70-W132 WeakPolarHBondContact OE2-CH2 3.27Å
71	V	76.1	Confident	68.7	Low	1 Å²	1	57.9 Å²	57.9	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.5	171.7	-176.1	0	0	0	0	107	V83 F84 L103 L105 V127 L129	V71-V83 HydrophobicContact CB-CG2 4.11Å; V71-V83 HydrophobicContact CG1-CG2 3.87Å; V71-V83 WeakPolarHBondContact O-CG2 3.49Å; V71-V83 PolarHBondContact O-N 2.69Å; V71-F84 HydrophobicContact CB-CB 3.9Å; V71-F84 HydrophobicContact CG2-CB 3.8Å; V71-F84 HydrophobicContact CG2-CD1 4.02Å; V71-F84 HydrophobicContact CG2-CG 4.25Å; V71-F84 PolarHBondContact N-O 3.42Å; V71-L103 HydrophobicContact CG2-CD1 4.15Å; V71-L103 HydrophobicContact CG2-CD2 3.83Å; V71-L105 HydrophobicContact CB-CD2 4.42Å; V71-L105 HydrophobicContact CG1-CD2 4.2Å; V71-L105 HydrophobicContact CG2-CD2 4.37Å; V71-V127 HydrophobicContact CG1-CG1 3.31Å; V71-L129 HydrophobicContact CG2-CD2 3.74Å
72	V	73.1	Confident	68.3	Low	3 Å²	3	60.3 Å²	60.3	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131	-179.5	-170.9	0	0	0	0	108.9	D80 L81 V82 V127 T128 Q130	V72-D80 HydrophobicContact CG1-CB 4.35Å; V72-L81 WeakPolarHBondContact CA-O 3.34Å; V72-V82 HydrophobicContact CG2-CG2 4.2Å; V72-V127 CarbonylContact O-C 3.55Å; V72-V127 WeakPolarHBondContact O-CA 3.42Å; V72-T128 PolarHBondContact N-O 3.44Å; V72-T128 PolarHBondContact O-N 3.23Å; V72-T128 PolarHBondContact O-OG1 2.66Å; V72-Q130 HydrophobicContact CG2-CG 4.27Å
73	L	69.2	Low	68.3	Low	5 Å²	5	59.8 Å²	59.8	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.8	176.1	-58.7	179.4	0	0	0	109.9	L81 V83 V109 T124 V127	L73-L81 HydrophobicContact CB-CB 4.35Å; L73-L81 HydrophobicContact CD1-CD2 4.43Å; L73-L81 PolarHBondContact N-O 3.44Å; L73-L81 PolarHBondContact O-N 2.88Å; L73-L81 VanDerWaalsContact O-N 3.16Å; L73-V83 HydrophobicContact CD1-CB 4.23Å; L73-V83 HydrophobicContact CD1-CG1 3.41Å; L73-V83 VanDerWaalsContact CD1-CG1 3.41Å; L73-V83 HydrophobicContact CD1-CG2 3.88Å; L73-V83 HydrophobicContact CD2-CG2 4.22Å; L73-V83 HydrophobicContact CG-CB 4.44Å; L73-V83 HydrophobicContact CG-CG1 3.87Å; L73-V83 HydrophobicContact CG-CG2 3.73Å; L73-V109 HydrophobicContact CD1-CB 4.29Å; L73-V109 HydrophobicContact CD1-CG1 3.62Å; L73-V109 HydrophobicContact CD1-CG2 3.71Å; L73-V109 HydrophobicContact CD2-CG1 4.05Å; L73-V109 HydrophobicContact CG-CG1 4.47Å; L73-T124 HydrophobicContact CB-CG2 3.98Å; L73-T124 HydrophobicContact CD1-CG2 4.06Å; L73-T124 HydrophobicContact CG-CG2 4.47Å; L73-V127 HydrophobicContact CD2-CB 4.14Å; L73-V127 HydrophobicContact CD2-CG1 3.93Å; L73-V127 HydrophobicContact CD2-CG2 3.34Å
74	S	62	Low	68.4	Low	41 Å²	41	52.2 Å²	52.2	29%	0.287	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.1	169	-55.6	0	0	0	0	109.7	T79 N126	S74-T79 WeakPolarHBondContact CA-O 3.42Å; S74-T79 PolarHBondContact OG-O 3.23Å; S74-N126 PolarHBondContact N-O 3.47Å
75	T	59	Low	68.8	Low	23 Å²	23	56.3 Å²	56.3	14%	0.141	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	163.2	179.4	72.6	0	0	0	0	109.7	R77 K78 A122 T124	T75-R77 PolarHBondContact O-N 3.32Å; T75-R77 PolarHBondContact OG1-N 2.94Å; T75-K78 PolarHBondContact N-O 3.36Å; T75-K78 PolarHBondContact OG1-N 3.4Å; T75-K78 PolarHBondContact OG1-O 3.41Å; T75-A122 HydrophobicContact CG2-CB 3.65Å; T75-T124 HydrophobicContact CG2-CG2 3.7Å
76	L	53.1	Low	69	Low	134 Å²	134	62.7 Å²	62.7	70%	0.702	30%	0.296	S	S	*	.	S	Bend	trans	-61.5	-6.8	173.9	-68.1	173.6	0	0	0	115.1	D123	L76-D123 HydrophobicContact CD1-CB 4.01Å; L76-D123 HydrophobicContact CG-CB 4.45Å
77	R	49.2	Very low	69.1	Low	237 Å²	237	64.7 Å²	64.7	89%	0.894	30%	0.304	S	S	*	.	S	Bend	trans	-126.6	-15.8	-178.2	-66.8	-173.4	178.6	-166.1	-1.2	115.6	T75	T75-R77 PolarHBondContact O-N 3.32Å; T75-R77 PolarHBondContact OG1-N 2.94Å
78	K	52.5	Low	69	Low	155 Å²	155	67.3 Å²	67.3	67%	0.674	31%	0.314	S	S	*	.			trans	-151.5	131.2	177.6	-92.6	-170.4	172.7	-175.3	0	109	T75	T75-K78 PolarHBondContact N-O 3.36Å; T75-K78 PolarHBondContact OG1-N 3.4Å; T75-K78 PolarHBondContact OG1-O 3.41Å
79	T	53.2	Low	68.6	Low	88 Å²	88	72.4 Å²	72.4	54%	0.54	34%	0.34	S	S	.	.	S	Bend	trans	-81.6	-25	-176.3	35.9	0	0	0	0	114.2	S74	S74-T79 WeakPolarHBondContact CA-O 3.42Å; S74-T79 PolarHBondContact OG-O 3.23Å
80	D	61.3	Low	67.7	Low	113 Å²	113	77 Å²	77	60%	0.604	36%	0.358	S	S	*	.			trans	-128.7	56.2	-160.2	-53	-70.6	0	0	0	114.1	V72 V82	V72-D80 HydrophobicContact CG1-CB 4.35Å; D80-V82 PolarHBondContact O-N 2.99Å
81	L	62.6	Low	66.4	Low	86 Å²	86	81.4 Å²	81.4	45%	0.45	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	99.8	173.9	-171.5	79.3	0	0	0	111	V72 L73 V83	V72-L81 WeakPolarHBondContact CA-O 3.34Å; L73-L81 HydrophobicContact CB-CB 4.35Å; L73-L81 HydrophobicContact CD1-CD2 4.43Å; L73-L81 PolarHBondContact N-O 3.44Å; L73-L81 PolarHBondContact O-N 2.88Å; L73-L81 VanDerWaalsContact O-N 3.16Å; L81-V83 HydrophobicContact CD2-CG1 3.89Å; L81-V83 HydrophobicContact CG-CG1 4.1Å; L81-V83 PolarHBondContact O-N 3.11Å
82	V	67.5	Low	65.5	Low	61 Å²	61	86 Å²	86	37%	0.37	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	116.2	173.6	-170.4	0	0	0	0	110	E70 V72 D80 R85	E70-V82 HydrophobicContact CB-CG1 4.37Å; E70-V82 WeakPolarHBondContact OE2-CG1 3.38Å; V72-V82 HydrophobicContact CG2-CG2 4.2Å; D80-V82 PolarHBondContact O-N 2.99Å; V82-R85 HydrophobicContact CG1-CB 4.08Å
83	V	68.7	Low	64.8	Low	28 Å²	28	88.6 Å²	88.6	17%	0.17	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-13.7	-179.6	-65.6	0	0	0	0	114.5	V71 L73 L81 L105 P106 V109	V71-V83 HydrophobicContact CB-CG2 4.11Å; V71-V83 HydrophobicContact CG1-CG2 3.87Å; V71-V83 WeakPolarHBondContact O-CG2 3.49Å; V71-V83 PolarHBondContact O-N 2.69Å; L73-V83 HydrophobicContact CD1-CB 4.23Å; L73-V83 HydrophobicContact CD1-CG1 3.41Å; L73-V83 VanDerWaalsContact CD1-CG1 3.41Å; L73-V83 HydrophobicContact CD1-CG2 3.88Å; L73-V83 HydrophobicContact CD2-CG2 4.22Å; L73-V83 HydrophobicContact CG-CB 4.44Å; L73-V83 HydrophobicContact CG-CG1 3.87Å; L73-V83 HydrophobicContact CG-CG2 3.73Å; L81-V83 HydrophobicContact CD2-CG1 3.89Å; L81-V83 HydrophobicContact CG-CG1 4.1Å; L81-V83 PolarHBondContact O-N 3.11Å; V83-L105 HydrophobicContact CG2-CD2 4.16Å; V83-P106 HydrophobicContact CB-CG 4.44Å; V83-V109 HydrophobicContact CB-CG2 4.2Å; V83-V109 HydrophobicContact CG1-CG2 4Å; V83-V109 HydrophobicContact CG2-CG2 4.38Å
84	F	73.7	Confident	64.4	Low	21 Å²	21	96 Å²	96	9%	0.092	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	136.1	168.9	174.5	-87	0	0	0	108.1	E70 V71 R86 V101 L103 R104 L105	E70-F84 CarbonylContact C-O 3.59Å; E70-F84 VanDerWaalsContact CA-O 3.22Å; E70-F84 WeakPolarHBondContact CA-O 3.41Å; V71-F84 HydrophobicContact CB-CB 3.9Å; V71-F84 HydrophobicContact CG2-CB 3.8Å; V71-F84 HydrophobicContact CG2-CD1 4.02Å; V71-F84 HydrophobicContact CG2-CG 4.25Å; V71-F84 PolarHBondContact N-O 3.42Å; F84-R86 HydrophobicContact CE1-CB 4.3Å; F84-R86 HydrophobicContact CE1-CG 4.39Å; F84-R86 HydrophobicContact CE2-CG 4.46Å; F84-R86 HydrophobicContact CZ-CB 4.29Å; F84-R86 HydrophobicContact CZ-CG 3.93Å; F84-V101 HydrophobicContact CE1-CG1 3.8Å; F84-V101 HydrophobicContact CZ-CG1 3.79Å; F84-L103 HydrophobicContact CD1-CD2 3.77Å; F84-L103 HydrophobicContact CE1-CD2 3.62Å; F84-L103 HydrophobicContact CG-CD2 4.36Å; F84-L103 HydrophobicContact CZ-CD2 4.07Å; F84-R104 WeakPolarHBondContact CD2-O 3.16Å; F84-L105 HydrophobicContact CB-CD2 4.11Å
85	R	79.9	Confident	64.7	Low	143 Å²	143	97.7 Å²	97.7	54%	0.54	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	124.5	176.5	169.8	177.9	-71.5	-171.4	-10.7	107.6	E70 V82	E70-R85 HydrophobicContact CG-CB 4.19Å; E70-R85 HydrophobicContact CG-CG 4.14Å; E70-R85 WeakPolarHBondContact OE1-CD 3.22Å; E70-R85 WeakPolarHBondContact OE1-CG 3.46Å; E70-R85 IonicContact OE1-CZ 3.53Å; E70-R85 VanDerWaalsContact OE1-CZ 3.25Å; E70-R85 IonicContact OE1-NE 2.67Å; E70-R85 PolarHBondContact OE1-NE 2.81Å; E70-R85 IonicContact OE1-NH2 3.41Å; E70-R85 PolarHBondContact OE1-NH2 3.17Å; E70-R85 IonicContact OE2-CZ 2.8Å; E70-R85 VanDerWaalsContact OE2-CZ 3.31Å; E70-R85 IonicContact OE2-NE 2.6Å; E70-R85 PolarHBondContact OE2-NE 2.98Å; E70-R85 IonicContact OE2-NH2 3.55Å; E70-R85 PolarHBondContact OE2-NH2 3.36Å; V82-R85 HydrophobicContact CG1-CB 4.08Å
86	R	78.6	Confident	65.4	Low	139 Å²	139	101.4 Å²	101.4	53%	0.525	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.5	164	-87.2	-167.3	167	-169	-6.7	109.7	A68 V69 F84 W88	A68-R86 WeakPolarHBondContact CA-O 3.48Å; V69-R86 PolarHBondContact N-O 3.33Å; V69-R86 PolarHBondContact O-N 3Å; F84-R86 HydrophobicContact CE1-CB 4.3Å; F84-R86 HydrophobicContact CE1-CG 4.39Å; F84-R86 HydrophobicContact CE2-CG 4.46Å; F84-R86 HydrophobicContact CZ-CB 4.29Å; F84-R86 HydrophobicContact CZ-CG 3.93Å; R86-W88 HydrophobicContact CB-CE3 4.38Å; R86-W88 HydrophobicContact CB-CH2 3.28Å; R86-W88 HydrophobicContact CB-CZ2 3.7Å; R86-W88 HydrophobicContact CB-CZ3 3.66Å; R86-W88 HydrophobicContact CG-CH2 4.26Å; R86-W88 HydrophobicContact CG-CZ2 4.31Å; R86-W88 WeakPolarHBondContact O-CZ3 3.45Å
87	K	82.1	Confident	66.4	Low	78 Å²	78	100.1 Å²	100.1	34%	0.339	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.3	175.4	-58.1	-160	174.4	-157.6	0	110.2	Q66 L67 A68 D134	Q66-K87 HydrophobicContact CG-CB 4.03Å; Q66-K87 HydrophobicContact CG-CD 4.26Å; L67-K87 CarbonylContact O-C 3.57Å; L67-K87 VanDerWaalsContact O-CA 3.24Å; L67-K87 WeakPolarHBondContact O-CA 3.09Å; A68-K87 HydrophobicContact CB-CD 4.23Å; A68-K87 HydrophobicContact CB-CG 3.93Å; K87-D134 IonicContact NZ-OD2 3.55Å; K87-D134 PolarHBondContact NZ-OD2 3.45Å
88	W	81.1	Confident	68	Low	56 Å²	56	92 Å²	92	21%	0.212	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	118.6	177.5	-62.2	-94	0	0	0	109.6	Q66 L67 V69 R86 V101	Q66-W88 CarbonylContact C-O 3.55Å; Q66-W88 VanDerWaalsContact CA-O 3.31Å; Q66-W88 WeakPolarHBondContact CA-O 3.41Å; L67-W88 HydrophobicContact CD2-CE3 4.32Å; L67-W88 HydrophobicContact CG-CE3 4.34Å; L67-W88 PolarHBondContact N-O 3.49Å; L67-W88 PolarHBondContact O-N 2.88Å; V69-W88 HydrophobicContact CB-CH2 4.47Å; V69-W88 HydrophobicContact CB-CZ3 3.99Å; V69-W88 HydrophobicContact CG2-CZ3 3.85Å; R86-W88 HydrophobicContact CB-CE3 4.38Å; R86-W88 HydrophobicContact CB-CH2 3.28Å; R86-W88 HydrophobicContact CB-CZ2 3.7Å; R86-W88 HydrophobicContact CB-CZ3 3.66Å; R86-W88 HydrophobicContact CG-CH2 4.26Å; R86-W88 HydrophobicContact CG-CZ2 4.31Å; R86-W88 WeakPolarHBondContact O-CZ3 3.45Å; W88-V101 HydrophobicContact CH2-CB 4.24Å; W88-V101 HydrophobicContact CH2-CG1 3.77Å; W88-V101 HydrophobicContact CH2-CG2 3.43Å; W88-V101 VanDerWaalsContact CH2-CG2 3.43Å; W88-V101 HydrophobicContact CZ2-CG1 4.39Å; W88-V101 HydrophobicContact CZ2-CG2 4.01Å; W88-V101 HydrophobicContact CZ3-CG2 4.1Å
89	I	72.4	Confident	69.5	Low	107 Å²	107	86.6 Å²	86.6	55%	0.549	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	134	175.7	-68.4	168.8	0	0	0	108.9	Q66 L136	Q66-I89 HydrophobicContact CB-CG1 4.08Å; Q66-I89 HydrophobicContact CG-CG1 3.79Å; I89-L136 HydrophobicContact CG2-CD1 3.66Å
90	R	64.9	Low	71	Confident	96 Å²	96	87.5 Å²	87.5	36%	0.362	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.9	170.9	-95.4	-174.4	171.3	148	0.1	113.1	Y59 P64 C65	Y59-R90 PolarHBondContact OH-NH1 3.41Å; P64-R90 WeakPolarHBondContact CA-O 3.41Å; C65-R90 PolarHBondContact N-O 3.01Å; C65-R90 VanDerWaalsContact N-O 3.14Å; C65-R90 PolarHBondContact O-N 3.04Å
91	S	54.7	Low	72.1	Confident	94 Å²	94	82.1 Å²	82.1	66%	0.657	40%	0.404	S	S	*	.			trans	-104.5	-10.7	-172.2	44.4	0	0	0	0	115
92	T	57.7	Low	73	Confident	98 Å²	98	81.7 Å²	81.7	60%	0.601	40%	0.402	S	S	*	.			trans	-105.6	118	-177.8	46.4	0	0	0	0	112.3
93	P	58.2	Low	73.5	Confident	57 Å²	57	78.8 Å²	78.8	37%	0.37	38%	0.384	S	S	.	.			trans	-86.5	174.8	-178.8	35	-35.5	0	0	0	113.6	C61 S62	C61-P93 WeakPolarHBondContact O-CA 3.37Å; C61-P93 WeakPolarHBondContact O-CB 3.46Å; S62-P93 WeakPolarHBondContact O-CB 3.24Å
94	Q	60.8	Low	73.6	Confident	162 Å²	162	86.3 Å²	86.3	76%	0.757	41%	0.41	S	S	*	.	S	Bend	trans	81.7	14.3	163.6	-53.7	-175.7	-13.8	0	0	120.9	C61	C61-Q94 PolarHBondContact O-N 3.44Å; C61-Q94 VanDerWaalsContact O-N 3.15Å
95	T	66.6	Low	73	Confident	75 Å²	75	86.1 Å²	86.1	46%	0.46	41%	0.409	S	S	.	.			trans	-125.3	134.5	165.8	45.6	0	0	0	0	112.4	R97	T95-R97 PolarHBondContact OG1-NE 3Å; T95-R97 PolarHBondContact OG1-NH2 3.33Å; T95-R97 VanDerWaalsContact OG1-NH2 3.17Å
96	L	74.1	Confident	71.7	Confident	101 Å²	101	81.4 Å²	81.4	53%	0.529	40%	0.398	S	S	.	.			trans	-72.4	126.1	172.6	-173	127.4	0	0	0	109.6	F39 Q60	F39-L96 HydrophobicContact CD1-CD1 4.27Å; Q60-L96 HydrophobicContact CB-CB 4.42Å; Q60-L96 HydrophobicContact CB-CD1 4.38Å
97	R	74.5	Confident	70.2	Confident	107 Å²	107	79.5 Å²	79.5	40%	0.404	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.8	-171.8	-67	-176.7	-176.9	-141.2	-4	112.2	R58 Y59 T95	R58-R97 CarbonylContact C-O 3.2Å; R58-R97 VanDerWaalsContact CA-O 3.29Å; R58-R97 WeakPolarHBondContact CA-O 3.42Å; Y59-R97 HydrophobicContact CE1-CB 4.45Å; Y59-R97 PolarHBondContact N-O 3.28Å; Y59-R97 PolarHBondContact O-N 2.92Å; T95-R97 PolarHBondContact OG1-NE 3Å; T95-R97 PolarHBondContact OG1-NH2 3.33Å; T95-R97 VanDerWaalsContact OG1-NH2 3.17Å
98	V	83	Confident	68.7	Low	67 Å²	67	80.7 Å²	80.7	41%	0.406	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.4	174.6	-176.7	0	0	0	0	109.3	D43 R56 V57 R58	D43-V98 HydrophobicContact CB-CG1 4.24Å; R56-V98 HydrophobicContact CB-CG1 3.81Å; R56-V98 HydrophobicContact CG-CG1 4.38Å; V57-V98 CarbonylContact O-C 3.53Å; V57-V98 WeakPolarHBondContact O-CA 3.32Å; R58-V98 HydrophobicContact CB-CG2 4.15Å
99	Q	83.1	Confident	67.2	Low	41 Å²	41	78.8 Å²	78.8	19%	0.192	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.5	172.3	-172	61.5	37.6	0	0	109.5	R56 V57 Y59 L67 V101	R56-Q99 WeakPolarHBondContact CA-O 3.47Å; V57-Q99 PolarHBondContact N-O 2.77Å; V57-Q99 PolarHBondContact O-N 2.95Å; Y59-Q99 HydrophobicContact CE1-CB 4.06Å; L67-Q99 HydrophobicContact CD2-CB 3.96Å; L67-Q99 HydrophobicContact CD2-CG 4.16Å; Q99-V101 HydrophobicContact CG-CG2 4.14Å
100	Q	86.7	Confident	65.9	Low	107 Å²	107	75 Å²	75	50%	0.5	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.3	169.6	-49.6	-159.7	18	0	0	109.7	V54 R56	V54-Q100 HydrophobicContact CG1-CB 4.38Å; R56-Q100 HydrophobicContact CG-CG 4.07Å
101	V	82.6	Confident	64.9	Low	1 Å²	1	74.8 Å²	74.8	1%	0.006	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	109.5	-177.7	-176.4	0	0	0	0	108.6	V54 V55 V69 F84 W88 Q99 L103	V54-V101 WeakPolarHBondContact CA-O 3.41Å; V55-V101 PolarHBondContact N-O 3.3Å; V55-V101 PolarHBondContact O-N 3.18Å; V69-V101 HydrophobicContact CG2-CG2 4.29Å; F84-V101 HydrophobicContact CE1-CG1 3.8Å; F84-V101 HydrophobicContact CZ-CG1 3.79Å; W88-V101 HydrophobicContact CH2-CB 4.24Å; W88-V101 HydrophobicContact CH2-CG1 3.77Å; W88-V101 HydrophobicContact CH2-CG2 3.43Å; W88-V101 VanDerWaalsContact CH2-CG2 3.43Å; W88-V101 HydrophobicContact CZ2-CG1 4.39Å; W88-V101 HydrophobicContact CZ2-CG2 4.01Å; W88-V101 HydrophobicContact CZ3-CG2 4.1Å; Q99-V101 HydrophobicContact CG-CG2 4.14Å; V101-L103 HydrophobicContact CG1-CD2 4.19Å; V101-L103 PolarHBondContact O-N 2.99Å
102	L	83.2	Confident	64.2	Low	77 Å²	77	75.9 Å²	75.9	40%	0.403	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.7	167.9	-174.3	71.1	0	0	0	108.7	G52 V54 R104	G52-L102 WeakPolarHBondContact O-CD1 3.24Å; V54-L102 HydrophobicContact CG2-CD1 3.73Å; L102-R104 PolarHBondContact O-N 2.99Å
103	L	77.9	Confident	63.1	Low	0 Å²	0	78.6 Å²	78.6	0%	0	40%	0.402	C	S	.	.			trans	-77.6	116.9	173.9	-57.4	-178.6	0	0	0	108.7	V49 G52 S53 V55 V71 F84 V101 L129	V49-L103 HydrophobicContact CG1-CD1 3.77Å; G52-L103 WeakPolarHBondContact CA-O 3.26Å; G52-L103 PolarHBondContact N-O 3.14Å; S53-L103 WeakPolarHBondContact O-CB 3.43Å; S53-L103 PolarHBondContact O-N 3.38Å; V55-L103 HydrophobicContact CG2-CD1 3.7Å; V55-L103 HydrophobicContact CG2-CD2 4.4Å; V55-L103 HydrophobicContact CG2-CG 4.06Å; V71-L103 HydrophobicContact CG2-CD1 4.15Å; V71-L103 HydrophobicContact CG2-CD2 3.83Å; F84-L103 HydrophobicContact CD1-CD2 3.77Å; F84-L103 HydrophobicContact CE1-CD2 3.62Å; F84-L103 HydrophobicContact CG-CD2 4.36Å; F84-L103 HydrophobicContact CZ-CD2 4.07Å; V101-L103 HydrophobicContact CG1-CD2 4.19Å; V101-L103 PolarHBondContact O-N 2.99Å; L103-L129 HydrophobicContact CD1-CD2 4.19Å; L103-L129 HydrophobicContact CD2-CD2 4.44Å
104	R	69.3	Low	61.9	Low	186 Å²	186	87.5 Å²	87.5	70%	0.702	43%	0.428	S	S	*	.			trans	-105.8	113.1	165.7	-72.1	-172	179.2	178.5	-0.9	108.4	D51 F84 L102	D51-R104 WeakPolarHBondContact OD1-CA 3.33Å; F84-R104 WeakPolarHBondContact CD2-O 3.16Å; L102-R104 PolarHBondContact O-N 2.99Å
105	L	60.9	Low	60.6	Low	16 Å²	16	87.9 Å²	87.9	8%	0.084	42%	0.423	C	S	.	.			trans	-102.3	146.6	-173.9	-66.5	179.2	0	0	0	111.4	V49 D51 V71 V83 F84	V49-L105 HydrophobicContact CG1-CD1 3.9Å; D51-L105 PolarHBondContact OD1-N 3.07Å; V71-L105 HydrophobicContact CB-CD2 4.42Å; V71-L105 HydrophobicContact CG1-CD2 4.2Å; V71-L105 HydrophobicContact CG2-CD2 4.37Å; V83-L105 HydrophobicContact CG2-CD2 4.16Å; F84-L105 HydrophobicContact CB-CD2 4.11Å
106	P	52.4	Low	59	Low	45 Å²	45	95.9 Å²	95.9	29%	0.292	44%	0.444	S	S	.	.			trans	-60.5	142.1	174.7	-22	32.8	0	0	0	111.9	V83 S108 V109	V83-P106 HydrophobicContact CB-CG 4.44Å; P106-S108 PolarHBondContact O-N 2.95Å; P106-V109 HydrophobicContact CB-CG2 4.26Å; P106-V109 HydrophobicContact CG-CG2 4.33Å; P106-V109 WeakPolarHBondContact O-CB 3.32Å; P106-V109 PolarHBondContact O-N 3.27Å
107	P	49	Very low	57	Low	99 Å²	99	100.7 Å²	100.7	64%	0.643	46%	0.461	S	S	*	.	H	α-helix	trans	-57.3	-21.8	178.2	-26.5	34.7	0	0	0	114.8	V109 S110 H111	P107-V109 VanDerWaalsContact C-N 3.26Å; P107-V109 PolarHBondContact O-N 2.91Å; P107-S110 PolarHBondContact O-N 3.2Å; P107-S110 PolarHBondContact O-OG 2.92Å; P107-H111 PolarHBondContact O-N 3.38Å
108	S	48.9	Very low	54.9	Low	103 Å²	103	104.8 Å²	104.8	72%	0.72	49%	0.485	S	S	*	.	H	α-helix	trans	-71.5	-14.2	175.2	49	0	0	0	0	114.3	P106	P106-S108 PolarHBondContact O-N 2.95Å
109	V	51	Low	52.6	Low	16 Å²	16	104.7 Å²	104.7	10%	0.097	50%	0.497	C	S	.	.	H	α-helix	trans	-92	-23.6	177.8	-176.6	0	0	0	0	111.7	L73 V83 P106 P107	L73-V109 HydrophobicContact CD1-CB 4.29Å; L73-V109 HydrophobicContact CD1-CG1 3.62Å; L73-V109 HydrophobicContact CD1-CG2 3.71Å; L73-V109 HydrophobicContact CD2-CG1 4.05Å; L73-V109 HydrophobicContact CG-CG1 4.47Å; V83-V109 HydrophobicContact CB-CG2 4.2Å; V83-V109 HydrophobicContact CG1-CG2 4Å; V83-V109 HydrophobicContact CG2-CG2 4.38Å; P106-V109 HydrophobicContact CB-CG2 4.26Å; P106-V109 HydrophobicContact CG-CG2 4.33Å; P106-V109 WeakPolarHBondContact O-CB 3.32Å; P106-V109 PolarHBondContact O-N 3.27Å; P107-V109 VanDerWaalsContact C-N 3.26Å; P107-V109 PolarHBondContact O-N 2.91Å
110	S	45.3	Very low	50.4	Low	27 Å²	27	108.6 Å²	108.6	19%	0.189	53%	0.529	C	S	.	.	H	α-helix	trans	-97.7	-16.7	-175.3	47.4	0	0	0	0	114.7	P107	P107-S110 PolarHBondContact O-N 3.2Å; P107-S110 PolarHBondContact O-OG 2.92Å
111	H	43.8	Very low	48	Very low	91 Å²	91	108 Å²	108	42%	0.421	54%	0.543	S	S	.	.			trans	-108.6	125.5	-178.4	-80.4	-43.9	0	0	0	114.3	P107 L159	P107-H111 PolarHBondContact O-N 3.38Å; H111-L159 PolarHBondContact CE1-O 3.23Å
112	H	38.4	Very low	46.2	Very low	118 Å²	118	110.8 Å²	110.8	55%	0.546	57%	0.565	S	S	.	*			trans	-93.5	98.5	174.6	-157.7	-3.4	0	0	0	110.2	R114 D123	H112-R114 PolarHBondContact O-N 3.26Å; H112-D123 IonicContact CE1-OD1 3.94Å
113	H	36	Very low	44.4	Very low	155 Å²	155	111.3 Å²	111.3	72%	0.718	57%	0.568	S	S	*	*			trans	-75.4	106.2	177.2	-129.4	-37.8	0	0	0	110.8	R115	H113-R115 VanDerWaalsContact C-N 3.34Å; H113-R115 PolarHBondContact O-N 3.08Å
114	R	31.6	Very low	43.2	Very low	243 Å²	243	113.7 Å²	113.7	92%	0.917	58%	0.583	S	S	*	*			trans	-84.5	74.4	164.1	-106.6	-168.5	176.8	-170.5	0.3	110.3	H112	H112-R114 PolarHBondContact O-N 3.26Å
115	R	34.3	Very low	42.4	Very low	171 Å²	171	111.5 Å²	111.5	65%	0.645	58%	0.581	S	S	*	*			trans	-136.2	124.8	158.8	-85.7	-167.2	172.1	-172.7	-4.2	110	H113 F117	H113-R115 VanDerWaalsContact C-N 3.34Å; H113-R115 PolarHBondContact O-N 3.08Å; R115-F117 PolarHBondContact O-N 3.45Å
116	R	33.8	Very low	42.5	Very low	242 Å²	242	114.1 Å²	114.1	91%	0.913	60%	0.595	S	S	*	*			trans	-72.4	103.7	167.3	-75.5	175.9	174.6	155.7	-3.9	108.1
117	F	30.6	Very low	43.4	Very low	203 Å²	203	112.1 Å²	112.1	89%	0.89	58%	0.582	S	S	*	*			trans	-156.1	164	144.8	-92.2	-66.3	0	0	0	108.3	R115	R115-F117 PolarHBondContact O-N 3.45Å
118	H	30.1	Very low	44.6	Very low	193 Å²	193	108.4 Å²	108.4	89%	0.894	56%	0.557	S	S	*	*	S	Bend	trans	-59.3	135.2	-155.8	-87.4	-103.7	0	0	0	116.7
119	G	35.8	Very low	46	Very low	64 Å²	64	103.5 Å²	103.5	66%	0.66	52%	0.523	S	S	*	.	S	Bend	trans	98	120.2	148.5	0	0	0	0	0	117.4	A121	G119-A121 PolarHBondContact O-N 2.99Å
120	S	36.8	Very low	47.5	Very low	124 Å²	124	105.2 Å²	105.2	87%	0.867	53%	0.53	S	S	*	.			trans	65.2	16.7	157.9	70.2	0	0	0	0	121.8	A122	S120-A122 PolarHBondContact O-N 3.44Å
121	A	37.3	Very low	49.2	Very low	95 Å²	95	104 Å²	104	79%	0.785	52%	0.521	S	S	*	.			trans	-70.8	116	156.4	0	0	0	0	0	109.9	G119	G119-A121 PolarHBondContact O-N 2.99Å
122	A	43.7	Very low	51	Low	58 Å²	58	101.9 Å²	101.9	48%	0.479	51%	0.51	S	S	.	.			trans	-96.8	120.9	-172.3	0	0	0	0	0	112.4	T75 S120 T124	T75-A122 HydrophobicContact CG2-CB 3.65Å; S120-A122 PolarHBondContact O-N 3.44Å; A122-T124 PolarHBondContact O-N 2.96Å
123	D	45.7	Very low	52.9	Low	88 Å²	88	96.3 Å²	96.3	47%	0.471	48%	0.484	S	S	.	.			trans	-65.8	101.2	169.3	-77.5	-39.9	0	0	0	110.2	L76 H112	L76-D123 HydrophobicContact CD1-CB 4.01Å; L76-D123 HydrophobicContact CG-CB 4.45Å; H112-D123 IonicContact CE1-OD1 3.94Å
124	T	51.9	Low	54.8	Low	51 Å²	51	89.3 Å²	89.3	31%	0.313	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110	174.2	45.4	0	0	0	0	109.7	L73 T75 A122	L73-T124 HydrophobicContact CB-CG2 3.98Å; L73-T124 HydrophobicContact CD1-CG2 4.06Å; L73-T124 HydrophobicContact CG-CG2 4.47Å; T75-T124 HydrophobicContact CG2-CG2 3.7Å; A122-T124 PolarHBondContact O-N 2.96Å
125	Q	52.6	Low	56.7	Low	139 Å²	139	80.9 Å²	80.9	65%	0.65	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	-32.8	178.8	-64	-168.2	3.8	0	0	112.9
126	N	63	Low	58	Low	71 Å²	71	77.1 Å²	77.1	38%	0.38	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.7	-175.4	-65.9	-33.7	0	0	0	110.9	S74 V151	S74-N126 PolarHBondContact N-O 3.47Å; N126-V151 HydrophobicContact CB-CG1 4.02Å
127	V	70.9	Confident	59.1	Low	3 Å²	3	70.1 Å²	70.1	2%	0.018	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.2	179.7	-179.2	0	0	0	0	109.2	V71 V72 L73 V151 Q152 V154	V71-V127 HydrophobicContact CG1-CG1 3.31Å; V72-V127 CarbonylContact O-C 3.55Å; V72-V127 WeakPolarHBondContact O-CA 3.42Å; L73-V127 HydrophobicContact CD2-CB 4.14Å; L73-V127 HydrophobicContact CD2-CG1 3.93Å; L73-V127 HydrophobicContact CD2-CG2 3.34Å; V127-V151 CarbonylContact O-C 3.47Å; V127-V151 WeakPolarHBondContact O-CA 3.36Å; V127-Q152 PolarHBondContact N-O 2.87Å; V127-Q152 PolarHBondContact O-N 2.86Å; V127-V154 HydrophobicContact CG2-CB 4.43Å; V127-V154 HydrophobicContact CG2-CG2 3.41Å; V127-V154 VanDerWaalsContact CG2-CG2 3.41Å
128	T	76	Confident	60	Low	21 Å²	21	71.5 Å²	71.5	13%	0.129	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	108.5	174.8	21.7	0	0	0	0	109.4	V72 V151	V72-T128 PolarHBondContact N-O 3.44Å; V72-T128 PolarHBondContact O-N 3.23Å; V72-T128 PolarHBondContact O-OG1 2.66Å; T128-V151 HydrophobicContact CG2-CG2 3.82Å
129	L	78	Confident	60.8	Low	0 Å²	0	64.4 Å²	64.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	119.8	163.2	-91.5	161	0	0	0	108.1	F42 V45 V49 V55 E70 V71 L103 H149 K150	F42-L129 HydrophobicContact CZ-CB 4.25Å; V45-L129 HydrophobicContact CG1-CD1 3.46Å; V45-L129 VanDerWaalsContact CG1-CD1 3.46Å; V49-L129 HydrophobicContact CG2-CD1 3.91Å; V55-L129 HydrophobicContact CG2-CD1 3.92Å; V55-L129 HydrophobicContact CG2-CD2 4.12Å; E70-L129 WeakPolarHBondContact O-CA 3.24Å; V71-L129 HydrophobicContact CG2-CD2 3.74Å; L103-L129 HydrophobicContact CD1-CD2 4.19Å; L103-L129 HydrophobicContact CD2-CD2 4.44Å; L129-H149 CarbonylContact O-C 3.52Å; L129-H149 VanDerWaalsContact O-CA 3.26Å; L129-H149 WeakPolarHBondContact O-CA 3.48Å; L129-K150 PolarHBondContact N-O 3.01Å; L129-K150 PolarHBondContact O-N 3.19Å
130	Q	82.9	Confident	61.3	Low	53 Å²	53	67.8 Å²	67.8	25%	0.248	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.1	178.8	-61.7	-178.3	-6.8	0	0	109.2	V69 E70 V72 W132 I148 H149	V69-Q130 WeakPolarHBondContact CA-O 3.4Å; E70-Q130 PolarHBondContact N-O 3.19Å; E70-Q130 PolarHBondContact O-N 2.86Å; V72-Q130 HydrophobicContact CG2-CG 4.27Å; Q130-W132 HydrophobicContact CB-CE3 4.32Å; Q130-W132 HydrophobicContact CB-CZ3 4.14Å; Q130-I148 WeakPolarHBondContact CA-O 3.31Å; Q130-H149 HydrophobicContact CG-CB 4.08Å
131	A	80.5	Confident	61.5	Low	0 Å²	0	69.9 Å²	69.9	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	136.7	171.1	0	0	0	0	0	109.8	I40 F42 V57 A68 V69 G147 I148	I40-A131 HydrophobicContact CD1-CB 3.96Å; F42-A131 HydrophobicContact CE1-CB 4.02Å; F42-A131 HydrophobicContact CZ-CB 3.76Å; V57-A131 HydrophobicContact CG1-CB 4.17Å; V57-A131 HydrophobicContact CG2-CB 4.38Å; A68-A131 CarbonylContact O-C 3.37Å; A68-A131 VanDerWaalsContact O-CA 3.23Å; A68-A131 WeakPolarHBondContact O-CA 3.31Å; V69-A131 HydrophobicContact CG2-CB 4.05Å; A131-G147 WeakPolarHBondContact O-CA 3.33Å; A131-I148 HydrophobicContact CB-CD1 4.4Å; A131-I148 HydrophobicContact CB-CG1 4.04Å; A131-I148 PolarHBondContact N-O 3Å; A131-I148 WeakPolarHBondContact O-CG1 3.3Å; A131-I148 PolarHBondContact O-N 2.73Å
132	W	81.8	Confident	61.9	Low	48 Å²	48	71.4 Å²	71.4	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	165	-178	67.8	85	0	0	0	112.8	A68 E70 Q130 D134 A146	A68-W132 HydrophobicContact CB-CD2 3.89Å; A68-W132 HydrophobicContact CB-CG 4.23Å; A68-W132 HydrophobicContact CB-CZ2 4.03Å; A68-W132 PolarHBondContact N-O 3.35Å; A68-W132 PolarHBondContact O-N 3.45Å; E70-W132 HydrophobicContact CB-CZ3 4.32Å; E70-W132 HydrophobicContact CG-CH2 3.84Å; E70-W132 HydrophobicContact CG-CZ3 3.85Å; E70-W132 WeakPolarHBondContact OE1-CH2 3.35Å; E70-W132 WeakPolarHBondContact OE1-CZ2 3.27Å; E70-W132 WeakPolarHBondContact OE2-CH2 3.27Å; Q130-W132 HydrophobicContact CB-CE3 4.32Å; Q130-W132 HydrophobicContact CB-CZ3 4.14Å; W132-D134 PolarHBondContact NE1-OD1 3.26Å; W132-D134 PolarHBondContact NE1-OD2 3.2Å; W132-A146 VanDerWaalsContact CA-O 3.26Å; W132-A146 WeakPolarHBondContact CA-O 3.44Å; W132-A146 WeakPolarHBondContact CB-O 3.44Å
133	L	78.5	Confident	62.1	Low	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.4	175.9	-61.7	175.5	0	0	0	110.1	I40 Y59 L67 A146	I40-L133 HydrophobicContact CB-CD1 4.03Å; I40-L133 HydrophobicContact CB-CG 4.2Å; I40-L133 HydrophobicContact CD1-CD2 4.25Å; I40-L133 HydrophobicContact CD1-CG 4.02Å; I40-L133 HydrophobicContact CG2-CD1 4.47Å; Y59-L133 HydrophobicContact CD2-CD2 3.71Å; Y59-L133 HydrophobicContact CE2-CD2 4.41Å; Y59-L133 HydrophobicContact CG-CD2 4.37Å; L67-L133 HydrophobicContact CB-CD2 4.03Å; L67-L133 HydrophobicContact CD1-CD2 3.82Å; L133-A146 PolarHBondContact N-O 3.44Å
134	D	75.9	Confident	62.4	Low	8 Å²	8	70.8 Å²	70.8	4%	0.043	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138.4	167.6	-61.1	-36.5	0	0	0	108.5	C65 Q66 K87 W132 I142	C65-D134 CarbonylContact C-O 3.5Å; C65-D134 VanDerWaalsContact CA-O 3.31Å; C65-D134 WeakPolarHBondContact CA-O 3.4Å; Q66-D134 HydrophobicContact CB-CB 4.34Å; Q66-D134 PolarHBondContact N-O 2.85Å; Q66-D134 PolarHBondContact O-N 3.28Å; K87-D134 IonicContact NZ-OD2 3.55Å; K87-D134 PolarHBondContact NZ-OD2 3.45Å; W132-D134 PolarHBondContact NE1-OD1 3.26Å; W132-D134 PolarHBondContact NE1-OD2 3.2Å; D134-I142 HydrophobicContact CB-CG2 4.29Å
135	Y	70.9	Confident	62.7	Low	67 Å²	67	74 Å²	74	26%	0.263	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	143.1	173.6	-66.8	-72.7	0	0	0	111.5	S38 R63 C65 T137 V145	S38-Y135 WeakPolarHBondContact CB-OH 3.27Å; S38-Y135 PolarHBondContact OG-OH 3.35Å; R63-Y135 HydrophobicContact CB-CD1 4.13Å; R63-Y135 HydrophobicContact CB-CE1 4.28Å; C65-Y135 HydrophobicContact CB-CD1 4.3Å; Y135-T137 PolarHBondContact O-N 2.87Å; Y135-V145 HydrophobicContact CE2-CB 4.5Å
136	L	61.7	Low	63	Low	91 Å²	91	68.8 Å²	68.8	48%	0.476	39%	0.391	S	S	.	.			trans	-88.9	98	178.4	-69	164.5	0	0	0	110.9	P64 I89	P64-L136 PolarHBondContact O-N 2.87Å; I89-L136 HydrophobicContact CG2-CD1 3.66Å
137	T	56.3	Low	62.9	Low	95 Å²	95	68.2 Å²	68.2	58%	0.583	40%	0.401	S	S	*	.			trans	-87.3	155.9	166.9	45.7	0	0	0	0	110.6	Y135 G139	Y135-T137 PolarHBondContact O-N 2.87Å; T137-G139 PolarHBondContact O-N 3.47Å; T137-G139 VanDerWaalsContact O-N 3.11Å; T137-G139 PolarHBondContact OG1-O 3.31Å
138	K	50.1	Low	62.9	Low	233 Å²	233	70.1 Å²	70.1	100%	1.013	41%	0.411	S	S	*	.	S	Bend	trans	-77	15.8	-177.7	-90.1	-171.4	173.5	-175.3	0	114.8
139	G	45.7	Very low	62.7	Low	44 Å²	44	75.7 Å²	75.7	45%	0.454	44%	0.435	S	S	.	.	S	Bend	trans	-152.1	146.2	178.2	0	0	0	0	0	109.9	T137 E141	T137-G139 PolarHBondContact O-N 3.47Å; T137-G139 VanDerWaalsContact O-N 3.11Å; T137-G139 PolarHBondContact OG1-O 3.31Å; G139-E141 PolarHBondContact O-N 3.41Å
140	S	45.9	Very low	62.2	Low	134 Å²	134	79.4 Å²	79.4	94%	0.937	45%	0.452	S	S	*	.	S	Bend	trans	-74.4	45.7	-158.1	-49.1	0	0	0	0	116.9
141	E	42.7	Very low	61.5	Low	168 Å²	168	80.9 Å²	80.9	79%	0.785	46%	0.464	S	S	*	.			trans	-113.9	118.7	171.1	-68.5	-168.9	165	0	0	111	G139 G143	G139-E141 PolarHBondContact O-N 3.41Å; E141-G143 PolarHBondContact O-N 3.17Å
142	I	44.1	Very low	61.1	Low	128 Å²	128	82.1 Å²	82.1	66%	0.656	47%	0.47	S	S	*	.			trans	-89.8	99.4	-177.1	-57.6	172.7	0	0	0	109.2	D134 S144	D134-I142 HydrophobicContact CB-CG2 4.29Å; I142-S144 PolarHBondContact O-N 3.43Å
143	G	48.2	Very low	60	Low	45 Å²	45	88.3 Å²	88.3	46%	0.464	49%	0.493	S	S	.	.			trans	-86.7	100	169	0	0	0	0	0	111.7	E141 V145	E141-G143 PolarHBondContact O-N 3.17Å; G143-V145 PolarHBondContact O-N 2.93Å
144	S	52.1	Low	59	Low	88 Å²	88	90.3 Å²	90.3	62%	0.615	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	109.4	174.4	60	0	0	0	0	110.9	I142	I142-S144 PolarHBondContact O-N 3.43Å
145	V	58	Low	57.8	Low	117 Å²	117	92.3 Å²	92.3	71%	0.709	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	-25	-172.6	-175.9	0	0	0	0	113.7	Y135 G143	Y135-V145 HydrophobicContact CE2-CB 4.5Å; G143-V145 PolarHBondContact O-N 2.93Å
146	A	59.8	Low	56.6	Low	31 Å²	31	98.8 Å²	98.8	26%	0.256	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	111.6	-179.3	0	0	0	0	0	112	I40 W132 L133	I40-A146 HydrophobicContact CG2-CB 4.23Å; W132-A146 VanDerWaalsContact CA-O 3.26Å; W132-A146 WeakPolarHBondContact CA-O 3.44Å; W132-A146 WeakPolarHBondContact CB-O 3.44Å; L133-A146 PolarHBondContact N-O 3.44Å
147	G	61.2	Low	55.6	Low	58 Å²	58	98.1 Å²	98.1	60%	0.598	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.5	176.9	0	0	0	0	0	112.3	A131	A131-G147 WeakPolarHBondContact O-CA 3.33Å
148	I	70.4	Confident	54.8	Low	43 Å²	43	99.3 Å²	99.3	22%	0.221	55%	0.55	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122	148.2	174.8	57.3	173.1	0	0	0	109.9	I40 G41 F42 Q130 A131	I40-I148 HydrophobicContact CG1-CD1 3.93Å; I40-I148 HydrophobicContact CG1-CG1 4.26Å; I40-I148 HydrophobicContact CG2-CG2 4.21Å; G41-I148 VanDerWaalsContact CA-CD1 3.43Å; F42-I148 HydrophobicContact CD2-CD1 3.51Å; F42-I148 HydrophobicContact CD2-CG1 4.13Å; F42-I148 HydrophobicContact CE2-CB 4.45Å; F42-I148 HydrophobicContact CE2-CD1 3.66Å; F42-I148 HydrophobicContact CE2-CG1 3.78Å; F42-I148 HydrophobicContact CG-CD1 4Å; F42-I148 HydrophobicContact CZ-CD1 4.26Å; F42-I148 HydrophobicContact CZ-CG1 4.34Å; F42-I148 VanDerWaalsContact N-CD1 3.31Å; Q130-I148 WeakPolarHBondContact CA-O 3.31Å; A131-I148 HydrophobicContact CB-CD1 4.4Å; A131-I148 HydrophobicContact CB-CG1 4.04Å; A131-I148 PolarHBondContact N-O 3Å; A131-I148 WeakPolarHBondContact O-CG1 3.3Å; A131-I148 PolarHBondContact O-N 2.73Å
149	H	71.1	Confident	54.2	Low	138 Å²	138	94.3 Å²	94.3	64%	0.639	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.6	175.5	60.2	-90.6	0	0	0	110.8	L129 Q130	L129-H149 CarbonylContact O-C 3.52Å; L129-H149 VanDerWaalsContact O-CA 3.26Å; L129-H149 WeakPolarHBondContact O-CA 3.48Å; Q130-H149 HydrophobicContact CG-CB 4.08Å
150	K	69.3	Low	53.7	Low	79 Å²	79	100.1 Å²	100.1	34%	0.343	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.7	173.5	-166.7	179.9	-179.4	-167.1	0	109.5	F42 V45 L129	F42-K150 HydrophobicContact CD2-CB 4.24Å; F42-K150 HydrophobicContact CE2-CB 4.15Å; V45-K150 HydrophobicContact CB-CD 3.98Å; V45-K150 HydrophobicContact CG1-CD 4.15Å; V45-K150 HydrophobicContact CG2-CD 3.92Å; L129-K150 PolarHBondContact N-O 3.01Å; L129-K150 PolarHBondContact O-N 3.19Å
151	V	66.9	Low	53.4	Low	83 Å²	83	97.3 Å²	97.3	50%	0.503	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.1	176.7	-169.3	0	0	0	0	109.2	N126 V127 T128	N126-V151 HydrophobicContact CB-CG1 4.02Å; V127-V151 CarbonylContact O-C 3.47Å; V127-V151 WeakPolarHBondContact O-CA 3.36Å; T128-V151 HydrophobicContact CG2-CG2 3.82Å
152	Q	72.4	Confident	53.3	Low	26 Å²	26	92.3 Å²	92.3	12%	0.121	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	165.7	-177.3	-142.9	65.2	58.4	0	0	110.4	P46 D47 V49 V127	P46-Q152 WeakPolarHBondContact O-CG 3.48Å; D47-Q152 WeakPolarHBondContact O-CG 3.4Å; D47-Q152 PolarHBondContact O-NE2 2.77Å; V49-Q152 HydrophobicContact CG2-CB 4.06Å; V49-Q152 HydrophobicContact CG2-CG 4.15Å; V127-Q152 PolarHBondContact N-O 2.87Å; V127-Q152 PolarHBondContact O-N 2.86Å
153	R	58.6	Low	53.1	Low	179 Å²	179	93.1 Å²	93.1	68%	0.675	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	151.6	178	-67.9	-178	178.7	170.7	1.5	111.2	K48 V49	K48-R153 CarbonylContact C-O 3.58Å; K48-R153 WeakPolarHBondContact CA-O 3.49Å; V49-R153 PolarHBondContact N-O 2.72Å
154	V	56.7	Low	52.8	Low	41 Å²	41	92.3 Å²	92.3	25%	0.248	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	144	174	157.9	0	0	0	0	111.6	V49 V127	V49-V154 HydrophobicContact CB-CG2 4.44Å; V49-V154 VanDerWaalsContact O-CA 3.3Å; V49-V154 WeakPolarHBondContact O-CA 3.46Å; V127-V154 HydrophobicContact CG2-CB 4.43Å; V127-V154 HydrophobicContact CG2-CG2 3.41Å; V127-V154 VanDerWaalsContact CG2-CG2 3.41Å
155	V	50.7	Low	52.5	Low	51 Å²	51	91.1 Å²	91.1	31%	0.309	51%	0.505	S	S	.	.			trans	-75.7	124.5	168.8	-173	0	0	0	0	109.3	K48 V49 A50 L157	K48-V155 HydrophobicContact CB-CG2 3.36Å; K48-V155 HydrophobicContact CD-CG2 3.93Å; K48-V155 HydrophobicContact CG-CG2 4.28Å; V49-V155 PolarHBondContact O-N 3.26Å; V49-V155 VanDerWaalsContact O-N 3.09Å; A50-V155 HydrophobicContact CB-CB 4.22Å; A50-V155 HydrophobicContact CB-CG2 4.12Å; V155-L157 PolarHBondContact O-N 3.23Å
156	R	45.9	Very low	51.8	Low	202 Å²	202	90.8 Å²	90.8	76%	0.762	51%	0.514	S	S	*	.			trans	-71.8	110.3	165	-68.5	179.9	178.5	167.7	-1.6	108.6
157	L	41.5	Very low	51.3	Low	78 Å²	78	93 Å²	93	41%	0.408	54%	0.54	S	S	.	.			trans	-78.3	125.3	172.8	-79.3	161.3	0	0	0	109.7	V155	V155-L157 PolarHBondContact O-N 3.23Å
158	S	39.3	Very low	50.8	Low	120 Å²	120	91.1 Å²	91.1	84%	0.839	52%	0.518	S	S	*	.			trans	-99.6	24	177.7	60	0	0	0	0	112.8
159	L	38.4	Very low	49.9	Very low	128 Å²	128	92.1 Å²	92.1	67%	0.67	53%	0.527	S	S	*	.			trans	-108.1	130.3	179.3	-79	157.2	0	0	0	109.3	H111	H111-L159 PolarHBondContact CE1-O 3.23Å
160	W	34.9	Very low	48.9	Very low	165 Å²	165	88.2 Å²	88.2	63%	0.625	52%	0.515	S	S	*	.			trans	-68.3	152.6	170.3	-75.2	63.6	0	0	0	109.8	W171 L175	W160-W171 HydrophobicContact CE3-CB 3.67Å; W160-W171 HydrophobicContact CE3-CD2 4.17Å; W160-W171 AromaticContact CE3-CG 3.7Å; W160-W171 HydrophobicContact CE3-CG 3.7Å; W160-W171 HydrophobicContact CZ3-CB 3.59Å; W160-W171 AromaticContact CZ3-CD2 3.91Å; W160-W171 HydrophobicContact CZ3-CD2 3.91Å; W160-W171 HydrophobicContact CZ3-CE3 4.01Å; W160-W171 AromaticContact CZ3-CG 3.76Å; W160-W171 HydrophobicContact CZ3-CG 3.76Å; W160-L175 HydrophobicContact CH2-CD1 4.1Å
161	P	38.5	Very low	47.9	Very low	76 Å²	76	90.3 Å²	90.3	49%	0.494	52%	0.521	S	S	.	.			trans	-56.6	155.4	170	-22.6	34	0	0	0	111.8
162	G	40.6	Very low	46.9	Very low	63 Å²	63	90.5 Å²	90.5	65%	0.649	53%	0.526	S	S	*	.	S	Bend	trans	-59.6	176.3	-175.4	0	0	0	0	0	115.2	A164	G162-A164 PolarHBondContact O-N 3.01Å
163	T	41.2	Very low	45.8	Very low	144 Å²	144	91.2 Å²	91.2	88%	0.883	54%	0.536	S	S	*	.			trans	-27.4	123.3	178.3	46.9	0	0	0	0	114.3
164	A	41.3	Very low	45.3	Very low	28 Å²	28	84.4 Å²	84.4	23%	0.231	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-55.4	149.5	172.5	0	0	0	0	0	111	G162 C168	G162-A164 PolarHBondContact O-N 3.01Å; A164-C168 HydrophobicContact CB-CB 4.42Å
165	P	46.3	Very low	44.8	Very low	64 Å²	64	86.4 Å²	86.4	42%	0.416	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-59.6	148.7	177.6	25.3	-34.2	0	0	0	111.3	G167 C168	P165-G167 PolarHBondContact O-N 3.17Å; P165-C168 HydrophobicContact CG-CB 4.24Å; P165-C168 PolarHBondContact O-N 3.2Å
166	A	42	Very low	44.8	Very low	109 Å²	109	86.4 Å²	86.4	90%	0.901	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	126.6	179.7	0	0	0	0	0	110.7
167	G	49.8	Very low	44.8	Very low	77 Å²	77	78.6 Å²	78.6	79%	0.794	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	-14.5	-175	0	0	0	0	0	115.1	P165	P165-G167 PolarHBondContact O-N 3.17Å
168	C	50.4	Low	45	Very low	20 Å²	20	79.5 Å²	79.5	14%	0.135	50%	0.503	C	S	.	.	S	Bend	trans	-92.9	142	168	-71.3	0	0	0	0	111.3	A164 P165 C188	A164-C168 HydrophobicContact CB-CB 4.42Å; P165-C168 HydrophobicContact CG-CB 4.24Å; P165-C168 PolarHBondContact O-N 3.2Å; C168-C188 WeakPolarHBondContact CB-SG 3.4Å; C168-C188 WeakPolarHBondContact SG-CB 3.4Å; C168-C188 CovalentContact SG-SG 2.04Å; C168-C188 PolarHBondContact SG-SG 2.62Å
169	P	50.9	Low	45.5	Very low	63 Å²	63	79.6 Å²	79.6	41%	0.409	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-59.2	148	168	-9.4	20.1	0	0	0	109.5	A173 Q174	P169-A173 HydrophobicContact CB-CB 3.72Å; P169-Q174 HydrophobicContact CB-CG 3.89Å; P169-Q174 HydrophobicContact CG-CG 4.07Å; P169-Q174 PolarHBondContact O-NE2 2.69Å; P169-Q174 VanDerWaalsContact O-NE2 3.11Å
170	S	51.6	Low	46	Very low	56 Å²	56	79.3 Å²	79.3	39%	0.392	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-54.2	154.2	171.9	62.7	0	0	0	0	110.7	S172 A173 Q174	S170-S172 PolarHBondContact O-N 2.87Å; S170-S172 VanDerWaalsContact O-N 3.07Å; S170-S172 PolarHBondContact OG-OG 3.31Å; S170-A173 CarbonylContact O-C 3.49Å; S170-A173 WeakPolarHBondContact O-CA 3.31Å; S170-A173 PolarHBondContact O-N 3.43Å; S170-A173 WeakPolarHBondContact OG-CB 3.43Å; S170-A173 PolarHBondContact OG-N 2.84Å; S170-Q174 PolarHBondContact O-N 3.37Å
171	W	47.7	Very low	46.4	Very low	123 Å²	123	73.7 Å²	73.7	47%	0.466	48%	0.483	S	S	.	.	H	α-helix	trans	-53.1	-33.4	176.6	-74.1	115.3	0	0	0	113.1	W160 L175	W160-W171 HydrophobicContact CE3-CB 3.67Å; W160-W171 HydrophobicContact CE3-CD2 4.17Å; W160-W171 AromaticContact CE3-CG 3.7Å; W160-W171 HydrophobicContact CE3-CG 3.7Å; W160-W171 HydrophobicContact CZ3-CB 3.59Å; W160-W171 AromaticContact CZ3-CD2 3.91Å; W160-W171 HydrophobicContact CZ3-CD2 3.91Å; W160-W171 HydrophobicContact CZ3-CE3 4.01Å; W160-W171 AromaticContact CZ3-CG 3.76Å; W160-W171 HydrophobicContact CZ3-CG 3.76Å; W171-L175 VanDerWaalsContact O-CB 3.32Å; W171-L175 WeakPolarHBondContact O-CB 3.38Å; W171-L175 PolarHBondContact O-N 3.43Å
172	S	46.1	Very low	46.7	Very low	88 Å²	88	77.9 Å²	77.9	62%	0.615	50%	0.501	S	S	*	.	H	α-helix	trans	-66.9	-41.3	172.3	48.5	0	0	0	0	113.5	S170 L175 A176	S170-S172 PolarHBondContact O-N 2.87Å; S170-S172 VanDerWaalsContact O-N 3.07Å; S170-S172 PolarHBondContact OG-OG 3.31Å; S172-L175 PolarHBondContact O-N 2.79Å; S172-A176 WeakPolarHBondContact O-CB 3.5Å; S172-A176 PolarHBondContact O-N 2.86Å
173	A	49	Very low	46.7	Very low	41 Å²	41	81.1 Å²	81.1	34%	0.339	50%	0.504	S	S	.	.	H	α-helix	trans	-70.9	-37.2	176.2	0	0	0	0	0	112.4	P169 S170 A176 A177	P169-A173 HydrophobicContact CB-CB 3.72Å; S170-A173 CarbonylContact O-C 3.49Å; S170-A173 WeakPolarHBondContact O-CA 3.31Å; S170-A173 PolarHBondContact O-N 3.43Å; S170-A173 WeakPolarHBondContact OG-CB 3.43Å; S170-A173 PolarHBondContact OG-N 2.84Å; A173-A176 PolarHBondContact O-N 3.27Å; A173-A177 WeakPolarHBondContact O-CB 3.1Å; A173-A177 PolarHBondContact O-N 3.41Å
174	Q	48.5	Very low	46.6	Very low	35 Å²	35	84.2 Å²	84.2	16%	0.164	50%	0.499	C	S	.	.	H	α-helix	trans	-63.9	-40.7	172.2	-66.3	-173.7	9.2	0	0	111.7	P169 S170 A177 W178	P169-Q174 HydrophobicContact CB-CG 3.89Å; P169-Q174 HydrophobicContact CG-CG 4.07Å; P169-Q174 PolarHBondContact O-NE2 2.69Å; P169-Q174 VanDerWaalsContact O-NE2 3.11Å; S170-Q174 PolarHBondContact O-N 3.37Å; Q174-A177 PolarHBondContact O-N 2.96Å; Q174-W178 WeakPolarHBondContact O-CB 3.11Å; Q174-W178 PolarHBondContact O-N 2.78Å
175	L	46.8	Very low	46.7	Very low	83 Å²	83	87.9 Å²	87.9	44%	0.435	51%	0.514	S	S	.	.	H	α-helix	trans	-68.9	-38.1	177.8	-154.4	118	0	0	0	111.6	W160 W171 S172 W178 L179	W160-L175 HydrophobicContact CH2-CD1 4.1Å; W171-L175 VanDerWaalsContact O-CB 3.32Å; W171-L175 WeakPolarHBondContact O-CB 3.38Å; W171-L175 PolarHBondContact O-N 3.43Å; S172-L175 PolarHBondContact O-N 2.79Å; L175-W178 PolarHBondContact O-N 3.48Å; L175-L179 HydrophobicContact CD2-CD1 4Å; L175-L179 WeakPolarHBondContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CD1 3.39Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.31Å; L175-L179 PolarHBondContact O-N 3.01Å
176	A	49.2	Very low	46.5	Very low	51 Å²	51	92.3 Å²	92.3	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-64.8	-43.8	172.7	0	0	0	0	0	112.1	S172 A173 L179 T180	S172-A176 WeakPolarHBondContact O-CB 3.5Å; S172-A176 PolarHBondContact O-N 2.86Å; A173-A176 PolarHBondContact O-N 3.27Å; A176-L179 PolarHBondContact O-N 3.32Å; A176-T180 WeakPolarHBondContact O-CG2 3.47Å; A176-T180 PolarHBondContact O-N 3.24Å; A176-T180 VanDerWaalsContact O-N 3.16Å; A176-T180 PolarHBondContact O-OG1 3.25Å
177	A	47.3	Very low	46.6	Very low	39 Å²	39	95.8 Å²	95.8	32%	0.322	53%	0.526	S	S	.	.	H	α-helix	trans	-65.4	-37.6	175.9	0	0	0	0	0	112.7	A173 Q174 L179 T180 S181	A173-A177 WeakPolarHBondContact O-CB 3.1Å; A173-A177 PolarHBondContact O-N 3.41Å; Q174-A177 PolarHBondContact O-N 2.96Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-T180 PolarHBondContact O-N 2.87Å; A177-T180 PolarHBondContact O-OG1 3.23Å; A177-S181 WeakPolarHBondContact O-CB 3.13Å; A177-S181 PolarHBondContact O-N 2.84Å; A177-S181 PolarHBondContact O-OG 3.12Å
178	W	45	Very low	46.4	Very low	97 Å²	97	94.5 Å²	94.5	37%	0.367	51%	0.505	S	S	.	.	H	α-helix	trans	-68.7	-30.8	174.7	179.3	68.1	0	0	0	112.6	Q174 L175 D183	Q174-W178 WeakPolarHBondContact O-CB 3.11Å; Q174-W178 PolarHBondContact O-N 2.78Å; L175-W178 PolarHBondContact O-N 3.48Å; W178-D183 PolarHBondContact NE1-OD1 3.05Å
179	L	50.7	Low	46.5	Very low	122 Å²	122	98.5 Å²	98.5	64%	0.639	53%	0.53	S	S	*	.	H	α-helix	trans	-76.6	-18.9	174.2	-73.6	167.6	0	0	0	113.7	L175 A176 A177	L175-L179 HydrophobicContact CD2-CD1 4Å; L175-L179 WeakPolarHBondContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CD1 3.39Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.31Å; L175-L179 PolarHBondContact O-N 3.01Å; A176-L179 PolarHBondContact O-N 3.32Å; A177-L179 VanDerWaalsContact C-N 3.33Å
180	T	47.4	Very low	46.8	Very low	121 Å²	121	103.9 Å²	103.9	74%	0.742	55%	0.55	S	S	*	.	H	α-helix	trans	-112	-13.8	-176.6	55.4	0	0	0	0	114.8	A176 A177	A176-T180 WeakPolarHBondContact O-CG2 3.47Å; A176-T180 PolarHBondContact O-N 3.24Å; A176-T180 VanDerWaalsContact O-N 3.16Å; A176-T180 PolarHBondContact O-OG1 3.25Å; A177-T180 PolarHBondContact O-N 2.87Å; A177-T180 PolarHBondContact O-OG1 3.23Å
181	S	43.6	Very low	47.7	Very low	47 Å²	47	104.4 Å²	104.4	33%	0.329	55%	0.546	S	S	.	.	S	Bend	trans	-124	134.7	177.6	69	0	0	0	0	111.4	A177 D183	A177-S181 WeakPolarHBondContact O-CB 3.13Å; A177-S181 PolarHBondContact O-N 2.84Å; A177-S181 PolarHBondContact O-OG 3.12Å; S181-D183 PolarHBondContact O-N 3.1Å
182	N	44.9	Very low	49.1	Very low	164 Å²	164	101.8 Å²	101.8	88%	0.877	55%	0.546	S	S	*	.	S	Bend	trans	-56.3	86.5	-173.9	-72.5	-22.7	0	0	0	113.6	R184	N182-R184 PolarHBondContact O-N 2.96Å
183	D	40.1	Very low	50.9	Low	132 Å²	132	100 Å²	100	71%	0.706	53%	0.53	S	S	*	.	S	Bend	trans	51.3	19.6	173	-82.5	-47.6	0	0	0	116.9	W178 S181 I185	W178-D183 PolarHBondContact NE1-OD1 3.05Å; S181-D183 PolarHBondContact O-N 3.1Å; D183-I185 PolarHBondContact O-N 3.31Å
184	R	39.7	Very low	52.9	Low	209 Å²	209	100.2 Å²	100.2	79%	0.789	53%	0.527	S	S	*	.			trans	-95.5	89.1	176.4	-71.9	-171.5	-179.4	-171.7	0.7	111.6	N182 H186	N182-R184 PolarHBondContact O-N 2.96Å; R184-H186 PolarHBondContact O-N 3.3Å
185	I	42.7	Very low	54.9	Low	104 Å²	104	100.6 Å²	100.6	53%	0.533	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-71.3	117.8	166.6	-56.4	175.2	0	0	0	108.1	D183 Q187	D183-I185 PolarHBondContact O-N 3.31Å; I185-Q187 PolarHBondContact O-N 2.84Å
186	H	43.3	Very low	57	Low	158 Å²	158	99.8 Å²	99.8	73%	0.731	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-59.5	118.1	167.3	-76.3	-84.7	0	0	0	109.1	R184 C188	R184-H186 PolarHBondContact O-N 3.3Å; H186-C188 PolarHBondContact O-N 2.97Å
187	Q	43.6	Very low	59.1	Low	181 Å²	181	97.4 Å²	97.4	85%	0.846	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-61.5	122.1	174.9	-75.4	176.1	-31.8	0	0	109.2	I185	I185-Q187 PolarHBondContact O-N 2.84Å
188	C	46	Very low	61.3	Low	50 Å²	50	95.7 Å²	95.7	34%	0.338	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-59.1	136	165.5	-88	0	0	0	0	108.7	C168 H186 H190	C168-C188 WeakPolarHBondContact CB-SG 3.4Å; C168-C188 WeakPolarHBondContact SG-CB 3.4Å; C168-C188 CovalentContact SG-SG 2.04Å; C168-C188 PolarHBondContact SG-SG 2.62Å; H186-C188 PolarHBondContact O-N 2.97Å; C188-H190 PolarHBondContact O-N 3.24Å
189	P	51.4	Low	63.4	Low	104 Å²	104	97 Å²	97	68%	0.675	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-58.7	128.6	173.9	24.8	-32.9	0	0	0	109.3
190	H	58.7	Low	65.4	Low	177 Å²	177	91.4 Å²	91.4	82%	0.819	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-65	137.2	173.3	-76	-92.3	0	0	0	109.4	C188 S192	C188-H190 PolarHBondContact O-N 3.24Å; H190-S192 PolarHBondContact O-N 2.87Å; H190-S192 VanDerWaalsContact O-N 3.12Å
191	E	69.7	Low	67.7	Low	66 Å²	66	85.7 Å²	85.7	31%	0.308	44%	0.437	S	S	.	.			trans	-64.6	111.9	171.5	-174.6	173.1	-147.5	0	0	108.8	F218 I219 S220 L223	E191-F218 HydrophobicContact CG-CD1 3.99Å; E191-F218 WeakPolarHBondContact OE1-CA 3.37Å; E191-I219 PolarHBondContact OE1-N 2.98Å; E191-I219 PolarHBondContact OE2-N 3.31Å; E191-S220 WeakPolarHBondContact OE2-CB 3.47Å; E191-S220 PolarHBondContact OE2-N 3.32Å; E191-L223 HydrophobicContact CB-CD1 4.34Å; E191-L223 HydrophobicContact CG-CD1 4.42Å
192	S	78.1	Confident	70.2	Confident	68 Å²	68	83.7 Å²	83.7	48%	0.476	42%	0.422	S	S	.	.			trans	-76.8	135.1	-178.9	178.8	0	0	0	0	110.8	H190 V194	H190-S192 PolarHBondContact O-N 2.87Å; H190-S192 VanDerWaalsContact O-N 3.12Å; S192-V194 VanDerWaalsContact C-N 3.32Å; S192-V194 PolarHBondContact OG-N 3.37Å; S192-V194 VanDerWaalsContact OG-N 3.08Å; S192-V194 PolarHBondContact OG-O 3.15Å
193	D	83.8	Confident	72.7	Confident	51 Å²	51	76.1 Å²	76.1	27%	0.273	38%	0.383	S	S	.	.	S	Bend	trans	-79	-17.6	167.1	65.5	-54.2	0	0	0	112.5	F218 R367 L368	D193-F218 HydrophobicContact CB-CZ 4.44Å; D193-R367 VanDerWaalsContact O-CB 3.32Å; D193-R367 WeakPolarHBondContact O-CB 3.45Å; D193-R367 VanDerWaalsContact O-CG 3.27Å; D193-R367 WeakPolarHBondContact O-CG 3.48Å; D193-R367 PolarHBondContact O-N 3.48Å; D193-L368 HydrophobicContact CB-CB 4.27Å; D193-L368 HydrophobicContact CB-CD1 3.94Å; D193-L368 HydrophobicContact CB-CG 3.98Å
194	V	89.6	Confident	75.3	Confident	45 Å²	45	70.1 Å²	70.1	27%	0.273	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.2	172.3	-167.2	0	0	0	0	110.3	S192 Y365 Y366	S192-V194 VanDerWaalsContact C-N 3.32Å; S192-V194 PolarHBondContact OG-N 3.37Å; S192-V194 VanDerWaalsContact OG-N 3.08Å; S192-V194 PolarHBondContact OG-O 3.15Å; V194-Y365 CarbonylContact C-O 3.58Å; V194-Y365 WeakPolarHBondContact CA-O 2.94Å; V194-Y366 HydrophobicContact CB-CD1 4.34Å; V194-Y366 HydrophobicContact CB-CE1 4.49Å; V194-Y366 HydrophobicContact CG1-CD1 3.97Å; V194-Y366 HydrophobicContact CG1-CE1 3.8Å; V194-Y366 HydrophobicContact CG1-CG 4.48Å; V194-Y366 HydrophobicContact CG2-CD1 3.56Å; V194-Y366 HydrophobicContact CG2-CE1 3.82Å; V194-Y366 HydrophobicContact CG2-CG 4.49Å
195	V	90.6	Very high	77.8	Confident	43 Å²	43	61 Å²	61	26%	0.261	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.3	176.2	-167.9	0	0	0	0	110.5	L197 F215 Y365 R367	V195-L197 HydrophobicContact CG1-CD2 4.47Å; V195-L197 PolarHBondContact O-N 2.94Å; V195-F215 HydrophobicContact CB-CE1 4.14Å; V195-F215 HydrophobicContact CG1-CE1 3.97Å; V195-F215 HydrophobicContact CG2-CE1 4.14Å; V195-Y365 PolarHBondContact N-O 2.53Å; V195-Y365 PolarHBondContact O-N 3.32Å; V195-R367 HydrophobicContact CG2-CG 4.34Å
196	D	91.4	Very high	80.2	Confident	66 Å²	66	56.7 Å²	56.7	35%	0.353	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	104.8	168.6	-60.1	-48	0	0	0	109.2	K199 F363 K364	D196-K199 HydrophobicContact CB-CD 4.27Å; D196-K199 HydrophobicContact CB-CG 3.79Å; D196-K199 WeakPolarHBondContact OD2-CE 3.05Å; D196-K199 IonicContact OD2-NZ 2.68Å; D196-K199 PolarHBondContact OD2-NZ 2.95Å; D196-F363 CarbonylContact C-O 3.55Å; D196-K364 VanDerWaalsContact OD1-CE 3.29Å; D196-K364 WeakPolarHBondContact OD1-CE 3.46Å
197	L	92.5	Very high	82.5	Confident	2 Å²	2	53 Å²	53	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-28.8	176.6	-74.4	-174	0	0	0	113.3	V195 R213 F215 I256 I347 F363	V195-L197 HydrophobicContact CG1-CD2 4.47Å; V195-L197 PolarHBondContact O-N 2.94Å; L197-R213 HydrophobicContact CD2-CB 4.04Å; L197-R213 HydrophobicContact CD2-CG 3.92Å; L197-R213 PolarHBondContact O-NE 2.04Å; L197-R213 VanDerWaalsContact O-NE 3.15Å; L197-R213 PolarHBondContact O-NH2 3.2Å; L197-F215 HydrophobicContact CD1-CZ 4.3Å; L197-F215 HydrophobicContact CD2-CE1 3.73Å; L197-F215 HydrophobicContact CD2-CZ 3.55Å; L197-F215 HydrophobicContact CG-CZ 4.29Å; L197-I256 HydrophobicContact CD1-CD1 4.34Å; L197-I347 HydrophobicContact CB-CD1 3.94Å; L197-I347 HydrophobicContact CD1-CD1 4.44Å; L197-F363 HydrophobicContact CB-CB 3.96Å; L197-F363 HydrophobicContact CB-CD2 3.93Å; L197-F363 HydrophobicContact CB-CG 3.98Å; L197-F363 HydrophobicContact CD1-CD2 3.75Å; L197-F363 HydrophobicContact CD1-CE2 3.77Å; L197-F363 HydrophobicContact CD1-CG 4.38Å; L197-F363 HydrophobicContact CD1-CZ 4.41Å; L197-F363 HydrophobicContact CG-CD2 4.31Å; L197-F363 PolarHBondContact N-O 3.19Å
198	L	94	Very high	84.8	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	128.9	170.1	-63.9	175.9	0	0	0	109.3	L202 V211 I347 F360 P362 F363 M577	L198-L202 HydrophobicContact CD1-CB 4.17Å; L198-L202 HydrophobicContact CD1-CD2 4.27Å; L198-L202 HydrophobicContact CD2-CB 4.39Å; L198-L202 HydrophobicContact CD2-CD2 4.49Å; L198-V211 HydrophobicContact CD2-CG1 4.49Å; L198-V211 HydrophobicContact CD2-CG2 4.39Å; L198-I347 HydrophobicContact CD1-CD1 4.23Å; L198-I347 HydrophobicContact CD1-CG2 4.04Å; L198-I347 HydrophobicContact CD2-CD1 4.22Å; L198-I347 HydrophobicContact CG-CD1 3.89Å; L198-F360 HydrophobicContact CD1-CB 3.67Å; L198-F360 HydrophobicContact CD1-CG 4.5Å; L198-P362 WeakPolarHBondContact O-CA 3.43Å; L198-F363 HydrophobicContact CB-CB 3.79Å; L198-F363 HydrophobicContact CD1-CB 4.07Å; L198-F363 HydrophobicContact CG-CB 3.93Å; L198-F363 PolarHBondContact N-O 3.17Å; L198-F363 VanDerWaalsContact N-O 3.17Å; L198-F363 PolarHBondContact O-N 2.94Å; L198-F363 VanDerWaalsContact O-N 3.1Å; L198-M577 HydrophobicContact CD2-CE 3.48Å; L198-M577 VanDerWaalsContact CD2-CE 3.48Å
199	K	89.8	Confident	87	Confident	125 Å²	125	47.5 Å²	47.5	54%	0.543	25%	0.252	S	S	.	.	S	Bend	trans	-105.8	-13.5	177.9	-63.8	-173.2	-179.7	-165.1	0	114.2	D196	D196-K199 HydrophobicContact CB-CD 4.27Å; D196-K199 HydrophobicContact CB-CG 3.79Å; D196-K199 WeakPolarHBondContact OD2-CE 3.05Å; D196-K199 IonicContact OD2-NZ 2.68Å; D196-K199 PolarHBondContact OD2-NZ 2.95Å
200	F	93.4	Very high	88.9	Confident	5 Å²	5	43 Å²	43	2%	0.022	22%	0.224	C	C	.	.	S	Bend	trans	-141.1	150.6	-176.8	-177.5	-92.1	0	0	0	108.3	L202 P379 H542 L546 H564 F571 P572	F200-L202 PolarHBondContact O-N 2.8Å; F200-P379 HydrophobicContact CD2-CG 3.97Å; F200-P379 HydrophobicContact CE2-CG 4.23Å; F200-H542 AromaticContact CE2-CE1 3.76Å; F200-H542 AromaticContact CE2-ND1 3.4Å; F200-H542 WeakPolarHBondContact CE2-ND1 3.08Å; F200-H542 HydrophobicContact CZ-CB 4.14Å; F200-H542 AromaticContact CZ-CG 3.89Å; F200-H542 AromaticContact CZ-ND1 3.61Å; F200-L546 HydrophobicContact CE1-CD1 4.36Å; F200-L546 HydrophobicContact CE1-CD2 4.35Å; F200-H564 AromaticContact CD1-CE1 3.65Å; F200-H564 AromaticContact CD1-NE2 3.81Å; F200-F571 HydrophobicContact CD1-CD1 4.15Å; F200-F571 AromaticContact CE1-CD1 3.45Å; F200-F571 HydrophobicContact CE1-CD1 3.45Å; F200-F571 VanDerWaalsContact CE1-CD1 3.45Å; F200-F571 AromaticContact CE1-CE1 3.55Å; F200-F571 HydrophobicContact CE1-CE1 3.55Å; F200-F571 HydrophobicContact CE2-CD1 4.49Å; F200-F571 AromaticContact CZ-CD1 3.65Å; F200-F571 HydrophobicContact CZ-CD1 3.65Å; F200-F571 AromaticContact CZ-CE1 3.67Å; F200-F571 HydrophobicContact CZ-CE1 3.67Å; F200-F571 HydrophobicContact CZ-CG 4.48Å; F200-F571 HydrophobicContact CZ-CZ 4.49Å; F200-P572 HydrophobicContact CB-CG 3.55Å; F200-P572 HydrophobicContact CG-CG 4.2Å
201	P	95.1	Very high	90.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-59.6	131.4	-178.3	-25.8	35	0	0	0	113.5	F360 L546	P201-F360 CarbonylContact C-O 3.29Å; P201-F360 WeakPolarHBondContact CA-O 3.12Å; P201-L546 HydrophobicContact CB-CD1 3.89Å; P201-L546 HydrophobicContact CG-CD1 4.46Å; P201-L546 WeakPolarHBondContact O-CD2 3.34Å
202	L	95.8	Very high	91.8	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.7	172.5	165.9	73.2	0	0	0	108.7	L198 F200 V211 Y359 F360 M577 Y581	L198-L202 HydrophobicContact CD1-CB 4.17Å; L198-L202 HydrophobicContact CD1-CD2 4.27Å; L198-L202 HydrophobicContact CD2-CB 4.39Å; L198-L202 HydrophobicContact CD2-CD2 4.49Å; F200-L202 PolarHBondContact O-N 2.8Å; L202-V211 HydrophobicContact CD1-CG2 3.73Å; L202-V211 HydrophobicContact CD2-CB 4.44Å; L202-V211 HydrophobicContact CD2-CG2 3.6Å; L202-V211 HydrophobicContact CG-CG2 4.28Å; L202-Y359 CarbonylContact O-C 3.56Å; L202-Y359 VanDerWaalsContact O-CA 3.3Å; L202-Y359 WeakPolarHBondContact O-CA 3.47Å; L202-F360 HydrophobicContact CB-CB 4.25Å; L202-F360 HydrophobicContact CD2-CB 4.46Å; L202-F360 HydrophobicContact CD2-CD2 3.98Å; L202-F360 HydrophobicContact CD2-CG 4.43Å; L202-F360 HydrophobicContact CG-CD2 4.46Å; L202-F360 PolarHBondContact N-O 3.46Å; L202-F360 PolarHBondContact O-N 2.73Å; L202-M577 HydrophobicContact CB-CE 4.21Å; L202-M577 HydrophobicContact CD1-CG 4.05Å; L202-M577 HydrophobicContact CD1-SD 4.37Å; L202-Y581 HydrophobicContact CD1-CE1 4.05Å; L202-Y581 HydrophobicContact CD1-CE2 4.41Å
203	A	96.4	Very high	92.6	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.1	169.1	0	0	0	0	0	110.5	Y359 L546 A549 A550 Y581	A203-Y359 HydrophobicContact CB-CD1 4.12Å; A203-Y359 HydrophobicContact CB-CE1 4.16Å; A203-L546 HydrophobicContact CB-CD2 3.94Å; A203-A549 HydrophobicContact CB-CB 3.69Å; A203-A550 HydrophobicContact CB-CB 4.03Å; A203-Y581 HydrophobicContact CB-CE1 4.14Å; A203-Y581 PolarHBondContact N-OH 3.45Å; A203-Y581 WeakPolarHBondContact O-CE1 3.33Å
204	S	95.5	Very high	92.9	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.4	178.4	-164.5	0	0	0	0	110.3	F356 A357 G358	S204-F356 VanDerWaalsContact CB-O 3.29Å; S204-F356 WeakPolarHBondContact CB-O 2.99Å; S204-F356 PolarHBondContact OG-O 2.89Å; S204-F356 VanDerWaalsContact OG-O 3.07Å; S204-A357 WeakPolarHBondContact O-CA 3.43Å; S204-G358 PolarHBondContact N-O 3.3Å; S204-G358 PolarHBondContact O-N 3.34Å
205	T	93.4	Very high	92.9	Very high	17 Å²	17	29.5 Å²	29.5	10%	0.104	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-18.9	-172.2	55.8	0	0	0	0	113.2	E207 A549 D552 L557 N584	T205-E207 PolarHBondContact OG1-N 3.46Å; T205-A549 WeakPolarHBondContact CG2-O 3.46Å; T205-D552 WeakPolarHBondContact CB-OD1 3.39Å; T205-D552 HydrophobicContact CG2-CB 3.89Å; T205-D552 VanDerWaalsContact CG2-OD1 3.28Å; T205-D552 WeakPolarHBondContact CG2-OD1 3.47Å; T205-L557 HydrophobicContact CG2-CD2 4.11Å; T205-N584 PolarHBondContact OG1-ND2 2.97Å
206	G	91.5	Very high	92.7	Very high	14 Å²	14	37 Å²	37	14%	0.144	17%	0.169	C	C	.	.	S	Bend	trans	92.2	2.1	-168.4	0	0	0	0	0	114.5	P354 G355 F356	G206-P354 WeakPolarHBondContact O-CB 3.45Å; G206-G355 CarbonylContact C-O 3.56Å; G206-G355 VanDerWaalsContact CA-O 3.32Å; G206-G355 WeakPolarHBondContact CA-O 3.47Å; G206-F356 PolarHBondContact N-O 3.47Å
207	E	92.2	Very high	92.6	Very high	81 Å²	81	37.5 Å²	37.5	38%	0.379	18%	0.176	S	C	.	.	S	Bend	trans	-92.5	-175.7	178	-71.6	-59.2	150.7	0	0	113.1	T205 F209 P354 G355	T205-E207 PolarHBondContact OG1-N 3.46Å; E207-F209 HydrophobicContact CB-CD2 4.01Å; E207-F209 HydrophobicContact CB-CE2 4.48Å; E207-F209 PolarHBondContact O-N 2.92Å; E207-P354 WeakPolarHBondContact O-CA 3.36Å; E207-G355 PolarHBondContact O-N 3.39Å
208	H	92.8	Very high	92.1	Very high	70 Å²	70	37.9 Å²	37.9	32%	0.324	18%	0.177	S	C	.	.	S	Bend	trans	-80.9	29.9	-173.9	-61.4	78.2	0	0	0	113.8	G350	H208-G350 WeakPolarHBondContact CB-O 3.33Å; H208-G350 CarbonylContact O-C 3.51Å; H208-G350 WeakPolarHBondContact O-CA 3.34Å
209	F	91.2	Very high	91.4	Very high	46 Å²	46	44.3 Å²	44.3	20%	0.202	21%	0.21	C	C	.	.			trans	-131.8	149.7	-174	-54.3	-77.5	0	0	0	111.4	E207 G349 N584	E207-F209 HydrophobicContact CB-CD2 4.01Å; E207-F209 HydrophobicContact CB-CE2 4.48Å; E207-F209 PolarHBondContact O-N 2.92Å; F209-G349 CarbonylContact C-O 3.58Å; F209-G349 WeakPolarHBondContact O-CA 3Å; F209-G349 PolarHBondContact O-N 3.07Å; F209-N584 HydrophobicContact CB-CB 3.81Å; F209-N584 HydrophobicContact CD1-CB 4.38Å; F209-N584 HydrophobicContact CD2-CB 3.65Å; F209-N584 HydrophobicContact CE2-CB 4.39Å; F209-N584 HydrophobicContact CG-CB 3.66Å
210	G	91.8	Very high	90.8	Very high	9 Å²	9	40.3 Å²	40.3	9%	0.093	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-173.8	-168.7	0	0	0	0	0	111.6	I347 G349 G580	G210-I347 WeakPolarHBondContact CA-O 3.25Å; G210-G349 VanDerWaalsContact CA-O 3.23Å; G210-G349 WeakPolarHBondContact CA-O 3.47Å; G210-G349 PolarHBondContact N-O 3.43Å; G210-G580 WeakPolarHBondContact O-CA 3.23Å
211	V	95.1	Very high	89.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123	-172.1	-179.8	0	0	0	0	110.2	L198 L202 R213 V346 I347 D576 M577	L198-V211 HydrophobicContact CD2-CG1 4.49Å; L198-V211 HydrophobicContact CD2-CG2 4.39Å; L202-V211 HydrophobicContact CD1-CG2 3.73Å; L202-V211 HydrophobicContact CD2-CB 4.44Å; L202-V211 HydrophobicContact CD2-CG2 3.6Å; L202-V211 HydrophobicContact CG-CG2 4.28Å; V211-R213 HydrophobicContact CG1-CG 4.25Å; V211-V346 WeakPolarHBondContact O-CA 3.47Å; V211-I347 HydrophobicContact CB-CB 4.42Å; V211-I347 PolarHBondContact N-O 3.02Å; V211-I347 VanDerWaalsContact N-O 3.1Å; V211-I347 PolarHBondContact O-N 3.11Å; V211-D576 HydrophobicContact CG1-CB 3.85Å; V211-M577 HydrophobicContact CG2-CB 4.44Å; V211-M577 HydrophobicContact CG2-CG 4.4Å
212	V	94.3	Very high	89	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.1	179.4	175.5	0	0	0	0	110	Y344 F345 V346 Y579 T796 R804	V212-Y344 HydrophobicContact CG1-CD2 3.89Å; V212-Y344 HydrophobicContact CG1-CG 4.31Å; V212-F345 WeakPolarHBondContact CA-O 3.41Å; V212-V346 HydrophobicContact CG2-CG2 4.48Å; V212-Y579 HydrophobicContact CG2-CE1 4.04Å; V212-T796 HydrophobicContact CG1-CG2 3.95Å; V212-R804 PolarHBondContact O-NH2 2.95Å; V212-R804 VanDerWaalsContact O-NH2 3.07Å
213	R	93.4	Very high	88.3	Confident	33 Å²	33	47.1 Å²	47.1	13%	0.125	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.2	179.1	-64.4	-71.7	-158.3	-155.5	-4.4	109.6	L197 V211 F345 D574 D576	L197-R213 HydrophobicContact CD2-CB 4.04Å; L197-R213 HydrophobicContact CD2-CG 3.92Å; L197-R213 PolarHBondContact O-NE 2.04Å; L197-R213 VanDerWaalsContact O-NE 3.15Å; L197-R213 PolarHBondContact O-NH2 3.2Å; V211-R213 HydrophobicContact CG1-CG 4.25Å; R213-F345 PolarHBondContact N-O 3.45Å; R213-F345 PolarHBondContact O-N 3Å; R213-D574 IonicContact CZ-OD1 3.77Å; R213-D574 IonicContact CZ-OD2 3.51Å; R213-D574 IonicContact NH1-OD1 3.06Å; R213-D574 PolarHBondContact NH1-OD1 2.82Å; R213-D574 IonicContact NH1-OD2 3.97Å; R213-D574 PolarHBondContact NH1-OD2 2.95Å; R213-D574 IonicContact NH2-OD1 3.65Å; R213-D574 PolarHBondContact NH2-OD1 2.93Å; R213-D574 IonicContact NH2-OD2 2.89Å; R213-D574 PolarHBondContact NH2-OD2 3.4Å; R213-D576 WeakPolarHBondContact CD-OD2 3.41Å; R213-D576 IonicContact CZ-OD2 3.71Å; R213-D576 IonicContact NE-OD2 3.81Å; R213-D576 VanDerWaalsContact NH1-CB 3.31Å; R213-D576 IonicContact NH1-OD2 2.71Å; R213-D576 PolarHBondContact NH1-OD2 2.93Å
214	R	91.4	Very high	87.8	Confident	62 Å²	62	48.3 Å²	48.3	23%	0.234	26%	0.255	C	S	.	.			trans	-121.1	122.7	173.8	-177.5	161	-168.4	169.5	7.2	109.7	E261 G343 G797	R214-E261 IonicContact CZ-OE1 2.78Å; R214-E261 IonicContact NH2-OE1 3.23Å; R214-E261 PolarHBondContact NH2-OE1 3.35Å; R214-G343 WeakPolarHBondContact CD-O 2.99Å; R214-G343 VanDerWaalsContact CG-O 3.26Å; R214-G343 WeakPolarHBondContact CG-O 3.01Å; R214-G343 PolarHBondContact NE-O 2.9Å; R214-G797 PolarHBondContact NH1-O 2.84Å
215	F	89.4	Confident	87.2	Confident	21 Å²	21	55.5 Å²	55.5	9%	0.092	28%	0.281	C	S	.	.			trans	-80	161.6	174.4	-57.2	-62.1	0	0	0	111	V195 L197 D340 F345 Y365	V195-F215 HydrophobicContact CB-CE1 4.14Å; V195-F215 HydrophobicContact CG1-CE1 3.97Å; V195-F215 HydrophobicContact CG2-CE1 4.14Å; L197-F215 HydrophobicContact CD1-CZ 4.3Å; L197-F215 HydrophobicContact CD2-CE1 3.73Å; L197-F215 HydrophobicContact CD2-CZ 3.55Å; L197-F215 HydrophobicContact CG-CZ 4.29Å; F215-D340 WeakPolarHBondContact CB-O 3.37Å; F215-D340 WeakPolarHBondContact CD2-O 3.43Å; F215-F345 AromaticContact CD2-CD2 3.61Å; F215-F345 HydrophobicContact CD2-CD2 3.61Å; F215-F345 AromaticContact CD2-CE2 3.43Å; F215-F345 HydrophobicContact CD2-CE2 3.43Å; F215-F345 VanDerWaalsContact CD2-CE2 3.43Å; F215-F345 HydrophobicContact CD2-CZ 4.36Å; F215-F345 AromaticContact CE2-CD2 3.39Å; F215-F345 HydrophobicContact CE2-CD2 3.39Å; F215-F345 AromaticContact CE2-CE2 3.4Å; F215-F345 HydrophobicContact CE2-CE2 3.4Å; F215-F345 VanDerWaalsContact CE2-CE2 3.4Å; F215-F345 HydrophobicContact CE2-CG 4.08Å; F215-F345 HydrophobicContact CE2-CZ 4.06Å; F215-F345 HydrophobicContact CZ-CD2 4.47Å; F215-Y365 HydrophobicContact CD2-CD1 4.47Å; F215-Y365 HydrophobicContact CD2-CE1 4.02Å; F215-Y365 AromaticContact CE1-CD1 3.97Å; F215-Y365 HydrophobicContact CE1-CD1 3.97Å; F215-Y365 HydrophobicContact CE1-CE1 4.4Å; F215-Y365 AromaticContact CE2-CD1 3.54Å; F215-Y365 HydrophobicContact CE2-CD1 3.54Å; F215-Y365 AromaticContact CE2-CE1 3.38Å; F215-Y365 HydrophobicContact CE2-CE1 3.38Å; F215-Y365 AromaticContact CZ-CD1 3.23Å; F215-Y365 HydrophobicContact CZ-CD1 3.23Å; F215-Y365 AromaticContact CZ-CE1 3.6Å; F215-Y365 HydrophobicContact CZ-CE1 3.6Å; F215-Y365 HydrophobicContact CZ-CG 4.22Å
216	R	87.2	Confident	86.7	Confident	201 Å²	201	58.1 Å²	58.1	76%	0.758	30%	0.297	S	S	*	.			trans	-113.3	155.6	171	-67.3	-177.8	178	178.1	-0.5	109	R367	R216-R367 PolarHBondContact O-NH1 2.81Å; R216-R367 PolarHBondContact O-NH2 2.99Å
217	P	87.7	Confident	86.5	Confident	76 Å²	76	57.9 Å²	57.9	49%	0.494	29%	0.292	S	S	.	.			trans	-51.4	149.2	165.7	-26.1	35.7	0	0	0	111	I219 E224 T341	P217-I219 PolarHBondContact O-N 2.74Å; P217-E224 WeakPolarHBondContact CA-OE2 3.38Å; P217-T341 HydrophobicContact CG-CG2 4.33Å
218	F	83.6	Confident	86.3	Confident	11 Å²	11	58.7 Å²	58.7	5%	0.048	30%	0.299	C	S	.	.			trans	-64.5	134.9	176.9	-72	-80.5	0	0	0	110.2	E191 D193 S220 L223 E224 R227 R367 L368	E191-F218 HydrophobicContact CG-CD1 3.99Å; E191-F218 WeakPolarHBondContact OE1-CA 3.37Å; D193-F218 HydrophobicContact CB-CZ 4.44Å; F218-S220 PolarHBondContact O-N 3.33Å; F218-L223 HydrophobicContact CB-CB 3.85Å; F218-L223 HydrophobicContact CD1-CB 3.88Å; F218-L223 HydrophobicContact CD1-CD1 3.83Å; F218-L223 HydrophobicContact CD2-CB 3.91Å; F218-L223 HydrophobicContact CE1-CB 4.35Å; F218-L223 HydrophobicContact CE1-CD1 4.1Å; F218-L223 HydrophobicContact CE2-CB 4.38Å; F218-L223 HydrophobicContact CG-CB 3.63Å; F218-L223 HydrophobicContact CG-CD1 4.42Å; F218-E224 HydrophobicContact CB-CB 4.12Å; F218-E224 PolarHBondContact N-OE2 3.07Å; F218-R227 HydrophobicContact CD2-CB 4Å; F218-R227 HydrophobicContact CD2-CG 4.27Å; F218-R227 HydrophobicContact CE2-CB 3.97Å; F218-R227 HydrophobicContact CE2-CG 4.03Å; F218-R367 HydrophobicContact CE2-CB 4.41Å; F218-R367 HydrophobicContact CZ-CB 3.84Å; F218-R367 HydrophobicContact CZ-CG 4.34Å; F218-L368 HydrophobicContact CE2-CD2 4.27Å; F218-L368 HydrophobicContact CZ-CD1 4.43Å; F218-L368 HydrophobicContact CZ-CG 4.31Å
219	I	78.9	Confident	86	Confident	136 Å²	136	64 Å²	64	70%	0.697	32%	0.316	S	S	*	.	S	Bend	trans	-62.8	-36.4	172.3	-58.8	169.5	0	0	0	109.2	E191 P217 G221	E191-I219 PolarHBondContact OE1-N 2.98Å; E191-I219 PolarHBondContact OE2-N 3.31Å; P217-I219 PolarHBondContact O-N 2.74Å; I219-G221 PolarHBondContact O-N 3.26Å
220	S	76.5	Confident	85.6	Confident	41 Å²	41	62.5 Å²	62.5	29%	0.287	31%	0.312	S	S	.	.	S	Bend	trans	-72.8	104.3	172.8	-176.8	0	0	0	0	111.6	E191 F218 S222 L223 E224	E191-S220 WeakPolarHBondContact OE2-CB 3.47Å; E191-S220 PolarHBondContact OE2-N 3.32Å; F218-S220 PolarHBondContact O-N 3.33Å; S220-S222 PolarHBondContact O-N 3.33Å; S220-S222 PolarHBondContact OG-OG 3.49Å; S220-S222 VanDerWaalsContact OG-OG 3.04Å; S220-L223 PolarHBondContact O-N 3.36Å; S220-E224 PolarHBondContact O-N 3.26Å
221	G	74.9	Confident	85.4	Confident	47 Å²	47	62.9 Å²	62.9	49%	0.485	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	0.6	174.3	0	0	0	0	0	115.6	I219 R225	I219-G221 PolarHBondContact O-N 3.26Å; G221-R225 PolarHBondContact O-NE 3.01Å; G221-R225 PolarHBondContact O-NH2 3.36Å; G221-R225 VanDerWaalsContact O-NH2 3.14Å
222	S	75.3	Confident	84.9	Confident	64 Å²	64	66.5 Å²	66.5	45%	0.448	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-43.6	162.9	55.2	0	0	0	0	112.5	S220 R225 V226	S220-S222 PolarHBondContact O-N 3.33Å; S220-S222 PolarHBondContact OG-OG 3.49Å; S220-S222 VanDerWaalsContact OG-OG 3.04Å; S222-R225 PolarHBondContact O-N 3.38Å; S222-V226 PolarHBondContact O-N 3.4Å
223	L	81.6	Confident	84.6	Confident	43 Å²	43	72.5 Å²	72.5	23%	0.225	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-41.9	175.9	-60	179.2	0	0	0	110.4	E191 F218 S220 R225 V226 R227 L368	E191-L223 HydrophobicContact CB-CD1 4.34Å; E191-L223 HydrophobicContact CG-CD1 4.42Å; F218-L223 HydrophobicContact CB-CB 3.85Å; F218-L223 HydrophobicContact CD1-CB 3.88Å; F218-L223 HydrophobicContact CD1-CD1 3.83Å; F218-L223 HydrophobicContact CD2-CB 3.91Å; F218-L223 HydrophobicContact CE1-CB 4.35Å; F218-L223 HydrophobicContact CE1-CD1 4.1Å; F218-L223 HydrophobicContact CE2-CB 4.38Å; F218-L223 HydrophobicContact CG-CB 3.63Å; F218-L223 HydrophobicContact CG-CD1 4.42Å; S220-L223 PolarHBondContact O-N 3.36Å; L223-R225 PolarHBondContact O-N 2.54Å; L223-V226 WeakPolarHBondContact O-CA 3.43Å; L223-V226 WeakPolarHBondContact O-CB 3.47Å; L223-V226 PolarHBondContact O-N 3.37Å; L223-R227 PolarHBondContact O-N 3.03Å; L223-L368 HydrophobicContact CD2-CD1 3.93Å
224	E	85.7	Confident	84.4	Confident	29 Å²	29	71 Å²	71	14%	0.136	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-33.7	176.1	-171.8	56.1	-155.5	0	0	112.6	P217 F218 S220 V226 R227 L228	P217-E224 WeakPolarHBondContact CA-OE2 3.38Å; F218-E224 HydrophobicContact CB-CB 4.12Å; F218-E224 PolarHBondContact N-OE2 3.07Å; S220-E224 PolarHBondContact O-N 3.26Å; E224-V226 VanDerWaalsContact C-N 3.32Å; E224-V226 PolarHBondContact O-N 3.26Å; E224-R227 VanDerWaalsContact CD-NE 3.26Å; E224-R227 PolarHBondContact O-N 2.91Å; E224-R227 IonicContact OE1-CZ 2.63Å; E224-R227 IonicContact OE1-NE 3.3Å; E224-R227 PolarHBondContact OE1-NE 3.42Å; E224-R227 IonicContact OE1-NH2 3.57Å; E224-R227 PolarHBondContact OE1-NH2 3.34Å; E224-R227 WeakPolarHBondContact OE2-CD 3.3Å; E224-R227 IonicContact OE2-NE 3.47Å; E224-R227 PolarHBondContact OE2-NE 3.05Å; E224-L228 HydrophobicContact CG-CD1 4.14Å; E224-L228 HydrophobicContact CG-CG 4.48Å; E224-L228 WeakPolarHBondContact O-CB 3.41Å; E224-L228 VanDerWaalsContact O-CG 3.24Å; E224-L228 WeakPolarHBondContact O-CG 3.42Å; E224-L228 PolarHBondContact O-N 3.29Å
225	R	82.6	Confident	84.3	Confident	157 Å²	157	70.6 Å²	70.6	59%	0.592	36%	0.363	S	S	*	.	H	α-helix	trans	-73	-21.6	174.3	-85.2	-177.7	-70.7	130.2	0.1	113.9	G221 S222 L223 R229	G221-R225 PolarHBondContact O-NE 3.01Å; G221-R225 PolarHBondContact O-NH2 3.36Å; G221-R225 VanDerWaalsContact O-NH2 3.14Å; S222-R225 PolarHBondContact O-N 3.38Å; L223-R225 PolarHBondContact O-N 2.54Å; R225-R229 WeakPolarHBondContact O-CG 3.25Å
226	V	83.6	Confident	84.5	Confident	73 Å²	73	69.8 Å²	69.8	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-80.4	-47.8	171	-178.8	0	0	0	0	108.9	S222 L223 E224 L228 R229 A230 L368	S222-V226 PolarHBondContact O-N 3.4Å; L223-V226 WeakPolarHBondContact O-CA 3.43Å; L223-V226 WeakPolarHBondContact O-CB 3.47Å; L223-V226 PolarHBondContact O-N 3.37Å; E224-V226 VanDerWaalsContact C-N 3.32Å; E224-V226 PolarHBondContact O-N 3.26Å; V226-L228 PolarHBondContact O-N 3.17Å; V226-R229 WeakPolarHBondContact O-CB 3.38Å; V226-R229 PolarHBondContact O-N 3.27Å; V226-A230 PolarHBondContact O-N 3.47Å; V226-L368 HydrophobicContact CB-CD2 4.31Å; V226-L368 HydrophobicContact CG1-CD2 3.96Å
227	R	87.4	Confident	84.8	Confident	9 Å²	9	60.3 Å²	60.3	3%	0.034	32%	0.324	C	S	.	.	H	α-helix	trans	-51.2	-51.1	174.5	-163.7	-159.9	75.8	73.3	1.5	112.3	F218 L223 E224 R229 A230 V231 D339 D340 T341	F218-R227 HydrophobicContact CD2-CB 4Å; F218-R227 HydrophobicContact CD2-CG 4.27Å; F218-R227 HydrophobicContact CE2-CB 3.97Å; F218-R227 HydrophobicContact CE2-CG 4.03Å; L223-R227 PolarHBondContact O-N 3.03Å; E224-R227 VanDerWaalsContact CD-NE 3.26Å; E224-R227 PolarHBondContact O-N 2.91Å; E224-R227 IonicContact OE1-CZ 2.63Å; E224-R227 IonicContact OE1-NE 3.3Å; E224-R227 PolarHBondContact OE1-NE 3.42Å; E224-R227 IonicContact OE1-NH2 3.57Å; E224-R227 PolarHBondContact OE1-NH2 3.34Å; E224-R227 WeakPolarHBondContact OE2-CD 3.3Å; E224-R227 IonicContact OE2-NE 3.47Å; E224-R227 PolarHBondContact OE2-NE 3.05Å; R227-R229 PolarHBondContact O-N 3.22Å; R227-R229 VanDerWaalsContact O-N 3.09Å; R227-A230 WeakPolarHBondContact O-CA 3.42Å; R227-A230 WeakPolarHBondContact O-CB 3.3Å; R227-A230 PolarHBondContact O-N 3.21Å; R227-V231 PolarHBondContact O-N 2.98Å; R227-D339 IonicContact CZ-OD1 3.2Å; R227-D339 IonicContact NH1-OD1 3.94Å; R227-D339 PolarHBondContact NH1-OD1 3.3Å; R227-D339 IonicContact NH1-OD2 3.27Å; R227-D339 IonicContact NH2-OD1 3.68Å; R227-D339 IonicContact NH2-OD2 3.37Å; R227-D340 VanDerWaalsContact CD-OD1 3.24Å; R227-D340 WeakPolarHBondContact CD-OD1 3.5Å; R227-D340 WeakPolarHBondContact CG-OD1 3.22Å; R227-D340 IonicContact CZ-OD1 3.94Å; R227-D340 IonicContact NE-OD1 3.59Å; R227-D340 IonicContact NH1-OD1 2.7Å; R227-D340 PolarHBondContact NH1-OD1 3.49Å; R227-T341 VanDerWaalsContact CZ-OG1 3.26Å; R227-T341 PolarHBondContact NH1-OG1 2.94Å; R227-T341 VanDerWaalsContact NH1-OG1 3.16Å; R227-T341 PolarHBondContact NH2-OG1 2.02Å; R227-T341 VanDerWaalsContact NH2-OG1 3.17Å
228	L	87.7	Confident	85.1	Confident	98 Å²	98	56.9 Å²	56.9	51%	0.513	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-16.3	177.6	-73.9	169.1	0	0	0	114.9	E224 V226	E224-L228 HydrophobicContact CG-CD1 4.14Å; E224-L228 HydrophobicContact CG-CG 4.48Å; E224-L228 WeakPolarHBondContact O-CB 3.41Å; E224-L228 VanDerWaalsContact O-CG 3.24Å; E224-L228 WeakPolarHBondContact O-CG 3.42Å; E224-L228 PolarHBondContact O-N 3.29Å; V226-L228 PolarHBondContact O-N 3.17Å
229	R	86.1	Confident	85.7	Confident	182 Å²	182	56.4 Å²	56.4	69%	0.687	30%	0.299	S	S	*	.	H	α-helix	trans	-88.8	-37.3	169.6	-65.9	171.4	179.1	-173.6	-3.6	111.2	R225 V226 R227 V231 T232 E233	R225-R229 WeakPolarHBondContact O-CG 3.25Å; V226-R229 WeakPolarHBondContact O-CB 3.38Å; V226-R229 PolarHBondContact O-N 3.27Å; R227-R229 PolarHBondContact O-N 3.22Å; R227-R229 VanDerWaalsContact O-N 3.09Å; R229-V231 PolarHBondContact O-N 3.46Å; R229-V231 VanDerWaalsContact O-N 3.16Å; R229-T232 PolarHBondContact O-N 2.83Å; R229-T232 PolarHBondContact O-OG1 3.25Å; R229-E233 PolarHBondContact O-N 3.22Å
230	A	84.1	Confident	86.6	Confident	14 Å²	14	49.9 Å²	49.9	12%	0.116	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-15.1	174.9	0	0	0	0	0	113.5	V226 R227 T232 E233 P234	V226-A230 PolarHBondContact O-N 3.47Å; R227-A230 WeakPolarHBondContact O-CA 3.42Å; R227-A230 WeakPolarHBondContact O-CB 3.3Å; R227-A230 PolarHBondContact O-N 3.21Å; A230-T232 PolarHBondContact O-N 3Å; A230-E233 WeakPolarHBondContact CA-O 3.46Å; A230-E233 CarbonylContact O-C 3.5Å; A230-P234 WeakPolarHBondContact O-CA 3.46Å; A230-P234 WeakPolarHBondContact O-CB 3.36Å; A230-P234 WeakPolarHBondContact O-CD 3.32Å; A230-P234 VanDerWaalsContact O-N 3.09Å
231	V	87	Confident	87.5	Confident	17 Å²	17	49.6 Å²	49.6	10%	0.103	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.9	173.8	176.8	0	0	0	0	113.5	R227 R229 H337 F338 D339	R227-V231 PolarHBondContact O-N 2.98Å; R229-V231 PolarHBondContact O-N 3.46Å; R229-V231 VanDerWaalsContact O-N 3.16Å; V231-H337 WeakPolarHBondContact CG1-CE1 3.41Å; V231-H337 PolarHBondContact O-ND1 3.28Å; V231-H337 VanDerWaalsContact O-ND1 3.13Å; V231-F338 WeakPolarHBondContact CA-O 3.37Å; V231-F338 PolarHBondContact O-N 3.4Å; V231-D339 HydrophobicContact CG1-CB 4.03Å; V231-D339 HydrophobicContact CG2-CB 4.04Å
232	T	84.9	Confident	88.5	Confident	75 Å²	75	47.3 Å²	47.3	46%	0.46	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-22.1	177.7	54.4	0	0	0	0	113.9	R229 A230 S335	R229-T232 PolarHBondContact O-N 2.83Å; R229-T232 PolarHBondContact O-OG1 3.25Å; A230-T232 PolarHBondContact O-N 3Å; T232-S335 WeakPolarHBondContact O-CB 3.48Å
233	E	87.3	Confident	89.5	Confident	134 Å²	134	44.3 Å²	44.3	63%	0.626	21%	0.214	S	C	*	.	S	Bend	trans	-131.2	70.2	177.5	-66.5	175.8	-177.1	0	0	108.6	R229 A230 S235	R229-E233 PolarHBondContact O-N 3.22Å; A230-E233 WeakPolarHBondContact CA-O 3.46Å; A230-E233 CarbonylContact O-C 3.5Å; E233-S235 PolarHBondContact O-N 3.03Å
234	P	89.4	Confident	90.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	20%	0.204	C	C	.	.			trans	-66	127.5	-170	22.7	-33.4	0	0	0	112.7	A230 I310 L311 D312 I336 F338	A230-P234 WeakPolarHBondContact O-CA 3.46Å; A230-P234 WeakPolarHBondContact O-CB 3.36Å; A230-P234 WeakPolarHBondContact O-CD 3.32Å; A230-P234 VanDerWaalsContact O-N 3.09Å; P234-I310 HydrophobicContact CB-CG2 4.18Å; P234-I310 HydrophobicContact CG-CG2 4.03Å; P234-I310 CarbonylContact O-C 3.53Å; P234-I310 VanDerWaalsContact O-O 3.06Å; P234-L311 CarbonylContact O-C 3.55Å; P234-L311 WeakPolarHBondContact O-CA 3.21Å; P234-D312 PolarHBondContact O-N 2.94Å; P234-I336 WeakPolarHBondContact CD-O 3.47Å; P234-I336 HydrophobicContact CG-CB 4Å; P234-I336 HydrophobicContact CG-CG2 4.34Å; P234-I336 WeakPolarHBondContact CG-O 3.4Å; P234-F338 HydrophobicContact CB-CB 4.17Å; P234-F338 HydrophobicContact CB-CD1 4.34Å; P234-F338 HydrophobicContact CG-CB 4.42Å
235	S	90.1	Very high	90.5	Very high	54 Å²	54	42 Å²	42	38%	0.378	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	88.7	164.4	176.9	0	0	0	0	106.8	E233 I310 L368 G369	E233-S235 PolarHBondContact O-N 3.03Å; S235-I310 WeakPolarHBondContact CA-O 3.3Å; S235-L368 CarbonylContact O-C 3.59Å; S235-G369 WeakPolarHBondContact O-CA 3.37Å; S235-G369 PolarHBondContact O-N 3.21Å
236	T	92.4	Very high	91	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.1	-177.5	72.4	0	0	0	0	110.5	I310 F338 R367	T236-I310 PolarHBondContact N-O 3.13Å; T236-I310 PolarHBondContact O-N 3.39Å; T236-F338 HydrophobicContact CG2-CD1 3.94Å; T236-F338 HydrophobicContact CG2-CE1 3.74Å; T236-R367 WeakPolarHBondContact CG2-O 3.27Å
237	A	94.4	Very high	91.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.3	178.4	0	0	0	0	0	111.1	C308 Y309 Y365 Y366 T370 I373	A237-C308 CarbonylContact C-O 3.52Å; A237-C308 VanDerWaalsContact CA-O 3.25Å; A237-C308 WeakPolarHBondContact CA-O 3.15Å; A237-Y309 HydrophobicContact CB-CD1 3.92Å; A237-Y309 HydrophobicContact CB-CE1 4.44Å; A237-Y309 HydrophobicContact CB-CG 4.39Å; A237-Y365 WeakPolarHBondContact O-CD2 3.21Å; A237-Y366 HydrophobicContact CB-CD2 4.38Å; A237-Y366 PolarHBondContact N-O 3.03Å; A237-Y366 WeakPolarHBondContact O-CB 3.26Å; A237-Y366 PolarHBondContact O-N 3.02Å; A237-T370 HydrophobicContact CB-CG2 4.26Å; A237-I373 HydrophobicContact CB-CD1 4.15Å
238	F	94.4	Very high	91.6	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.022	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.9	171.8	59.8	-88.3	0	0	0	112.1	I256 V268 M270 C308 I310 F363 K364 Y365	F238-I256 HydrophobicContact CE2-CG2 3.89Å; F238-I256 HydrophobicContact CZ-CG2 4.22Å; F238-V268 HydrophobicContact CE1-CB 4.27Å; F238-V268 HydrophobicContact CE1-CG1 3.96Å; F238-V268 HydrophobicContact CE1-CG2 4.16Å; F238-V268 HydrophobicContact CZ-CG1 3.93Å; F238-M270 HydrophobicContact CE2-CE 3.56Å; F238-M270 HydrophobicContact CE2-SD 4.05Å; F238-M270 HydrophobicContact CZ-CE 3.7Å; F238-C308 HydrophobicContact CD1-CB 3.97Å; F238-C308 HydrophobicContact CD2-CB 3.99Å; F238-C308 HydrophobicContact CE1-CB 3.62Å; F238-C308 HydrophobicContact CE2-CB 3.65Å; F238-C308 HydrophobicContact CG-CB 4.15Å; F238-C308 HydrophobicContact CZ-CB 3.46Å; F238-C308 VanDerWaalsContact CZ-CB 3.46Å; F238-C308 PolarHBondContact N-O 3.27Å; F238-C308 PolarHBondContact O-N 3.5Å; F238-I310 HydrophobicContact CE1-CD1 4.27Å; F238-F363 HydrophobicContact CB-CE2 4Å; F238-F363 HydrophobicContact CD2-CE2 4.15Å; F238-F363 HydrophobicContact CD2-CZ 4.08Å; F238-F363 HydrophobicContact CG-CE2 4.44Å; F238-K364 WeakPolarHBondContact CA-O 3.45Å; F238-Y365 HydrophobicContact CB-CD2 4.16Å
239	S	96	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.3	178.6	-177.6	0	0	0	0	110.3	L306 D307 F363 K364 N375	S239-L306 VanDerWaalsContact CA-O 3.28Å; S239-L306 WeakPolarHBondContact CA-O 3.32Å; S239-D307 WeakPolarHBondContact CB-OD1 3.41Å; S239-D307 PolarHBondContact OG-OD1 3.46Å; S239-F363 CarbonylContact O-C 3.56Å; S239-F363 WeakPolarHBondContact O-CA 3.41Å; S239-K364 PolarHBondContact N-O 3.27Å; S239-K364 PolarHBondContact O-N 3.49Å; S239-N375 WeakPolarHBondContact CB-ND2 3.25Å; S239-N375 PolarHBondContact O-ND2 2.81Å; S239-N375 VanDerWaalsContact O-ND2 3.12Å; S239-N375 VanDerWaalsContact OG-CB 3.26Å; S239-N375 WeakPolarHBondContact OG-CB 3.35Å; S239-N375 PolarHBondContact OG-ND2 3.16Å
240	V	96.5	Very high	91.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.4	179.4	61.5	0	0	0	0	110.3	I242 I255 L306 F360 F363	V240-I242 HydrophobicContact CG2-CG2 4.1Å; V240-I255 HydrophobicContact CG1-CG2 4.29Å; V240-L306 HydrophobicContact CG1-CB 3.93Å; V240-L306 HydrophobicContact CG1-CD1 4.29Å; V240-L306 HydrophobicContact CG1-CG 4.41Å; V240-L306 PolarHBondContact N-O 3.1Å; V240-L306 PolarHBondContact O-N 3.39Å; V240-F360 HydrophobicContact CG2-CD1 4.01Å; V240-F363 HydrophobicContact CB-CD1 3.65Å; V240-F363 HydrophobicContact CB-CD2 4.3Å; V240-F363 HydrophobicContact CB-CE1 3.74Å; V240-F363 HydrophobicContact CB-CE2 4.39Å; V240-F363 HydrophobicContact CB-CG 3.91Å; V240-F363 HydrophobicContact CB-CZ 4.09Å; V240-F363 HydrophobicContact CG1-CE1 4.28Å; V240-F363 HydrophobicContact CG1-CZ 4.49Å; V240-F363 HydrophobicContact CG2-CB 4.25Å; V240-F363 HydrophobicContact CG2-CD1 3.33Å; V240-F363 HydrophobicContact CG2-CE1 3.7Å; V240-F363 HydrophobicContact CG2-CG 3.89Å
241	W	96.6	Very high	91.7	Very high	34 Å²	34	47.3 Å²	47.3	13%	0.129	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.8	165.2	-74.2	89.8	0	0	0	109.8	W303 I304 R305 F360 G361 P362 N375 L377	W241-W303 HydrophobicContact CB-CE3 4.2Å; W241-W303 HydrophobicContact CB-CZ3 4.34Å; W241-W303 HydrophobicContact CE3-CB 3.99Å; W241-W303 HydrophobicContact CZ3-CB 4.03Å; W241-I304 CarbonylContact C-O 3.54Å; W241-I304 WeakPolarHBondContact CA-O 3.37Å; W241-R305 HydrophobicContact CD2-CB 3.85Å; W241-R305 HydrophobicContact CD2-CG 4.01Å; W241-R305 HydrophobicContact CE3-CB 3.9Å; W241-R305 HydrophobicContact CG-CG 4.34Å; W241-R305 HydrophobicContact CH2-CB 3.97Å; W241-R305 HydrophobicContact CZ2-CB 3.9Å; W241-R305 HydrophobicContact CZ2-CG 4.07Å; W241-R305 HydrophobicContact CZ3-CB 3.95Å; W241-F360 CarbonylContact O-C 3.07Å; W241-F360 WeakPolarHBondContact O-CA 3.39Å; W241-G361 PolarHBondContact O-N 3.11Å; W241-P362 PolarHBondContact N-O 3.49Å; W241-N375 PolarHBondContact NE1-O 3.4Å; W241-L377 HydrophobicContact CB-CD1 4.15Å; W241-L377 HydrophobicContact CD2-CB 4.16Å; W241-L377 HydrophobicContact CD2-CD1 4.06Å; W241-L377 HydrophobicContact CE3-CD1 4.34Å; W241-L377 HydrophobicContact CG-CD1 3.99Å; W241-L377 HydrophobicContact CH2-CB 4.44Å; W241-L377 HydrophobicContact CZ2-CB 4.06Å
242	I	96.4	Very high	91.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153	173.1	62.6	171.8	0	0	0	110.9	V240 L244 L298 I304 L306 F356 Y359 F360	V240-I242 HydrophobicContact CG2-CG2 4.1Å; I242-L244 HydrophobicContact CD1-CD2 4.27Å; I242-L298 HydrophobicContact CD1-CD1 4.05Å; I242-I304 HydrophobicContact CG1-CB 4.03Å; I242-I304 PolarHBondContact N-O 3.37Å; I242-I304 PolarHBondContact O-N 3.24Å; I242-L306 HydrophobicContact CD1-CD1 3.81Å; I242-L306 HydrophobicContact CD1-CG 4.3Å; I242-L306 HydrophobicContact CG1-CD1 4.41Å; I242-L306 HydrophobicContact CG1-CG 4.48Å; I242-F356 HydrophobicContact CB-CZ 3.9Å; I242-F356 HydrophobicContact CG2-CE1 4.16Å; I242-F356 HydrophobicContact CG2-CZ 3.83Å; I242-Y359 CarbonylContact C-O 3.49Å; I242-Y359 WeakPolarHBondContact CA-O 3.27Å; I242-F360 HydrophobicContact CG2-CD1 3.9Å; I242-F360 HydrophobicContact CG2-CE1 4.16Å
243	Y	95.9	Very high	92.4	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	116.3	173.2	-174.2	-74.7	0	0	0	108.6	L245 W301 K302 W303 G358 Y359 D387	Y243-L245 HydrophobicContact CD1-CD2 4.38Å; Y243-L245 HydrophobicContact CE1-CD2 3.99Å; Y243-W301 HydrophobicContact CE1-CE3 4.36Å; Y243-W301 VanDerWaalsContact CZ-C 3.42Å; Y243-W301 WeakPolarHBondContact OH-CA 3.35Å; Y243-W301 PolarHBondContact OH-O 2.66Å; Y243-K302 WeakPolarHBondContact CA-O 3.06Å; Y243-W303 AromaticContact CD2-CD1 3.79Å; Y243-W303 AromaticContact CD2-CD2 3.85Å; Y243-W303 HydrophobicContact CD2-CD2 3.85Å; Y243-W303 AromaticContact CD2-CE2 3.83Å; Y243-W303 HydrophobicContact CD2-CE3 4.5Å; Y243-W303 AromaticContact CD2-CG 3.85Å; Y243-W303 HydrophobicContact CD2-CG 3.85Å; Y243-W303 HydrophobicContact CD2-CZ2 4.48Å; Y243-W303 AromaticContact CD2-NE1 3.78Å; Y243-W303 HydrophobicContact CG-CD2 4.43Å; Y243-G358 CarbonylContact O-C 3.55Å; Y243-G358 VanDerWaalsContact O-CA 3.26Å; Y243-G358 WeakPolarHBondContact O-CA 3.46Å; Y243-Y359 AromaticContact CD1-CD2 3.66Å; Y243-Y359 HydrophobicContact CD1-CD2 3.66Å; Y243-Y359 HydrophobicContact CD1-CE2 4.01Å; Y243-Y359 HydrophobicContact CE1-CD2 4.42Å; Y243-Y359 HydrophobicContact CE1-CE2 4.36Å; Y243-Y359 HydrophobicContact CG-CD2 4.07Å; Y243-Y359 PolarHBondContact N-O 3.04Å; Y243-Y359 PolarHBondContact O-N 2.87Å; Y243-D387 HydrophobicContact CE2-CB 4.49Å; Y243-D387 WeakPolarHBondContact CE2-OD1 3.4Å; Y243-D387 PolarHBondContact OH-OD1 3.24Å; Y243-D387 VanDerWaalsContact OH-OD1 3.12Å
244	L	95.4	Very high	92.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.8	-172.9	-59.1	179.3	0	0	0	111.1	I242 L272 L298 L300 W301 I304 F356	I242-L244 HydrophobicContact CD1-CD2 4.27Å; L244-L272 HydrophobicContact CD1-CD1 4.38Å; L244-L272 HydrophobicContact CD1-CD2 4.18Å; L244-L272 HydrophobicContact CD2-CD2 3.78Å; L244-L298 HydrophobicContact CD1-CB 3.72Å; L244-L298 HydrophobicContact CD1-CD1 4.01Å; L244-L300 HydrophobicContact CB-CD2 3.69Å; L244-L300 WeakPolarHBondContact O-CA 3.27Å; L244-W301 PolarHBondContact O-N 2.98Å; L244-I304 HydrophobicContact CD1-CD1 4.35Å; L244-F356 HydrophobicContact CD2-CD1 4.28Å; L244-F356 HydrophobicContact CD2-CD2 3.42Å; L244-F356 VanDerWaalsContact CD2-CD2 3.42Å; L244-F356 HydrophobicContact CD2-CE1 4.37Å; L244-F356 HydrophobicContact CD2-CE2 3.57Å; L244-F356 HydrophobicContact CD2-CG 3.83Å; L244-F356 HydrophobicContact CD2-CZ 4.06Å
245	L	93.3	Very high	93	Very high	23 Å²	23	40.6 Å²	40.6	12%	0.12	19%	0.186	C	C	.	.	S	Bend	trans	-84.3	-35	170	-63.3	169.6	0	0	0	111.1	Y243 W301 A357 Y359 A550	Y243-L245 HydrophobicContact CD1-CD2 4.38Å; Y243-L245 HydrophobicContact CE1-CD2 3.99Å; L245-W301 HydrophobicContact CB-CH2 4.45Å; L245-W301 HydrophobicContact CD2-CE3 3.66Å; L245-W301 HydrophobicContact CD2-CH2 3.76Å; L245-W301 HydrophobicContact CD2-CZ3 3.24Å; L245-W301 WeakPolarHBondContact O-CZ2 3.29Å; L245-A357 WeakPolarHBondContact CB-O 3.48Å; L245-A357 PolarHBondContact N-O 3.35Å; L245-A357 VanDerWaalsContact N-O 3.08Å; L245-Y359 HydrophobicContact CD1-CE2 4.01Å; L245-Y359 HydrophobicContact CD2-CE2 4.07Å; L245-Y359 HydrophobicContact CG-CE2 4.13Å; L245-A550 HydrophobicContact CD1-CB 4.2Å
246	K	91.8	Very high	93.2	Very high	122 Å²	122	38.4 Å²	38.4	53%	0.53	17%	0.17	S	C	.	.	S	Bend	trans	-144	157.2	174.3	-60.8	176.2	-175	168.7	0	108.4	A357	K246-A357 PolarHBondContact N-O 3.01Å
247	W	92.8	Very high	93.1	Very high	96 Å²	96	38.3 Å²	38.3	36%	0.364	17%	0.169	S	C	.	.			trans	-69.2	177.7	163.5	-56.9	-41.8	0	0	0	110.7	Q249 L298 L300	W247-Q249 PolarHBondContact O-N 2.97Å; W247-L298 PolarHBondContact NE1-O 3.24Å; W247-L300 HydrophobicContact CG-CD2 4.18Å
248	C	91.2	Very high	93.1	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.068	17%	0.169	C	C	.	.			trans	-60.1	131	-178.4	-171.3	0	0	0	0	111.8	K250 C253	C248-K250 VanDerWaalsContact C-N 3.28Å; C248-K250 PolarHBondContact SG-N 3.09Å; C248-K250 PolarHBondContact SG-O 2.9Å; C248-C253 WeakPolarHBondContact CA-SG 3.2Å; C248-C253 HydrophobicContact CB-CB 3.78Å; C248-C253 WeakPolarHBondContact CB-SG 3.34Å; C248-C253 WeakPolarHBondContact SG-CB 3.3Å; C248-C253 PolarHBondContact SG-N 3.2Å; C248-C253 CovalentContact SG-SG 2.02Å; C248-C253 PolarHBondContact SG-SG 3.09Å
249	Q	84.4	Confident	92.9	Very high	134 Å²	134	38 Å²	38	63%	0.626	17%	0.168	S	C	*	.	S	Bend	trans	-80.9	-10.7	176.2	-60	-173.3	40.3	0	0	113	W247	W247-Q249 PolarHBondContact O-N 2.97Å
250	K	87.7	Confident	92.5	Very high	126 Å²	126	38.7 Å²	38.7	55%	0.548	17%	0.171	S	C	.	.	S	Bend	trans	-113.8	-178.8	173.6	-54.7	-62.4	-175.9	174.6	0	108	C248 H252 P354	C248-K250 VanDerWaalsContact C-N 3.28Å; C248-K250 PolarHBondContact SG-N 3.09Å; C248-K250 PolarHBondContact SG-O 2.9Å; K250-H252 VanDerWaalsContact C-N 3.33Å; K250-H252 PolarHBondContact O-N 3.34Å; K250-P354 HydrophobicContact CB-CG 4.27Å; K250-P354 HydrophobicContact CG-CG 3.93Å
251	K	88.1	Confident	91.9	Very high	157 Å²	157	41.9 Å²	41.9	68%	0.683	19%	0.186	S	C	*	.	S	Bend	trans	-59.2	-44.5	178	-65.1	-172.5	175.5	-174.4	0	112.5	E274	K251-E274 PolarHBondContact O-N 3.4Å
252	H	91.8	Very high	91.1	Very high	84 Å²	84	47.4 Å²	47.4	39%	0.389	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.4	-178.8	-49.1	119	0	0	0	110.1	K250 L272	K250-H252 VanDerWaalsContact C-N 3.33Å; K250-H252 PolarHBondContact O-N 3.34Å; H252-L272 WeakPolarHBondContact CA-O 3.32Å
253	C	94.6	Very high	90.5	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.02	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.8	176.8	-71	0	0	0	0	109.4	C248 Q271 L272 P354 G355 F356	C248-C253 WeakPolarHBondContact CA-SG 3.2Å; C248-C253 HydrophobicContact CB-CB 3.78Å; C248-C253 WeakPolarHBondContact CB-SG 3.34Å; C248-C253 WeakPolarHBondContact SG-CB 3.3Å; C248-C253 PolarHBondContact SG-N 3.2Å; C248-C253 CovalentContact SG-SG 2.02Å; C248-C253 PolarHBondContact SG-SG 3.09Å; C253-Q271 CarbonylContact O-C 3.45Å; C253-Q271 WeakPolarHBondContact O-CA 3.39Å; C253-L272 PolarHBondContact N-O 2.85Å; C253-L272 PolarHBondContact O-N 3.25Å; C253-P354 CarbonylContact C-O 3.6Å; C253-P354 WeakPolarHBondContact CA-O 3.43Å; C253-G355 PolarHBondContact SG-O 3.05Å; C253-F356 HydrophobicContact CB-CB 4.27Å
254	G	93.6	Very high	90	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.8	179	0	0	0	0	0	112.9	P354	G254-P354 PolarHBondContact N-O 3.48Å
255	I	94.9	Very high	89.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-58.1	164.2	-62	178.6	0	0	0	108.1	V240 M270 L272 L306 G348 F356 F360	V240-I255 HydrophobicContact CG1-CG2 4.29Å; I255-M270 HydrophobicContact CB-CB 4.42Å; I255-M270 HydrophobicContact CB-CG 4.08Å; I255-M270 WeakPolarHBondContact CB-O 3.41Å; I255-M270 HydrophobicContact CB-SD 4.27Å; I255-M270 HydrophobicContact CD1-CG 4.1Å; I255-M270 HydrophobicContact CD1-SD 4.24Å; I255-M270 HydrophobicContact CG2-CG 4.41Å; I255-M270 HydrophobicContact CG2-SD 3.94Å; I255-M270 PolarHBondContact N-O 3.46Å; I255-L272 HydrophobicContact CD1-CB 4.27Å; I255-L272 HydrophobicContact CG1-CB 4.38Å; I255-L306 HydrophobicContact CD1-CD1 4.04Å; I255-G348 PolarHBondContact O-N 3.04Å; I255-F356 HydrophobicContact CG1-CD1 4.32Å; I255-F356 HydrophobicContact CG1-CE1 4.19Å; I255-F360 HydrophobicContact CG2-CE1 3.97Å; I255-F360 WeakPolarHBondContact O-CE1 3.39Å
256	I	94.4	Very high	89.2	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.7	165.6	179.6	162.6	0	0	0	108.7	L197 F238 M270 F345 V346 F363	L197-I256 HydrophobicContact CD1-CD1 4.34Å; F238-I256 HydrophobicContact CE2-CG2 3.89Å; F238-I256 HydrophobicContact CZ-CG2 4.22Å; I256-M270 HydrophobicContact CG2-CB 3.88Å; I256-M270 PolarHBondContact N-O 3.05Å; I256-M270 PolarHBondContact O-N 3.4Å; I256-F345 HydrophobicContact CD1-CD1 3.98Å; I256-F345 HydrophobicContact CG1-CD1 4.32Å; I256-V346 WeakPolarHBondContact CA-O 3.41Å; I256-F363 HydrophobicContact CB-CE1 4.08Å; I256-F363 HydrophobicContact CB-CZ 3.97Å; I256-F363 HydrophobicContact CD1-CE1 4.02Å; I256-F363 HydrophobicContact CD1-CE2 4.06Å; I256-F363 HydrophobicContact CD1-CZ 3.38Å; I256-F363 HydrophobicContact CG1-CZ 4.25Å; I256-F363 HydrophobicContact CG2-CE1 4.5Å; I256-F363 HydrophobicContact CG2-CZ 4.06Å
257	H	91.9	Very high	88.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.8	172.9	53.6	-86.7	0	0	0	111.7	F265 L269 F345 V346 G348	H257-F265 HydrophobicContact CB-CD1 4.23Å; H257-F265 HydrophobicContact CB-CE1 4.28Å; H257-F265 AromaticContact CD2-CE1 3.65Å; H257-L269 HydrophobicContact CB-CD1 3.55Å; H257-F345 WeakPolarHBondContact O-CA 3.25Å; H257-V346 PolarHBondContact N-O 3.09Å; H257-V346 WeakPolarHBondContact NE2-CB 3.42Å; H257-V346 PolarHBondContact O-N 3.39Å; H257-G348 PolarHBondContact CE1-O 3.4Å
258	H	92.6	Very high	88.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	138.2	170.4	-165	-137.8	0	0	0	109.7	F265 D266 S267 V268 D339 D342 Y344 F345	H258-F265 WeakPolarHBondContact O-CA 3.13Å; H258-D266 HydrophobicContact CB-CB 4.49Å; H258-D266 IonicContact CE1-OD2 3.39Å; H258-D266 IonicContact ND1-OD2 3.81Å; H258-D266 PolarHBondContact ND1-OD2 3.28Å; H258-D266 PolarHBondContact O-N 3.48Å; H258-D266 VanDerWaalsContact O-N 3.09Å; H258-S267 WeakPolarHBondContact CB-O 3.1Å; H258-S267 VanDerWaalsContact CG-O 3.31Å; H258-S267 PolarHBondContact ND1-O 3.49Å; H258-V268 PolarHBondContact N-O 3.39Å; H258-D339 PolarHBondContact CE1-O 2.8Å; H258-D342 PolarHBondContact CE1-O 3.43Å; H258-D342 PolarHBondContact NE2-O 2.81Å; H258-Y344 PolarHBondContact CD2-O 3.42Å; H258-F345 HydrophobicContact CB-CD1 4.13Å; H258-F345 HydrophobicContact CB-CE1 3.88Å; H258-F345 HydrophobicContact CB-CZ 4.36Å; H258-F345 AromaticContact CD2-CD1 3.75Å; H258-F345 AromaticContact CD2-CD2 3.52Å; H258-F345 AromaticContact CD2-CE1 3.5Å; H258-F345 VanDerWaalsContact CD2-CE1 3.5Å; H258-F345 WeakPolarHBondContact CD2-CE1 3.2Å; H258-F345 AromaticContact CD2-CE2 3.2Å; H258-F345 WeakPolarHBondContact CD2-CE2 3.06Å; H258-F345 AromaticContact CD2-CG 3.77Å; H258-F345 AromaticContact CD2-CZ 3.21Å; H258-F345 WeakPolarHBondContact CD2-CZ 3.44Å; H258-F345 AromaticContact CG-CE1 3.78Å; H258-F345 AromaticContact CG-CZ 3.75Å; H258-F345 AromaticContact NE2-CD2 3.9Å; H258-F345 AromaticContact NE2-CE2 3.27Å; H258-F345 VanDerWaalsContact NE2-CE2 3.27Å; H258-F345 WeakPolarHBondContact NE2-CE2 3.21Å; H258-F345 AromaticContact NE2-CZ 3.5Å
259	V	90.9	Very high	88.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.8	178.2	-176.1	0	0	0	0	108	L264 F265 G343 Y344 Y352	V259-L264 VanDerWaalsContact CA-O 3.31Å; V259-L264 WeakPolarHBondContact CA-O 3.49Å; V259-F265 HydrophobicContact CG2-CD1 4.24Å; V259-F265 HydrophobicContact CG2-CE1 4.42Å; V259-G343 CarbonylContact O-C 3.58Å; V259-G343 VanDerWaalsContact O-CA 3.26Å; V259-G343 WeakPolarHBondContact O-CA 3.34Å; V259-Y344 HydrophobicContact CB-CE1 4.18Å; V259-Y344 HydrophobicContact CB-CE2 4.04Å; V259-Y344 HydrophobicContact CG1-CE1 4.14Å; V259-Y344 HydrophobicContact CG2-CE2 4.17Å; V259-Y344 PolarHBondContact N-O 2.83Å; V259-Y344 PolarHBondContact O-N 2.79Å; V259-Y352 HydrophobicContact CG1-CE2 4.5Å
260	D	87.5	Confident	88.9	Confident	14 Å²	14	38.1 Å²	38.1	8%	0.075	18%	0.177	C	C	.	.			trans	-74.8	175.8	-177.8	60.4	33.6	0	0	0	113.3	E262 H263 L264 D266 R283	D260-E262 PolarHBondContact O-N 3.44Å; D260-E262 WeakPolarHBondContact OD1-CA 3.46Å; D260-E262 PolarHBondContact OD1-N 3.15Å; D260-H263 PolarHBondContact O-N 3.39Å; D260-H263 VanDerWaalsContact O-N 3.11Å; D260-H263 PolarHBondContact OD1-N 3.01Å; D260-H263 VanDerWaalsContact OD1-N 3.12Å; D260-L264 PolarHBondContact N-O 3.46Å; D260-L264 PolarHBondContact OD1-N 3.17Å; D260-L264 WeakPolarHBondContact OD2-CB 3.32Å; D260-D266 HydrophobicContact CB-CB 4.48Å; D260-R283 IonicContact OD2-NH1 3.48Å; D260-R283 PolarHBondContact OD2-NH1 2.85Å
261	E	83.6	Confident	89.3	Confident	67 Å²	67	32.7 Å²	32.7	31%	0.313	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12	175	-81.8	-166.7	-178.2	0	0	114.8	R214 D342 R800	R214-E261 IonicContact CZ-OE1 2.78Å; R214-E261 IonicContact NH2-OE1 3.23Å; R214-E261 PolarHBondContact NH2-OE1 3.35Å; E261-D342 WeakPolarHBondContact CB-OD1 3.36Å; E261-D342 WeakPolarHBondContact CG-OD1 3.31Å; E261-D342 PolarHBondContact N-OD1 3.41Å; E261-D342 VanDerWaalsContact N-OD1 3.11Å; E261-R800 IonicContact OE2-NE 2.61Å; E261-R800 IonicContact OE2-NH2 3.61Å
262	E	81.3	Confident	89.6	Confident	150 Å²	150	25.2 Å²	25.2	70%	0.701	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	4.9	175.4	-56.8	-161.2	162.4	0	0	112.8	D260 L264	D260-E262 PolarHBondContact O-N 3.44Å; D260-E262 WeakPolarHBondContact OD1-CA 3.46Å; D260-E262 PolarHBondContact OD1-N 3.15Å; E262-L264 VanDerWaalsContact C-N 3.27Å; E262-L264 PolarHBondContact O-N 3.5Å
263	H	83.2	Confident	89.7	Confident	29 Å²	29	21.4 Å²	21.4	13%	0.134	10%	0.104	C	C	.	.	S	Bend	trans	63.6	24.1	-175.7	-47.3	-88.4	0	0	0	114.4	D260 Y352 E768 W792	D260-H263 PolarHBondContact O-N 3.39Å; D260-H263 VanDerWaalsContact O-N 3.11Å; D260-H263 PolarHBondContact OD1-N 3.01Å; D260-H263 VanDerWaalsContact OD1-N 3.12Å; H263-Y352 HydrophobicContact CB-CE2 4.41Å; H263-E768 IonicContact CD2-OE1 2.95Å; H263-E768 IonicContact CD2-OE2 2.93Å; H263-E768 IonicContact CE1-OE2 3.87Å; H263-E768 IonicContact NE2-OE1 2.71Å; H263-E768 PolarHBondContact NE2-OE1 3.27Å; H263-E768 VanDerWaalsContact NE2-OE1 3.16Å; H263-E768 IonicContact NE2-OE2 3.63Å; H263-E768 PolarHBondContact NE2-OE2 2.99Å; H263-W792 AromaticContact CE1-CH2 3.7Å; H263-W792 AromaticContact ND1-CH2 3.72Å
264	L	85.5	Confident	89.7	Confident	87 Å²	87	26.9 Å²	26.9	46%	0.455	13%	0.129	S	C	.	.			trans	-91.1	153.9	170.8	-57.1	172.3	0	0	0	109.7	V259 D260 E262 D266	V259-L264 VanDerWaalsContact CA-O 3.31Å; V259-L264 WeakPolarHBondContact CA-O 3.49Å; D260-L264 PolarHBondContact N-O 3.46Å; D260-L264 PolarHBondContact OD1-N 3.17Å; D260-L264 WeakPolarHBondContact OD2-CB 3.32Å; E262-L264 VanDerWaalsContact C-N 3.27Å; E262-L264 PolarHBondContact O-N 3.5Å; L264-D266 PolarHBondContact O-N 2.91Å
265	F	86.6	Confident	89.5	Confident	55 Å²	55	29.2 Å²	29.2	24%	0.241	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.5	167.7	-64.2	-67	0	0	0	109.2	H257 H258 V259 L269 R283 M353	H257-F265 HydrophobicContact CB-CD1 4.23Å; H257-F265 HydrophobicContact CB-CE1 4.28Å; H257-F265 AromaticContact CD2-CE1 3.65Å; H258-F265 WeakPolarHBondContact O-CA 3.13Å; V259-F265 HydrophobicContact CG2-CD1 4.24Å; V259-F265 HydrophobicContact CG2-CE1 4.42Å; F265-L269 HydrophobicContact CB-CD2 3.96Å; F265-L269 HydrophobicContact CD1-CD1 4.48Å; F265-L269 HydrophobicContact CD1-CD2 4.36Å; F265-L269 HydrophobicContact CD2-CD2 4.33Å; F265-L269 HydrophobicContact CG-CD2 3.98Å; F265-R283 VanDerWaalsContact O-CZ 3.28Å; F265-R283 PolarHBondContact O-NH1 3.2Å; F265-R283 PolarHBondContact O-NH2 3.03Å; F265-M353 HydrophobicContact CE1-CE 4.27Å; F265-M353 HydrophobicContact CE2-CE 4.13Å; F265-M353 HydrophobicContact CZ-CB 4.31Å; F265-M353 HydrophobicContact CZ-CE 3.76Å
266	D	85.4	Confident	89.3	Confident	9 Å²	9	29.2 Å²	29.2	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	173.9	171.3	-178.2	41.4	0	0	0	109.7	H258 D260 L264 V268	H258-D266 HydrophobicContact CB-CB 4.49Å; H258-D266 IonicContact CE1-OD2 3.39Å; H258-D266 IonicContact ND1-OD2 3.81Å; H258-D266 PolarHBondContact ND1-OD2 3.28Å; H258-D266 PolarHBondContact O-N 3.48Å; H258-D266 VanDerWaalsContact O-N 3.09Å; D260-D266 HydrophobicContact CB-CB 4.48Å; L264-D266 PolarHBondContact O-N 2.91Å; D266-V268 PolarHBondContact O-N 2.92Å
267	S	84.4	Confident	89.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	135	165.4	-58.4	0	0	0	0	109.4	H258 R283 I336 H337 F338	H258-S267 WeakPolarHBondContact CB-O 3.1Å; H258-S267 VanDerWaalsContact CG-O 3.31Å; H258-S267 PolarHBondContact ND1-O 3.49Å; S267-R283 PolarHBondContact OG-N 3.3Å; S267-R283 PolarHBondContact OG-O 3.36Å; S267-I336 WeakPolarHBondContact OG-CG2 3.42Å; S267-H337 WeakPolarHBondContact CB-O 3.45Å; S267-H337 PolarHBondContact OG-O 2.92Å; S267-F338 WeakPolarHBondContact O-CD2 3.38Å; S267-F338 WeakPolarHBondContact O-CE2 3.44Å
268	V	82	Confident	89.4	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-105.9	131	0.8	-169.8	0	0	0	0	109.5	F238 H258 D266 I280 I310 F338	F238-V268 HydrophobicContact CE1-CB 4.27Å; F238-V268 HydrophobicContact CE1-CG1 3.96Å; F238-V268 HydrophobicContact CE1-CG2 4.16Å; F238-V268 HydrophobicContact CZ-CG1 3.93Å; H258-V268 PolarHBondContact N-O 3.39Å; D266-V268 PolarHBondContact O-N 2.92Å; V268-I280 HydrophobicContact CG1-CG2 4.22Å; V268-I310 HydrophobicContact CB-CD1 4.31Å; V268-I310 HydrophobicContact CG1-CD1 4.13Å; V268-I310 HydrophobicContact CG2-CD1 3.2Å; V268-F338 HydrophobicContact CG2-CD2 4.25Å; V268-F338 HydrophobicContact CG2-CE2 3.89Å; V268-F338 HydrophobicContact CG2-CZ 4.37Å
269	L	92.7	Very high	89.5	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.5	174.6	173.3	53.5	0	0	0	109.6	H257 F265 Q271 I280 Q281 M353	H257-L269 HydrophobicContact CB-CD1 3.55Å; F265-L269 HydrophobicContact CB-CD2 3.96Å; F265-L269 HydrophobicContact CD1-CD1 4.48Å; F265-L269 HydrophobicContact CD1-CD2 4.36Å; F265-L269 HydrophobicContact CD2-CD2 4.33Å; F265-L269 HydrophobicContact CG-CD2 3.98Å; L269-Q271 HydrophobicContact CD1-CG 3.82Å; L269-Q271 HydrophobicContact CG-CG 4.1Å; L269-I280 WeakPolarHBondContact O-CA 3.45Å; L269-Q281 HydrophobicContact CB-CB 4.11Å; L269-Q281 HydrophobicContact CD2-CB 4.18Å; L269-Q281 HydrophobicContact CD2-CG 4.34Å; L269-Q281 HydrophobicContact CG-CB 4.19Å; L269-Q281 PolarHBondContact N-O 3.47Å; L269-Q281 VanDerWaalsContact N-O 3.11Å; L269-Q281 PolarHBondContact O-N 2.57Å; L269-M353 HydrophobicContact CD1-CE 4.02Å; L269-M353 HydrophobicContact CD1-SD 4.08Å
270	M	94.8	Very high	89.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.9	176.4	-177.1	-176.4	-82.8	0	0	110.4	F238 I255 I256 I278 I280 L306 C308 L317	F238-M270 HydrophobicContact CE2-CE 3.56Å; F238-M270 HydrophobicContact CE2-SD 4.05Å; F238-M270 HydrophobicContact CZ-CE 3.7Å; I255-M270 HydrophobicContact CB-CB 4.42Å; I255-M270 HydrophobicContact CB-CG 4.08Å; I255-M270 WeakPolarHBondContact CB-O 3.41Å; I255-M270 HydrophobicContact CB-SD 4.27Å; I255-M270 HydrophobicContact CD1-CG 4.1Å; I255-M270 HydrophobicContact CD1-SD 4.24Å; I255-M270 HydrophobicContact CG2-CG 4.41Å; I255-M270 HydrophobicContact CG2-SD 3.94Å; I255-M270 PolarHBondContact N-O 3.46Å; I256-M270 HydrophobicContact CG2-CB 3.88Å; I256-M270 PolarHBondContact N-O 3.05Å; I256-M270 PolarHBondContact O-N 3.4Å; M270-I278 HydrophobicContact CG-CG2 4.07Å; M270-I280 HydrophobicContact CE-CD1 3.75Å; M270-I280 HydrophobicContact CE-CG1 4.15Å; M270-I280 HydrophobicContact CG-CG1 4.31Å; M270-L306 HydrophobicContact SD-CD1 3.94Å; M270-C308 HydrophobicContact CE-CB 4.07Å; M270-L317 HydrophobicContact CE-CD1 3.74Å
271	Q	94.9	Very high	90	Very high	13 Å²	13	32 Å²	32	6%	0.061	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.2	-171.8	-58.8	172.7	-5.1	0	0	112.3	C253 L269 I278 I279 M353	C253-Q271 CarbonylContact O-C 3.45Å; C253-Q271 WeakPolarHBondContact O-CA 3.39Å; L269-Q271 HydrophobicContact CD1-CG 3.82Å; L269-Q271 HydrophobicContact CG-CG 4.1Å; Q271-I278 WeakPolarHBondContact O-CA 3.4Å; Q271-I279 HydrophobicContact CB-CB 4.31Å; Q271-I279 PolarHBondContact N-O 2.88Å; Q271-I279 PolarHBondContact O-N 3.11Å; Q271-M353 HydrophobicContact CG-SD 4.07Å
272	L	95.3	Very high	90.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.8	169.1	-173.7	70.5	0	0	0	110.1	L244 H252 C253 I255 L298 F356	L244-L272 HydrophobicContact CD1-CD1 4.38Å; L244-L272 HydrophobicContact CD1-CD2 4.18Å; L244-L272 HydrophobicContact CD2-CD2 3.78Å; H252-L272 WeakPolarHBondContact CA-O 3.32Å; C253-L272 PolarHBondContact N-O 2.85Å; C253-L272 PolarHBondContact O-N 3.25Å; I255-L272 HydrophobicContact CD1-CB 4.27Å; I255-L272 HydrophobicContact CG1-CB 4.38Å; L272-L298 HydrophobicContact CD1-CD1 3.89Å; L272-F356 HydrophobicContact CD2-CB 3.87Å; L272-F356 HydrophobicContact CD2-CD1 4.4Å; L272-F356 HydrophobicContact CD2-CG 4.21Å
273	S	94.7	Very high	90.8	Very high	4 Å²	4	24 Å²	24	3%	0.028	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	168.3	175.2	73.9	0	0	0	0	113.4	T275 G276 D277	S273-T275 PolarHBondContact O-N 3.42Å; S273-T275 PolarHBondContact OG-N 3.02Å; S273-T275 PolarHBondContact OG-OG1 2.88Å; S273-G276 PolarHBondContact O-N 2.93Å; S273-G276 PolarHBondContact OG-N 3.42Å; S273-D277 PolarHBondContact N-O 2.9Å; S273-D277 WeakPolarHBondContact OG-CB 3.48Å; S273-D277 PolarHBondContact OG-N 3.03Å; S273-D277 PolarHBondContact OG-O 3.16Å
274	E	92.9	Very high	91.1	Very high	118 Å²	118	22.7 Å²	22.7	55%	0.551	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.9	170.8	66.1	-168.8	-176.1	0	0	114.1	K251	K251-E274 PolarHBondContact O-N 3.4Å
275	T	90.3	Very high	91.2	Very high	49 Å²	49	21.6 Å²	21.6	30%	0.301	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0	174.8	55.9	0	0	0	0	113.7	S273 D277 R293	S273-T275 PolarHBondContact O-N 3.42Å; S273-T275 PolarHBondContact OG-N 3.02Å; S273-T275 PolarHBondContact OG-OG1 2.88Å; T275-D277 PolarHBondContact OG1-OD2 3.03Å; T275-R293 PolarHBondContact OG1-NH2 3.4Å
276	G	91.1	Very high	91.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	78.3	16.5	-177.7	0	0	0	0	0	115.1	S273 L298	S273-G276 PolarHBondContact O-N 2.93Å; S273-G276 PolarHBondContact OG-N 3.42Å; G276-L298 WeakPolarHBondContact O-CB 3.48Å; G276-L298 WeakPolarHBondContact O-CG 3.49Å; G276-L298 PolarHBondContact O-N 2.99Å
277	D	93.7	Very high	91.1	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.043	15%	0.147	C	C	.	.			trans	-81	152.4	170.9	-60.4	-60.5	0	0	0	111.1	S273 T275 R293 H295 L296	S273-D277 PolarHBondContact N-O 2.9Å; S273-D277 WeakPolarHBondContact OG-CB 3.48Å; S273-D277 PolarHBondContact OG-N 3.03Å; S273-D277 PolarHBondContact OG-O 3.16Å; T275-D277 PolarHBondContact OG1-OD2 3.03Å; D277-R293 HydrophobicContact CB-CG 4.07Å; D277-R293 IonicContact OD2-CZ 3.91Å; D277-R293 VanDerWaalsContact OD2-CZ 3.23Å; D277-R293 IonicContact OD2-NE 2.87Å; D277-R293 PolarHBondContact OD2-NE 2.74Å; D277-R293 IonicContact OD2-NH2 3.33Å; D277-R293 PolarHBondContact OD2-NH2 2.99Å; D277-H295 VanDerWaalsContact OD1-C 3.24Å; D277-H295 VanDerWaalsContact OD1-CA 3.26Å; D277-H295 WeakPolarHBondContact OD1-CA 3.47Å; D277-L296 VanDerWaalsContact OD1-C 3.26Å; D277-L296 PolarHBondContact OD1-N 2.94Å
278	I	95.3	Very high	91.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.7	170.7	-57	170.4	0	0	0	109.1	M270 Q271 I280 R293 T294 L298 L306 L317 V319	M270-I278 HydrophobicContact CG-CG2 4.07Å; Q271-I278 WeakPolarHBondContact O-CA 3.4Å; I278-I280 HydrophobicContact CG2-CG1 4.26Å; I278-R293 WeakPolarHBondContact O-CA 3.47Å; I278-T294 HydrophobicContact CB-CG2 4.05Å; I278-T294 PolarHBondContact N-OG1 2.87Å; I278-T294 PolarHBondContact O-N 2.72Å; I278-T294 PolarHBondContact O-OG1 2.94Å; I278-L298 HydrophobicContact CD1-CD1 4.08Å; I278-L298 HydrophobicContact CD1-CD2 4.32Å; I278-L298 HydrophobicContact CG1-CD1 3.91Å; I278-L298 HydrophobicContact CG1-CG 4.41Å; I278-L306 HydrophobicContact CD1-CD1 4Å; I278-L306 HydrophobicContact CD1-CD2 3.53Å; I278-L306 HydrophobicContact CD1-CG 4.41Å; I278-L317 HydrophobicContact CB-CD2 4.37Å; I278-L317 HydrophobicContact CD1-CD2 3.92Å; I278-L317 HydrophobicContact CG2-CD2 3.99Å; I278-V319 HydrophobicContact CD1-CG2 3.88Å
279	I	94.8	Very high	91.7	Very high	21 Å²	21	33.8 Å²	33.8	11%	0.108	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.7	171.3	-59.5	170.2	0	0	0	107.7	Q271 A291 F292 R293	Q271-I279 HydrophobicContact CB-CB 4.31Å; Q271-I279 PolarHBondContact N-O 2.88Å; Q271-I279 PolarHBondContact O-N 3.11Å; I279-A291 HydrophobicContact CG2-CB 4.49Å; I279-F292 WeakPolarHBondContact CA-O 3.48Å; I279-R293 HydrophobicContact CG1-CB 4.23Å; I279-R293 HydrophobicContact CG1-CG 4.12Å
280	I	94.1	Very high	91.7	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.5	171.8	-61.1	-179.9	0	0	0	107.8	V268 L269 M270 I278 A291 F292 V315 L317	V268-I280 HydrophobicContact CG1-CG2 4.22Å; L269-I280 WeakPolarHBondContact O-CA 3.45Å; M270-I280 HydrophobicContact CE-CD1 3.75Å; M270-I280 HydrophobicContact CE-CG1 4.15Å; M270-I280 HydrophobicContact CG-CG1 4.31Å; I278-I280 HydrophobicContact CG2-CG1 4.26Å; I280-A291 CarbonylContact O-C 3.36Å; I280-A291 WeakPolarHBondContact O-CA 3.47Å; I280-F292 HydrophobicContact CB-CD1 4.24Å; I280-F292 HydrophobicContact CB-CE1 3.74Å; I280-F292 HydrophobicContact CB-CZ 4.07Å; I280-F292 HydrophobicContact CD1-CE1 4.31Å; I280-F292 HydrophobicContact CD1-CZ 3.88Å; I280-F292 HydrophobicContact CG1-CE1 4.47Å; I280-F292 HydrophobicContact CG1-CZ 4.31Å; I280-F292 HydrophobicContact CG2-CE1 4.1Å; I280-F292 PolarHBondContact N-O 3.04Å; I280-F292 PolarHBondContact O-N 2.68Å; I280-V315 HydrophobicContact CD1-CG1 4.13Å; I280-L317 HydrophobicContact CD1-CB 4.46Å; I280-L317 HydrophobicContact CD1-CD1 4.39Å; I280-L317 HydrophobicContact CD1-CD2 4.21Å
281	Q	92.9	Very high	91.5	Very high	51 Å²	51	37.5 Å²	37.5	24%	0.238	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.4	171.6	176.6	177.5	-16	0	0	109.3	L269 D289 E290 A291	L269-Q281 HydrophobicContact CB-CB 4.11Å; L269-Q281 HydrophobicContact CD2-CB 4.18Å; L269-Q281 HydrophobicContact CD2-CG 4.34Å; L269-Q281 HydrophobicContact CG-CB 4.19Å; L269-Q281 PolarHBondContact N-O 3.47Å; L269-Q281 VanDerWaalsContact N-O 3.11Å; L269-Q281 PolarHBondContact O-N 2.57Å; Q281-D289 PolarHBondContact NE2-OD2 2.82Å; Q281-E290 WeakPolarHBondContact CA-O 3.48Å; Q281-A291 HydrophobicContact CB-CB 3.85Å; Q281-A291 HydrophobicContact CG-CB 4.23Å
282	A	92	Very high	91.4	Very high	5 Å²	5	37.9 Å²	37.9	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.4	177.6	0	0	0	0	0	110.2	E290 F332 I336	A282-E290 PolarHBondContact N-O 3.22Å; A282-E290 PolarHBondContact O-N 2.96Å; A282-F332 HydrophobicContact CB-CE1 4.18Å; A282-F332 HydrophobicContact CB-CE2 4.34Å; A282-F332 HydrophobicContact CB-CZ 3.89Å; A282-I336 HydrophobicContact CB-CD1 4.29Å; A282-I336 HydrophobicContact CB-CG1 4.17Å; A282-I336 HydrophobicContact CB-CG2 4.09Å
283	R	90.8	Very high	91.3	Very high	43 Å²	43	42.9 Å²	42.9	16%	0.162	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.1	171	-179.8	163.8	-70	151.3	8.9	109.4	D260 F265 S267 D289 H337	D260-R283 IonicContact OD2-NH1 3.48Å; D260-R283 PolarHBondContact OD2-NH1 2.85Å; F265-R283 VanDerWaalsContact O-CZ 3.28Å; F265-R283 PolarHBondContact O-NH1 3.2Å; F265-R283 PolarHBondContact O-NH2 3.03Å; S267-R283 PolarHBondContact OG-N 3.3Å; S267-R283 PolarHBondContact OG-O 3.36Å; R283-D289 WeakPolarHBondContact CB-OD1 3.25Å; R283-D289 WeakPolarHBondContact CG-OD1 3.45Å; R283-D289 IonicContact CZ-OD1 3.14Å; R283-D289 IonicContact NE-OD1 3.32Å; R283-D289 PolarHBondContact NE-OD1 3.04Å; R283-D289 IonicContact NH2-OD1 3.49Å; R283-D289 PolarHBondContact NH2-OD1 3.09Å; R283-D289 IonicContact NH2-OD2 2.95Å; R283-H337 PolarHBondContact O-N 2.91Å
284	L	90.1	Very high	91.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-83.6	159.4	176.1	-54.8	-174	0	0	0	110.9	T286 G287 E288 E290 F332 N334 I336	L284-T286 PolarHBondContact O-N 2.98Å; L284-G287 PolarHBondContact O-N 2.91Å; L284-E288 WeakPolarHBondContact CB-O 3.31Å; L284-E288 WeakPolarHBondContact CG-O 3.44Å; L284-E288 PolarHBondContact N-O 2.99Å; L284-E290 HydrophobicContact CD1-CG 3.9Å; L284-E290 HydrophobicContact CG-CG 4.42Å; L284-F332 HydrophobicContact CD2-CB 3.77Å; L284-F332 HydrophobicContact CD2-CD1 3.94Å; L284-F332 HydrophobicContact CD2-CG 4.05Å; L284-N334 HydrophobicContact CB-CB 4.49Å; L284-N334 HydrophobicContact CD1-CB 4.3Å; L284-I336 HydrophobicContact CD2-CG1 4.45Å
285	T	87.2	Confident	90.9	Very high	65 Å²	65	44.6 Å²	44.6	40%	0.399	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-13.4	170.8	45.2	0	0	0	0	114.5	S335 H337	T285-S335 WeakPolarHBondContact CG2-O 3.07Å; T285-S335 PolarHBondContact N-O 3.32Å; T285-S335 PolarHBondContact OG1-O 3Å; T285-H337 HydrophobicContact CG2-CB 4.25Å
286	T	85.4	Confident	90.9	Very high	84 Å²	84	43.6 Å²	43.6	52%	0.515	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.7	169.1	41.1	0	0	0	0	114.5	L284 E288 N334	L284-T286 PolarHBondContact O-N 2.98Å; T286-E288 VanDerWaalsContact C-N 3.31Å; T286-N334 WeakPolarHBondContact CG2-ND2 3.29Å; T286-N334 PolarHBondContact OG1-ND2 3.17Å
287	G	84.3	Confident	91	Very high	55 Å²	55	49.7 Å²	49.7	57%	0.567	27%	0.267	S	S	*	.	S	Bend	trans	81.2	5.7	-172.4	0	0	0	0	0	114.5	L284	L284-G287 PolarHBondContact O-N 2.91Å
288	E	87.9	Confident	91	Very high	114 Å²	114	49.4 Å²	49.4	53%	0.533	27%	0.265	S	S	.	.			trans	-85.2	139.6	170	-64.6	-177.7	163.9	0	0	109.8	L284 T286	L284-E288 WeakPolarHBondContact CB-O 3.31Å; L284-E288 WeakPolarHBondContact CG-O 3.44Å; L284-E288 PolarHBondContact N-O 2.99Å; T286-E288 VanDerWaalsContact C-N 3.31Å
289	D	90.3	Very high	91	Very high	74 Å²	74	50.9 Å²	50.9	40%	0.396	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.5	174	-66.5	-11.3	0	0	0	109.7	Q281 R283	Q281-D289 PolarHBondContact NE2-OD2 2.82Å; R283-D289 WeakPolarHBondContact CB-OD1 3.25Å; R283-D289 WeakPolarHBondContact CG-OD1 3.45Å; R283-D289 IonicContact CZ-OD1 3.14Å; R283-D289 IonicContact NE-OD1 3.32Å; R283-D289 PolarHBondContact NE-OD1 3.04Å; R283-D289 IonicContact NH2-OD1 3.49Å; R283-D289 PolarHBondContact NH2-OD1 3.09Å; R283-D289 IonicContact NH2-OD2 2.95Å
290	E	92.4	Very high	90.9	Very high	27 Å²	27	52.6 Å²	52.6	13%	0.126	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.8	174.2	-74	-162.6	144.6	0	0	110.7	Q281 A282 L284 F332 K333	Q281-E290 WeakPolarHBondContact CA-O 3.48Å; A282-E290 PolarHBondContact N-O 3.22Å; A282-E290 PolarHBondContact O-N 2.96Å; L284-E290 HydrophobicContact CD1-CG 3.9Å; L284-E290 HydrophobicContact CG-CG 4.42Å; E290-F332 HydrophobicContact CB-CD1 3.54Å; E290-F332 HydrophobicContact CB-CE1 3.63Å; E290-F332 HydrophobicContact CG-CD1 4.48Å; E290-K333 IonicContact OE1-NZ 2.63Å; E290-K333 PolarHBondContact OE1-NZ 2.84Å; E290-K333 PolarHBondContact OE2-N 2.03Å
291	A	91.8	Very high	90.8	Very high	54 Å²	54	56.3 Å²	56.3	45%	0.446	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.5	-179.7	0	0	0	0	0	113	I279 I280 Q281	I279-A291 HydrophobicContact CG2-CB 4.49Å; I280-A291 CarbonylContact O-C 3.36Å; I280-A291 WeakPolarHBondContact O-CA 3.47Å; Q281-A291 HydrophobicContact CB-CB 3.85Å; Q281-A291 HydrophobicContact CG-CB 4.23Å
292	F	92.5	Very high	90.8	Very high	21 Å²	21	57.7 Å²	57.7	9%	0.092	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156	174.3	76.5	-88.5	0	0	0	112.5	I279 I280 T294 V315 Y330 F332	I279-F292 WeakPolarHBondContact CA-O 3.48Å; I280-F292 HydrophobicContact CB-CD1 4.24Å; I280-F292 HydrophobicContact CB-CE1 3.74Å; I280-F292 HydrophobicContact CB-CZ 4.07Å; I280-F292 HydrophobicContact CD1-CE1 4.31Å; I280-F292 HydrophobicContact CD1-CZ 3.88Å; I280-F292 HydrophobicContact CG1-CE1 4.47Å; I280-F292 HydrophobicContact CG1-CZ 4.31Å; I280-F292 HydrophobicContact CG2-CE1 4.1Å; I280-F292 PolarHBondContact N-O 3.04Å; I280-F292 PolarHBondContact O-N 2.68Å; F292-T294 HydrophobicContact CE2-CG2 4.4Å; F292-V315 HydrophobicContact CE1-CB 4.08Å; F292-V315 HydrophobicContact CE1-CG1 4.03Å; F292-V315 HydrophobicContact CZ-CB 4.32Å; F292-V315 HydrophobicContact CZ-CG1 3.95Å; F292-Y330 HydrophobicContact CB-CD1 4.08Å; F292-Y330 HydrophobicContact CB-CD2 3.59Å; F292-Y330 HydrophobicContact CB-CE1 4.23Å; F292-Y330 HydrophobicContact CB-CE2 3.77Å; F292-Y330 HydrophobicContact CB-CG 3.75Å; F292-Y330 AromaticContact CD1-CD1 3.52Å; F292-Y330 HydrophobicContact CD1-CD1 3.52Å; F292-Y330 HydrophobicContact CD1-CD2 4.26Å; F292-Y330 HydrophobicContact CD1-CE1 4.27Å; F292-Y330 AromaticContact CD1-CG 3.51Å; F292-Y330 HydrophobicContact CD1-CG 3.51Å; F292-Y330 HydrophobicContact CD2-CD2 4.39Å; F292-Y330 HydrophobicContact CD2-CG 4.19Å; F292-Y330 HydrophobicContact CE1-CD1 4.16Å; F292-Y330 HydrophobicContact CE1-CG 4.08Å; F292-Y330 AromaticContact CG-CD1 3.98Å; F292-Y330 HydrophobicContact CG-CD1 3.98Å; F292-Y330 AromaticContact CG-CD2 3.86Å; F292-Y330 HydrophobicContact CG-CD2 3.86Å; F292-Y330 HydrophobicContact CG-CE2 4.49Å; F292-Y330 AromaticContact CG-CG 3.56Å; F292-Y330 HydrophobicContact CG-CG 3.56Å; F292-F332 HydrophobicContact CD1-CE2 4.34Å; F292-F332 AromaticContact CD1-CZ 3.9Å; F292-F332 HydrophobicContact CD1-CZ 3.9Å; F292-F332 HydrophobicContact CE1-CE2 4.28Å; F292-F332 HydrophobicContact CE1-CZ 4.18Å
293	R	93.8	Very high	90.9	Very high	104 Å²	104	58.7 Å²	58.7	39%	0.392	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.5	-176.8	-179.7	177	179.7	162.8	-0.9	110.1	T275 D277 I278 I279 H295	T275-R293 PolarHBondContact OG1-NH2 3.4Å; D277-R293 HydrophobicContact CB-CG 4.07Å; D277-R293 IonicContact OD2-CZ 3.91Å; D277-R293 VanDerWaalsContact OD2-CZ 3.23Å; D277-R293 IonicContact OD2-NE 2.87Å; D277-R293 PolarHBondContact OD2-NE 2.74Å; D277-R293 IonicContact OD2-NH2 3.33Å; D277-R293 PolarHBondContact OD2-NH2 2.99Å; I278-R293 WeakPolarHBondContact O-CA 3.47Å; I279-R293 HydrophobicContact CG1-CB 4.23Å; I279-R293 HydrophobicContact CG1-CG 4.12Å; R293-H295 PolarHBondContact O-CD2 3.46Å
294	T	90	Very high	91.1	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.055	30%	0.298	C	S	.	.			trans	-80.7	-15.8	-173.3	60	0	0	0	0	115.1	I278 F292 L296 L317 F328	I278-T294 HydrophobicContact CB-CG2 4.05Å; I278-T294 PolarHBondContact N-OG1 2.87Å; I278-T294 PolarHBondContact O-N 2.72Å; I278-T294 PolarHBondContact O-OG1 2.94Å; F292-T294 HydrophobicContact CE2-CG2 4.4Å; T294-L296 VanDerWaalsContact C-N 3.28Å; T294-L296 PolarHBondContact O-N 2.8Å; T294-L317 HydrophobicContact CG2-CD2 3.82Å; T294-F328 HydrophobicContact CG2-CB 4.33Å; T294-F328 HydrophobicContact CG2-CD1 4.26Å; T294-F328 HydrophobicContact CG2-CD2 3.97Å; T294-F328 HydrophobicContact CG2-CE2 4.4Å; T294-F328 HydrophobicContact CG2-CG 3.9Å; T294-F328 WeakPolarHBondContact O-CE1 3.46Å
295	H	89.1	Confident	91.4	Very high	149 Å²	149	59.7 Å²	59.7	69%	0.69	31%	0.309	S	S	*	.			trans	49.1	48	-175	-65	-80.7	0	0	0	112.9	D277 R293	D277-H295 VanDerWaalsContact OD1-C 3.24Å; D277-H295 VanDerWaalsContact OD1-CA 3.26Å; D277-H295 WeakPolarHBondContact OD1-CA 3.47Å; R293-H295 PolarHBondContact O-CD2 3.46Å
296	L	89.9	Confident	91.8	Very high	28 Å²	28	56.6 Å²	56.6	15%	0.147	29%	0.29	C	S	.	.			trans	-134.7	107.9	179.5	179	70.6	0	0	0	109.2	D277 T294 L298 V319 W321 H326 F328	D277-L296 VanDerWaalsContact OD1-C 3.26Å; D277-L296 PolarHBondContact OD1-N 2.94Å; T294-L296 VanDerWaalsContact C-N 3.28Å; T294-L296 PolarHBondContact O-N 2.8Å; L296-L298 HydrophobicContact CD2-CD2 4.41Å; L296-L298 PolarHBondContact O-N 3.31Å; L296-V319 HydrophobicContact CD2-CB 4.28Å; L296-V319 HydrophobicContact CD2-CG1 4.16Å; L296-V319 HydrophobicContact CD2-CG2 4.47Å; L296-W321 HydrophobicContact CD1-CH2 4.21Å; L296-W321 HydrophobicContact CD2-CH2 3.96Å; L296-W321 HydrophobicContact CD2-CZ3 3.98Å; L296-W321 HydrophobicContact CG-CH2 4.45Å; L296-H326 HydrophobicContact CD2-CB 4.1Å; L296-F328 HydrophobicContact CB-CE2 4.4Å; L296-F328 HydrophobicContact CB-CZ 3.79Å; L296-F328 HydrophobicContact CD2-CE2 3.74Å; L296-F328 HydrophobicContact CD2-CZ 3.76Å; L296-F328 HydrophobicContact CG-CZ 4.28Å
297	M	92.8	Very high	92.3	Very high	129 Å²	129	52.8 Å²	52.8	64%	0.635	27%	0.267	S	S	*	.			trans	-67.7	111.9	174.3	-61.4	-169.5	-62	0	0	110.4
298	L	94.1	Very high	92.8	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-68.9	137.9	177.2	-68	-175.5	0	0	0	112	I242 L244 W247 L272 G276 I278 L296 I304 V319	I242-L298 HydrophobicContact CD1-CD1 4.05Å; L244-L298 HydrophobicContact CD1-CB 3.72Å; L244-L298 HydrophobicContact CD1-CD1 4.01Å; W247-L298 PolarHBondContact NE1-O 3.24Å; L272-L298 HydrophobicContact CD1-CD1 3.89Å; G276-L298 WeakPolarHBondContact O-CB 3.48Å; G276-L298 WeakPolarHBondContact O-CG 3.49Å; G276-L298 PolarHBondContact O-N 2.99Å; I278-L298 HydrophobicContact CD1-CD1 4.08Å; I278-L298 HydrophobicContact CD1-CD2 4.32Å; I278-L298 HydrophobicContact CG1-CD1 3.91Å; I278-L298 HydrophobicContact CG1-CG 4.41Å; L296-L298 HydrophobicContact CD2-CD2 4.41Å; L296-L298 PolarHBondContact O-N 3.31Å; L298-I304 HydrophobicContact CB-CD1 3.97Å; L298-I304 HydrophobicContact CD1-CD1 4.28Å; L298-I304 HydrophobicContact CD2-CD1 4.29Å; L298-I304 HydrophobicContact CD2-CG2 4.37Å; L298-I304 HydrophobicContact CG-CD1 4.41Å; L298-V319 HydrophobicContact CD2-CG1 3.72Å
299	P	94.1	Very high	93.2	Very high	30 Å²	30	46.3 Å²	46.3	20%	0.195	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-67.5	142.5	177.7	28.7	-34.6	0	0	0	111.5	K302 I304 W321	P299-K302 HydrophobicContact CB-CD 4.48Å; P299-K302 HydrophobicContact CG-CB 4.46Å; P299-I304 HydrophobicContact CG-CD1 3.98Å; P299-I304 HydrophobicContact CG-CG1 4.13Å; P299-W321 HydrophobicContact CG-CD2 4.2Å; P299-W321 HydrophobicContact CG-CG 4.15Å
300	L	94	Very high	93.3	Very high	57 Å²	57	43 Å²	43	30%	0.298	20%	0.202	S	C	.	.	S	Bend	trans	-82.8	156.5	168	-59.5	179.5	0	0	0	110.3	L244 W247 K302	L244-L300 HydrophobicContact CB-CD2 3.69Å; L244-L300 WeakPolarHBondContact O-CA 3.27Å; W247-L300 HydrophobicContact CG-CD2 4.18Å; L300-K302 VanDerWaalsContact C-N 3.31Å; L300-K302 PolarHBondContact O-N 3.1Å
301	W	92.2	Very high	93.3	Very high	81 Å²	81	45.3 Å²	45.3	31%	0.307	22%	0.216	S	C	.	.	S	Bend	trans	60.7	34.4	174.3	-43.9	93.2	0	0	0	114.3	Y243 L244 L245 H390	Y243-W301 HydrophobicContact CE1-CE3 4.36Å; Y243-W301 VanDerWaalsContact CZ-C 3.42Å; Y243-W301 WeakPolarHBondContact OH-CA 3.35Å; Y243-W301 PolarHBondContact OH-O 2.66Å; L244-W301 PolarHBondContact O-N 2.98Å; L245-W301 HydrophobicContact CB-CH2 4.45Å; L245-W301 HydrophobicContact CD2-CE3 3.66Å; L245-W301 HydrophobicContact CD2-CH2 3.76Å; L245-W301 HydrophobicContact CD2-CZ3 3.24Å; L245-W301 WeakPolarHBondContact O-CZ2 3.29Å; W301-H390 HydrophobicContact CE3-CB 3.91Å; W301-H390 HydrophobicContact CZ3-CB 4.1Å; W301-H390 AromaticContact CZ3-CG 3.87Å; W301-H390 AromaticContact CZ3-ND1 3.55Å
302	K	92.8	Very high	93.3	Very high	79 Å²	79	45.2 Å²	45.2	34%	0.343	21%	0.208	S	C	.	.	S	Bend	trans	-143.8	150.2	176.8	-69.2	-165.9	169.7	-168.2	0	111.7	Y243 P299 L300 D322	Y243-K302 WeakPolarHBondContact CA-O 3.06Å; P299-K302 HydrophobicContact CB-CD 4.48Å; P299-K302 HydrophobicContact CG-CB 4.46Å; L300-K302 VanDerWaalsContact C-N 3.31Å; L300-K302 PolarHBondContact O-N 3.1Å; K302-D322 IonicContact NZ-OD1 3.86Å; K302-D322 PolarHBondContact NZ-OD1 2.92Å; K302-D322 IonicContact NZ-OD2 3.96Å; K302-D322 PolarHBondContact NZ-OD2 3.26Å
303	W	94	Very high	93.3	Very high	27 Å²	27	45.6 Å²	45.6	10%	0.102	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.9	169.6	-73.9	106.8	0	0	0	110.8	W241 Y243 L377 A383 L386	W241-W303 HydrophobicContact CB-CE3 4.2Å; W241-W303 HydrophobicContact CB-CZ3 4.34Å; W241-W303 HydrophobicContact CE3-CB 3.99Å; W241-W303 HydrophobicContact CZ3-CB 4.03Å; Y243-W303 AromaticContact CD2-CD1 3.79Å; Y243-W303 AromaticContact CD2-CD2 3.85Å; Y243-W303 HydrophobicContact CD2-CD2 3.85Å; Y243-W303 AromaticContact CD2-CE2 3.83Å; Y243-W303 HydrophobicContact CD2-CE3 4.5Å; Y243-W303 AromaticContact CD2-CG 3.85Å; Y243-W303 HydrophobicContact CD2-CG 3.85Å; Y243-W303 HydrophobicContact CD2-CZ2 4.48Å; Y243-W303 AromaticContact CD2-NE1 3.78Å; Y243-W303 HydrophobicContact CG-CD2 4.43Å; W303-L377 HydrophobicContact CB-CD2 4.17Å; W303-L377 HydrophobicContact CD2-CD1 3.97Å; W303-L377 HydrophobicContact CD2-CD2 3.97Å; W303-L377 HydrophobicContact CE3-CD1 3.88Å; W303-L377 HydrophobicContact CG-CD2 3.73Å; W303-L377 HydrophobicContact CH2-CD1 4.4Å; W303-L377 HydrophobicContact CZ2-CD1 4.47Å; W303-L377 HydrophobicContact CZ3-CD1 4.11Å; W303-A383 HydrophobicContact CZ2-CB 3.81Å; W303-A383 PolarHBondContact NE1-O 3.03Å; W303-L386 HydrophobicContact CZ2-CD2 4.06Å
304	I	95.4	Very high	93.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.4	179.7	-54.6	157.5	0	0	0	107.6	W241 I242 L244 L298 P299 L306 V319 T320 W321	W241-I304 CarbonylContact C-O 3.54Å; W241-I304 WeakPolarHBondContact CA-O 3.37Å; I242-I304 HydrophobicContact CG1-CB 4.03Å; I242-I304 PolarHBondContact N-O 3.37Å; I242-I304 PolarHBondContact O-N 3.24Å; L244-I304 HydrophobicContact CD1-CD1 4.35Å; L298-I304 HydrophobicContact CB-CD1 3.97Å; L298-I304 HydrophobicContact CD1-CD1 4.28Å; L298-I304 HydrophobicContact CD2-CD1 4.29Å; L298-I304 HydrophobicContact CD2-CG2 4.37Å; L298-I304 HydrophobicContact CG-CD1 4.41Å; P299-I304 HydrophobicContact CG-CD1 3.98Å; P299-I304 HydrophobicContact CG-CG1 4.13Å; I304-L306 HydrophobicContact CG2-CD2 3.86Å; I304-V319 HydrophobicContact CG2-CG1 3.73Å; I304-T320 WeakPolarHBondContact CA-O 3.45Å; I304-W321 HydrophobicContact CG1-CB 4.29Å; I304-W321 HydrophobicContact CG2-CE3 4.5Å
305	R	95.8	Very high	93.5	Very high	65 Å²	65	43.1 Å²	43.1	25%	0.245	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.1	169.7	-161.4	179.6	75.3	-152.9	3.6	109.7	W241 D307 T320	W241-R305 HydrophobicContact CD2-CB 3.85Å; W241-R305 HydrophobicContact CD2-CG 4.01Å; W241-R305 HydrophobicContact CE3-CB 3.9Å; W241-R305 HydrophobicContact CG-CG 4.34Å; W241-R305 HydrophobicContact CH2-CB 3.97Å; W241-R305 HydrophobicContact CZ2-CB 3.9Å; W241-R305 HydrophobicContact CZ2-CG 4.07Å; W241-R305 HydrophobicContact CZ3-CB 3.95Å; R305-D307 WeakPolarHBondContact CD-OD1 3.17Å; R305-D307 IonicContact CZ-OD1 2.96Å; R305-D307 IonicContact CZ-OD2 3.94Å; R305-D307 VanDerWaalsContact NE-CG 3.3Å; R305-D307 IonicContact NE-OD1 2.76Å; R305-D307 PolarHBondContact NE-OD1 2.68Å; R305-D307 IonicContact NE-OD2 3.28Å; R305-D307 PolarHBondContact NE-OD2 3.42Å; R305-D307 IonicContact NH2-OD2 3.4Å; R305-D307 PolarHBondContact NH2-OD2 3.04Å; R305-T320 WeakPolarHBondContact CB-OG1 3.35Å; R305-T320 PolarHBondContact N-O 2.96Å; R305-T320 PolarHBondContact O-N 2.86Å
306	L	95.8	Very high	93.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.8	172.6	-53	-175.8	0	0	0	108	S239 V240 I242 I255 M270 I278 I304 L317 V319	S239-L306 VanDerWaalsContact CA-O 3.28Å; S239-L306 WeakPolarHBondContact CA-O 3.32Å; V240-L306 HydrophobicContact CG1-CB 3.93Å; V240-L306 HydrophobicContact CG1-CD1 4.29Å; V240-L306 HydrophobicContact CG1-CG 4.41Å; V240-L306 PolarHBondContact N-O 3.1Å; V240-L306 PolarHBondContact O-N 3.39Å; I242-L306 HydrophobicContact CD1-CD1 3.81Å; I242-L306 HydrophobicContact CD1-CG 4.3Å; I242-L306 HydrophobicContact CG1-CD1 4.41Å; I242-L306 HydrophobicContact CG1-CG 4.48Å; I255-L306 HydrophobicContact CD1-CD1 4.04Å; M270-L306 HydrophobicContact SD-CD1 3.94Å; I278-L306 HydrophobicContact CD1-CD1 4Å; I278-L306 HydrophobicContact CD1-CD2 3.53Å; I278-L306 HydrophobicContact CD1-CG 4.41Å; I304-L306 HydrophobicContact CG2-CD2 3.86Å; L306-L317 HydrophobicContact CB-CD1 4.48Å; L306-V319 HydrophobicContact CD2-CB 4.26Å; L306-V319 HydrophobicContact CD2-CG1 3.76Å; L306-V319 HydrophobicContact CD2-CG2 3.98Å
307	D	95.8	Very high	94	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.5	175.8	-62.3	-33.4	0	0	0	108.7	S239 R305 Y309 L317 N318 I373	S239-D307 WeakPolarHBondContact CB-OD1 3.41Å; S239-D307 PolarHBondContact OG-OD1 3.46Å; R305-D307 WeakPolarHBondContact CD-OD1 3.17Å; R305-D307 IonicContact CZ-OD1 2.96Å; R305-D307 IonicContact CZ-OD2 3.94Å; R305-D307 VanDerWaalsContact NE-CG 3.3Å; R305-D307 IonicContact NE-OD1 2.76Å; R305-D307 PolarHBondContact NE-OD1 2.68Å; R305-D307 IonicContact NE-OD2 3.28Å; R305-D307 PolarHBondContact NE-OD2 3.42Å; R305-D307 IonicContact NH2-OD2 3.4Å; R305-D307 PolarHBondContact NH2-OD2 3.04Å; D307-Y309 HydrophobicContact CB-CE2 4.11Å; D307-L317 WeakPolarHBondContact O-CA 3.04Å; D307-N318 HydrophobicContact CB-CB 4.24Å; D307-N318 PolarHBondContact N-O 3.26Å; D307-N318 PolarHBondContact O-N 3.37Å; D307-I373 HydrophobicContact CB-CD1 3.98Å
308	C	95	Very high	94.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.9	-178	-168.5	0	0	0	0	110.1	A237 F238 M270 L316 L317	A237-C308 CarbonylContact C-O 3.52Å; A237-C308 VanDerWaalsContact CA-O 3.25Å; A237-C308 WeakPolarHBondContact CA-O 3.15Å; F238-C308 HydrophobicContact CD1-CB 3.97Å; F238-C308 HydrophobicContact CD2-CB 3.99Å; F238-C308 HydrophobicContact CE1-CB 3.62Å; F238-C308 HydrophobicContact CE2-CB 3.65Å; F238-C308 HydrophobicContact CG-CB 4.15Å; F238-C308 HydrophobicContact CZ-CB 3.46Å; F238-C308 VanDerWaalsContact CZ-CB 3.46Å; F238-C308 PolarHBondContact N-O 3.27Å; F238-C308 PolarHBondContact O-N 3.5Å; M270-C308 HydrophobicContact CE-CB 4.07Å; C308-L316 CarbonylContact C-O 3.58Å; C308-L316 WeakPolarHBondContact CA-O 3.2Å; C308-L317 HydrophobicContact CB-CD1 4.03Å
309	Y	95.1	Very high	94.2	Very high	33 Å²	33	31.6 Å²	31.6	13%	0.129	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.4	173.7	-52.7	-108.6	0	0	0	108.4	A237 D307 V315 L316 T370 I373	A237-Y309 HydrophobicContact CB-CD1 3.92Å; A237-Y309 HydrophobicContact CB-CE1 4.44Å; A237-Y309 HydrophobicContact CB-CG 4.39Å; D307-Y309 HydrophobicContact CB-CE2 4.11Å; Y309-V315 WeakPolarHBondContact O-CA 3.22Å; Y309-L316 HydrophobicContact CD2-CB 4.39Å; Y309-L316 PolarHBondContact N-O 2.98Å; Y309-L316 PolarHBondContact O-N 3.13Å; Y309-T370 WeakPolarHBondContact CE1-O 3.38Å; Y309-I373 HydrophobicContact CD1-CD1 4.42Å; Y309-I373 HydrophobicContact CD2-CD1 4.48Å; Y309-I373 HydrophobicContact CE1-CD1 3.78Å; Y309-I373 HydrophobicContact CE1-CG1 3.86Å; Y309-I373 HydrophobicContact CE2-CD1 3.83Å; Y309-I373 VanDerWaalsContact CZ-CD1 3.42Å; Y309-I373 WeakPolarHBondContact OH-CD1 3.48Å; Y309-I373 WeakPolarHBondContact OH-CG1 3.5Å
310	I	92.8	Very high	94.2	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.4	179.7	-55.6	-172	0	0	0	106.9	P234 S235 T236 F238 V268 V315 I336	P234-I310 HydrophobicContact CB-CG2 4.18Å; P234-I310 HydrophobicContact CG-CG2 4.03Å; P234-I310 CarbonylContact O-C 3.53Å; P234-I310 VanDerWaalsContact O-O 3.06Å; S235-I310 WeakPolarHBondContact CA-O 3.3Å; T236-I310 PolarHBondContact N-O 3.13Å; T236-I310 PolarHBondContact O-N 3.39Å; F238-I310 HydrophobicContact CE1-CD1 4.27Å; V268-I310 HydrophobicContact CB-CD1 4.31Å; V268-I310 HydrophobicContact CG1-CD1 4.13Å; V268-I310 HydrophobicContact CG2-CD1 3.2Å; I310-V315 HydrophobicContact CG1-CG2 4.19Å; I310-V315 HydrophobicContact CG2-CG2 4.43Å; I310-I336 HydrophobicContact CG2-CD1 3.83Å
311	L	92.6	Very high	94.2	Very high	77 Å²	77	30.3 Å²	30.3	40%	0.403	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	89.4	-171.5	-61.7	174.8	0	0	0	108.2	P234 S313 K314 L316	P234-L311 CarbonylContact O-C 3.55Å; P234-L311 WeakPolarHBondContact O-CA 3.21Å; L311-S313 PolarHBondContact O-N 3.45Å; L311-K314 PolarHBondContact N-O 2.84Å; L311-K314 PolarHBondContact O-N 3.34Å; L311-L316 HydrophobicContact CD1-CD1 4.27Å
312	D	91.8	Very high	93.8	Very high	52 Å²	52	31 Å²	31	28%	0.278	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-93.6	-176.9	171.5	59.8	0	0	0	113.3	P234 S335 I336	P234-D312 PolarHBondContact O-N 2.94Å; D312-S335 WeakPolarHBondContact OD1-CB 3.22Å; D312-S335 PolarHBondContact OD1-OG 3.04Å; D312-I336 WeakPolarHBondContact O-CB 3.47Å; D312-I336 WeakPolarHBondContact O-CG1 3.5Å; D312-I336 PolarHBondContact O-N 3.12Å
313	S	92	Very high	93.3	Very high	28 Å²	28	32.6 Å²	32.6	20%	0.196	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-2.5	178.8	44.9	0	0	0	0	112.8	L311 F332 N334	L311-S313 PolarHBondContact O-N 3.45Å; S313-F332 WeakPolarHBondContact O-CB 3.36Å; S313-F332 WeakPolarHBondContact O-CD2 3.26Å; S313-F332 PolarHBondContact O-N 3.33Å; S313-N334 WeakPolarHBondContact CB-O 3.14Å
314	K	93.8	Very high	93.2	Very high	60 Å²	60	37.7 Å²	37.7	26%	0.261	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.9	-173.9	173.1	168.7	166.2	159.5	0	111.7	L311 L316 E329 Y330 V331	L311-K314 PolarHBondContact N-O 2.84Å; L311-K314 PolarHBondContact O-N 3.34Å; K314-L316 HydrophobicContact CG-CG 4.49Å; K314-E329 HydrophobicContact CD-CG 4.45Å; K314-E329 VanDerWaalsContact CE-OE1 3.28Å; K314-E329 WeakPolarHBondContact CE-OE1 3.31Å; K314-E329 WeakPolarHBondContact CE-OE2 3.18Å; K314-E329 IonicContact NZ-OE1 2.77Å; K314-E329 PolarHBondContact NZ-OE1 2.9Å; K314-E329 IonicContact NZ-OE2 3.76Å; K314-E329 PolarHBondContact NZ-OE2 3.37Å; K314-Y330 WeakPolarHBondContact CA-O 3.46Å; K314-V331 HydrophobicContact CB-CG2 4.29Å; K314-V331 HydrophobicContact CD-CG2 4.33Å; K314-V331 HydrophobicContact CG-CG2 4.24Å
315	V	94.3	Very high	93	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.8	172.7	176.2	0	0	0	0	110.1	I280 F292 Y309 I310 Y330 F332 I336	I280-V315 HydrophobicContact CD1-CG1 4.13Å; F292-V315 HydrophobicContact CE1-CB 4.08Å; F292-V315 HydrophobicContact CE1-CG1 4.03Å; F292-V315 HydrophobicContact CZ-CB 4.32Å; F292-V315 HydrophobicContact CZ-CG1 3.95Å; Y309-V315 WeakPolarHBondContact O-CA 3.22Å; I310-V315 HydrophobicContact CG1-CG2 4.19Å; I310-V315 HydrophobicContact CG2-CG2 4.43Å; V315-Y330 PolarHBondContact N-O 3.09Å; V315-Y330 PolarHBondContact O-N 3.13Å; V315-F332 HydrophobicContact CB-CE2 4.26Å; V315-F332 HydrophobicContact CG2-CD2 4.31Å; V315-F332 HydrophobicContact CG2-CE2 3.66Å; V315-I336 HydrophobicContact CG2-CD1 3.69Å
316	L	94.5	Very high	92.9	Very high	44 Å²	44	40.7 Å²	40.7	23%	0.23	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.2	174.4	-67.9	170.6	0	0	0	109	C308 Y309 L311 K314 F328 E329	C308-L316 CarbonylContact C-O 3.58Å; C308-L316 WeakPolarHBondContact CA-O 3.2Å; Y309-L316 HydrophobicContact CD2-CB 4.39Å; Y309-L316 PolarHBondContact N-O 2.98Å; Y309-L316 PolarHBondContact O-N 3.13Å; L311-L316 HydrophobicContact CD1-CD1 4.27Å; K314-L316 HydrophobicContact CG-CG 4.49Å; L316-F328 WeakPolarHBondContact CA-O 3.49Å; L316-E329 HydrophobicContact CD2-CB 3.77Å; L316-E329 HydrophobicContact CD2-CG 3.79Å; L316-E329 WeakPolarHBondContact CD2-OE2 3.49Å
317	L	95.1	Very high	92.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.3	175.4	-177.7	72.6	0	0	0	110.1	M270 I278 I280 T294 L306 D307 C308 V319 F328	M270-L317 HydrophobicContact CE-CD1 3.74Å; I278-L317 HydrophobicContact CB-CD2 4.37Å; I278-L317 HydrophobicContact CD1-CD2 3.92Å; I278-L317 HydrophobicContact CG2-CD2 3.99Å; I280-L317 HydrophobicContact CD1-CB 4.46Å; I280-L317 HydrophobicContact CD1-CD1 4.39Å; I280-L317 HydrophobicContact CD1-CD2 4.21Å; T294-L317 HydrophobicContact CG2-CD2 3.82Å; L306-L317 HydrophobicContact CB-CD1 4.48Å; D307-L317 WeakPolarHBondContact O-CA 3.04Å; C308-L317 HydrophobicContact CB-CD1 4.03Å; L317-V319 HydrophobicContact CD2-CG2 3.92Å; L317-V319 HydrophobicContact CG-CG2 4Å; L317-F328 HydrophobicContact CB-CB 4.42Å; L317-F328 PolarHBondContact N-O 3.07Å; L317-F328 PolarHBondContact O-N 2.83Å
318	N	95.3	Very high	92.7	Very high	23 Å²	23	52.3 Å²	52.3	12%	0.123	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.6	169.2	-56	-36.1	0	0	0	109.3	D307 H326 R327	D307-N318 HydrophobicContact CB-CB 4.24Å; D307-N318 PolarHBondContact N-O 3.26Å; D307-N318 PolarHBondContact O-N 3.37Å; N318-H326 CarbonylContact C-O 3.31Å; N318-H326 WeakPolarHBondContact CA-O 3.45Å; N318-R327 VanDerWaalsContact OD1-CD 3.3Å; N318-R327 WeakPolarHBondContact OD1-CD 3.47Å; N318-R327 WeakPolarHBondContact OD1-CG 3.42Å
319	V	96.1	Very high	92.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.8	177.4	-174.6	0	0	0	0	108.1	I278 L296 L298 I304 L306 L317 W321 H326 F328	I278-V319 HydrophobicContact CD1-CG2 3.88Å; L296-V319 HydrophobicContact CD2-CB 4.28Å; L296-V319 HydrophobicContact CD2-CG1 4.16Å; L296-V319 HydrophobicContact CD2-CG2 4.47Å; L298-V319 HydrophobicContact CD2-CG1 3.72Å; I304-V319 HydrophobicContact CG2-CG1 3.73Å; L306-V319 HydrophobicContact CD2-CB 4.26Å; L306-V319 HydrophobicContact CD2-CG1 3.76Å; L306-V319 HydrophobicContact CD2-CG2 3.98Å; L317-V319 HydrophobicContact CD2-CG2 3.92Å; L317-V319 HydrophobicContact CG-CG2 4Å; V319-W321 HydrophobicContact CB-CZ3 4.37Å; V319-W321 HydrophobicContact CG1-CE3 3.94Å; V319-W321 HydrophobicContact CG1-CZ3 3.66Å; V319-H326 PolarHBondContact N-O 3.22Å; V319-H326 PolarHBondContact O-N 3.4Å; V319-F328 HydrophobicContact CG2-CD2 4.19Å; V319-F328 HydrophobicContact CG2-CE2 4.02Å
320	T	94.6	Very high	92.6	Very high	22 Å²	22	60 Å²	60	14%	0.135	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.4	-175.8	79.5	0	0	0	0	113.7	I304 R305 K324	I304-T320 WeakPolarHBondContact CA-O 3.45Å; R305-T320 WeakPolarHBondContact CB-OG1 3.35Å; R305-T320 PolarHBondContact N-O 2.96Å; R305-T320 PolarHBondContact O-N 2.86Å; T320-K324 VanDerWaalsContact CA-O 3.23Å; T320-K324 WeakPolarHBondContact CA-O 3.45Å
321	W	93.3	Very high	92.7	Very high	37 Å²	37	63.7 Å²	63.7	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	154.8	170.6	70.2	96.6	0	0	0	109	L296 P299 I304 V319 A323 K324 H326	L296-W321 HydrophobicContact CD1-CH2 4.21Å; L296-W321 HydrophobicContact CD2-CH2 3.96Å; L296-W321 HydrophobicContact CD2-CZ3 3.98Å; L296-W321 HydrophobicContact CG-CH2 4.45Å; P299-W321 HydrophobicContact CG-CD2 4.2Å; P299-W321 HydrophobicContact CG-CG 4.15Å; I304-W321 HydrophobicContact CG1-CB 4.29Å; I304-W321 HydrophobicContact CG2-CE3 4.5Å; V319-W321 HydrophobicContact CB-CZ3 4.37Å; V319-W321 HydrophobicContact CG1-CE3 3.94Å; V319-W321 HydrophobicContact CG1-CZ3 3.66Å; W321-A323 PolarHBondContact O-N 2.97Å; W321-K324 PolarHBondContact N-O 3.1Å; W321-K324 VanDerWaalsContact N-O 3.12Å; W321-K324 WeakPolarHBondContact O-CB 3.15Å; W321-K324 PolarHBondContact O-N 3.02Å; W321-H326 AromaticContact CH2-CE1 3.12Å; W321-H326 WeakPolarHBondContact CH2-CE1 3.48Å; W321-H326 AromaticContact CH2-ND1 3.12Å; W321-H326 WeakPolarHBondContact CH2-ND1 3.21Å; W321-H326 AromaticContact CH2-NE2 3.99Å; W321-H326 AromaticContact CZ2-CE1 3.52Å; W321-H326 AromaticContact CZ2-ND1 3.95Å; W321-H326 AromaticContact CZ3-CE1 3.68Å; W321-H326 AromaticContact CZ3-ND1 3.21Å; W321-H326 WeakPolarHBondContact CZ3-ND1 3.34Å
322	D	85.1	Confident	92.6	Very high	95 Å²	95	60.3 Å²	60.3	51%	0.508	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	37.5	-179.4	-56.1	-24.7	0	0	0	114.5	K302 K324	K302-D322 IonicContact NZ-OD1 3.86Å; K302-D322 PolarHBondContact NZ-OD1 2.92Å; K302-D322 IonicContact NZ-OD2 3.96Å; K302-D322 PolarHBondContact NZ-OD2 3.26Å; D322-K324 PolarHBondContact O-N 3.37Å
323	A	82.2	Confident	92.5	Very high	114 Å²	114	65.2 Å²	65.2	94%	0.942	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	7.8	-171.9	0	0	0	0	0	116.5	W321	W321-A323 PolarHBondContact O-N 2.97Å
324	K	90.1	Very high	92.4	Very high	133 Å²	133	67 Å²	67	58%	0.578	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	139.3	169.5	-63.7	177.3	-179.1	177.8	0	109.7	T320 W321 D322	T320-K324 VanDerWaalsContact CA-O 3.23Å; T320-K324 WeakPolarHBondContact CA-O 3.45Å; W321-K324 PolarHBondContact N-O 3.1Å; W321-K324 VanDerWaalsContact N-O 3.12Å; W321-K324 WeakPolarHBondContact O-CB 3.15Å; W321-K324 PolarHBondContact O-N 3.02Å; D322-K324 PolarHBondContact O-N 3.37Å
325	S	91.8	Very high	92.2	Very high	63 Å²	63	65.7 Å²	65.7	44%	0.441	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.2	177.2	-178.5	0	0	0	0	110
326	H	93.5	Very high	92	Very high	66 Å²	66	65.7 Å²	65.7	31%	0.306	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.2	171.8	-57.5	78.7	0	0	0	107.5	L296 N318 V319 W321 F328	L296-H326 HydrophobicContact CD2-CB 4.1Å; N318-H326 CarbonylContact C-O 3.31Å; N318-H326 WeakPolarHBondContact CA-O 3.45Å; V319-H326 PolarHBondContact N-O 3.22Å; V319-H326 PolarHBondContact O-N 3.4Å; W321-H326 AromaticContact CH2-CE1 3.12Å; W321-H326 WeakPolarHBondContact CH2-CE1 3.48Å; W321-H326 AromaticContact CH2-ND1 3.12Å; W321-H326 WeakPolarHBondContact CH2-ND1 3.21Å; W321-H326 AromaticContact CH2-NE2 3.99Å; W321-H326 AromaticContact CZ2-CE1 3.52Å; W321-H326 AromaticContact CZ2-ND1 3.95Å; W321-H326 AromaticContact CZ3-CE1 3.68Å; W321-H326 AromaticContact CZ3-ND1 3.21Å; W321-H326 WeakPolarHBondContact CZ3-ND1 3.34Å; H326-F328 HydrophobicContact CB-CE2 3.9Å; H326-F328 HydrophobicContact CB-CZ 4.19Å
327	R	94.2	Very high	91.8	Very high	198 Å²	198	66.6 Å²	66.6	75%	0.747	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.6	-177.4	-55.3	-161.1	172.6	171.9	-4.9	109.6	N318	N318-R327 VanDerWaalsContact OD1-CD 3.3Å; N318-R327 WeakPolarHBondContact OD1-CD 3.47Å; N318-R327 WeakPolarHBondContact OD1-CG 3.42Å
328	F	94.4	Very high	91.5	Very high	48 Å²	48	66.9 Å²	66.9	21%	0.211	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.1	175.1	-57.5	-83.4	0	0	0	108.8	T294 L296 L316 L317 V319 H326	T294-F328 HydrophobicContact CG2-CB 4.33Å; T294-F328 HydrophobicContact CG2-CD1 4.26Å; T294-F328 HydrophobicContact CG2-CD2 3.97Å; T294-F328 HydrophobicContact CG2-CE2 4.4Å; T294-F328 HydrophobicContact CG2-CG 3.9Å; T294-F328 WeakPolarHBondContact O-CE1 3.46Å; L296-F328 HydrophobicContact CB-CE2 4.4Å; L296-F328 HydrophobicContact CB-CZ 3.79Å; L296-F328 HydrophobicContact CD2-CE2 3.74Å; L296-F328 HydrophobicContact CD2-CZ 3.76Å; L296-F328 HydrophobicContact CG-CZ 4.28Å; L316-F328 WeakPolarHBondContact CA-O 3.49Å; L317-F328 HydrophobicContact CB-CB 4.42Å; L317-F328 PolarHBondContact N-O 3.07Å; L317-F328 PolarHBondContact O-N 2.83Å; V319-F328 HydrophobicContact CG2-CD2 4.19Å; V319-F328 HydrophobicContact CG2-CE2 4.02Å; H326-F328 HydrophobicContact CB-CE2 3.9Å; H326-F328 HydrophobicContact CB-CZ 4.19Å
329	E	94.3	Very high	91.2	Very high	117 Å²	117	67.1 Å²	67.1	55%	0.547	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132	176.1	177	167.9	152	0	0	108.4	K314 L316	K314-E329 HydrophobicContact CD-CG 4.45Å; K314-E329 VanDerWaalsContact CE-OE1 3.28Å; K314-E329 WeakPolarHBondContact CE-OE1 3.31Å; K314-E329 WeakPolarHBondContact CE-OE2 3.18Å; K314-E329 IonicContact NZ-OE1 2.77Å; K314-E329 PolarHBondContact NZ-OE1 2.9Å; K314-E329 IonicContact NZ-OE2 3.76Å; K314-E329 PolarHBondContact NZ-OE2 3.37Å; L316-E329 HydrophobicContact CD2-CB 3.77Å; L316-E329 HydrophobicContact CD2-CG 3.79Å; L316-E329 WeakPolarHBondContact CD2-OE2 3.49Å
330	Y	93.8	Very high	90.9	Very high	79 Å²	79	67.4 Å²	67.4	31%	0.31	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.8	171.4	-169.2	-99.1	0	0	0	109.9	F292 K314 V315 F332	F292-Y330 HydrophobicContact CB-CD1 4.08Å; F292-Y330 HydrophobicContact CB-CD2 3.59Å; F292-Y330 HydrophobicContact CB-CE1 4.23Å; F292-Y330 HydrophobicContact CB-CE2 3.77Å; F292-Y330 HydrophobicContact CB-CG 3.75Å; F292-Y330 AromaticContact CD1-CD1 3.52Å; F292-Y330 HydrophobicContact CD1-CD1 3.52Å; F292-Y330 HydrophobicContact CD1-CD2 4.26Å; F292-Y330 HydrophobicContact CD1-CE1 4.27Å; F292-Y330 AromaticContact CD1-CG 3.51Å; F292-Y330 HydrophobicContact CD1-CG 3.51Å; F292-Y330 HydrophobicContact CD2-CD2 4.39Å; F292-Y330 HydrophobicContact CD2-CG 4.19Å; F292-Y330 HydrophobicContact CE1-CD1 4.16Å; F292-Y330 HydrophobicContact CE1-CG 4.08Å; F292-Y330 AromaticContact CG-CD1 3.98Å; F292-Y330 HydrophobicContact CG-CD1 3.98Å; F292-Y330 AromaticContact CG-CD2 3.86Å; F292-Y330 HydrophobicContact CG-CD2 3.86Å; F292-Y330 HydrophobicContact CG-CE2 4.49Å; F292-Y330 AromaticContact CG-CG 3.56Å; F292-Y330 HydrophobicContact CG-CG 3.56Å; K314-Y330 WeakPolarHBondContact CA-O 3.46Å; V315-Y330 PolarHBondContact N-O 3.09Å; V315-Y330 PolarHBondContact O-N 3.13Å; Y330-F332 HydrophobicContact CD1-CD1 4.1Å; Y330-F332 AromaticContact CD1-CD2 3.81Å; Y330-F332 HydrophobicContact CD1-CD2 3.81Å; Y330-F332 AromaticContact CD1-CE1 3.99Å; Y330-F332 HydrophobicContact CD1-CE1 3.99Å; Y330-F332 AromaticContact CD1-CE2 3.67Å; Y330-F332 HydrophobicContact CD1-CE2 3.67Å; Y330-F332 HydrophobicContact CD1-CG 4.04Å; Y330-F332 AromaticContact CD1-CZ 3.78Å; Y330-F332 HydrophobicContact CD1-CZ 3.78Å; Y330-F332 AromaticContact CE1-CD1 3.62Å; Y330-F332 HydrophobicContact CE1-CD1 3.62Å; Y330-F332 HydrophobicContact CE1-CD2 4.15Å; Y330-F332 AromaticContact CE1-CE1 3.68Å; Y330-F332 HydrophobicContact CE1-CE1 3.68Å; Y330-F332 HydrophobicContact CE1-CE2 4.19Å; Y330-F332 AromaticContact CE1-CG 3.88Å; Y330-F332 HydrophobicContact CE1-CG 3.88Å; Y330-F332 AromaticContact CE1-CZ 3.98Å; Y330-F332 HydrophobicContact CE1-CZ 3.98Å
331	V	94.4	Very high	90.7	Very high	81 Å²	81	67.5 Å²	67.5	49%	0.491	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.3	177.2	-177.8	0	0	0	0	107.3	K314	K314-V331 HydrophobicContact CB-CG2 4.29Å; K314-V331 HydrophobicContact CD-CG2 4.33Å; K314-V331 HydrophobicContact CG-CG2 4.24Å
332	F	90.9	Very high	90.5	Very high	6 Å²	6	68.5 Å²	68.5	3%	0.026	35%	0.349	C	S	.	.			trans	-73.9	159.7	176	-69.7	-86.2	0	0	0	110.8	A282 L284 E290 F292 S313 V315 Y330 N334 I336	A282-F332 HydrophobicContact CB-CE1 4.18Å; A282-F332 HydrophobicContact CB-CE2 4.34Å; A282-F332 HydrophobicContact CB-CZ 3.89Å; L284-F332 HydrophobicContact CD2-CB 3.77Å; L284-F332 HydrophobicContact CD2-CD1 3.94Å; L284-F332 HydrophobicContact CD2-CG 4.05Å; E290-F332 HydrophobicContact CB-CD1 3.54Å; E290-F332 HydrophobicContact CB-CE1 3.63Å; E290-F332 HydrophobicContact CG-CD1 4.48Å; F292-F332 HydrophobicContact CD1-CE2 4.34Å; F292-F332 AromaticContact CD1-CZ 3.9Å; F292-F332 HydrophobicContact CD1-CZ 3.9Å; F292-F332 HydrophobicContact CE1-CE2 4.28Å; F292-F332 HydrophobicContact CE1-CZ 4.18Å; S313-F332 WeakPolarHBondContact O-CB 3.36Å; S313-F332 WeakPolarHBondContact O-CD2 3.26Å; S313-F332 PolarHBondContact O-N 3.33Å; V315-F332 HydrophobicContact CB-CE2 4.26Å; V315-F332 HydrophobicContact CG2-CD2 4.31Å; V315-F332 HydrophobicContact CG2-CE2 3.66Å; Y330-F332 HydrophobicContact CD1-CD1 4.1Å; Y330-F332 AromaticContact CD1-CD2 3.81Å; Y330-F332 HydrophobicContact CD1-CD2 3.81Å; Y330-F332 AromaticContact CD1-CE1 3.99Å; Y330-F332 HydrophobicContact CD1-CE1 3.99Å; Y330-F332 AromaticContact CD1-CE2 3.67Å; Y330-F332 HydrophobicContact CD1-CE2 3.67Å; Y330-F332 HydrophobicContact CD1-CG 4.04Å; Y330-F332 AromaticContact CD1-CZ 3.78Å; Y330-F332 HydrophobicContact CD1-CZ 3.78Å; Y330-F332 AromaticContact CE1-CD1 3.62Å; Y330-F332 HydrophobicContact CE1-CD1 3.62Å; Y330-F332 HydrophobicContact CE1-CD2 4.15Å; Y330-F332 AromaticContact CE1-CE1 3.68Å; Y330-F332 HydrophobicContact CE1-CE1 3.68Å; Y330-F332 HydrophobicContact CE1-CE2 4.19Å; Y330-F332 AromaticContact CE1-CG 3.88Å; Y330-F332 HydrophobicContact CE1-CG 3.88Å; Y330-F332 AromaticContact CE1-CZ 3.98Å; Y330-F332 HydrophobicContact CE1-CZ 3.98Å; F332-N334 VanDerWaalsContact C-N 3.28Å; F332-N334 PolarHBondContact O-N 3.46Å; F332-I336 HydrophobicContact CD2-CD1 3.72Å; F332-I336 HydrophobicContact CD2-CG1 4.05Å; F332-I336 HydrophobicContact CE2-CD1 3.9Å; F332-I336 HydrophobicContact CE2-CG1 4.5Å; F332-I336 HydrophobicContact CG-CG1 4.42Å
333	K	89.8	Confident	90.7	Very high	155 Å²	155	64.1 Å²	64.1	67%	0.674	33%	0.325	S	S	*	.	S	Bend	trans	-63.4	-34.7	-178	-62.3	-161.7	-163.2	87.6	0	113.4	E290	E290-K333 IonicContact OE1-NZ 2.63Å; E290-K333 PolarHBondContact OE1-NZ 2.84Å; E290-K333 PolarHBondContact OE2-N 2.03Å
334	N	89.7	Confident	91.2	Very high	65 Å²	65	58.9 Å²	58.9	35%	0.348	28%	0.281	S	S	.	.	S	Bend	trans	-132.3	170	-177.9	-60.9	-32.2	0	0	0	110.1	L284 T286 S313 F332	L284-N334 HydrophobicContact CB-CB 4.49Å; L284-N334 HydrophobicContact CD1-CB 4.3Å; T286-N334 WeakPolarHBondContact CG2-ND2 3.29Å; T286-N334 PolarHBondContact OG1-ND2 3.17Å; S313-N334 WeakPolarHBondContact CB-O 3.14Å; F332-N334 VanDerWaalsContact C-N 3.28Å; F332-N334 PolarHBondContact O-N 3.46Å
335	S	88.7	Confident	91.3	Very high	33 Å²	33	52.9 Å²	52.9	23%	0.231	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-55.7	138.7	170.8	-53.2	0	0	0	0	112.2	T232 T285 D312	T232-S335 WeakPolarHBondContact O-CB 3.48Å; T285-S335 WeakPolarHBondContact CG2-O 3.07Å; T285-S335 PolarHBondContact N-O 3.32Å; T285-S335 PolarHBondContact OG1-O 3Å; D312-S335 WeakPolarHBondContact OD1-CB 3.22Å; D312-S335 PolarHBondContact OD1-OG 3.04Å
336	I	90.3	Very high	91.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-73.1	135.5	175.5	-64.9	163.9	0	0	0	109.1	P234 S267 A282 L284 I310 D312 V315 F332	P234-I336 WeakPolarHBondContact CD-O 3.47Å; P234-I336 HydrophobicContact CG-CB 4Å; P234-I336 HydrophobicContact CG-CG2 4.34Å; P234-I336 WeakPolarHBondContact CG-O 3.4Å; S267-I336 WeakPolarHBondContact OG-CG2 3.42Å; A282-I336 HydrophobicContact CB-CD1 4.29Å; A282-I336 HydrophobicContact CB-CG1 4.17Å; A282-I336 HydrophobicContact CB-CG2 4.09Å; L284-I336 HydrophobicContact CD2-CG1 4.45Å; I310-I336 HydrophobicContact CG2-CD1 3.83Å; D312-I336 WeakPolarHBondContact O-CB 3.47Å; D312-I336 WeakPolarHBondContact O-CG1 3.5Å; D312-I336 PolarHBondContact O-N 3.12Å; V315-I336 HydrophobicContact CG2-CD1 3.69Å; F332-I336 HydrophobicContact CD2-CD1 3.72Å; F332-I336 HydrophobicContact CD2-CG1 4.05Å; F332-I336 HydrophobicContact CE2-CD1 3.9Å; F332-I336 HydrophobicContact CE2-CG1 4.5Å; F332-I336 HydrophobicContact CG-CG1 4.42Å
337	H	89.8	Confident	91.6	Very high	62 Å²	62	47 Å²	47	29%	0.287	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-86.4	134.3	167.5	-177.6	51.5	0	0	0	109.5	V231 S267 R283 T285	V231-H337 WeakPolarHBondContact CG1-CE1 3.41Å; V231-H337 PolarHBondContact O-ND1 3.28Å; V231-H337 VanDerWaalsContact O-ND1 3.13Å; S267-H337 WeakPolarHBondContact CB-O 3.45Å; S267-H337 PolarHBondContact OG-O 2.92Å; R283-H337 PolarHBondContact O-N 2.91Å; T285-H337 HydrophobicContact CG2-CB 4.25Å
338	F	89.5	Confident	91.5	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.031	19%	0.185	C	C	.	.			trans	-158.8	97	-177.5	-176.6	-118.5	0	0	0	112.7	V231 P234 T236 S267 V268 D340 F345 Y365	V231-F338 WeakPolarHBondContact CA-O 3.37Å; V231-F338 PolarHBondContact O-N 3.4Å; P234-F338 HydrophobicContact CB-CB 4.17Å; P234-F338 HydrophobicContact CB-CD1 4.34Å; P234-F338 HydrophobicContact CG-CB 4.42Å; T236-F338 HydrophobicContact CG2-CD1 3.94Å; T236-F338 HydrophobicContact CG2-CE1 3.74Å; S267-F338 WeakPolarHBondContact O-CD2 3.38Å; S267-F338 WeakPolarHBondContact O-CE2 3.44Å; V268-F338 HydrophobicContact CG2-CD2 4.25Å; V268-F338 HydrophobicContact CG2-CE2 3.89Å; V268-F338 HydrophobicContact CG2-CZ 4.37Å; F338-D340 HydrophobicContact CE1-CB 4.06Å; F338-D340 HydrophobicContact CZ-CB 4.07Å; F338-F345 HydrophobicContact CE2-CE1 4.16Å; F338-F345 AromaticContact CE2-CZ 3.98Å; F338-F345 HydrophobicContact CE2-CZ 3.98Å; F338-F345 HydrophobicContact CZ-CE1 4.26Å; F338-F345 AromaticContact CZ-CZ 3.96Å; F338-F345 HydrophobicContact CZ-CZ 3.96Å; F338-Y365 HydrophobicContact CE1-CE2 4.49Å; F338-Y365 WeakPolarHBondContact CE1-OH 3.43Å; F338-Y365 HydrophobicContact CZ-CE2 4.34Å; F338-Y365 WeakPolarHBondContact CZ-OH 3.09Å
339	D	89.9	Confident	91.3	Very high	27 Å²	27	35.3 Å²	35.3	14%	0.144	18%	0.176	C	C	.	.			trans	-102.8	98.5	170.6	-166.3	-41.4	0	0	0	111.3	R227 V231 H258 T341 D342	R227-D339 IonicContact CZ-OD1 3.2Å; R227-D339 IonicContact NH1-OD1 3.94Å; R227-D339 PolarHBondContact NH1-OD1 3.3Å; R227-D339 IonicContact NH1-OD2 3.27Å; R227-D339 IonicContact NH2-OD1 3.68Å; R227-D339 IonicContact NH2-OD2 3.37Å; V231-D339 HydrophobicContact CG1-CB 4.03Å; V231-D339 HydrophobicContact CG2-CB 4.04Å; H258-D339 PolarHBondContact CE1-O 2.8Å; D339-T341 PolarHBondContact O-N 3.44Å; D339-T341 WeakPolarHBondContact OD1-CA 3.42Å; D339-T341 PolarHBondContact OD1-N 2.98Å; D339-T341 PolarHBondContact OD1-OG1 2.86Å; D339-D342 HydrophobicContact CB-CB 4.18Å; D339-D342 PolarHBondContact O-N 2.93Å; D339-D342 VanDerWaalsContact O-N 3.12Å; D339-D342 PolarHBondContact OD1-N 3.05Å
340	D	89.1	Confident	91	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.032	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	2.4	-179.8	78.2	-30.7	0	0	0	116	F215 R227 F338 F345 Y365 R367	F215-D340 WeakPolarHBondContact CB-O 3.37Å; F215-D340 WeakPolarHBondContact CD2-O 3.43Å; R227-D340 VanDerWaalsContact CD-OD1 3.24Å; R227-D340 WeakPolarHBondContact CD-OD1 3.5Å; R227-D340 WeakPolarHBondContact CG-OD1 3.22Å; R227-D340 IonicContact CZ-OD1 3.94Å; R227-D340 IonicContact NE-OD1 3.59Å; R227-D340 IonicContact NH1-OD1 2.7Å; R227-D340 PolarHBondContact NH1-OD1 3.49Å; F338-D340 HydrophobicContact CE1-CB 4.06Å; F338-D340 HydrophobicContact CZ-CB 4.07Å; D340-F345 HydrophobicContact CB-CE2 4.37Å; D340-F345 HydrophobicContact CB-CZ 4.24Å; D340-Y365 HydrophobicContact CB-CE1 4.45Å; D340-Y365 VanDerWaalsContact CB-OH 3.23Å; D340-Y365 WeakPolarHBondContact CB-OH 3.47Å; D340-Y365 PolarHBondContact OD2-OH 3.14Å; D340-R367 VanDerWaalsContact CG-NH2 3.31Å; D340-R367 IonicContact OD1-NH2 2.73Å; D340-R367 PolarHBondContact OD1-NH2 2.95Å; D340-R367 IonicContact OD2-CZ 3.76Å; D340-R367 IonicContact OD2-NE 2.76Å; D340-R367 PolarHBondContact OD2-NE 2.87Å; D340-R367 IonicContact OD2-NH2 2.71Å; D340-R367 PolarHBondContact OD2-NH2 3.22Å
341	T	89.8	Confident	90.7	Very high	24 Å²	24	30.6 Å²	30.6	15%	0.147	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-9.7	174.3	61	0	0	0	0	114.2	P217 R227 D339	P217-T341 HydrophobicContact CG-CG2 4.33Å; R227-T341 VanDerWaalsContact CZ-OG1 3.26Å; R227-T341 PolarHBondContact NH1-OG1 2.94Å; R227-T341 VanDerWaalsContact NH1-OG1 3.16Å; R227-T341 PolarHBondContact NH2-OG1 2.02Å; R227-T341 VanDerWaalsContact NH2-OG1 3.17Å; D339-T341 PolarHBondContact O-N 3.44Å; D339-T341 WeakPolarHBondContact OD1-CA 3.42Å; D339-T341 PolarHBondContact OD1-N 2.98Å; D339-T341 PolarHBondContact OD1-OG1 2.86Å
342	D	88.8	Confident	90.3	Very high	59 Å²	59	31.1 Å²	31.1	32%	0.316	15%	0.149	S	C	.	.	S	Bend	trans	-79.9	126.7	175.3	-165.3	-6.7	0	0	0	110	H258 E261 D339 Y344	H258-D342 PolarHBondContact CE1-O 3.43Å; H258-D342 PolarHBondContact NE2-O 2.81Å; E261-D342 WeakPolarHBondContact CB-OD1 3.36Å; E261-D342 WeakPolarHBondContact CG-OD1 3.31Å; E261-D342 PolarHBondContact N-OD1 3.41Å; E261-D342 VanDerWaalsContact N-OD1 3.11Å; D339-D342 HydrophobicContact CB-CB 4.18Å; D339-D342 PolarHBondContact O-N 2.93Å; D339-D342 VanDerWaalsContact O-N 3.12Å; D339-D342 PolarHBondContact OD1-N 3.05Å; D342-Y344 PolarHBondContact O-N 3.08Å
343	G	89.6	Confident	90.3	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	61	-130.6	-178.9	0	0	0	0	0	115.3	R214 V259	R214-G343 WeakPolarHBondContact CD-O 2.99Å; R214-G343 VanDerWaalsContact CG-O 3.26Å; R214-G343 WeakPolarHBondContact CG-O 3.01Å; R214-G343 PolarHBondContact NE-O 2.9Å; V259-G343 CarbonylContact O-C 3.58Å; V259-G343 VanDerWaalsContact O-CA 3.26Å; V259-G343 WeakPolarHBondContact O-CA 3.34Å
344	Y	92.6	Very high	90.5	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.02	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.5	-172.5	63.5	-88.9	0	0	0	114.4	V212 H258 V259 D342 V346 W792 T796	V212-Y344 HydrophobicContact CG1-CD2 3.89Å; V212-Y344 HydrophobicContact CG1-CG 4.31Å; H258-Y344 PolarHBondContact CD2-O 3.42Å; V259-Y344 HydrophobicContact CB-CE1 4.18Å; V259-Y344 HydrophobicContact CB-CE2 4.04Å; V259-Y344 HydrophobicContact CG1-CE1 4.14Å; V259-Y344 HydrophobicContact CG2-CE2 4.17Å; V259-Y344 PolarHBondContact N-O 2.83Å; V259-Y344 PolarHBondContact O-N 2.79Å; D342-Y344 PolarHBondContact O-N 3.08Å; Y344-V346 HydrophobicContact CD2-CG2 3.73Å; Y344-V346 HydrophobicContact CE2-CG2 3.46Å; Y344-V346 VanDerWaalsContact CE2-CG2 3.46Å; Y344-W792 WeakPolarHBondContact OH-CZ2 3.48Å; Y344-T796 HydrophobicContact CD1-CG2 4Å; Y344-T796 HydrophobicContact CD2-CG2 4.13Å; Y344-T796 HydrophobicContact CE1-CG2 3.72Å; Y344-T796 HydrophobicContact CE2-CG2 3.86Å; Y344-T796 HydrophobicContact CG-CG2 4.2Å
345	F	93.6	Very high	90.7	Very high	7 Å²	7	21.8 Å²	21.8	3%	0.031	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.9	174.6	-67.5	-97.1	0	0	0	111.5	V212 R213 F215 I256 H257 H258 F338 D340	V212-F345 WeakPolarHBondContact CA-O 3.41Å; R213-F345 PolarHBondContact N-O 3.45Å; R213-F345 PolarHBondContact O-N 3Å; F215-F345 AromaticContact CD2-CD2 3.61Å; F215-F345 HydrophobicContact CD2-CD2 3.61Å; F215-F345 AromaticContact CD2-CE2 3.43Å; F215-F345 HydrophobicContact CD2-CE2 3.43Å; F215-F345 VanDerWaalsContact CD2-CE2 3.43Å; F215-F345 HydrophobicContact CD2-CZ 4.36Å; F215-F345 AromaticContact CE2-CD2 3.39Å; F215-F345 HydrophobicContact CE2-CD2 3.39Å; F215-F345 AromaticContact CE2-CE2 3.4Å; F215-F345 HydrophobicContact CE2-CE2 3.4Å; F215-F345 VanDerWaalsContact CE2-CE2 3.4Å; F215-F345 HydrophobicContact CE2-CG 4.08Å; F215-F345 HydrophobicContact CE2-CZ 4.06Å; F215-F345 HydrophobicContact CZ-CD2 4.47Å; I256-F345 HydrophobicContact CD1-CD1 3.98Å; I256-F345 HydrophobicContact CG1-CD1 4.32Å; H257-F345 WeakPolarHBondContact O-CA 3.25Å; H258-F345 HydrophobicContact CB-CD1 4.13Å; H258-F345 HydrophobicContact CB-CE1 3.88Å; H258-F345 HydrophobicContact CB-CZ 4.36Å; H258-F345 AromaticContact CD2-CD1 3.75Å; H258-F345 AromaticContact CD2-CD2 3.52Å; H258-F345 AromaticContact CD2-CE1 3.5Å; H258-F345 VanDerWaalsContact CD2-CE1 3.5Å; H258-F345 WeakPolarHBondContact CD2-CE1 3.2Å; H258-F345 AromaticContact CD2-CE2 3.2Å; H258-F345 WeakPolarHBondContact CD2-CE2 3.06Å; H258-F345 AromaticContact CD2-CG 3.77Å; H258-F345 AromaticContact CD2-CZ 3.21Å; H258-F345 WeakPolarHBondContact CD2-CZ 3.44Å; H258-F345 AromaticContact CG-CE1 3.78Å; H258-F345 AromaticContact CG-CZ 3.75Å; H258-F345 AromaticContact NE2-CD2 3.9Å; H258-F345 AromaticContact NE2-CE2 3.27Å; H258-F345 VanDerWaalsContact NE2-CE2 3.27Å; H258-F345 WeakPolarHBondContact NE2-CE2 3.21Å; H258-F345 AromaticContact NE2-CZ 3.5Å; F338-F345 HydrophobicContact CE2-CE1 4.16Å; F338-F345 AromaticContact CE2-CZ 3.98Å; F338-F345 HydrophobicContact CE2-CZ 3.98Å; F338-F345 HydrophobicContact CZ-CE1 4.26Å; F338-F345 AromaticContact CZ-CZ 3.96Å; F338-F345 HydrophobicContact CZ-CZ 3.96Å; D340-F345 HydrophobicContact CB-CE2 4.37Å; D340-F345 HydrophobicContact CB-CZ 4.24Å
346	V	94.3	Very high	91	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.024	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.8	174.1	-174.5	0	0	0	0	110.1	V211 V212 I256 H257 Y344 G349	V211-V346 WeakPolarHBondContact O-CA 3.47Å; V212-V346 HydrophobicContact CG2-CG2 4.48Å; I256-V346 WeakPolarHBondContact CA-O 3.41Å; H257-V346 PolarHBondContact N-O 3.09Å; H257-V346 WeakPolarHBondContact NE2-CB 3.42Å; H257-V346 PolarHBondContact O-N 3.39Å; Y344-V346 HydrophobicContact CD2-CG2 3.73Å; Y344-V346 HydrophobicContact CE2-CG2 3.46Å; Y344-V346 VanDerWaalsContact CE2-CG2 3.46Å; V346-G349 WeakPolarHBondContact CG1-O 3.45Å
347	I	95.3	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.7	176.2	-48.5	172	0	0	0	108.8	L197 L198 G210 V211 F360 F363	L197-I347 HydrophobicContact CB-CD1 3.94Å; L197-I347 HydrophobicContact CD1-CD1 4.44Å; L198-I347 HydrophobicContact CD1-CD1 4.23Å; L198-I347 HydrophobicContact CD1-CG2 4.04Å; L198-I347 HydrophobicContact CD2-CD1 4.22Å; L198-I347 HydrophobicContact CG-CD1 3.89Å; G210-I347 WeakPolarHBondContact CA-O 3.25Å; V211-I347 HydrophobicContact CB-CB 4.42Å; V211-I347 PolarHBondContact N-O 3.02Å; V211-I347 VanDerWaalsContact N-O 3.1Å; V211-I347 PolarHBondContact O-N 3.11Å; I347-F360 HydrophobicContact CG2-CD1 3.78Å; I347-F360 HydrophobicContact CG2-CE1 3.9Å; I347-F360 HydrophobicContact CG2-CG 4.16Å; I347-F360 HydrophobicContact CG2-CZ 4.38Å; I347-F363 HydrophobicContact CD1-CD1 4.05Å; I347-F363 HydrophobicContact CG1-CD1 4.36Å; I347-F363 HydrophobicContact CG1-CE1 4.37Å; I347-F363 HydrophobicContact CG2-CD1 3.92Å; I347-F363 HydrophobicContact CG2-CE1 4.07Å
348	G	93.1	Very high	91.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.9	-130.2	-170.7	0	0	0	0	0	112.8	I255 H257 F360	I255-G348 PolarHBondContact O-N 3.04Å; H257-G348 PolarHBondContact CE1-O 3.4Å; G348-F360 VanDerWaalsContact CA-CZ 3.45Å
349	G	90.4	Very high	91.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	9%	0.085	C	C	.	.			trans	-81.9	151.9	-177.7	0	0	0	0	0	113.7	F209 G210 V346 M353 G355	F209-G349 CarbonylContact C-O 3.58Å; F209-G349 WeakPolarHBondContact O-CA 3Å; F209-G349 PolarHBondContact O-N 3.07Å; G210-G349 VanDerWaalsContact CA-O 3.23Å; G210-G349 WeakPolarHBondContact CA-O 3.47Å; G210-G349 PolarHBondContact N-O 3.43Å; V346-G349 WeakPolarHBondContact CG1-O 3.45Å; G349-M353 CarbonylContact C-O 3.59Å; G349-M353 WeakPolarHBondContact CA-O 3.35Å; G349-G355 VanDerWaalsContact CA-N 3.27Å
350	G	88.3	Confident	92.1	Very high	8 Å²	8	16.2 Å²	16.2	8%	0.082	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-150.8	179.4	173.6	0	0	0	0	0	111.5	H208 Y352 M353	H208-G350 WeakPolarHBondContact CB-O 3.33Å; H208-G350 CarbonylContact O-C 3.51Å; H208-G350 WeakPolarHBondContact O-CA 3.34Å; G350-Y352 PolarHBondContact O-N 2.87Å; G350-M353 PolarHBondContact N-O 2.6Å; G350-M353 CarbonylContact O-C 3.56Å; G350-M353 PolarHBondContact O-N 2.94Å
351	R	86.4	Confident	92.3	Very high	89 Å²	89	16 Å²	16	34%	0.336	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-31.8	-174.2	-170.6	173.8	-169.6	131.2	20.4	114.4	E789 W792	R351-E789 IonicContact CZ-OE1 3.39Å; R351-E789 IonicContact CZ-OE2 3.23Å; R351-E789 VanDerWaalsContact CZ-OE2 3.23Å; R351-E789 IonicContact NH1-OE2 3.29Å; R351-E789 PolarHBondContact NH1-OE2 3.19Å; R351-E789 VanDerWaalsContact NH2-CD 3.25Å; R351-E789 IonicContact NH2-OE1 3.71Å; R351-E789 PolarHBondContact NH2-OE1 2.99Å; R351-E789 IonicContact NH2-OE2 2.69Å; R351-E789 PolarHBondContact NH2-OE2 3.11Å; R351-W792 VanDerWaalsContact NH1-CZ3 3.31Å
352	Y	86.7	Confident	92.6	Very high	93 Å²	93	15.2 Å²	15.2	37%	0.365	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-8.3	-174	-50	-65.8	0	0	0	114.2	V259 H263 G350	V259-Y352 HydrophobicContact CG1-CE2 4.5Å; H263-Y352 HydrophobicContact CB-CE2 4.41Å; G350-Y352 PolarHBondContact O-N 2.87Å
353	M	90.4	Very high	92.9	Very high	17 Å²	17	12.4 Å²	12.4	8%	0.084	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-153.6	129	-172.6	-167.9	170.8	-69.1	0	0	111.8	F265 L269 Q271 G349 G350	F265-M353 HydrophobicContact CE1-CE 4.27Å; F265-M353 HydrophobicContact CE2-CE 4.13Å; F265-M353 HydrophobicContact CZ-CB 4.31Å; F265-M353 HydrophobicContact CZ-CE 3.76Å; L269-M353 HydrophobicContact CD1-CE 4.02Å; L269-M353 HydrophobicContact CD1-SD 4.08Å; Q271-M353 HydrophobicContact CG-SD 4.07Å; G349-M353 CarbonylContact C-O 3.59Å; G349-M353 WeakPolarHBondContact CA-O 3.35Å; G350-M353 PolarHBondContact N-O 2.6Å; G350-M353 CarbonylContact O-C 3.56Å; G350-M353 PolarHBondContact O-N 2.94Å
354	P	94	Very high	93.1	Very high	13 Å²	13	14.6 Å²	14.6	8%	0.084	7%	0.067	C	C	.	.			trans	-71.9	153.4	176.8	31.2	-35.8	0	0	0	111.8	G206 E207 K250 C253 G254	G206-P354 WeakPolarHBondContact O-CB 3.45Å; E207-P354 WeakPolarHBondContact O-CA 3.36Å; K250-P354 HydrophobicContact CB-CG 4.27Å; K250-P354 HydrophobicContact CG-CG 3.93Å; C253-P354 CarbonylContact C-O 3.6Å; C253-P354 WeakPolarHBondContact CA-O 3.43Å; G254-P354 PolarHBondContact N-O 3.48Å
355	G	93.9	Very high	93.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-78.1	-178.8	167.9	0	0	0	0	0	112.5	G206 E207 C253 G349	G206-G355 CarbonylContact C-O 3.56Å; G206-G355 VanDerWaalsContact CA-O 3.32Å; G206-G355 WeakPolarHBondContact CA-O 3.47Å; E207-G355 PolarHBondContact O-N 3.39Å; C253-G355 PolarHBondContact SG-O 3.05Å; G349-G355 VanDerWaalsContact CA-N 3.27Å
356	F	94.7	Very high	93.2	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	7%	0.067	C	C	.	.			trans	-95	158.3	166.2	65.1	-100	0	0	0	110.9	S204 G206 I242 L244 C253 I255 L272 G358 F360	S204-F356 VanDerWaalsContact CB-O 3.29Å; S204-F356 WeakPolarHBondContact CB-O 2.99Å; S204-F356 PolarHBondContact OG-O 2.89Å; S204-F356 VanDerWaalsContact OG-O 3.07Å; G206-F356 PolarHBondContact N-O 3.47Å; I242-F356 HydrophobicContact CB-CZ 3.9Å; I242-F356 HydrophobicContact CG2-CE1 4.16Å; I242-F356 HydrophobicContact CG2-CZ 3.83Å; L244-F356 HydrophobicContact CD2-CD1 4.28Å; L244-F356 HydrophobicContact CD2-CD2 3.42Å; L244-F356 VanDerWaalsContact CD2-CD2 3.42Å; L244-F356 HydrophobicContact CD2-CE1 4.37Å; L244-F356 HydrophobicContact CD2-CE2 3.57Å; L244-F356 HydrophobicContact CD2-CG 3.83Å; L244-F356 HydrophobicContact CD2-CZ 4.06Å; C253-F356 HydrophobicContact CB-CB 4.27Å; I255-F356 HydrophobicContact CG1-CD1 4.32Å; I255-F356 HydrophobicContact CG1-CE1 4.19Å; L272-F356 HydrophobicContact CD2-CB 3.87Å; L272-F356 HydrophobicContact CD2-CD1 4.4Å; L272-F356 HydrophobicContact CD2-CG 4.21Å; F356-G358 PolarHBondContact O-N 3.28Å; F356-F360 HydrophobicContact CD1-CE2 4.45Å; F356-F360 AromaticContact CD1-CZ 3.97Å; F356-F360 HydrophobicContact CD1-CZ 3.97Å; F356-F360 HydrophobicContact CE1-CD1 4.39Å; F356-F360 AromaticContact CE1-CE1 3.58Å; F356-F360 HydrophobicContact CE1-CE1 3.58Å; F356-F360 AromaticContact CE1-CE2 3.73Å; F356-F360 HydrophobicContact CE1-CE2 3.73Å; F356-F360 AromaticContact CE1-CZ 3.18Å; F356-F360 HydrophobicContact CE1-CZ 3.18Å; F356-F360 HydrophobicContact CE2-CE2 4.39Å; F356-F360 HydrophobicContact CZ-CD1 4.26Å; F356-F360 HydrophobicContact CZ-CD2 4.09Å; F356-F360 AromaticContact CZ-CE1 3.88Å; F356-F360 HydrophobicContact CZ-CE1 3.88Å; F356-F360 AromaticContact CZ-CE2 3.67Å; F356-F360 HydrophobicContact CZ-CE2 3.67Å; F356-F360 HydrophobicContact CZ-CG 4.36Å; F356-F360 AromaticContact CZ-CZ 3.56Å; F356-F360 HydrophobicContact CZ-CZ 3.56Å
357	A	94.4	Very high	93	Very high	11 Å²	11	15.3 Å²	15.3	9%	0.091	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	112.7	174.7	0	0	0	0	0	110.5	S204 L245 K246	S204-A357 WeakPolarHBondContact O-CA 3.43Å; L245-A357 WeakPolarHBondContact CB-O 3.48Å; L245-A357 PolarHBondContact N-O 3.35Å; L245-A357 VanDerWaalsContact N-O 3.08Å; K246-A357 PolarHBondContact N-O 3.01Å
358	G	95.2	Very high	92.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-149.2	-173.8	0	0	0	0	0	114.1	S204 Y243 F356	S204-G358 PolarHBondContact N-O 3.3Å; S204-G358 PolarHBondContact O-N 3.34Å; Y243-G358 CarbonylContact O-C 3.55Å; Y243-G358 VanDerWaalsContact O-CA 3.26Å; Y243-G358 WeakPolarHBondContact O-CA 3.46Å; F356-G358 PolarHBondContact O-N 3.28Å
359	Y	96.6	Very high	92.3	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.2	-179.3	-46.8	-80.1	0	0	0	111.6	L202 A203 I242 Y243 L245 L386 H390 L546 A550	L202-Y359 CarbonylContact O-C 3.56Å; L202-Y359 VanDerWaalsContact O-CA 3.3Å; L202-Y359 WeakPolarHBondContact O-CA 3.47Å; A203-Y359 HydrophobicContact CB-CD1 4.12Å; A203-Y359 HydrophobicContact CB-CE1 4.16Å; I242-Y359 CarbonylContact C-O 3.49Å; I242-Y359 WeakPolarHBondContact CA-O 3.27Å; Y243-Y359 AromaticContact CD1-CD2 3.66Å; Y243-Y359 HydrophobicContact CD1-CD2 3.66Å; Y243-Y359 HydrophobicContact CD1-CE2 4.01Å; Y243-Y359 HydrophobicContact CE1-CD2 4.42Å; Y243-Y359 HydrophobicContact CE1-CE2 4.36Å; Y243-Y359 HydrophobicContact CG-CD2 4.07Å; Y243-Y359 PolarHBondContact N-O 3.04Å; Y243-Y359 PolarHBondContact O-N 2.87Å; L245-Y359 HydrophobicContact CD1-CE2 4.01Å; L245-Y359 HydrophobicContact CD2-CE2 4.07Å; L245-Y359 HydrophobicContact CG-CE2 4.13Å; Y359-L386 HydrophobicContact CD1-CD2 4.01Å; Y359-L386 HydrophobicContact CD2-CD2 3.67Å; Y359-L386 HydrophobicContact CD2-CG 4.45Å; Y359-L386 HydrophobicContact CE1-CD1 4.32Å; Y359-L386 HydrophobicContact CE1-CD2 4.14Å; Y359-L386 HydrophobicContact CE2-CD1 4.15Å; Y359-L386 HydrophobicContact CE2-CD2 3.79Å; Y359-L386 HydrophobicContact CE2-CG 4.14Å; Y359-L386 HydrophobicContact CG-CD2 3.79Å; Y359-H390 AromaticContact CE2-NE2 3.42Å; Y359-H390 WeakPolarHBondContact CE2-NE2 3.32Å; Y359-H390 AromaticContact CZ-NE2 3.59Å; Y359-H390 PolarHBondContact OH-CE1 3.48Å; Y359-H390 PolarHBondContact OH-NE2 3.23Å; Y359-L546 HydrophobicContact CD1-CB 4.29Å; Y359-L546 HydrophobicContact CE1-CB 3.87Å; Y359-L546 WeakPolarHBondContact CE1-O 3.27Å; Y359-A550 HydrophobicContact CD1-CB 4.46Å; Y359-A550 HydrophobicContact CE1-CB 3.6Å
360	F	96.3	Very high	92.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.2	161	-63.6	-99	0	0	0	107.8	L198 P201 L202 V240 W241 I242 I255 I347 G348 F356	L198-F360 HydrophobicContact CD1-CB 3.67Å; L198-F360 HydrophobicContact CD1-CG 4.5Å; P201-F360 CarbonylContact C-O 3.29Å; P201-F360 WeakPolarHBondContact CA-O 3.12Å; L202-F360 HydrophobicContact CB-CB 4.25Å; L202-F360 HydrophobicContact CD2-CB 4.46Å; L202-F360 HydrophobicContact CD2-CD2 3.98Å; L202-F360 HydrophobicContact CD2-CG 4.43Å; L202-F360 HydrophobicContact CG-CD2 4.46Å; L202-F360 PolarHBondContact N-O 3.46Å; L202-F360 PolarHBondContact O-N 2.73Å; V240-F360 HydrophobicContact CG2-CD1 4.01Å; W241-F360 CarbonylContact O-C 3.07Å; W241-F360 WeakPolarHBondContact O-CA 3.39Å; I242-F360 HydrophobicContact CG2-CD1 3.9Å; I242-F360 HydrophobicContact CG2-CE1 4.16Å; I255-F360 HydrophobicContact CG2-CE1 3.97Å; I255-F360 WeakPolarHBondContact O-CE1 3.39Å; I347-F360 HydrophobicContact CG2-CD1 3.78Å; I347-F360 HydrophobicContact CG2-CE1 3.9Å; I347-F360 HydrophobicContact CG2-CG 4.16Å; I347-F360 HydrophobicContact CG2-CZ 4.38Å; G348-F360 VanDerWaalsContact CA-CZ 3.45Å; F356-F360 HydrophobicContact CD1-CE2 4.45Å; F356-F360 AromaticContact CD1-CZ 3.97Å; F356-F360 HydrophobicContact CD1-CZ 3.97Å; F356-F360 HydrophobicContact CE1-CD1 4.39Å; F356-F360 AromaticContact CE1-CE1 3.58Å; F356-F360 HydrophobicContact CE1-CE1 3.58Å; F356-F360 AromaticContact CE1-CE2 3.73Å; F356-F360 HydrophobicContact CE1-CE2 3.73Å; F356-F360 AromaticContact CE1-CZ 3.18Å; F356-F360 HydrophobicContact CE1-CZ 3.18Å; F356-F360 HydrophobicContact CE2-CE2 4.39Å; F356-F360 HydrophobicContact CZ-CD1 4.26Å; F356-F360 HydrophobicContact CZ-CD2 4.09Å; F356-F360 AromaticContact CZ-CE1 3.88Å; F356-F360 HydrophobicContact CZ-CE1 3.88Å; F356-F360 AromaticContact CZ-CE2 3.67Å; F356-F360 HydrophobicContact CZ-CE2 3.67Å; F356-F360 HydrophobicContact CZ-CG 4.36Å; F356-F360 AromaticContact CZ-CZ 3.56Å; F356-F360 HydrophobicContact CZ-CZ 3.56Å
361	G	94.8	Very high	92.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-152.6	170.5	0	0	0	0	0	111.3	W241 F363	W241-G361 PolarHBondContact O-N 3.11Å; G361-F363 PolarHBondContact O-N 2.96Å
362	P	94.8	Very high	92.1	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.052	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	130.1	176.2	-29.1	37.4	0	0	0	113.2	L198 W241 N375 H378	L198-P362 WeakPolarHBondContact O-CA 3.43Å; W241-P362 PolarHBondContact N-O 3.49Å; P362-N375 WeakPolarHBondContact CB-OD1 3.4Å; P362-N375 PolarHBondContact O-ND2 3.49Å; P362-H378 WeakPolarHBondContact CD-O 3.49Å; P362-H378 HydrophobicContact CG-CB 4Å; P362-H378 WeakPolarHBondContact CG-O 3.18Å
363	F	95.4	Very high	92.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.5	177.8	-160.5	138.8	0	0	0	107.7	D196 L197 L198 F238 S239 V240 I256 I347 G361	D196-F363 CarbonylContact C-O 3.55Å; L197-F363 HydrophobicContact CB-CB 3.96Å; L197-F363 HydrophobicContact CB-CD2 3.93Å; L197-F363 HydrophobicContact CB-CG 3.98Å; L197-F363 HydrophobicContact CD1-CD2 3.75Å; L197-F363 HydrophobicContact CD1-CE2 3.77Å; L197-F363 HydrophobicContact CD1-CG 4.38Å; L197-F363 HydrophobicContact CD1-CZ 4.41Å; L197-F363 HydrophobicContact CG-CD2 4.31Å; L197-F363 PolarHBondContact N-O 3.19Å; L198-F363 HydrophobicContact CB-CB 3.79Å; L198-F363 HydrophobicContact CD1-CB 4.07Å; L198-F363 HydrophobicContact CG-CB 3.93Å; L198-F363 PolarHBondContact N-O 3.17Å; L198-F363 VanDerWaalsContact N-O 3.17Å; L198-F363 PolarHBondContact O-N 2.94Å; L198-F363 VanDerWaalsContact O-N 3.1Å; F238-F363 HydrophobicContact CB-CE2 4Å; F238-F363 HydrophobicContact CD2-CE2 4.15Å; F238-F363 HydrophobicContact CD2-CZ 4.08Å; F238-F363 HydrophobicContact CG-CE2 4.44Å; S239-F363 CarbonylContact O-C 3.56Å; S239-F363 WeakPolarHBondContact O-CA 3.41Å; V240-F363 HydrophobicContact CB-CD1 3.65Å; V240-F363 HydrophobicContact CB-CD2 4.3Å; V240-F363 HydrophobicContact CB-CE1 3.74Å; V240-F363 HydrophobicContact CB-CE2 4.39Å; V240-F363 HydrophobicContact CB-CG 3.91Å; V240-F363 HydrophobicContact CB-CZ 4.09Å; V240-F363 HydrophobicContact CG1-CE1 4.28Å; V240-F363 HydrophobicContact CG1-CZ 4.49Å; V240-F363 HydrophobicContact CG2-CB 4.25Å; V240-F363 HydrophobicContact CG2-CD1 3.33Å; V240-F363 HydrophobicContact CG2-CE1 3.7Å; V240-F363 HydrophobicContact CG2-CG 3.89Å; I256-F363 HydrophobicContact CB-CE1 4.08Å; I256-F363 HydrophobicContact CB-CZ 3.97Å; I256-F363 HydrophobicContact CD1-CE1 4.02Å; I256-F363 HydrophobicContact CD1-CE2 4.06Å; I256-F363 HydrophobicContact CD1-CZ 3.38Å; I256-F363 HydrophobicContact CG1-CZ 4.25Å; I256-F363 HydrophobicContact CG2-CE1 4.5Å; I256-F363 HydrophobicContact CG2-CZ 4.06Å; I347-F363 HydrophobicContact CD1-CD1 4.05Å; I347-F363 HydrophobicContact CG1-CD1 4.36Å; I347-F363 HydrophobicContact CG1-CE1 4.37Å; I347-F363 HydrophobicContact CG2-CD1 3.92Å; I347-F363 HydrophobicContact CG2-CE1 4.07Å; G361-F363 PolarHBondContact O-N 2.96Å
364	K	94.9	Very high	92.1	Very high	49 Å²	49	30.8 Å²	30.8	21%	0.213	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.3	172.9	-69.6	-169.4	176.1	-174.7	0	111.5	D196 F238 S239 Y366 T374 N375	D196-K364 VanDerWaalsContact OD1-CE 3.29Å; D196-K364 WeakPolarHBondContact OD1-CE 3.46Å; F238-K364 WeakPolarHBondContact CA-O 3.45Å; S239-K364 PolarHBondContact N-O 3.27Å; S239-K364 PolarHBondContact O-N 3.49Å; K364-Y366 HydrophobicContact CB-CE2 3.91Å; K364-T374 WeakPolarHBondContact CD-O 3.41Å; K364-T374 WeakPolarHBondContact CE-O 3.23Å; K364-T374 PolarHBondContact NZ-O 2.79Å; K364-N375 HydrophobicContact CD-CB 4.38Å
365	Y	94	Very high	91.9	Very high	8 Å²	8	30.4 Å²	30.4	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.6	176.4	175.4	-128.2	0	0	0	110	V194 V195 F215 A237 F238 F338 D340 R367	V194-Y365 CarbonylContact C-O 3.58Å; V194-Y365 WeakPolarHBondContact CA-O 2.94Å; V195-Y365 PolarHBondContact N-O 2.53Å; V195-Y365 PolarHBondContact O-N 3.32Å; F215-Y365 HydrophobicContact CD2-CD1 4.47Å; F215-Y365 HydrophobicContact CD2-CE1 4.02Å; F215-Y365 AromaticContact CE1-CD1 3.97Å; F215-Y365 HydrophobicContact CE1-CD1 3.97Å; F215-Y365 HydrophobicContact CE1-CE1 4.4Å; F215-Y365 AromaticContact CE2-CD1 3.54Å; F215-Y365 HydrophobicContact CE2-CD1 3.54Å; F215-Y365 AromaticContact CE2-CE1 3.38Å; F215-Y365 HydrophobicContact CE2-CE1 3.38Å; F215-Y365 AromaticContact CZ-CD1 3.23Å; F215-Y365 HydrophobicContact CZ-CD1 3.23Å; F215-Y365 AromaticContact CZ-CE1 3.6Å; F215-Y365 HydrophobicContact CZ-CE1 3.6Å; F215-Y365 HydrophobicContact CZ-CG 4.22Å; A237-Y365 WeakPolarHBondContact O-CD2 3.21Å; F238-Y365 HydrophobicContact CB-CD2 4.16Å; F338-Y365 HydrophobicContact CE1-CE2 4.49Å; F338-Y365 WeakPolarHBondContact CE1-OH 3.43Å; F338-Y365 HydrophobicContact CZ-CE2 4.34Å; F338-Y365 WeakPolarHBondContact CZ-OH 3.09Å; D340-Y365 HydrophobicContact CB-CE1 4.45Å; D340-Y365 VanDerWaalsContact CB-OH 3.23Å; D340-Y365 WeakPolarHBondContact CB-OH 3.47Å; D340-Y365 PolarHBondContact OD2-OH 3.14Å; Y365-R367 HydrophobicContact CD1-CG 3.87Å; Y365-R367 HydrophobicContact CE1-CB 4.43Å; Y365-R367 HydrophobicContact CE1-CG 3.54Å
366	Y	93.1	Very high	91.7	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	96.9	-176.7	-59	-102.3	0	0	0	107.7	V194 A237 K364 L368 G369 T370 I373 T374	V194-Y366 HydrophobicContact CB-CD1 4.34Å; V194-Y366 HydrophobicContact CB-CE1 4.49Å; V194-Y366 HydrophobicContact CG1-CD1 3.97Å; V194-Y366 HydrophobicContact CG1-CE1 3.8Å; V194-Y366 HydrophobicContact CG1-CG 4.48Å; V194-Y366 HydrophobicContact CG2-CD1 3.56Å; V194-Y366 HydrophobicContact CG2-CE1 3.82Å; V194-Y366 HydrophobicContact CG2-CG 4.49Å; A237-Y366 HydrophobicContact CB-CD2 4.38Å; A237-Y366 PolarHBondContact N-O 3.03Å; A237-Y366 WeakPolarHBondContact O-CB 3.26Å; A237-Y366 PolarHBondContact O-N 3.02Å; K364-Y366 HydrophobicContact CB-CE2 3.91Å; Y366-L368 PolarHBondContact O-N 3.15Å; Y366-G369 PolarHBondContact O-N 3.35Å; Y366-T370 HydrophobicContact CD1-CG2 3.6Å; Y366-T370 HydrophobicContact CD2-CG2 4.18Å; Y366-T370 HydrophobicContact CE1-CG2 3.89Å; Y366-T370 HydrophobicContact CE2-CG2 4.44Å; Y366-T370 HydrophobicContact CG-CG2 3.78Å; Y366-I373 HydrophobicContact CD2-CG1 4.43Å; Y366-I373 HydrophobicContact CE2-CB 4.48Å; Y366-I373 HydrophobicContact CE2-CG1 4Å; Y366-I373 HydrophobicContact CE2-CG2 4.21Å; Y366-T374 PolarHBondContact OH-N 3.39Å
367	R	90.3	Very high	91.3	Very high	16 Å²	16	39.7 Å²	39.7	6%	0.06	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.8	-170	-65	-174.3	73.8	177.2	10.9	114.1	D193 V195 R216 F218 T236 D340 Y365	D193-R367 VanDerWaalsContact O-CB 3.32Å; D193-R367 WeakPolarHBondContact O-CB 3.45Å; D193-R367 VanDerWaalsContact O-CG 3.27Å; D193-R367 WeakPolarHBondContact O-CG 3.48Å; D193-R367 PolarHBondContact O-N 3.48Å; V195-R367 HydrophobicContact CG2-CG 4.34Å; R216-R367 PolarHBondContact O-NH1 2.81Å; R216-R367 PolarHBondContact O-NH2 2.99Å; F218-R367 HydrophobicContact CE2-CB 4.41Å; F218-R367 HydrophobicContact CZ-CB 3.84Å; F218-R367 HydrophobicContact CZ-CG 4.34Å; T236-R367 WeakPolarHBondContact CG2-O 3.27Å; D340-R367 VanDerWaalsContact CG-NH2 3.31Å; D340-R367 IonicContact OD1-NH2 2.73Å; D340-R367 PolarHBondContact OD1-NH2 2.95Å; D340-R367 IonicContact OD2-CZ 3.76Å; D340-R367 IonicContact OD2-NE 2.76Å; D340-R367 PolarHBondContact OD2-NE 2.87Å; D340-R367 IonicContact OD2-NH2 2.71Å; D340-R367 PolarHBondContact OD2-NH2 3.22Å; Y365-R367 HydrophobicContact CD1-CG 3.87Å; Y365-R367 HydrophobicContact CE1-CB 4.43Å; Y365-R367 HydrophobicContact CE1-CG 3.54Å
368	L	87.6	Confident	91	Very high	40 Å²	40	44.6 Å²	44.6	21%	0.209	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	12.7	-179.4	-57.3	179.4	0	0	0	112.4	D193 F218 L223 V226 S235 Y366	D193-L368 HydrophobicContact CB-CB 4.27Å; D193-L368 HydrophobicContact CB-CD1 3.94Å; D193-L368 HydrophobicContact CB-CG 3.98Å; F218-L368 HydrophobicContact CE2-CD2 4.27Å; F218-L368 HydrophobicContact CZ-CD1 4.43Å; F218-L368 HydrophobicContact CZ-CG 4.31Å; L223-L368 HydrophobicContact CD2-CD1 3.93Å; V226-L368 HydrophobicContact CB-CD2 4.31Å; V226-L368 HydrophobicContact CG1-CD2 3.96Å; S235-L368 CarbonylContact O-C 3.59Å; Y366-L368 PolarHBondContact O-N 3.15Å
369	G	86.5	Confident	90.7	Very high	13 Å²	13	45.6 Å²	45.6	13%	0.134	23%	0.234	C	C	.	.			trans	81.7	172.8	-179.9	0	0	0	0	0	113.3	S235 Y366	S235-G369 WeakPolarHBondContact O-CA 3.37Å; S235-G369 PolarHBondContact O-N 3.21Å; Y366-G369 PolarHBondContact O-N 3.35Å
370	T	89.4	Confident	90.4	Very high	47 Å²	47	49.9 Å²	49.9	29%	0.288	26%	0.257	S	S	.	.			trans	-158.4	148.2	172	-177	0	0	0	0	109.2	A237 Y309 Y366 E372 I373	A237-T370 HydrophobicContact CB-CG2 4.26Å; Y309-T370 WeakPolarHBondContact CE1-O 3.38Å; Y366-T370 HydrophobicContact CD1-CG2 3.6Å; Y366-T370 HydrophobicContact CD2-CG2 4.18Å; Y366-T370 HydrophobicContact CE1-CG2 3.89Å; Y366-T370 HydrophobicContact CE2-CG2 4.44Å; Y366-T370 HydrophobicContact CG-CG2 3.78Å; T370-E372 WeakPolarHBondContact CG2-O 3.29Å; T370-E372 PolarHBondContact OG1-N 2.94Å; T370-E372 PolarHBondContact OG1-O 3.42Å; T370-I373 HydrophobicContact CG2-CG1 3.65Å
371	D	84	Confident	90.1	Very high	164 Å²	164	52 Å²	52	88%	0.877	27%	0.272	S	S	*	.	S	Bend	trans	-73.4	-34.1	171.1	-62.6	-43.1	0	0	0	111.3
372	E	86.3	Confident	90	Very high	154 Å²	154	52.1 Å²	52.1	72%	0.72	27%	0.273	S	S	*	.	S	Bend	trans	-129.5	128	178.8	-67.7	-167.7	170.2	0	0	111.9	T370	T370-E372 WeakPolarHBondContact CG2-O 3.29Å; T370-E372 PolarHBondContact OG1-N 2.94Å; T370-E372 PolarHBondContact OG1-O 3.42Å
373	I	89.3	Confident	89.8	Confident	20 Å²	20	51.8 Å²	51.8	10%	0.103	27%	0.271	C	S	.	.			trans	-89.8	127	176.4	-74.9	177.1	0	0	0	110.6	A237 D307 Y309 Y366 T370 N375	A237-I373 HydrophobicContact CB-CD1 4.15Å; D307-I373 HydrophobicContact CB-CD1 3.98Å; Y309-I373 HydrophobicContact CD1-CD1 4.42Å; Y309-I373 HydrophobicContact CD2-CD1 4.48Å; Y309-I373 HydrophobicContact CE1-CD1 3.78Å; Y309-I373 HydrophobicContact CE1-CG1 3.86Å; Y309-I373 HydrophobicContact CE2-CD1 3.83Å; Y309-I373 VanDerWaalsContact CZ-CD1 3.42Å; Y309-I373 WeakPolarHBondContact OH-CD1 3.48Å; Y309-I373 WeakPolarHBondContact OH-CG1 3.5Å; Y366-I373 HydrophobicContact CD2-CG1 4.43Å; Y366-I373 HydrophobicContact CE2-CB 4.48Å; Y366-I373 HydrophobicContact CE2-CG1 4Å; Y366-I373 HydrophobicContact CE2-CG2 4.21Å; T370-I373 HydrophobicContact CG2-CG1 3.65Å; I373-N375 HydrophobicContact CG2-CB 4.08Å
374	T	88.4	Confident	89.7	Confident	95 Å²	95	55.8 Å²	55.8	58%	0.583	29%	0.289	S	S	*	.			trans	-110.7	79.7	176.2	54.6	0	0	0	0	111.8	K364 Y366	K364-T374 WeakPolarHBondContact CD-O 3.41Å; K364-T374 WeakPolarHBondContact CE-O 3.23Å; K364-T374 PolarHBondContact NZ-O 2.79Å; Y366-T374 PolarHBondContact OH-N 3.39Å
375	N	90.1	Very high	89.7	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.286	C	S	.	.			trans	-124.9	89.3	178.9	-166.5	26.9	0	0	0	112.2	S239 W241 P362 K364 I373	S239-N375 WeakPolarHBondContact CB-ND2 3.25Å; S239-N375 PolarHBondContact O-ND2 2.81Å; S239-N375 VanDerWaalsContact O-ND2 3.12Å; S239-N375 VanDerWaalsContact OG-CB 3.26Å; S239-N375 WeakPolarHBondContact OG-CB 3.35Å; S239-N375 PolarHBondContact OG-ND2 3.16Å; W241-N375 PolarHBondContact NE1-O 3.4Å; P362-N375 WeakPolarHBondContact CB-OD1 3.4Å; P362-N375 PolarHBondContact O-ND2 3.49Å; K364-N375 HydrophobicContact CD-CB 4.38Å; I373-N375 HydrophobicContact CG2-CB 4.08Å
376	Q	89.4	Confident	89.7	Confident	170 Å²	170	54.5 Å²	54.5	79%	0.794	28%	0.284	S	S	*	.			trans	-84	147.7	175.6	-64.1	-178.8	0.3	0	0	110.9	H378	Q376-H378 PolarHBondContact O-N 2.82Å
377	L	87.3	Confident	89.7	Confident	26 Å²	26	56.2 Å²	56.2	14%	0.136	29%	0.294	C	S	.	.			trans	-67.6	120.4	177.4	-177	60.5	0	0	0	110.3	W241 W303 L380 A383	W241-L377 HydrophobicContact CB-CD1 4.15Å; W241-L377 HydrophobicContact CD2-CB 4.16Å; W241-L377 HydrophobicContact CD2-CD1 4.06Å; W241-L377 HydrophobicContact CE3-CD1 4.34Å; W241-L377 HydrophobicContact CG-CD1 3.99Å; W241-L377 HydrophobicContact CH2-CB 4.44Å; W241-L377 HydrophobicContact CZ2-CB 4.06Å; W303-L377 HydrophobicContact CB-CD2 4.17Å; W303-L377 HydrophobicContact CD2-CD1 3.97Å; W303-L377 HydrophobicContact CD2-CD2 3.97Å; W303-L377 HydrophobicContact CE3-CD1 3.88Å; W303-L377 HydrophobicContact CG-CD2 3.73Å; W303-L377 HydrophobicContact CH2-CD1 4.4Å; W303-L377 HydrophobicContact CZ2-CD1 4.47Å; W303-L377 HydrophobicContact CZ3-CD1 4.11Å; L377-L380 HydrophobicContact CB-CD1 4.47Å; L377-L380 HydrophobicContact CD2-CD1 4.33Å; L377-L380 HydrophobicContact CG-CD1 4.48Å; L377-A383 HydrophobicContact CD1-CB 4.01Å; L377-A383 HydrophobicContact CD2-CB 3.8Å; L377-A383 HydrophobicContact CG-CB 3.77Å
378	H	86.7	Confident	89.9	Confident	114 Å²	114	61 Å²	61	53%	0.528	31%	0.312	S	S	.	.	S	Bend	trans	-146.9	139.6	-171	-175.9	-83.4	0	0	0	111.5	P362 Q376	P362-H378 WeakPolarHBondContact CD-O 3.49Å; P362-H378 HydrophobicContact CG-CB 4Å; P362-H378 WeakPolarHBondContact CG-O 3.18Å; Q376-H378 PolarHBondContact O-N 2.82Å
379	P	89.1	Confident	90.2	Very high	22 Å²	22	59.6 Å²	59.6	14%	0.143	31%	0.306	C	S	.	.	S	Bend	cis	-65.8	128.7	-12.1	-16.5	31.2	0	0	0	110.7	F200 S381 T382 A383	F200-P379 HydrophobicContact CD2-CG 3.97Å; F200-P379 HydrophobicContact CE2-CG 4.23Å; P379-S381 VanDerWaalsContact C-N 3.3Å; P379-S381 PolarHBondContact O-N 2.9Å; P379-T382 PolarHBondContact O-N 3.47Å; P379-A383 WeakPolarHBondContact O-CB 3.47Å; P379-A383 PolarHBondContact O-N 3.01Å
380	L	90.6	Very high	90.5	Very high	90 Å²	90	59.6 Å²	59.6	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-36.4	-175.7	-177.3	63.2	0	0	0	111.7	L377 A383 Q384	L377-L380 HydrophobicContact CB-CD1 4.47Å; L377-L380 HydrophobicContact CD2-CD1 4.33Å; L377-L380 HydrophobicContact CG-CD1 4.48Å; L380-A383 PolarHBondContact O-N 3.14Å; L380-Q384 HydrophobicContact CD1-CG 4.32Å; L380-Q384 HydrophobicContact CG-CG 4.45Å; L380-Q384 WeakPolarHBondContact O-CB 3.46Å; L380-Q384 VanDerWaalsContact O-CG 3.27Å; L380-Q384 WeakPolarHBondContact O-CG 3.35Å; L380-Q384 PolarHBondContact O-N 3.42Å
381	S	91.1	Very high	90.6	Very high	46 Å²	46	61.7 Å²	61.7	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-52.7	178.6	56.4	0	0	0	0	111.6	P379 A383 Q384 E385 E539	P379-S381 VanDerWaalsContact C-N 3.3Å; P379-S381 PolarHBondContact O-N 2.9Å; S381-A383 PolarHBondContact O-N 2.84Å; S381-Q384 PolarHBondContact O-N 3.02Å; S381-E385 PolarHBondContact O-N 2.87Å; S381-E539 WeakPolarHBondContact OG-CG 3.3Å; S381-E539 PolarHBondContact OG-OE1 2.81Å
382	T	92.1	Very high	90.9	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-57.1	-44.9	174.1	-51.1	0	0	0	0	112.2	P379 Q384 E385 L386 H542 L546	P379-T382 PolarHBondContact O-N 3.47Å; T382-Q384 VanDerWaalsContact C-N 3.34Å; T382-Q384 PolarHBondContact O-N 2.81Å; T382-E385 PolarHBondContact O-N 2.87Å; T382-L386 WeakPolarHBondContact O-CB 3.4Å; T382-L386 PolarHBondContact O-N 2.98Å; T382-H542 HydrophobicContact CG2-CB 3.53Å; T382-L546 HydrophobicContact CG2-CD1 4.33Å
383	A	91.1	Very high	91.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-67.5	-32.4	-178.1	0	0	0	0	0	113.2	W303 L377 P379 L380 S381 D387	W303-A383 HydrophobicContact CZ2-CB 3.81Å; W303-A383 PolarHBondContact NE1-O 3.03Å; L377-A383 HydrophobicContact CD1-CB 4.01Å; L377-A383 HydrophobicContact CD2-CB 3.8Å; L377-A383 HydrophobicContact CG-CB 3.77Å; P379-A383 WeakPolarHBondContact O-CB 3.47Å; P379-A383 PolarHBondContact O-N 3.01Å; L380-A383 PolarHBondContact O-N 3.14Å; S381-A383 PolarHBondContact O-N 2.84Å; A383-D387 PolarHBondContact O-N 3.33Å
384	Q	92.9	Very high	91.2	Very high	83 Å²	83	52.1 Å²	52.1	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-74.2	-39.6	171.3	-72.3	176.3	0.6	0	0	112.4	L380 S381 T382 L386 D387 R388	L380-Q384 HydrophobicContact CD1-CG 4.32Å; L380-Q384 HydrophobicContact CG-CG 4.45Å; L380-Q384 WeakPolarHBondContact O-CB 3.46Å; L380-Q384 VanDerWaalsContact O-CG 3.27Å; L380-Q384 WeakPolarHBondContact O-CG 3.35Å; L380-Q384 PolarHBondContact O-N 3.42Å; S381-Q384 PolarHBondContact O-N 3.02Å; T382-Q384 VanDerWaalsContact C-N 3.34Å; T382-Q384 PolarHBondContact O-N 2.81Å; Q384-L386 VanDerWaalsContact C-N 3.33Å; Q384-D387 WeakPolarHBondContact O-CB 3.33Å; Q384-D387 PolarHBondContact O-N 3.2Å; Q384-R388 WeakPolarHBondContact O-CG 3.26Å; Q384-R388 PolarHBondContact O-N 2.88Å
385	E	95.1	Very high	91.2	Very high	31 Å²	31	51.7 Å²	51.7	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-35.9	179.3	-165.7	59.3	-158.1	0	0	111.7	S381 T382 D387 R388 A389 E539 K540 A543	S381-E385 PolarHBondContact O-N 2.87Å; T382-E385 PolarHBondContact O-N 2.87Å; E385-D387 VanDerWaalsContact C-N 3.32Å; E385-D387 PolarHBondContact O-N 3.46Å; E385-R388 PolarHBondContact O-N 2.88Å; E385-R388 WeakPolarHBondContact OE2-CD 3.45Å; E385-R388 IonicContact OE2-CZ 2.62Å; E385-R388 IonicContact OE2-NE 3.62Å; E385-R388 IonicContact OE2-NH1 3.46Å; E385-R388 PolarHBondContact OE2-NH1 3.42Å; E385-A389 VanDerWaalsContact O-CB 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.41Å; E385-A389 PolarHBondContact O-N 3.21Å; E385-E539 HydrophobicContact CB-CB 4.34Å; E385-E539 HydrophobicContact CG-CB 4.44Å; E385-K540 HydrophobicContact CG-CB 4.47Å; E385-K540 HydrophobicContact CG-CG 3.7Å; E385-K540 VanDerWaalsContact OE1-CE 3.25Å; E385-K540 WeakPolarHBondContact OE1-CE 3.27Å; E385-K540 WeakPolarHBondContact OE1-CG 3.33Å; E385-A543 HydrophobicContact CB-CB 4.4Å; E385-A543 HydrophobicContact CG-CB 4.28Å
386	L	94.2	Very high	91.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-41.5	171.4	-173.3	62.2	0	0	0	112.1	W303 Y359 T382 Q384 H390 A543 L546 I547	W303-L386 HydrophobicContact CZ2-CD2 4.06Å; Y359-L386 HydrophobicContact CD1-CD2 4.01Å; Y359-L386 HydrophobicContact CD2-CD2 3.67Å; Y359-L386 HydrophobicContact CD2-CG 4.45Å; Y359-L386 HydrophobicContact CE1-CD1 4.32Å; Y359-L386 HydrophobicContact CE1-CD2 4.14Å; Y359-L386 HydrophobicContact CE2-CD1 4.15Å; Y359-L386 HydrophobicContact CE2-CD2 3.79Å; Y359-L386 HydrophobicContact CE2-CG 4.14Å; Y359-L386 HydrophobicContact CG-CD2 3.79Å; T382-L386 WeakPolarHBondContact O-CB 3.4Å; T382-L386 PolarHBondContact O-N 2.98Å; Q384-L386 VanDerWaalsContact C-N 3.33Å; L386-H390 PolarHBondContact O-CD2 2.78Å; L386-H390 PolarHBondContact O-N 2.77Å; L386-H390 VanDerWaalsContact O-N 3.09Å; L386-A543 HydrophobicContact CB-CB 4.32Å; L386-A543 HydrophobicContact CD1-CB 4.32Å; L386-L546 HydrophobicContact CD1-CB 4.44Å; L386-L546 HydrophobicContact CD2-CD1 4.46Å; L386-I547 HydrophobicContact CD1-CD1 4.04Å; L386-I547 HydrophobicContact CD1-CG1 3.7Å
387	D	92.6	Very high	91	Very high	42 Å²	42	47.5 Å²	47.5	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-45.9	176.5	-169.8	51.6	0	0	0	111.9	Y243 A383 Q384 E385 A389 H390 M391	Y243-D387 HydrophobicContact CE2-CB 4.49Å; Y243-D387 WeakPolarHBondContact CE2-OD1 3.4Å; Y243-D387 PolarHBondContact OH-OD1 3.24Å; Y243-D387 VanDerWaalsContact OH-OD1 3.12Å; A383-D387 PolarHBondContact O-N 3.33Å; Q384-D387 WeakPolarHBondContact O-CB 3.33Å; Q384-D387 PolarHBondContact O-N 3.2Å; E385-D387 VanDerWaalsContact C-N 3.32Å; E385-D387 PolarHBondContact O-N 3.46Å; D387-A389 VanDerWaalsContact C-N 3.35Å; D387-A389 PolarHBondContact O-N 3.39Å; D387-H390 PolarHBondContact O-N 3.32Å; D387-M391 WeakPolarHBondContact O-CG 3.38Å; D387-M391 PolarHBondContact O-N 2.85Å; D387-M391 WeakPolarHBondContact OD2-CE 3.32Å
388	R	93.9	Very high	91	Very high	117 Å²	117	50.8 Å²	50.8	44%	0.442	26%	0.262	S	S	.	.	H	α-helix	trans	-57.2	-45.9	173.3	-69.2	176.9	-160.4	114.5	9	112.1	Q384 E385 H390 M391 A392	Q384-R388 WeakPolarHBondContact O-CG 3.26Å; Q384-R388 PolarHBondContact O-N 2.88Å; E385-R388 PolarHBondContact O-N 2.88Å; E385-R388 WeakPolarHBondContact OE2-CD 3.45Å; E385-R388 IonicContact OE2-CZ 2.62Å; E385-R388 IonicContact OE2-NE 3.62Å; E385-R388 IonicContact OE2-NH1 3.46Å; E385-R388 PolarHBondContact OE2-NH1 3.42Å; R388-H390 PolarHBondContact O-N 2.67Å; R388-M391 PolarHBondContact O-N 3.4Å; R388-A392 WeakPolarHBondContact O-CB 3.25Å; R388-A392 PolarHBondContact O-N 2.82Å
389	A	93.5	Very high	90.9	Very high	10 Å²	10	45.9 Å²	45.9	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-44.6	179	0	0	0	0	0	111.2	E385 D387 C393 I547	E385-A389 VanDerWaalsContact O-CB 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.41Å; E385-A389 PolarHBondContact O-N 3.21Å; D387-A389 VanDerWaalsContact C-N 3.35Å; D387-A389 PolarHBondContact O-N 3.39Å; A389-C393 WeakPolarHBondContact O-CB 3.41Å; A389-C393 PolarHBondContact O-N 3.45Å; A389-I547 HydrophobicContact CB-CD1 3.84Å
390	H	93.1	Very high	90.6	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.06	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-39.3	176.4	-78.3	-53.4	0	0	0	113.4	W301 Y359 L386 D387 R388 C393 Q394	W301-H390 HydrophobicContact CE3-CB 3.91Å; W301-H390 HydrophobicContact CZ3-CB 4.1Å; W301-H390 AromaticContact CZ3-CG 3.87Å; W301-H390 AromaticContact CZ3-ND1 3.55Å; Y359-H390 AromaticContact CE2-NE2 3.42Å; Y359-H390 WeakPolarHBondContact CE2-NE2 3.32Å; Y359-H390 AromaticContact CZ-NE2 3.59Å; Y359-H390 PolarHBondContact OH-CE1 3.48Å; Y359-H390 PolarHBondContact OH-NE2 3.23Å; L386-H390 PolarHBondContact O-CD2 2.78Å; L386-H390 PolarHBondContact O-N 2.77Å; L386-H390 VanDerWaalsContact O-N 3.09Å; D387-H390 PolarHBondContact O-N 3.32Å; R388-H390 PolarHBondContact O-N 2.67Å; H390-C393 VanDerWaalsContact O-CB 3.27Å; H390-C393 WeakPolarHBondContact O-CB 3.31Å; H390-C393 PolarHBondContact O-N 3.47Å; H390-Q394 WeakPolarHBondContact O-CG 3.48Å; H390-Q394 PolarHBondContact O-N 2.71Å
391	M	91.8	Very high	90.2	Very high	91 Å²	91	46.7 Å²	46.7	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-50.3	174.7	-74.2	-172	-74.2	0	0	112.1	D387 R388 C393 Q394 E395	D387-M391 WeakPolarHBondContact O-CG 3.38Å; D387-M391 PolarHBondContact O-N 2.85Å; D387-M391 WeakPolarHBondContact OD2-CE 3.32Å; R388-M391 PolarHBondContact O-N 3.4Å; M391-C393 PolarHBondContact O-N 3.3Å; M391-Q394 WeakPolarHBondContact O-CB 3.38Å; M391-Q394 PolarHBondContact O-N 3.14Å; M391-E395 PolarHBondContact O-N 2.73Å; M391-E395 VanDerWaalsContact O-N 3.1Å
392	A	91.2	Very high	89.7	Confident	49 Å²	49	45.8 Å²	45.8	41%	0.405	23%	0.233	S	C	.	.	H	α-helix	trans	-58	-33.3	174.7	0	0	0	0	0	111.8	R388 E395 T396	R388-A392 WeakPolarHBondContact O-CB 3.25Å; R388-A392 PolarHBondContact O-N 2.82Å; A392-E395 PolarHBondContact O-N 2.95Å; A392-T396 WeakPolarHBondContact O-CB 3.4Å; A392-T396 PolarHBondContact O-N 2.94Å; A392-T396 PolarHBondContact O-OG1 2.76Å
393	C	91	Very high	89.1	Confident	12 Å²	12	45.7 Å²	45.7	8%	0.081	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-36.1	175.8	-159.3	0	0	0	0	113.7	A389 H390 M391 K397 C514	A389-C393 WeakPolarHBondContact O-CB 3.41Å; A389-C393 PolarHBondContact O-N 3.45Å; H390-C393 VanDerWaalsContact O-CB 3.27Å; H390-C393 WeakPolarHBondContact O-CB 3.31Å; H390-C393 PolarHBondContact O-N 3.47Å; M391-C393 PolarHBondContact O-N 3.3Å; C393-K397 WeakPolarHBondContact O-CB 3.18Å; C393-K397 WeakPolarHBondContact O-CD 3.44Å; C393-K397 VanDerWaalsContact O-CG 3.24Å; C393-K397 WeakPolarHBondContact O-CG 3.39Å; C393-K397 PolarHBondContact O-N 2.6Å; C393-C514 WeakPolarHBondContact CA-SG 3.25Å; C393-C514 HydrophobicContact CB-CB 4.31Å; C393-C514 WeakPolarHBondContact CB-SG 3.45Å; C393-C514 WeakPolarHBondContact SG-CA 3.43Å; C393-C514 WeakPolarHBondContact SG-CB 3.31Å; C393-C514 CovalentContact SG-SG 2.03Å; C393-C514 PolarHBondContact SG-SG 3.27Å
394	Q	89.5	Confident	88.2	Confident	76 Å²	76	46.9 Å²	46.9	36%	0.355	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-44.6	173.4	-70.5	-178.6	11.8	0	0	111.3	H390 M391 T396 K397 T398	H390-Q394 WeakPolarHBondContact O-CG 3.48Å; H390-Q394 PolarHBondContact O-N 2.71Å; M391-Q394 WeakPolarHBondContact O-CB 3.38Å; M391-Q394 PolarHBondContact O-N 3.14Å; Q394-T396 PolarHBondContact O-N 2.9Å; Q394-K397 WeakPolarHBondContact O-CB 3.43Å; Q394-K397 PolarHBondContact O-N 3.41Å; Q394-T398 WeakPolarHBondContact O-CG2 3.45Å; Q394-T398 PolarHBondContact O-N 2.88Å; Q394-T398 PolarHBondContact O-OG1 2.75Å
395	E	89	Confident	87.3	Confident	87 Å²	87	48.3 Å²	48.3	41%	0.407	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-44.7	174.4	-65.4	-176.6	-176	0	0	112.2	M391 A392 K397 T398 F399 K450	M391-E395 PolarHBondContact O-N 2.73Å; M391-E395 VanDerWaalsContact O-N 3.1Å; A392-E395 PolarHBondContact O-N 2.95Å; E395-K397 VanDerWaalsContact C-N 3.29Å; E395-K397 PolarHBondContact O-N 3.3Å; E395-T398 WeakPolarHBondContact CA-OG1 3.35Å; E395-T398 PolarHBondContact O-N 2.94Å; E395-T398 PolarHBondContact O-OG1 2.92Å; E395-F399 WeakPolarHBondContact O-CB 3.48Å; E395-F399 PolarHBondContact O-N 2.97Å; E395-K450 IonicContact OE1-NZ 2.71Å; E395-K450 IonicContact OE2-NZ 3.69Å; E395-K450 PolarHBondContact OE2-NZ 3.32Å
396	T	87.9	Confident	86.2	Confident	21 Å²	21	48.2 Å²	48.2	13%	0.129	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-40.4	176.7	-55.7	0	0	0	0	111.3	A392 Q394 A400 L454 A511 F515	A392-T396 WeakPolarHBondContact O-CB 3.4Å; A392-T396 PolarHBondContact O-N 2.94Å; A392-T396 PolarHBondContact O-OG1 2.76Å; Q394-T396 PolarHBondContact O-N 2.9Å; T396-A400 WeakPolarHBondContact O-CB 3.32Å; T396-A400 PolarHBondContact O-N 3.31Å; T396-A400 VanDerWaalsContact O-N 3.08Å; T396-L454 HydrophobicContact CG2-CD2 3.65Å; T396-A511 HydrophobicContact CG2-CB 4.34Å; T396-F515 HydrophobicContact CG2-CE2 4.34Å
397	K	86.6	Confident	85	Confident	65 Å²	65	48.3 Å²	48.3	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-69.3	-39.8	177.3	-78.3	166.5	179.5	165.6	0	113.1	C393 Q394 E395 K401 C514 F515	C393-K397 WeakPolarHBondContact O-CB 3.18Å; C393-K397 WeakPolarHBondContact O-CD 3.44Å; C393-K397 VanDerWaalsContact O-CG 3.24Å; C393-K397 WeakPolarHBondContact O-CG 3.39Å; C393-K397 PolarHBondContact O-N 2.6Å; Q394-K397 WeakPolarHBondContact O-CB 3.43Å; Q394-K397 PolarHBondContact O-N 3.41Å; E395-K397 VanDerWaalsContact C-N 3.29Å; E395-K397 PolarHBondContact O-N 3.3Å; K397-K401 WeakPolarHBondContact O-CB 3.37Å; K397-K401 WeakPolarHBondContact O-CD 3.27Å; K397-K401 WeakPolarHBondContact O-CG 3.42Å; K397-K401 PolarHBondContact O-N 2.94Å; K397-K401 VanDerWaalsContact O-N 3.11Å; K397-C514 WeakPolarHBondContact CE-O 3.41Å; K397-C514 PolarHBondContact NZ-O 3.32Å; K397-F515 HydrophobicContact CB-CE1 4.47Å; K397-F515 HydrophobicContact CG-CD1 4.39Å; K397-F515 HydrophobicContact CG-CE1 3.78Å; K397-F515 HydrophobicContact CG-CZ 4.12Å
398	T	87.7	Confident	83.6	Confident	94 Å²	94	48 Å²	48	58%	0.577	25%	0.248	S	C	*	.	H	α-helix	trans	-69	-42.5	177.6	52.3	0	0	0	0	110.7	Q394 E395 K401 A402	Q394-T398 WeakPolarHBondContact O-CG2 3.45Å; Q394-T398 PolarHBondContact O-N 2.88Å; Q394-T398 PolarHBondContact O-OG1 2.75Å; E395-T398 WeakPolarHBondContact CA-OG1 3.35Å; E395-T398 PolarHBondContact O-N 2.94Å; E395-T398 PolarHBondContact O-OG1 2.92Å; T398-K401 PolarHBondContact O-N 3.1Å; T398-A402 WeakPolarHBondContact O-CB 3.46Å; T398-A402 PolarHBondContact O-N 3.45Å
399	F	85.8	Confident	82.1	Confident	12 Å²	12	47.6 Å²	47.6	5%	0.053	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-52.5	175	179	-104.4	0	0	0	112.6	E395 K401 A402 F403 W443 H451 L454 F455	E395-F399 WeakPolarHBondContact O-CB 3.48Å; E395-F399 PolarHBondContact O-N 2.97Å; F399-K401 VanDerWaalsContact C-N 3.32Å; F399-K401 PolarHBondContact O-N 3.32Å; F399-A402 WeakPolarHBondContact O-CB 3.48Å; F399-A402 PolarHBondContact O-N 2.92Å; F399-A402 VanDerWaalsContact O-N 3.16Å; F399-F403 PolarHBondContact O-N 2.82Å; F399-W443 HydrophobicContact CD2-CB 4.33Å; F399-W443 HydrophobicContact CD2-CG 4.34Å; F399-W443 HydrophobicContact CE2-CB 4.27Å; F399-W443 HydrophobicContact CE2-CD2 4.03Å; F399-W443 AromaticContact CE2-CG 3.83Å; F399-W443 HydrophobicContact CE2-CG 3.83Å; F399-H451 HydrophobicContact CD1-CB 3.78Å; F399-H451 HydrophobicContact CE1-CB 3.63Å; F399-H451 HydrophobicContact CG-CB 4.35Å; F399-H451 HydrophobicContact CZ-CB 4.09Å; F399-L454 HydrophobicContact CD1-CD2 4.16Å; F399-F455 HydrophobicContact CE1-CB 4.25Å; F399-F455 HydrophobicContact CZ-CB 4.1Å; F399-F455 AromaticContact CZ-CD2 3.98Å; F399-F455 HydrophobicContact CZ-CD2 3.98Å; F399-F455 HydrophobicContact CZ-CG 4.46Å
400	A	82.7	Confident	80.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-35.3	-179.7	0	0	0	0	0	112.9	T396 L404 L458 F480 F515	T396-A400 WeakPolarHBondContact O-CB 3.32Å; T396-A400 PolarHBondContact O-N 3.31Å; T396-A400 VanDerWaalsContact O-N 3.08Å; A400-L404 WeakPolarHBondContact O-CB 3.44Å; A400-L404 WeakPolarHBondContact O-CD1 3.49Å; A400-L404 VanDerWaalsContact O-CG 3.31Å; A400-L404 WeakPolarHBondContact O-CG 3.32Å; A400-L404 PolarHBondContact O-N 2.9Å; A400-L458 HydrophobicContact CB-CD1 4.22Å; A400-F480 HydrophobicContact CB-CZ 4.24Å; A400-F515 HydrophobicContact CB-CE1 4.35Å; A400-F515 HydrophobicContact CB-CE2 4.32Å; A400-F515 HydrophobicContact CB-CZ 3.58Å
401	K	81.9	Confident	78	Confident	129 Å²	129	52 Å²	52	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-64.1	-41.7	172.9	-78	174.2	178	-174.5	0	112.1	K397 T398 F399 L404 H405 F476	K397-K401 WeakPolarHBondContact O-CB 3.37Å; K397-K401 WeakPolarHBondContact O-CD 3.27Å; K397-K401 WeakPolarHBondContact O-CG 3.42Å; K397-K401 PolarHBondContact O-N 2.94Å; K397-K401 VanDerWaalsContact O-N 3.11Å; T398-K401 PolarHBondContact O-N 3.1Å; F399-K401 VanDerWaalsContact C-N 3.32Å; F399-K401 PolarHBondContact O-N 3.32Å; K401-L404 PolarHBondContact O-N 2.99Å; K401-H405 WeakPolarHBondContact O-CB 3.33Å; K401-H405 PolarHBondContact O-N 2.85Å; K401-F476 HydrophobicContact CG-CE1 4.13Å; K401-F476 HydrophobicContact CG-CZ 3.81Å
402	A	80.6	Confident	75.7	Confident	27 Å²	27	54.9 Å²	54.9	22%	0.223	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-44.1	177.1	0	0	0	0	0	111.7	T398 F399 H405 Q406 W443	T398-A402 WeakPolarHBondContact O-CB 3.46Å; T398-A402 PolarHBondContact O-N 3.45Å; F399-A402 WeakPolarHBondContact O-CB 3.48Å; F399-A402 PolarHBondContact O-N 2.92Å; F399-A402 VanDerWaalsContact O-N 3.16Å; A402-H405 PolarHBondContact O-N 3.44Å; A402-Q406 PolarHBondContact O-N 3.35Å; A402-Q406 VanDerWaalsContact O-N 3.09Å; A402-W443 HydrophobicContact CB-CE3 4.21Å
403	F	78.5	Confident	73.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.7	-50.6	172.8	-176	-85.3	0	0	0	112	F399 H405 Q406 V407 W443 F455 L458 Q459	F399-F403 PolarHBondContact O-N 2.82Å; F403-H405 VanDerWaalsContact C-N 3.34Å; F403-H405 PolarHBondContact O-N 3.05Å; F403-Q406 PolarHBondContact O-N 2.89Å; F403-V407 HydrophobicContact CD1-CG2 4.04Å; F403-V407 HydrophobicContact CE1-CG2 3.57Å; F403-V407 HydrophobicContact CZ-CG2 3.98Å; F403-V407 PolarHBondContact O-N 3.46Å; F403-W443 HydrophobicContact CB-CH2 4.31Å; F403-W443 HydrophobicContact CB-CZ3 4.16Å; F403-W443 AromaticContact CD2-CH2 3.71Å; F403-W443 HydrophobicContact CD2-CH2 3.71Å; F403-W443 HydrophobicContact CD2-CZ2 4.16Å; F403-W443 HydrophobicContact CD2-CZ3 4.39Å; F403-W443 HydrophobicContact CG-CH2 4.4Å; F403-F455 AromaticContact CD2-CD2 3.93Å; F403-F455 HydrophobicContact CD2-CD2 3.93Å; F403-F455 AromaticContact CD2-CE2 3.86Å; F403-F455 HydrophobicContact CD2-CE2 3.86Å; F403-F455 AromaticContact CE2-CD2 3.92Å; F403-F455 HydrophobicContact CE2-CD2 3.92Å; F403-F455 AromaticContact CE2-CE2 3.63Å; F403-F455 HydrophobicContact CE2-CE2 3.63Å; F403-L458 HydrophobicContact CB-CD1 4.25Å; F403-L458 HydrophobicContact CD1-CB 3.8Å; F403-L458 HydrophobicContact CD1-CD1 4.09Å; F403-L458 HydrophobicContact CD1-CG 4.38Å; F403-L458 HydrophobicContact CE1-CB 3.6Å; F403-L458 HydrophobicContact CE2-CB 4.38Å; F403-L458 HydrophobicContact CG-CB 4.29Å; F403-L458 HydrophobicContact CG-CD1 4.11Å; F403-L458 HydrophobicContact CZ-CB 3.92Å; F403-Q459 HydrophobicContact CE2-CG 4.18Å; F403-Q459 HydrophobicContact CZ-CG 4.16Å
404	L	73.8	Confident	70.3	Confident	26 Å²	26	63.3 Å²	63.3	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-31.6	-177.5	-72	166.2	0	0	0	112.9	A400 K401 A408 I465 F476	A400-L404 WeakPolarHBondContact O-CB 3.44Å; A400-L404 WeakPolarHBondContact O-CD1 3.49Å; A400-L404 VanDerWaalsContact O-CG 3.31Å; A400-L404 WeakPolarHBondContact O-CG 3.32Å; A400-L404 PolarHBondContact O-N 2.9Å; K401-L404 PolarHBondContact O-N 2.99Å; L404-A408 VanDerWaalsContact O-CB 3.27Å; L404-A408 WeakPolarHBondContact O-CB 3.18Å; L404-A408 PolarHBondContact O-N 3.25Å; L404-I465 HydrophobicContact CD2-CD1 3.56Å; L404-I465 HydrophobicContact CD2-CG1 3.97Å; L404-I465 HydrophobicContact CD2-CG2 3.75Å; L404-F476 HydrophobicContact CB-CE2 4.46Å; L404-F476 HydrophobicContact CB-CZ 4.4Å; L404-F476 HydrophobicContact CD1-CD1 4.33Å; L404-F476 HydrophobicContact CD1-CD2 4.13Å; L404-F476 HydrophobicContact CD1-CE1 3.7Å; L404-F476 HydrophobicContact CD1-CE2 3.5Å; L404-F476 VanDerWaalsContact CD1-CE2 3.5Å; L404-F476 HydrophobicContact CD1-CZ 3.26Å; L404-F476 HydrophobicContact CG-CZ 4.43Å
405	H	73.7	Confident	67.7	Low	112 Å²	112	66.1 Å²	66.1	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-46	170.4	-167.5	-82.1	0	0	0	111.4	K401 A402 F403 V407 A408 E409	K401-H405 WeakPolarHBondContact O-CB 3.33Å; K401-H405 PolarHBondContact O-N 2.85Å; A402-H405 PolarHBondContact O-N 3.44Å; F403-H405 VanDerWaalsContact C-N 3.34Å; F403-H405 PolarHBondContact O-N 3.05Å; H405-V407 PolarHBondContact O-N 3.32Å; H405-A408 WeakPolarHBondContact O-CB 3.45Å; H405-A408 PolarHBondContact O-N 3.19Å; H405-E409 IonicContact CE1-OE1 2.93Å; H405-E409 PolarHBondContact CE1-OE1 2.97Å; H405-E409 VanDerWaalsContact CE1-OE1 3.29Å; H405-E409 IonicContact CE1-OE2 3.18Å; H405-E409 PolarHBondContact CE1-OE2 2.91Å; H405-E409 IonicContact ND1-OE1 3.24Å; H405-E409 IonicContact ND1-OE2 2.81Å; H405-E409 PolarHBondContact ND1-OE2 2.84Å; H405-E409 WeakPolarHBondContact O-CG 3.19Å; H405-E409 PolarHBondContact O-N 2.89Å
406	Q	72.1	Confident	65.5	Low	30 Å²	30	67 Å²	67	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-65.1	-39.3	179.7	-176.7	167.6	-15.9	0	0	112.4	A402 F403 S410 W443	A402-Q406 PolarHBondContact O-N 3.35Å; A402-Q406 VanDerWaalsContact O-N 3.09Å; F403-Q406 PolarHBondContact O-N 2.89Å; Q406-S410 PolarHBondContact O-N 3.19Å; Q406-W443 HydrophobicContact CB-CZ3 4.34Å
407	V	67.8	Low	63.4	Low	1 Å²	1	73 Å²	73	1%	0.006	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-43.1	171.7	176.9	0	0	0	0	110.6	F403 H405 E409 S410 E462 I465 Q466	F403-V407 HydrophobicContact CD1-CG2 4.04Å; F403-V407 HydrophobicContact CE1-CG2 3.57Å; F403-V407 HydrophobicContact CZ-CG2 3.98Å; F403-V407 PolarHBondContact O-N 3.46Å; H405-V407 PolarHBondContact O-N 3.32Å; V407-E409 PolarHBondContact O-N 3.39Å; V407-S410 WeakPolarHBondContact O-CB 3.27Å; V407-S410 PolarHBondContact O-N 3.24Å; V407-S410 PolarHBondContact O-OG 3.27Å; V407-E462 HydrophobicContact CG1-CG 4.12Å; V407-E462 HydrophobicContact CG2-CG 4.25Å; V407-I465 HydrophobicContact CB-CG2 4.47Å; V407-I465 HydrophobicContact CG1-CG2 3.81Å; V407-Q466 HydrophobicContact CG1-CG 3.93Å
408	A	63.9	Low	61.2	Low	37 Å²	37	78.1 Å²	78.1	31%	0.306	42%	0.423	S	S	.	.	H	α-helix	trans	-61.8	-39.5	177.4	0	0	0	0	0	113.3	L404 H405 S410 H411 F470	L404-A408 VanDerWaalsContact O-CB 3.27Å; L404-A408 WeakPolarHBondContact O-CB 3.18Å; L404-A408 PolarHBondContact O-N 3.25Å; H405-A408 WeakPolarHBondContact O-CB 3.45Å; H405-A408 PolarHBondContact O-N 3.19Å; A408-S410 VanDerWaalsContact C-N 3.29Å; A408-S410 PolarHBondContact O-N 3.07Å; A408-H411 WeakPolarHBondContact O-CB 3.24Å; A408-H411 PolarHBondContact O-CD2 2.93Å; A408-H411 PolarHBondContact O-N 2.77Å; A408-F470 HydrophobicContact CB-CE1 4.44Å; A408-F470 HydrophobicContact CB-CZ 4.37Å
409	E	61.9	Low	59.1	Low	108 Å²	108	77.3 Å²	77.3	51%	0.505	43%	0.426	S	S	.	.	H	α-helix	trans	-67.4	-28	176.7	-75.4	179.4	126.6	0	0	112.8	H405 V407 H411 L412	H405-E409 IonicContact CE1-OE1 2.93Å; H405-E409 PolarHBondContact CE1-OE1 2.97Å; H405-E409 VanDerWaalsContact CE1-OE1 3.29Å; H405-E409 IonicContact CE1-OE2 3.18Å; H405-E409 PolarHBondContact CE1-OE2 2.91Å; H405-E409 IonicContact ND1-OE1 3.24Å; H405-E409 IonicContact ND1-OE2 2.81Å; H405-E409 PolarHBondContact ND1-OE2 2.84Å; H405-E409 WeakPolarHBondContact O-CG 3.19Å; H405-E409 PolarHBondContact O-N 2.89Å; V407-E409 PolarHBondContact O-N 3.39Å; E409-H411 PolarHBondContact O-N 3.03Å; E409-H411 VanDerWaalsContact O-N 3.13Å; E409-L412 PolarHBondContact O-N 2.97Å; E409-L412 VanDerWaalsContact O-N 3.1Å
410	S	55.1	Low	57.3	Low	44 Å²	44	77.5 Å²	77.5	31%	0.308	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.7	176.9	78.4	0	0	0	0	114	Q406 V407 A408 L412	Q406-S410 PolarHBondContact O-N 3.19Å; V407-S410 WeakPolarHBondContact O-CB 3.27Å; V407-S410 PolarHBondContact O-N 3.24Å; V407-S410 PolarHBondContact O-OG 3.27Å; A408-S410 VanDerWaalsContact C-N 3.29Å; A408-S410 PolarHBondContact O-N 3.07Å; S410-L412 VanDerWaalsContact C-N 3.27Å; S410-L412 PolarHBondContact O-N 3.44Å
411	H	46.4	Very low	55.7	Low	71 Å²	71	78.8 Å²	78.8	33%	0.329	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.3	171.2	-73.4	-67.6	0	0	0	114.7	A408 E409 L413 Q466 F470	A408-H411 WeakPolarHBondContact O-CB 3.24Å; A408-H411 PolarHBondContact O-CD2 2.93Å; A408-H411 PolarHBondContact O-N 2.77Å; E409-H411 PolarHBondContact O-N 3.03Å; E409-H411 VanDerWaalsContact O-N 3.13Å; H411-L413 PolarHBondContact O-N 3.33Å; H411-Q466 PolarHBondContact CE1-O 2.68Å; H411-F470 HydrophobicContact CB-CE2 4.3Å; H411-F470 HydrophobicContact CB-CZ 4.29Å; H411-F470 AromaticContact CD2-CE2 3.55Å; H411-F470 AromaticContact CD2-CZ 3.77Å; H411-F470 AromaticContact CG-CE2 3.96Å
412	L	41.9	Very low	54	Low	152 Å²	152	74.2 Å²	74.2	80%	0.796	42%	0.421	S	S	*	.	S	Bend	trans	-77.6	77.6	171.9	-76.3	166.4	0	0	0	109.9	E409 S410 S414	E409-L412 PolarHBondContact O-N 2.97Å; E409-L412 VanDerWaalsContact O-N 3.1Å; S410-L412 VanDerWaalsContact C-N 3.27Å; S410-L412 PolarHBondContact O-N 3.44Å; L412-S414 PolarHBondContact O-N 3.3Å
413	L	37.2	Very low	52.2	Low	164 Å²	164	78.7 Å²	78.7	86%	0.859	44%	0.441	S	S	*	.			trans	-57.5	88.7	178.9	-78.9	159.7	0	0	0	112.5	H411	H411-L413 PolarHBondContact O-N 3.33Å
414	S	31.7	Very low	50.4	Low	73 Å²	73	84.8 Å²	84.8	51%	0.51	47%	0.474	S	S	.	.			trans	-83.5	141.8	152.8	-179.2	0	0	0	0	109.1	L412 T416	L412-S414 PolarHBondContact O-N 3.3Å; S414-T416 PolarHBondContact O-N 3.41Å; S414-T416 PolarHBondContact OG-OG1 3.05Å; S414-T416 VanDerWaalsContact OG-OG1 3.07Å
415	P	36.5	Very low	48.9	Very low	136 Å²	136	87.5 Å²	87.5	88%	0.883	49%	0.488	S	S	*	.	S	Bend	trans	-64.1	1.9	175	-21.2	33.4	0	0	0	115.4
416	T	41.5	Very low	47.3	Very low	105 Å²	105	86.8 Å²	86.8	64%	0.644	49%	0.488	S	S	*	.	S	Bend	trans	-131.7	89.4	-171.3	47	0	0	0	0	112.2	S414	S414-T416 PolarHBondContact O-N 3.41Å; S414-T416 PolarHBondContact OG-OG1 3.05Å; S414-T416 VanDerWaalsContact OG-OG1 3.07Å
417	N	44.2	Very low	45.9	Very low	146 Å²	146	95.6 Å²	95.6	78%	0.781	52%	0.52	S	S	*	.			trans	62.3	127.3	167.7	-67.7	-10.7	0	0	0	118.7
418	K	41.3	Very low	44.4	Very low	173 Å²	173	105.7 Å²	105.7	75%	0.752	56%	0.558	S	S	*	*				178.3	94.3	123.3	-95.5	163.4	-174	-172.9	0	110.1
419	A	43.5	Very low	43.2	Very low	77 Å²	77	112.7 Å²	112.7	64%	0.636	58%	0.576	S	S	*	*			trans	-89.9	150.5	164.9	0	0	0	0	0	110	C421	A419-C421 PolarHBondContact O-N 3.43Å
420	V	48	Very low	42.2	Very low	17 Å²	17	111 Å²	111	10%	0.103	59%	0.587	C	S	.	*			trans	-63.6	124.4	174.5	179.5	0	0	0	0	109.4	S422	V420-S422 PolarHBondContact O-N 3.28Å
421	C	47.9	Very low	41.7	Very low	27 Å²	27	116.8 Å²	116.8	18%	0.182	61%	0.609	C	S	.	*			trans	-75.3	100.3	-174.7	-59.3	0	0	0	0	112	A419 L426 C439 Q441	A419-C421 PolarHBondContact O-N 3.43Å; C421-L426 HydrophobicContact CB-CD1 4.43Å; C421-C439 HydrophobicContact CB-CB 3.88Å; C421-C439 WeakPolarHBondContact CB-SG 3.41Å; C421-C439 WeakPolarHBondContact SG-CB 3.47Å; C421-C439 CovalentContact SG-SG 2.02Å; C421-C439 PolarHBondContact SG-SG 3.33Å; C421-Q441 PolarHBondContact O-NE2 3.48Å
422	S	46.3	Very low	41.5	Very low	32 Å²	32	121.3 Å²	121.3	22%	0.224	63%	0.629	C	S	.	*			trans	-87.7	142.3	160.1	65.8	0	0	0	0	110.1	V420 D424 L425 L426	V420-S422 PolarHBondContact O-N 3.28Å; S422-D424 PolarHBondContact O-N 2.94Å; S422-L425 PolarHBondContact O-N 2.94Å; S422-L426 PolarHBondContact O-N 2.92Å
423	N	43.3	Very low	41.3	Very low	122 Å²	122	121.4 Å²	121.4	65%	0.652	63%	0.63	S	S	*	*	H	α-helix	trans	-63.9	-23.7	-177.8	-77.7	-20.1	0	0	0	113.4	R427	N423-R427 PolarHBondContact O-N 2.78Å
424	D	41.4	Very low	41.4	Very low	127 Å²	127	121.9 Å²	121.9	68%	0.679	63%	0.633	S	S	*	*	H	α-helix	trans	-72.4	-31.5	176.8	-85.5	-28.5	0	0	0	113.5	S422 R428	S422-D424 PolarHBondContact O-N 2.94Å; D424-R428 PolarHBondContact O-N 2.71Å
425	L	41.4	Very low	41.8	Very low	83 Å²	83	129 Å²	129	44%	0.435	65%	0.649	S	S	.	*	H	α-helix	trans	-73.6	-40.1	175.3	-90.5	161.9	0	0	0	111.5	S422 R427 R428 W429	S422-L425 PolarHBondContact O-N 2.94Å; L425-R427 VanDerWaalsContact C-N 3.3Å; L425-R427 PolarHBondContact O-N 3.49Å; L425-R428 PolarHBondContact O-N 3.31Å; L425-W429 PolarHBondContact O-N 3.06Å
426	L	40.8	Very low	42.1	Very low	98 Å²	98	131.6 Å²	131.6	51%	0.513	65%	0.649	S	S	.	*	H	α-helix	trans	-58.6	-39.9	173.1	-82.5	159.5	0	0	0	112.2	C421 S422 G430	C421-L426 HydrophobicContact CB-CD1 4.43Å; S422-L426 PolarHBondContact O-N 2.92Å; L426-G430 PolarHBondContact O-N 2.82Å; L426-G430 VanDerWaalsContact O-N 3.13Å
427	R	41.6	Very low	42	Very low	214 Å²	214	130.4 Å²	130.4	81%	0.808	65%	0.65	S	S	*	*	H	α-helix	trans	-68.5	-31	176.5	-109.4	-177.4	176.1	178.5	-0.7	114.1	N423 L425	N423-R427 PolarHBondContact O-N 2.78Å; L425-R427 VanDerWaalsContact C-N 3.3Å; L425-R427 PolarHBondContact O-N 3.49Å
428	R	36.8	Very low	41.9	Very low	213 Å²	213	129.1 Å²	129.1	80%	0.804	65%	0.647	S	S	*	*	H	α-helix	trans	-82	-26.2	177.2	-79.2	-175.7	172	178.9	-0.2	113.8	D424 L425	D424-R428 PolarHBondContact O-N 2.71Å; L425-R428 PolarHBondContact O-N 3.31Å
429	W	38.3	Very low	42.3	Very low	185 Å²	185	123.4 Å²	123.4	70%	0.701	63%	0.629	S	S	*	*	H	α-helix	trans	-94.2	-13.9	178.1	-85.9	-23.4	0	0	0	115.7	L425 Q431 F432	L425-W429 PolarHBondContact O-N 3.06Å; W429-Q431 PolarHBondContact O-N 2.82Å; W429-F432 PolarHBondContact O-N 3.38Å
430	G	41.3	Very low	42.8	Very low	71 Å²	71	124.4 Å²	124.4	73%	0.732	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	7.3	172.8	0	0	0	0	0	116.5	L426	L426-G430 PolarHBondContact O-N 2.82Å; L426-G430 VanDerWaalsContact O-N 3.13Å
431	Q	44	Very low	43.3	Very low	166 Å²	166	126.1 Å²	126.1	78%	0.776	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-9.3	173.1	-70.1	-173.9	-21.5	0	0	113.9	W429	W429-Q431 PolarHBondContact O-N 2.82Å
432	F	43.7	Very low	44.2	Very low	167 Å²	167	129.2 Å²	129.2	73%	0.732	65%	0.652	S	S	*	*	S	Bend	trans	-135.9	123.2	178.7	-76.1	-85.6	0	0	0	111.8	W429	W429-F432 PolarHBondContact O-N 3.38Å
433	D	37.8	Very low	45.3	Very low	153 Å²	153	128.9 Å²	128.9	82%	0.818	65%	0.646	S	S	*	*			trans	73.6	120.6	177.4	-72.5	-26.7	0	0	0	120.4	R435	D433-R435 VanDerWaalsContact C-N 3.26Å; D433-R435 PolarHBondContact O-N 3.28Å
434	N	39	Very low	46.8	Very low	175 Å²	175	125.7 Å²	125.7	94%	0.936	63%	0.633	S	S	*	*			trans	-71.5	69.2	170.6	-81.8	-23.6	0	0	0	111.8
435	R	39.8	Very low	48.1	Very low	223 Å²	223	123.3 Å²	123.3	84%	0.842	63%	0.631	S	S	*	*			trans	-132.8	114.5	164.9	-69.5	-172	178.3	-171.9	0.7	109.9	D433 A437	D433-R435 VanDerWaalsContact C-N 3.26Å; D433-R435 PolarHBondContact O-N 3.28Å; R435-A437 VanDerWaalsContact C-N 3.27Å; R435-A437 PolarHBondContact O-N 3.25Å
436	E	41.4	Very low	49.8	Very low	190 Å²	190	126.8 Å²	126.8	89%	0.888	65%	0.645	S	S	*	*			trans	-64.9	86.5	172	-66.6	-177.6	155.6	0	0	110	T438	E436-T438 VanDerWaalsContact C-N 3.29Å; E436-T438 PolarHBondContact O-N 2.92Å
437	A	41.5	Very low	51.4	Low	79 Å²	79	124.6 Å²	124.6	65%	0.653	64%	0.636	S	S	*	*			trans	-74.2	84	173.5	0	0	0	0	0	109.4	R435 C439	R435-A437 VanDerWaalsContact C-N 3.27Å; R435-A437 PolarHBondContact O-N 3.25Å; A437-C439 PolarHBondContact O-N 3.39Å
438	T	40.1	Very low	53	Low	119 Å²	119	115.6 Å²	115.6	73%	0.73	60%	0.603	S	S	*	*			trans	-63	103.8	175.6	44.3	0	0	0	0	110.5	E436 T440	E436-T438 VanDerWaalsContact C-N 3.29Å; E436-T438 PolarHBondContact O-N 2.92Å; T438-T440 PolarHBondContact O-N 2.7Å; T438-T440 VanDerWaalsContact O-N 3.14Å
439	C	50.4	Low	54.9	Low	53 Å²	53	112.9 Å²	112.9	36%	0.358	60%	0.6	S	S	.	*			trans	-72.3	106.6	175.9	-159.6	0	0	0	0	110.1	C421 A437 Q441	C421-C439 HydrophobicContact CB-CB 3.88Å; C421-C439 WeakPolarHBondContact CB-SG 3.41Å; C421-C439 WeakPolarHBondContact SG-CB 3.47Å; C421-C439 CovalentContact SG-SG 2.02Å; C421-C439 PolarHBondContact SG-SG 3.33Å; A437-C439 PolarHBondContact O-N 3.39Å; C439-Q441 VanDerWaalsContact C-N 3.27Å; C439-Q441 PolarHBondContact O-N 2.97Å
440	T	53.6	Low	57	Low	98 Å²	98	110.5 Å²	110.5	60%	0.601	59%	0.594	S	S	*	*			trans	-80.7	75.1	176.2	37.7	0	0	0	0	110.8	T438	T438-T440 PolarHBondContact O-N 2.7Å; T438-T440 VanDerWaalsContact O-N 3.14Å
441	Q	60	Low	59	Low	54 Å²	54	108.1 Å²	108.1	25%	0.252	56%	0.564	S	S	.	*			trans	-73.1	145.3	164.8	-71.1	176.9	-25.5	0	0	110	C421 C439 W443	C421-Q441 PolarHBondContact O-NE2 3.48Å; C439-Q441 VanDerWaalsContact C-N 3.27Å; C439-Q441 PolarHBondContact O-N 2.97Å; Q441-W443 VanDerWaalsContact C-N 3.28Å; Q441-W443 HydrophobicContact CB-CD2 4.46Å; Q441-W443 HydrophobicContact CB-CZ2 4.47Å; Q441-W443 HydrophobicContact CG-CZ2 4.15Å
442	T	65.4	Low	60.9	Low	92 Å²	92	103.6 Å²	103.6	56%	0.564	55%	0.545	S	S	*	.	S	Bend	trans	-83.6	-4.8	179	50.6	0	0	0	0	113.5
443	W	70.1	Confident	62.8	Low	25 Å²	25	96.8 Å²	96.8	10%	0.095	52%	0.517	C	S	.	.	S	Bend	trans	-124.8	157.3	-179.4	60.6	76.2	0	0	0	110.5	F399 A402 F403 Q406 Q441 T447 F455	F399-W443 HydrophobicContact CD2-CB 4.33Å; F399-W443 HydrophobicContact CD2-CG 4.34Å; F399-W443 HydrophobicContact CE2-CB 4.27Å; F399-W443 HydrophobicContact CE2-CD2 4.03Å; F399-W443 AromaticContact CE2-CG 3.83Å; F399-W443 HydrophobicContact CE2-CG 3.83Å; A402-W443 HydrophobicContact CB-CE3 4.21Å; F403-W443 HydrophobicContact CB-CH2 4.31Å; F403-W443 HydrophobicContact CB-CZ3 4.16Å; F403-W443 AromaticContact CD2-CH2 3.71Å; F403-W443 HydrophobicContact CD2-CH2 3.71Å; F403-W443 HydrophobicContact CD2-CZ2 4.16Å; F403-W443 HydrophobicContact CD2-CZ3 4.39Å; F403-W443 HydrophobicContact CG-CH2 4.4Å; Q406-W443 HydrophobicContact CB-CZ3 4.34Å; Q441-W443 VanDerWaalsContact C-N 3.28Å; Q441-W443 HydrophobicContact CB-CD2 4.46Å; Q441-W443 HydrophobicContact CB-CZ2 4.47Å; Q441-W443 HydrophobicContact CG-CZ2 4.15Å; W443-T447 WeakPolarHBondContact CB-OG1 3.23Å; W443-F455 AromaticContact CZ2-CE2 3.84Å; W443-F455 HydrophobicContact CZ2-CE2 3.84Å
444	S	74.1	Confident	64.9	Low	55 Å²	55	89.7 Å²	89.7	39%	0.385	48%	0.479	S	S	.	.			trans	-83.2	157.8	178.1	75.4	0	0	0	0	112.1	E446 T447 Q448	S444-E446 PolarHBondContact O-N 2.93Å; S444-T447 PolarHBondContact N-OG1 3.44Å; S444-T447 PolarHBondContact O-N 2.79Å; S444-T447 PolarHBondContact O-OG1 2.8Å; S444-T447 PolarHBondContact OG-N 2.88Å; S444-T447 PolarHBondContact OG-OG1 3.01Å; S444-Q448 PolarHBondContact O-N 3.48Å
445	A	69.5	Low	66.9	Low	76 Å²	76	81.6 Å²	81.6	63%	0.628	44%	0.436	S	S	*	.	H	α-helix	trans	-54.4	-37.3	173.6	0	0	0	0	0	112.6	Q448 Q449	A445-Q448 PolarHBondContact O-N 3.38Å; A445-Q449 WeakPolarHBondContact O-CB 3.47Å; A445-Q449 PolarHBondContact O-N 3.37Å
446	E	76.3	Confident	68.9	Low	156 Å²	156	75.9 Å²	75.9	73%	0.729	41%	0.414	S	S	*	.	H	α-helix	trans	-62.9	-45.3	175.1	-61	175.8	165.5	0	0	111.9	S444 Q448 Q449 K450	S444-E446 PolarHBondContact O-N 2.93Å; E446-Q448 VanDerWaalsContact C-N 3.34Å; E446-Q448 PolarHBondContact O-N 2.89Å; E446-Q449 PolarHBondContact O-N 3.17Å; E446-K450 WeakPolarHBondContact O-CB 3.44Å; E446-K450 PolarHBondContact O-N 2.96Å
447	T	74.4	Confident	70.7	Confident	53 Å²	53	68.2 Å²	68.2	33%	0.325	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-32	178	54.3	0	0	0	0	113	W443 S444 H451	W443-T447 WeakPolarHBondContact CB-OG1 3.23Å; S444-T447 PolarHBondContact N-OG1 3.44Å; S444-T447 PolarHBondContact O-N 2.79Å; S444-T447 PolarHBondContact O-OG1 2.8Å; S444-T447 PolarHBondContact OG-N 2.88Å; S444-T447 PolarHBondContact OG-OG1 3.01Å; T447-H451 PolarHBondContact O-N 3.49Å; T447-H451 PolarHBondContact O-ND1 3.2Å
448	Q	75.2	Confident	72.4	Confident	25 Å²	25	64.4 Å²	64.4	12%	0.117	35%	0.347	C	S	.	.	H	α-helix	trans	-69.1	-40.8	171.5	-172.7	175.9	-39.9	0	0	111.4	S444 A445 E446 H451 N452 F455	S444-Q448 PolarHBondContact O-N 3.48Å; A445-Q448 PolarHBondContact O-N 3.38Å; E446-Q448 VanDerWaalsContact C-N 3.34Å; E446-Q448 PolarHBondContact O-N 2.89Å; Q448-H451 CarbonylContact O-C 3.57Å; Q448-H451 PolarHBondContact O-N 2.77Å; Q448-N452 VanDerWaalsContact O-CA 3.26Å; Q448-N452 WeakPolarHBondContact O-CA 3.41Å; Q448-N452 PolarHBondContact O-N 3.23Å; Q448-F455 HydrophobicContact CG-CD1 4.04Å; Q448-F455 HydrophobicContact CG-CD2 4.08Å; Q448-F455 HydrophobicContact CG-CE1 4.22Å; Q448-F455 HydrophobicContact CG-CE2 4.25Å; Q448-F455 HydrophobicContact CG-CG 3.96Å; Q448-F455 HydrophobicContact CG-CZ 4.32Å
449	Q	77.9	Confident	74.1	Confident	156 Å²	156	61.3 Å²	61.3	73%	0.729	32%	0.324	S	S	*	.	H	α-helix	trans	-65.4	-40.7	175.8	-170.9	173.2	1.3	0	0	111.5	A445 E446 H451 N452	A445-Q449 WeakPolarHBondContact O-CB 3.47Å; A445-Q449 PolarHBondContact O-N 3.37Å; E446-Q449 PolarHBondContact O-N 3.17Å; Q449-H451 VanDerWaalsContact C-N 3.3Å; Q449-H451 PolarHBondContact O-N 3.1Å; Q449-N452 WeakPolarHBondContact O-CB 3.29Å; Q449-N452 PolarHBondContact O-N 3.06Å
450	K	81.4	Confident	75	Confident	134 Å²	134	61.8 Å²	61.8	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-58.1	-39.3	173.9	-174.9	178.8	-178.8	-179.4	0	112.5	E395 E446	E395-K450 IonicContact OE1-NZ 2.71Å; E395-K450 IonicContact OE2-NZ 3.69Å; E395-K450 PolarHBondContact OE2-NZ 3.32Å; E446-K450 WeakPolarHBondContact O-CB 3.44Å; E446-K450 PolarHBondContact O-N 2.96Å
451	H	82.9	Confident	75.7	Confident	21 Å²	21	58 Å²	58	10%	0.097	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	25.9	-178.3	-58.2	99.1	0	0	0	113.4	F399 T447 Q448 Q449 T453 L454 F455	F399-H451 HydrophobicContact CD1-CB 3.78Å; F399-H451 HydrophobicContact CE1-CB 3.63Å; F399-H451 HydrophobicContact CG-CB 4.35Å; F399-H451 HydrophobicContact CZ-CB 4.09Å; T447-H451 PolarHBondContact O-N 3.49Å; T447-H451 PolarHBondContact O-ND1 3.2Å; Q448-H451 CarbonylContact O-C 3.57Å; Q448-H451 PolarHBondContact O-N 2.77Å; Q449-H451 VanDerWaalsContact C-N 3.3Å; Q449-H451 PolarHBondContact O-N 3.1Å; H451-T453 VanDerWaalsContact C-N 3.31Å; H451-T453 PolarHBondContact O-N 3.45Å; H451-T453 VanDerWaalsContact O-N 3.16Å; H451-L454 PolarHBondContact O-N 2.9Å; H451-F455 WeakPolarHBondContact O-CB 3.39Å; H451-F455 PolarHBondContact O-N 3.01Å
452	N	84.3	Confident	76.1	Confident	71 Å²	71	57.3 Å²	57.3	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-55.9	-38.8	-169.2	-177.4	25.9	0	0	0	114	Q448 Q449 F455 R456	Q448-N452 VanDerWaalsContact O-CA 3.26Å; Q448-N452 WeakPolarHBondContact O-CA 3.41Å; Q448-N452 PolarHBondContact O-N 3.23Å; Q449-N452 WeakPolarHBondContact O-CB 3.29Å; Q449-N452 PolarHBondContact O-N 3.06Å; N452-F455 PolarHBondContact O-N 3.12Å; N452-R456 WeakPolarHBondContact O-CB 3.37Å; N452-R456 WeakPolarHBondContact O-CG 3.3Å; N452-R456 PolarHBondContact O-N 3.48Å
453	T	82.8	Confident	76	Confident	25 Å²	25	58.3 Å²	58.3	15%	0.153	31%	0.309	C	S	.	.	H	α-helix	trans	-67	-44	177.7	-48.9	0	0	0	0	112	H451 F455 R456 F457 E504 L508	H451-T453 VanDerWaalsContact C-N 3.31Å; H451-T453 PolarHBondContact O-N 3.45Å; H451-T453 VanDerWaalsContact O-N 3.16Å; T453-F455 VanDerWaalsContact C-N 3.35Å; T453-R456 PolarHBondContact O-N 3.47Å; T453-R456 PolarHBondContact OG1-NH2 2.94Å; T453-F457 PolarHBondContact O-N 3.26Å; T453-F457 VanDerWaalsContact O-N 3.09Å; T453-E504 HydrophobicContact CG2-CB 3.78Å; T453-E504 HydrophobicContact CG2-CG 4Å; T453-L508 HydrophobicContact CG2-CD1 4.43Å; T453-L508 HydrophobicContact CG2-CD2 4.03Å; T453-L508 HydrophobicContact CG2-CG 4.1Å
454	L	82.3	Confident	75.7	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-38.9	174.1	176.2	61.2	0	0	0	111.4	T396 F399 H451 F457 L458 F480 A511	T396-L454 HydrophobicContact CG2-CD2 3.65Å; F399-L454 HydrophobicContact CD1-CD2 4.16Å; H451-L454 PolarHBondContact O-N 2.9Å; L454-F457 PolarHBondContact O-N 3.31Å; L454-L458 HydrophobicContact CD1-CD1 4.16Å; L454-L458 HydrophobicContact CD1-CG 4.17Å; L454-L458 HydrophobicContact CG-CD1 4Å; L454-L458 HydrophobicContact CG-CG 4.44Å; L454-L458 WeakPolarHBondContact O-CB 3.37Å; L454-L458 VanDerWaalsContact O-CG 3.28Å; L454-L458 WeakPolarHBondContact O-CG 3.46Å; L454-L458 PolarHBondContact O-N 3.2Å; L454-F480 HydrophobicContact CD1-CE1 4.1Å; L454-A511 HydrophobicContact CD1-CB 4.16Å
455	F	82.1	Confident	75.1	Confident	5 Å²	5	60.3 Å²	60.3	2%	0.022	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-49	175.8	178.6	-102	0	0	0	111.8	F399 F403 W443 Q448 H451 N452 T453 F457 L458 Q459	F399-F455 HydrophobicContact CE1-CB 4.25Å; F399-F455 HydrophobicContact CZ-CB 4.1Å; F399-F455 AromaticContact CZ-CD2 3.98Å; F399-F455 HydrophobicContact CZ-CD2 3.98Å; F399-F455 HydrophobicContact CZ-CG 4.46Å; F403-F455 AromaticContact CD2-CD2 3.93Å; F403-F455 HydrophobicContact CD2-CD2 3.93Å; F403-F455 AromaticContact CD2-CE2 3.86Å; F403-F455 HydrophobicContact CD2-CE2 3.86Å; F403-F455 AromaticContact CE2-CD2 3.92Å; F403-F455 HydrophobicContact CE2-CD2 3.92Å; F403-F455 AromaticContact CE2-CE2 3.63Å; F403-F455 HydrophobicContact CE2-CE2 3.63Å; W443-F455 AromaticContact CZ2-CE2 3.84Å; W443-F455 HydrophobicContact CZ2-CE2 3.84Å; Q448-F455 HydrophobicContact CG-CD1 4.04Å; Q448-F455 HydrophobicContact CG-CD2 4.08Å; Q448-F455 HydrophobicContact CG-CE1 4.22Å; Q448-F455 HydrophobicContact CG-CE2 4.25Å; Q448-F455 HydrophobicContact CG-CG 3.96Å; Q448-F455 HydrophobicContact CG-CZ 4.32Å; H451-F455 WeakPolarHBondContact O-CB 3.39Å; H451-F455 PolarHBondContact O-N 3.01Å; N452-F455 PolarHBondContact O-N 3.12Å; T453-F455 VanDerWaalsContact C-N 3.35Å; F455-F457 VanDerWaalsContact C-N 3.31Å; F455-F457 PolarHBondContact O-N 3.2Å; F455-L458 PolarHBondContact O-N 3.28Å; F455-L458 VanDerWaalsContact O-N 3.16Å; F455-Q459 HydrophobicContact CD1-CG 4.38Å; F455-Q459 HydrophobicContact CE1-CG 4.01Å; F455-Q459 HydrophobicContact CE2-CG 4.34Å; F455-Q459 HydrophobicContact CZ-CG 4Å; F455-Q459 WeakPolarHBondContact O-CG 3.39Å; F455-Q459 PolarHBondContact O-N 3.46Å
456	R	82.1	Confident	74.7	Confident	103 Å²	103	60.2 Å²	60.2	39%	0.389	30%	0.302	S	S	.	.	H	α-helix	trans	-56.5	-43	174.3	-79.7	-177.5	-76	146	-4.3	112.2	N452 T453 Q459 G460 E504	N452-R456 WeakPolarHBondContact O-CB 3.37Å; N452-R456 WeakPolarHBondContact O-CG 3.3Å; N452-R456 PolarHBondContact O-N 3.48Å; T453-R456 PolarHBondContact O-N 3.47Å; T453-R456 PolarHBondContact OG1-NH2 2.94Å; R456-Q459 PolarHBondContact O-N 3.27Å; R456-G460 PolarHBondContact O-N 2.65Å; R456-E504 IonicContact CZ-OE1 3.16Å; R456-E504 IonicContact NH1-OE1 3.56Å; R456-E504 PolarHBondContact NH1-OE1 3.27Å; R456-E504 IonicContact NH1-OE2 2.92Å; R456-E504 IonicContact NH2-OE1 3.74Å; R456-E504 PolarHBondContact NH2-OE1 3.24Å
457	F	78.8	Confident	73.8	Confident	29 Å²	29	62.1 Å²	62.1	13%	0.127	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-47.1	174.7	174.1	-99.6	0	0	0	112.3	T453 L454 F455 Q459 G460 M461 T479 F480 L483 L486 L508	T453-F457 PolarHBondContact O-N 3.26Å; T453-F457 VanDerWaalsContact O-N 3.09Å; L454-F457 PolarHBondContact O-N 3.31Å; F455-F457 VanDerWaalsContact C-N 3.31Å; F455-F457 PolarHBondContact O-N 3.2Å; F457-Q459 VanDerWaalsContact C-N 3.32Å; F457-Q459 PolarHBondContact O-N 3.48Å; F457-G460 PolarHBondContact O-N 2.75Å; F457-G460 VanDerWaalsContact O-N 3.16Å; F457-M461 HydrophobicContact CE1-CG 4.06Å; F457-M461 HydrophobicContact CE2-CG 4.05Å; F457-M461 HydrophobicContact CE2-SD 4.47Å; F457-M461 HydrophobicContact CZ-CG 3.78Å; F457-M461 HydrophobicContact CZ-SD 4.41Å; F457-M461 WeakPolarHBondContact O-CG 3.37Å; F457-M461 PolarHBondContact O-N 3.18Å; F457-M461 VanDerWaalsContact O-N 3.09Å; F457-T479 HydrophobicContact CE1-CG2 4.46Å; F457-F480 HydrophobicContact CE1-CE1 4.47Å; F457-L483 HydrophobicContact CD1-CD1 3.97Å; F457-L483 HydrophobicContact CD2-CD1 3.62Å; F457-L483 HydrophobicContact CE1-CB 4.33Å; F457-L483 HydrophobicContact CE1-CD1 3.85Å; F457-L483 HydrophobicContact CE1-CG 4.47Å; F457-L483 HydrophobicContact CE2-CD1 3.49Å; F457-L483 VanDerWaalsContact CE2-CD1 3.49Å; F457-L483 HydrophobicContact CG-CD1 3.86Å; F457-L483 HydrophobicContact CZ-CB 4.01Å; F457-L483 HydrophobicContact CZ-CD1 3.61Å; F457-L483 HydrophobicContact CZ-CG 4.35Å; F457-L486 HydrophobicContact CE2-CD1 3.92Å; F457-L508 HydrophobicContact CB-CD2 4.31Å
458	L	76.8	Confident	72.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-34.6	179.3	-72.3	172.5	0	0	0	112.9	A400 F403 L454 F455 M461 E462 F480	A400-L458 HydrophobicContact CB-CD1 4.22Å; F403-L458 HydrophobicContact CB-CD1 4.25Å; F403-L458 HydrophobicContact CD1-CB 3.8Å; F403-L458 HydrophobicContact CD1-CD1 4.09Å; F403-L458 HydrophobicContact CD1-CG 4.38Å; F403-L458 HydrophobicContact CE1-CB 3.6Å; F403-L458 HydrophobicContact CE2-CB 4.38Å; F403-L458 HydrophobicContact CG-CB 4.29Å; F403-L458 HydrophobicContact CG-CD1 4.11Å; F403-L458 HydrophobicContact CZ-CB 3.92Å; L454-L458 HydrophobicContact CD1-CD1 4.16Å; L454-L458 HydrophobicContact CD1-CG 4.17Å; L454-L458 HydrophobicContact CG-CD1 4Å; L454-L458 HydrophobicContact CG-CG 4.44Å; L454-L458 WeakPolarHBondContact O-CB 3.37Å; L454-L458 VanDerWaalsContact O-CG 3.28Å; L454-L458 WeakPolarHBondContact O-CG 3.46Å; L454-L458 PolarHBondContact O-N 3.2Å; F455-L458 PolarHBondContact O-N 3.28Å; F455-L458 VanDerWaalsContact O-N 3.16Å; L458-M461 PolarHBondContact O-N 2.85Å; L458-E462 PolarHBondContact O-N 3.26Å; L458-F480 HydrophobicContact CD2-CE1 4.24Å; L458-F480 HydrophobicContact CD2-CZ 3.95Å
459	Q	75.3	Confident	71.6	Confident	53 Å²	53	64.9 Å²	64.9	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-44.2	170.3	-71.1	-173.4	-58.3	0	0	112.1	F403 F455 R456 F457 M461 E462	F403-Q459 HydrophobicContact CE2-CG 4.18Å; F403-Q459 HydrophobicContact CZ-CG 4.16Å; F455-Q459 HydrophobicContact CD1-CG 4.38Å; F455-Q459 HydrophobicContact CE1-CG 4.01Å; F455-Q459 HydrophobicContact CE2-CG 4.34Å; F455-Q459 HydrophobicContact CZ-CG 4Å; F455-Q459 WeakPolarHBondContact O-CG 3.39Å; F455-Q459 PolarHBondContact O-N 3.46Å; R456-Q459 PolarHBondContact O-N 3.27Å; F457-Q459 VanDerWaalsContact C-N 3.32Å; F457-Q459 PolarHBondContact O-N 3.48Å; Q459-M461 PolarHBondContact O-N 3.46Å; Q459-E462 WeakPolarHBondContact O-CB 3.32Å; Q459-E462 PolarHBondContact O-N 3.11Å
460	G	70.7	Confident	70.1	Confident	63 Å²	63	64.9 Å²	64.9	65%	0.649	33%	0.326	S	S	*	.	H	α-helix	trans	-60.7	-27.5	175.8	0	0	0	0	0	113.5	R456 F457	R456-G460 PolarHBondContact O-N 2.65Å; F457-G460 PolarHBondContact O-N 2.75Å; F457-G460 VanDerWaalsContact O-N 3.16Å
461	M	68	Low	68.3	Low	18 Å²	18	62.1 Å²	62.1	9%	0.089	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.3	176.2	-64.5	-59.4	-69.2	0	0	114	F457 L458 Q459 E463 I464 I465 T479 I482	F457-M461 HydrophobicContact CE1-CG 4.06Å; F457-M461 HydrophobicContact CE2-CG 4.05Å; F457-M461 HydrophobicContact CE2-SD 4.47Å; F457-M461 HydrophobicContact CZ-CG 3.78Å; F457-M461 HydrophobicContact CZ-SD 4.41Å; F457-M461 WeakPolarHBondContact O-CG 3.37Å; F457-M461 PolarHBondContact O-N 3.18Å; F457-M461 VanDerWaalsContact O-N 3.09Å; L458-M461 PolarHBondContact O-N 2.85Å; Q459-M461 PolarHBondContact O-N 3.46Å; M461-E463 VanDerWaalsContact C-N 3.35Å; M461-E463 PolarHBondContact O-N 3.32Å; M461-I464 HydrophobicContact CE-CB 4.14Å; M461-I464 HydrophobicContact CE-CD1 3.62Å; M461-I464 HydrophobicContact CE-CG1 4.47Å; M461-I464 HydrophobicContact CE-CG2 4.01Å; M461-I464 PolarHBondContact O-N 2.84Å; M461-I464 HydrophobicContact SD-CD1 3.96Å; M461-I465 HydrophobicContact CB-CD1 3.9Å; M461-I465 HydrophobicContact CB-CG1 4.4Å; M461-I465 WeakPolarHBondContact O-CD1 3.05Å; M461-I465 VanDerWaalsContact O-CG1 3.31Å; M461-I465 WeakPolarHBondContact O-CG1 3.27Å; M461-I465 PolarHBondContact O-N 2.95Å; M461-T479 HydrophobicContact CE-CG2 4.09Å; M461-T479 HydrophobicContact CG-CG2 4.4Å; M461-I482 HydrophobicContact CE-CD1 4.49Å
462	E	67.8	Low	66.5	Low	40 Å²	40	65 Å²	65	19%	0.187	35%	0.348	C	S	.	.	H	α-helix	trans	-56.7	-44.2	-171.5	-172.5	176.2	166.2	0	0	112.4	V407 L458 Q459 I464 I465 Q466	V407-E462 HydrophobicContact CG1-CG 4.12Å; V407-E462 HydrophobicContact CG2-CG 4.25Å; L458-E462 PolarHBondContact O-N 3.26Å; Q459-E462 WeakPolarHBondContact O-CB 3.32Å; Q459-E462 PolarHBondContact O-N 3.11Å; E462-I464 VanDerWaalsContact C-N 3.32Å; E462-I464 PolarHBondContact O-N 3.34Å; E462-I465 PolarHBondContact O-N 2.83Å; E462-Q466 HydrophobicContact CG-CG 4.44Å; E462-Q466 WeakPolarHBondContact O-CB 3.47Å; E462-Q466 VanDerWaalsContact O-CG 3.27Å; E462-Q466 WeakPolarHBondContact O-CG 3.35Å; E462-Q466 PolarHBondContact O-N 2.71Å; E462-Q466 PolarHBondContact OE1-NE2 2.86Å; E462-Q466 VanDerWaalsContact OE1-NE2 3.12Å
463	E	63.5	Low	64.5	Low	114 Å²	114	68.5 Å²	68.5	53%	0.533	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-33.7	178.1	-175.3	172.6	-153.9	0	0	113	M461 R467	M461-E463 VanDerWaalsContact C-N 3.35Å; M461-E463 PolarHBondContact O-N 3.32Å; E463-R467 WeakPolarHBondContact O-CB 3.4Å; E463-R467 VanDerWaalsContact O-CG 3.26Å; E463-R467 WeakPolarHBondContact O-CG 3.49Å; E463-R467 PolarHBondContact O-N 3.47Å; E463-R467 VanDerWaalsContact O-N 3.17Å; E463-R467 IonicContact OE1-CZ 3.54Å; E463-R467 VanDerWaalsContact OE1-CZ 3.32Å; E463-R467 IonicContact OE1-NE 2.71Å; E463-R467 PolarHBondContact OE1-NE 3.23Å; E463-R467 IonicContact OE1-NH2 2.69Å; E463-R467 PolarHBondContact OE1-NH2 3.37Å
464	I	63.6	Low	62.8	Low	98 Å²	98	73.3 Å²	73.3	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-74	-38.4	176.7	-65.6	170.5	0	0	0	110.3	M461 E462 R467 G468	M461-I464 HydrophobicContact CE-CB 4.14Å; M461-I464 HydrophobicContact CE-CD1 3.62Å; M461-I464 HydrophobicContact CE-CG1 4.47Å; M461-I464 HydrophobicContact CE-CG2 4.01Å; M461-I464 PolarHBondContact O-N 2.84Å; M461-I464 HydrophobicContact SD-CD1 3.96Å; E462-I464 VanDerWaalsContact C-N 3.32Å; E462-I464 PolarHBondContact O-N 3.34Å; I464-R467 PolarHBondContact O-N 3.28Å; I464-G468 PolarHBondContact O-N 2.82Å
465	I	62.4	Low	61.2	Low	24 Å²	24	75.2 Å²	75.2	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-62.7	-46.4	174.3	-67.3	157	0	0	0	109.9	L404 V407 M461 E462 R467 G468	L404-I465 HydrophobicContact CD2-CD1 3.56Å; L404-I465 HydrophobicContact CD2-CG1 3.97Å; L404-I465 HydrophobicContact CD2-CG2 3.75Å; V407-I465 HydrophobicContact CB-CG2 4.47Å; V407-I465 HydrophobicContact CG1-CG2 3.81Å; M461-I465 HydrophobicContact CB-CD1 3.9Å; M461-I465 HydrophobicContact CB-CG1 4.4Å; M461-I465 WeakPolarHBondContact O-CD1 3.05Å; M461-I465 VanDerWaalsContact O-CG1 3.31Å; M461-I465 WeakPolarHBondContact O-CG1 3.27Å; M461-I465 PolarHBondContact O-N 2.95Å; E462-I465 PolarHBondContact O-N 2.83Å; I465-R467 VanDerWaalsContact C-N 3.33Å; I465-R467 PolarHBondContact O-N 3Å; I465-G468 PolarHBondContact O-N 3.39Å
466	Q	60.8	Low	59.9	Low	74 Å²	74	76.9 Å²	76.9	35%	0.346	41%	0.409	S	S	.	.	H	α-helix	trans	-65.1	-30.4	179.6	-74.4	174.6	4.4	0	0	113.8	V407 H411 E462	V407-Q466 HydrophobicContact CG1-CG 3.93Å; H411-Q466 PolarHBondContact CE1-O 2.68Å; E462-Q466 HydrophobicContact CG-CG 4.44Å; E462-Q466 WeakPolarHBondContact O-CB 3.47Å; E462-Q466 VanDerWaalsContact O-CG 3.27Å; E462-Q466 WeakPolarHBondContact O-CG 3.35Å; E462-Q466 PolarHBondContact O-N 2.71Å; E462-Q466 PolarHBondContact OE1-NE2 2.86Å; E462-Q466 VanDerWaalsContact OE1-NE2 3.12Å
467	R	57.4	Low	58.6	Low	195 Å²	195	76.2 Å²	76.2	74%	0.736	42%	0.42	S	S	*	.	H	α-helix	trans	-88.1	-7.7	179.4	-68.1	174.3	-176.6	-150	5.6	113.7	E463 I464 I465	E463-R467 WeakPolarHBondContact O-CB 3.4Å; E463-R467 VanDerWaalsContact O-CG 3.26Å; E463-R467 WeakPolarHBondContact O-CG 3.49Å; E463-R467 PolarHBondContact O-N 3.47Å; E463-R467 VanDerWaalsContact O-N 3.17Å; E463-R467 IonicContact OE1-CZ 3.54Å; E463-R467 VanDerWaalsContact OE1-CZ 3.32Å; E463-R467 IonicContact OE1-NE 2.71Å; E463-R467 PolarHBondContact OE1-NE 3.23Å; E463-R467 IonicContact OE1-NH2 2.69Å; E463-R467 PolarHBondContact OE1-NH2 3.37Å; I464-R467 PolarHBondContact O-N 3.28Å; I465-R467 VanDerWaalsContact C-N 3.33Å; I465-R467 PolarHBondContact O-N 3Å
468	G	55.3	Low	57.7	Low	24 Å²	24	84.3 Å²	84.3	25%	0.247	45%	0.449	C	S	.	.	S	Bend	trans	-78	148.4	-177.7	0	0	0	0	0	113.7	I464 I465	I464-G468 PolarHBondContact O-N 2.82Å; I465-G468 PolarHBondContact O-N 3.39Å
469	P	47.4	Very low	56.9	Low	112 Å²	112	84.9 Å²	84.9	73%	0.727	45%	0.453	S	S	*	.			trans	-64.6	141.2	175.2	26.8	-33.8	0	0	0	111.6	T471	P469-T471 PolarHBondContact O-N 3.49Å
470	F	45.7	Very low	56.4	Low	156 Å²	156	82.5 Å²	82.5	68%	0.684	44%	0.442	S	S	*	.	S	Bend	trans	-66.8	54.2	-174.5	-110.3	-94.8	0	0	0	114.9	A408 H411	A408-F470 HydrophobicContact CB-CE1 4.44Å; A408-F470 HydrophobicContact CB-CZ 4.37Å; H411-F470 HydrophobicContact CB-CE2 4.3Å; H411-F470 HydrophobicContact CB-CZ 4.29Å; H411-F470 AromaticContact CD2-CE2 3.55Å; H411-F470 AromaticContact CD2-CZ 3.77Å; H411-F470 AromaticContact CG-CE2 3.96Å
471	T	44.7	Very low	56	Low	77 Å²	77	80.6 Å²	80.6	47%	0.472	42%	0.422	S	S	.	.			trans	-121	85.9	166.6	48.3	0	0	0	0	108.7	P469 L473 I474	P469-T471 PolarHBondContact O-N 3.49Å; T471-L473 PolarHBondContact O-N 2.95Å; T471-I474 PolarHBondContact O-N 2.85Å; T471-I474 VanDerWaalsContact O-N 3.14Å
472	A	45.2	Very low	56	Low	81 Å²	81	83.1 Å²	83.1	67%	0.669	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	14.2	-169.2	0	0	0	0	0	116.4	F476	A472-F476 WeakPolarHBondContact O-CD2 3.24Å; A472-F476 WeakPolarHBondContact O-CE2 3.35Å
473	L	42.5	Very low	56.1	Low	144 Å²	144	81.2 Å²	81.2	75%	0.754	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-35.6	174.3	-153.2	76.1	0	0	0	112.4	T471	T471-L473 PolarHBondContact O-N 2.95Å
474	I	46.1	Very low	56.8	Low	127 Å²	127	76.1 Å²	76.1	65%	0.651	40%	0.402	S	S	*	.	H	α-helix	trans	-76.5	-31.8	-176.6	-59.5	176.7	0	0	0	110.8	T471	T471-I474 PolarHBondContact O-N 2.85Å; T471-I474 VanDerWaalsContact O-N 3.14Å
475	C	49.1	Very low	57.3	Low	43 Å²	43	75.9 Å²	75.9	29%	0.291	40%	0.399	S	S	.	.	H	α-helix	trans	-68.3	-40.4	175.7	-161.1	0	0	0	0	112.2	C477 R478 T479	C475-C477 PolarHBondContact O-N 3.47Å; C475-R478 PolarHBondContact O-N 3.02Å; C475-T479 WeakPolarHBondContact O-CB 3.42Å; C475-T479 PolarHBondContact O-N 2.89Å; C475-T479 PolarHBondContact O-OG1 3.35Å; C475-T479 VanDerWaalsContact O-OG1 3.07Å
476	F	55.5	Low	57.6	Low	39 Å²	39	79.3 Å²	79.3	17%	0.171	42%	0.417	C	S	.	.	H	α-helix	trans	-52.9	-59.7	-177.1	-98.7	-102.7	0	0	0	112.8	K401 L404 A472 R478 T479 F480 F515	K401-F476 HydrophobicContact CG-CE1 4.13Å; K401-F476 HydrophobicContact CG-CZ 3.81Å; L404-F476 HydrophobicContact CB-CE2 4.46Å; L404-F476 HydrophobicContact CB-CZ 4.4Å; L404-F476 HydrophobicContact CD1-CD1 4.33Å; L404-F476 HydrophobicContact CD1-CD2 4.13Å; L404-F476 HydrophobicContact CD1-CE1 3.7Å; L404-F476 HydrophobicContact CD1-CE2 3.5Å; L404-F476 VanDerWaalsContact CD1-CE2 3.5Å; L404-F476 HydrophobicContact CD1-CZ 3.26Å; L404-F476 HydrophobicContact CG-CZ 4.43Å; A472-F476 WeakPolarHBondContact O-CD2 3.24Å; A472-F476 WeakPolarHBondContact O-CE2 3.35Å; F476-R478 PolarHBondContact O-N 3.23Å; F476-T479 PolarHBondContact O-N 2.89Å; F476-F480 HydrophobicContact CD1-CD2 4.23Å; F476-F480 AromaticContact CD1-CE2 3.79Å; F476-F480 HydrophobicContact CD1-CE2 3.79Å; F476-F480 HydrophobicContact CE1-CE2 4.21Å; F476-F480 VanDerWaalsContact O-CD2 3.22Å; F476-F480 WeakPolarHBondContact O-CD2 3.37Å; F476-F480 PolarHBondContact O-N 3.36Å; F476-F480 VanDerWaalsContact O-N 3.09Å; F476-F515 HydrophobicContact CD1-CD1 4.06Å; F476-F515 HydrophobicContact CD1-CE1 4.08Å; F476-F515 HydrophobicContact CE1-CD1 4.44Å; F476-F515 AromaticContact CE1-CE1 4Å; F476-F515 HydrophobicContact CE1-CE1 4Å
477	C	54.1	Low	58.1	Low	90 Å²	90	75.9 Å²	75.9	61%	0.608	40%	0.401	S	S	*	.	H	α-helix	trans	-63.8	-30.1	-175.3	-59	0	0	0	0	112.4	C475 G481	C475-C477 PolarHBondContact O-N 3.47Å; C477-G481 PolarHBondContact O-N 2.92Å
478	R	59	Low	58.8	Low	199 Å²	199	66.8 Å²	66.8	75%	0.751	37%	0.368	S	S	*	.	H	α-helix	trans	-75.6	-44.5	179.5	-160	173.3	-174.6	178.4	0.5	111.8	C475 F476 G481 I482	C475-R478 PolarHBondContact O-N 3.02Å; F476-R478 PolarHBondContact O-N 3.23Å; R478-G481 PolarHBondContact O-N 3.41Å; R478-I482 WeakPolarHBondContact O-CG1 3.43Å; R478-I482 PolarHBondContact O-N 3.47Å; R478-I482 VanDerWaalsContact O-N 3.08Å
479	T	61.1	Low	59.2	Low	11 Å²	11	67.5 Å²	67.5	7%	0.067	38%	0.375	C	S	.	.	H	α-helix	trans	-64.1	-40.6	177.8	-59	0	0	0	0	112.3	F457 M461 C475 F476 L483	F457-T479 HydrophobicContact CE1-CG2 4.46Å; M461-T479 HydrophobicContact CE-CG2 4.09Å; M461-T479 HydrophobicContact CG-CG2 4.4Å; C475-T479 WeakPolarHBondContact O-CB 3.42Å; C475-T479 PolarHBondContact O-N 2.89Å; C475-T479 PolarHBondContact O-OG1 3.35Å; C475-T479 VanDerWaalsContact O-OG1 3.07Å; F476-T479 PolarHBondContact O-N 2.89Å; T479-L483 PolarHBondContact O-N 3.26Å
480	F	64.9	Low	60.1	Low	3 Å²	3	65.8 Å²	65.8	1%	0.013	36%	0.363	C	S	.	.	H	α-helix	trans	-83.5	-13.4	176.5	-65.3	-66.5	0	0	0	114.3	A400 L454 F457 L458 F476 L483 S512 F515	A400-F480 HydrophobicContact CB-CZ 4.24Å; L454-F480 HydrophobicContact CD1-CE1 4.1Å; F457-F480 HydrophobicContact CE1-CE1 4.47Å; L458-F480 HydrophobicContact CD2-CE1 4.24Å; L458-F480 HydrophobicContact CD2-CZ 3.95Å; F476-F480 HydrophobicContact CD1-CD2 4.23Å; F476-F480 AromaticContact CD1-CE2 3.79Å; F476-F480 HydrophobicContact CD1-CE2 3.79Å; F476-F480 HydrophobicContact CE1-CE2 4.21Å; F476-F480 VanDerWaalsContact O-CD2 3.22Å; F476-F480 WeakPolarHBondContact O-CD2 3.37Å; F476-F480 PolarHBondContact O-N 3.36Å; F476-F480 VanDerWaalsContact O-N 3.09Å; F480-L483 HydrophobicContact CD1-CD2 4.15Å; F480-L483 WeakPolarHBondContact O-CB 3.24Å; F480-S512 PolarHBondContact O-OG 2.89Å; F480-F515 HydrophobicContact CB-CB 3.63Å; F480-F515 HydrophobicContact CB-CD2 4.1Å; F480-F515 HydrophobicContact CB-CG 4.07Å; F480-F515 AromaticContact CD1-CD2 3.5Å; F480-F515 HydrophobicContact CD1-CD2 3.5Å; F480-F515 VanDerWaalsContact CD1-CD2 3.5Å; F480-F515 AromaticContact CD1-CE2 3.98Å; F480-F515 HydrophobicContact CD1-CE2 3.98Å; F480-F515 HydrophobicContact CD1-CG 4.18Å; F480-F515 HydrophobicContact CD2-CB 3.77Å; F480-F515 AromaticContact CD2-CD1 3.78Å; F480-F515 HydrophobicContact CD2-CD1 3.78Å; F480-F515 AromaticContact CD2-CD2 3.51Å; F480-F515 HydrophobicContact CD2-CD2 3.51Å; F480-F515 HydrophobicContact CD2-CE1 4.33Å; F480-F515 HydrophobicContact CD2-CE2 4.11Å; F480-F515 AromaticContact CD2-CG 3.37Å; F480-F515 HydrophobicContact CD2-CG 3.37Å; F480-F515 HydrophobicContact CD2-CZ 4.5Å; F480-F515 AromaticContact CE1-CD2 3.69Å; F480-F515 HydrophobicContact CE1-CD2 3.69Å; F480-F515 AromaticContact CE1-CE2 3.66Å; F480-F515 HydrophobicContact CE1-CE2 3.66Å; F480-F515 HydrophobicContact CE1-CZ 4.44Å; F480-F515 AromaticContact CE2-CD1 3.87Å; F480-F515 HydrophobicContact CE2-CD1 3.87Å; F480-F515 AromaticContact CE2-CD2 3.72Å; F480-F515 HydrophobicContact CE2-CD2 3.72Å; F480-F515 AromaticContact CE2-CE1 3.93Å; F480-F515 HydrophobicContact CE2-CE1 3.93Å; F480-F515 AromaticContact CE2-CE2 3.81Å; F480-F515 HydrophobicContact CE2-CE2 3.81Å; F480-F515 AromaticContact CE2-CG 3.79Å; F480-F515 HydrophobicContact CE2-CG 3.79Å; F480-F515 AromaticContact CE2-CZ 3.94Å; F480-F515 HydrophobicContact CE2-CZ 3.94Å; F480-F515 HydrophobicContact CG-CB 3.76Å; F480-F515 HydrophobicContact CG-CD1 4.45Å; F480-F515 AromaticContact CG-CD2 3.41Å; F480-F515 HydrophobicContact CG-CD2 3.41Å; F480-F515 VanDerWaalsContact CG-CD2 3.41Å; F480-F515 HydrophobicContact CG-CE2 4.2Å; F480-F515 AromaticContact CG-CG 3.6Å; F480-F515 HydrophobicContact CG-CG 3.6Å; F480-F515 AromaticContact CZ-CD2 3.79Å; F480-F515 HydrophobicContact CZ-CD2 3.79Å; F480-F515 HydrophobicContact CZ-CE1 4.36Å; F480-F515 AromaticContact CZ-CE2 3.56Å; F480-F515 HydrophobicContact CZ-CE2 3.56Å; F480-F515 HydrophobicContact CZ-CG 4.34Å; F480-F515 AromaticContact CZ-CZ 3.9Å; F480-F515 HydrophobicContact CZ-CZ 3.9Å
481	G	62.5	Low	61.1	Low	24 Å²	24	58.4 Å²	58.4	25%	0.247	33%	0.33	C	S	.	.	H	α-helix	trans	-69.9	-44.2	164.2	0	0	0	0	0	111.9	C477 R478 L483 F484	C477-G481 PolarHBondContact O-N 2.92Å; R478-G481 PolarHBondContact O-N 3.41Å; G481-L483 PolarHBondContact O-N 3.09Å; G481-F484 PolarHBondContact O-N 2.81Å; G481-F484 VanDerWaalsContact O-N 3.16Å
482	I	66.4	Low	62	Low	70 Å²	70	55 Å²	55	36%	0.359	31%	0.309	S	S	.	.	H	α-helix	trans	-56.4	-36.8	172.4	-67.5	164	0	0	0	110.9	M461 R478 F484 E485 L486	M461-I482 HydrophobicContact CE-CD1 4.49Å; R478-I482 WeakPolarHBondContact O-CG1 3.43Å; R478-I482 PolarHBondContact O-N 3.47Å; R478-I482 VanDerWaalsContact O-N 3.08Å; I482-F484 VanDerWaalsContact C-N 3.28Å; I482-F484 PolarHBondContact O-N 2.98Å; I482-E485 PolarHBondContact O-N 3.14Å; I482-L486 HydrophobicContact CG2-CD1 3.66Å; I482-L486 HydrophobicContact CG2-CG 3.95Å; I482-L486 WeakPolarHBondContact O-CB 3.49Å; I482-L486 WeakPolarHBondContact O-CG 3.48Å; I482-L486 PolarHBondContact O-N 3.02Å
483	L	71.3	Confident	62.7	Low	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-39	179.3	-173.5	66.4	0	0	0	112.9	F457 T479 F480 G481 T487 L508 A511	F457-L483 HydrophobicContact CD1-CD1 3.97Å; F457-L483 HydrophobicContact CD2-CD1 3.62Å; F457-L483 HydrophobicContact CE1-CB 4.33Å; F457-L483 HydrophobicContact CE1-CD1 3.85Å; F457-L483 HydrophobicContact CE1-CG 4.47Å; F457-L483 HydrophobicContact CE2-CD1 3.49Å; F457-L483 VanDerWaalsContact CE2-CD1 3.49Å; F457-L483 HydrophobicContact CG-CD1 3.86Å; F457-L483 HydrophobicContact CZ-CB 4.01Å; F457-L483 HydrophobicContact CZ-CD1 3.61Å; F457-L483 HydrophobicContact CZ-CG 4.35Å; T479-L483 PolarHBondContact O-N 3.26Å; F480-L483 HydrophobicContact CD1-CD2 4.15Å; F480-L483 WeakPolarHBondContact O-CB 3.24Å; G481-L483 PolarHBondContact O-N 3.09Å; L483-T487 WeakPolarHBondContact O-CG2 3.35Å; L483-T487 PolarHBondContact O-N 3.39Å; L483-T487 PolarHBondContact O-OG1 3.08Å; L483-T487 VanDerWaalsContact O-OG1 3.13Å; L483-L508 HydrophobicContact CD1-CB 3.99Å; L483-L508 HydrophobicContact CD1-CD1 4.06Å; L483-L508 HydrophobicContact CD1-CD2 3.84Å; L483-L508 HydrophobicContact CD1-CG 4.14Å; L483-L508 HydrophobicContact CD2-CB 4.23Å; L483-L508 HydrophobicContact CD2-CD2 4.32Å; L483-L508 VanDerWaalsContact CD2-O 3.28Å; L483-L508 WeakPolarHBondContact CD2-O 3.49Å; L483-L508 HydrophobicContact CG-CB 4.2Å; L483-A511 HydrophobicContact CD2-CB 4.1Å
484	F	77.6	Confident	63.4	Low	6 Å²	6	50.9 Å²	50.9	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-51.3	176.9	175.1	-102.9	0	0	0	111.4	G481 I482 L486 T487 V488 L509 N517 R519 A520 L523 L848	G481-F484 PolarHBondContact O-N 2.81Å; G481-F484 VanDerWaalsContact O-N 3.16Å; I482-F484 VanDerWaalsContact C-N 3.28Å; I482-F484 PolarHBondContact O-N 2.98Å; F484-L486 VanDerWaalsContact C-N 3.31Å; F484-L486 PolarHBondContact O-N 3.42Å; F484-T487 WeakPolarHBondContact CA-OG1 3.29Å; F484-T487 CarbonylContact O-C 3.53Å; F484-T487 WeakPolarHBondContact O-CA 3.42Å; F484-T487 PolarHBondContact O-N 2.83Å; F484-T487 PolarHBondContact O-OG1 3.43Å; F484-V488 HydrophobicContact CD1-CG2 4.03Å; F484-V488 HydrophobicContact CD2-CG2 4.26Å; F484-V488 HydrophobicContact CE1-CG2 3.68Å; F484-V488 HydrophobicContact CE2-CG2 3.94Å; F484-V488 HydrophobicContact CG-CG2 4.31Å; F484-V488 HydrophobicContact CZ-CG2 3.64Å; F484-V488 WeakPolarHBondContact O-CG2 3.49Å; F484-V488 PolarHBondContact O-N 3.05Å; F484-L509 HydrophobicContact CD2-CD2 3.95Å; F484-L509 HydrophobicContact CE2-CD2 4.32Å; F484-N517 WeakPolarHBondContact CB-ND2 3.38Å; F484-N517 WeakPolarHBondContact CG-ND2 3.42Å; F484-R519 HydrophobicContact CE1-CB 4.19Å; F484-R519 HydrophobicContact CE2-CB 4.19Å; F484-R519 HydrophobicContact CZ-CB 3.84Å; F484-A520 HydrophobicContact CD2-CB 3.74Å; F484-A520 HydrophobicContact CE2-CB 4.21Å; F484-L523 HydrophobicContact CE2-CD2 4.07Å; F484-L848 HydrophobicContact CZ-CD1 3.96Å
485	E	74.7	Confident	63.8	Low	93 Å²	93	50.6 Å²	50.6	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-39.3	-179.3	-53.8	-59.2	160.3	0	0	111.8	I482 T487 V488	I482-E485 PolarHBondContact O-N 3.14Å; E485-T487 PolarHBondContact O-N 3.47Å; E485-V488 PolarHBondContact O-N 3.3Å
486	L	68.6	Low	63.7	Low	96 Å²	96	52.3 Å²	52.3	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-39.7	172.5	-72.9	174.8	0	0	0	112.7	F457 I482 F484 T490	F457-L486 HydrophobicContact CE2-CD1 3.92Å; I482-L486 HydrophobicContact CG2-CD1 3.66Å; I482-L486 HydrophobicContact CG2-CG 3.95Å; I482-L486 WeakPolarHBondContact O-CB 3.49Å; I482-L486 WeakPolarHBondContact O-CG 3.48Å; I482-L486 PolarHBondContact O-N 3.02Å; F484-L486 VanDerWaalsContact C-N 3.31Å; F484-L486 PolarHBondContact O-N 3.42Å; L486-T490 PolarHBondContact O-OG1 3.02Å
487	T	71.1	Confident	63.7	Low	2 Å²	2	57.3 Å²	57.3	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-70.4	-37.4	175.3	53.3	0	0	0	0	112.4	L483 F484 E485 G489 T490 V491 L508 L509	L483-T487 WeakPolarHBondContact O-CG2 3.35Å; L483-T487 PolarHBondContact O-N 3.39Å; L483-T487 PolarHBondContact O-OG1 3.08Å; L483-T487 VanDerWaalsContact O-OG1 3.13Å; F484-T487 WeakPolarHBondContact CA-OG1 3.29Å; F484-T487 CarbonylContact O-C 3.53Å; F484-T487 WeakPolarHBondContact O-CA 3.42Å; F484-T487 PolarHBondContact O-N 2.83Å; F484-T487 PolarHBondContact O-OG1 3.43Å; E485-T487 PolarHBondContact O-N 3.47Å; T487-G489 VanDerWaalsContact C-N 3.33Å; T487-G489 PolarHBondContact O-N 2.72Å; T487-T490 CarbonylContact O-C 3.51Å; T487-T490 PolarHBondContact O-N 3.21Å; T487-T490 PolarHBondContact O-OG1 3.46Å; T487-V491 WeakPolarHBondContact O-CB 3.35Å; T487-V491 WeakPolarHBondContact O-CG2 3.32Å; T487-V491 PolarHBondContact O-N 2.68Å; T487-L508 HydrophobicContact CG2-CB 3.52Å; T487-L508 HydrophobicContact CG2-CD1 4.04Å; T487-L508 HydrophobicContact CG2-CG 4.44Å; T487-L509 WeakPolarHBondContact OG1-CD2 3.14Å
488	V	71.9	Confident	64.1	Low	4 Å²	4	57.9 Å²	57.9	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-56.2	-45.2	-175.8	166.2	0	0	0	0	111.8	F484 E485 T490 E841 V844	F484-V488 HydrophobicContact CD1-CG2 4.03Å; F484-V488 HydrophobicContact CD2-CG2 4.26Å; F484-V488 HydrophobicContact CE1-CG2 3.68Å; F484-V488 HydrophobicContact CE2-CG2 3.94Å; F484-V488 HydrophobicContact CG-CG2 4.31Å; F484-V488 HydrophobicContact CZ-CG2 3.64Å; F484-V488 WeakPolarHBondContact O-CG2 3.49Å; F484-V488 PolarHBondContact O-N 3.05Å; E485-V488 PolarHBondContact O-N 3.3Å; V488-T490 PolarHBondContact O-N 3.47Å; V488-E841 HydrophobicContact CG1-CG 4.09Å; V488-V844 HydrophobicContact CG1-CB 4.05Å; V488-V844 HydrophobicContact CG1-CG1 3.97Å; V488-V844 HydrophobicContact CG1-CG2 4.42Å; V488-V844 HydrophobicContact CG2-CG1 4.13Å
489	G	63.5	Low	64.5	Low	39 Å²	39	48.6 Å²	48.6	40%	0.402	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	2.9	176.4	0	0	0	0	0	115.7	T487	T487-G489 VanDerWaalsContact C-N 3.33Å; T487-G489 PolarHBondContact O-N 2.72Å
490	T	66.1	Low	65.1	Low	77 Å²	77	52.3 Å²	52.3	47%	0.472	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	8.1	-178.3	56.7	0	0	0	0	113.7	L486 T487 V488 S505	L486-T490 PolarHBondContact O-OG1 3.02Å; T487-T490 CarbonylContact O-C 3.51Å; T487-T490 PolarHBondContact O-N 3.21Å; T487-T490 PolarHBondContact O-OG1 3.46Å; V488-T490 PolarHBondContact O-N 3.47Å; T490-S505 PolarHBondContact O-OG 2.88Å
491	V	68.2	Low	65.8	Low	0 Å²	0	53 Å²	53	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-78	-35.1	-175.4	145.2	0	0	0	0	112.1	T487 I501 P502 L509 V844	T487-V491 WeakPolarHBondContact O-CB 3.35Å; T487-V491 WeakPolarHBondContact O-CG2 3.32Å; T487-V491 PolarHBondContact O-N 2.68Å; V491-I501 HydrophobicContact CG1-CD1 4.45Å; V491-I501 WeakPolarHBondContact O-CA 3.46Å; V491-P502 VanDerWaalsContact O-CD 3.27Å; V491-P502 WeakPolarHBondContact O-CD 3.13Å; V491-L509 HydrophobicContact CG2-CD1 3.9Å; V491-L509 HydrophobicContact CG2-CG 4.41Å; V491-V844 HydrophobicContact CG1-CG2 4.45Å
492	F	63.1	Low	66.8	Low	5 Å²	5	53.6 Å²	53.6	2%	0.022	30%	0.299	C	S	.	.			trans	-108.8	119.5	177.8	-66.5	-51.4	0	0	0	110.2	I499 I501 L843 V844 I847	F492-I499 HydrophobicContact CB-CG2 4.2Å; F492-I499 HydrophobicContact CD1-CG2 3.19Å; F492-I499 HydrophobicContact CE1-CG2 3.65Å; F492-I499 HydrophobicContact CG-CG2 3.87Å; F492-I501 HydrophobicContact CD1-CD1 4.25Å; F492-I501 HydrophobicContact CD1-CG1 3.81Å; F492-I501 HydrophobicContact CE1-CD1 3.77Å; F492-I501 HydrophobicContact CE1-CG1 3.84Å; F492-L843 HydrophobicContact CD2-CD2 4.28Å; F492-L843 HydrophobicContact CE2-CD2 4.26Å; F492-L843 HydrophobicContact CE2-CG 4.35Å; F492-V844 HydrophobicContact CD2-CG2 3.59Å; F492-V844 HydrophobicContact CE2-CG2 3.46Å; F492-V844 VanDerWaalsContact CE2-CG2 3.46Å; F492-I847 HydrophobicContact CE2-CD1 4.07Å; F492-I847 HydrophobicContact CZ-CD1 4.09Å
493	L	60.2	Low	67.5	Low	79 Å²	79	55 Å²	55	41%	0.414	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.4	164.8	-67.5	177	0	0	0	109	Q500 P502	L493-Q500 PolarHBondContact N-O 2.91Å; L493-Q500 PolarHBondContact O-N 3.49Å; L493-P502 HydrophobicContact CD1-CG 3.76Å; L493-P502 HydrophobicContact CG-CG 4.12Å
494	V	56.3	Low	68.1	Low	60 Å²	60	59 Å²	59	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	85.5	169.5	-177	0	0	0	0	109.4	Q498 W839	V494-Q498 WeakPolarHBondContact CA-O 3.46Å; V494-W839 HydrophobicContact CG2-CH2 3.34Å; V494-W839 HydrophobicContact CG2-CZ2 3.37Å
495	E	54.3	Low	68.4	Low	122 Å²	122	59.1 Å²	59.1	57%	0.57	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.8	166.5	-68.7	-165.8	176.4	0	0	109.5	K497 Q498	E495-K497 PolarHBondContact O-N 3.38Å; E495-K497 VanDerWaalsContact O-N 3.11Å; E495-Q498 PolarHBondContact N-O 3.24Å; E495-Q498 PolarHBondContact O-N 3.29Å
496	G	47.8	Very low	69	Low	78 Å²	78	55.2 Å²	55.2	80%	0.804	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	24.1	174.2	0	0	0	0	0	115.9	Q498	G496-Q498 VanDerWaalsContact C-N 3.34Å
497	K	55.2	Low	69.9	Low	145 Å²	145	53.2 Å²	53.2	63%	0.63	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	20.1	-173.5	-48.2	179.4	176.8	-172.5	0	115.2	E495	E495-K497 PolarHBondContact O-N 3.38Å; E495-K497 VanDerWaalsContact O-N 3.11Å
498	Q	61.5	Low	70.6	Confident	101 Å²	101	54.4 Å²	54.4	47%	0.472	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.2	170.5	-66.4	-175.6	-11.2	0	0	110.2	V494 E495 G496 Q500	V494-Q498 WeakPolarHBondContact CA-O 3.46Å; E495-Q498 PolarHBondContact N-O 3.24Å; E495-Q498 PolarHBondContact O-N 3.29Å; G496-Q498 VanDerWaalsContact C-N 3.34Å; Q498-Q500 PolarHBondContact O-N 3.48Å
499	I	68.1	Low	71.5	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	122.2	169.8	-60.7	174.4	0	0	0	107.5	F492 G533 L843 T869 V880	F492-I499 HydrophobicContact CB-CG2 4.2Å; F492-I499 HydrophobicContact CD1-CG2 3.19Å; F492-I499 HydrophobicContact CE1-CG2 3.65Å; F492-I499 HydrophobicContact CG-CG2 3.87Å; I499-G533 WeakPolarHBondContact O-CA 3.34Å; I499-L843 HydrophobicContact CD1-CD2 4.19Å; I499-T869 HydrophobicContact CD1-CG2 3.91Å; I499-T869 HydrophobicContact CG1-CG2 4.21Å; I499-V880 HydrophobicContact CB-CG1 4.23Å
500	Q	74	Confident	72.7	Confident	89 Å²	89	55.3 Å²	55.3	42%	0.416	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.3	172.8	-62	-169.7	13.5	0	0	110.6	L493 Q498	L493-Q500 PolarHBondContact N-O 2.91Å; L493-Q500 PolarHBondContact O-N 3.49Å; Q498-Q500 PolarHBondContact O-N 3.48Å
501	I	79.4	Confident	73.8	Confident	18 Å²	18	51.8 Å²	51.8	9%	0.092	29%	0.287	C	S	.	.			trans	-108.4	122.5	176.5	-57.4	-178.2	0	0	0	110.2	V491 F492 M506 I527 L532 G533	V491-I501 HydrophobicContact CG1-CD1 4.45Å; V491-I501 WeakPolarHBondContact O-CA 3.46Å; F492-I501 HydrophobicContact CD1-CD1 4.25Å; F492-I501 HydrophobicContact CD1-CG1 3.81Å; F492-I501 HydrophobicContact CE1-CD1 3.77Å; F492-I501 HydrophobicContact CE1-CG1 3.84Å; I501-M506 HydrophobicContact CG2-CG 3.82Å; I501-M506 HydrophobicContact CG2-SD 3.85Å; I501-I527 HydrophobicContact CD1-CB 4.28Å; I501-I527 HydrophobicContact CD1-CD1 3.58Å; I501-I527 HydrophobicContact CD1-CG1 3.61Å; I501-I527 HydrophobicContact CD1-CG2 3.65Å; I501-L532 WeakPolarHBondContact CD1-O 3.44Å; I501-G533 PolarHBondContact N-O 3.02Å; I501-G533 VanDerWaalsContact N-O 3.09Å
502	P	82.7	Confident	74.7	Confident	36 Å²	36	51.8 Å²	51.8	23%	0.234	29%	0.287	C	S	.	.			trans	-59.4	139.7	174.4	-23.5	33.5	0	0	0	112.5	V491 L493 E504 S505 M506	V491-P502 VanDerWaalsContact O-CD 3.27Å; V491-P502 WeakPolarHBondContact O-CD 3.13Å; L493-P502 HydrophobicContact CD1-CG 3.76Å; L493-P502 HydrophobicContact CG-CG 4.12Å; P502-E504 PolarHBondContact O-N 2.93Å; P502-S505 WeakPolarHBondContact O-CB 3.5Å; P502-S505 PolarHBondContact O-N 3.03Å; P502-S505 VanDerWaalsContact O-N 3.07Å; P502-M506 PolarHBondContact O-N 2.87Å
503	S	82.9	Confident	76	Confident	98 Å²	98	51.8 Å²	51.8	69%	0.685	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-29.4	175.4	57.7	0	0	0	0	112.7	V507	S503-V507 WeakPolarHBondContact O-CG2 3.34Å; S503-V507 PolarHBondContact O-N 2.87Å
504	E	83.4	Confident	77.4	Confident	85 Å²	85	48.8 Å²	48.8	40%	0.397	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-46.8	172.4	-61.6	-159.6	152.4	0	0	111.5	T453 R456 P502 M506 V507 L508	T453-E504 HydrophobicContact CG2-CB 3.78Å; T453-E504 HydrophobicContact CG2-CG 4Å; R456-E504 IonicContact CZ-OE1 3.16Å; R456-E504 IonicContact NH1-OE1 3.56Å; R456-E504 PolarHBondContact NH1-OE1 3.27Å; R456-E504 IonicContact NH1-OE2 2.92Å; R456-E504 IonicContact NH2-OE1 3.74Å; R456-E504 PolarHBondContact NH2-OE1 3.24Å; P502-E504 PolarHBondContact O-N 2.93Å; E504-M506 VanDerWaalsContact C-N 3.31Å; E504-M506 PolarHBondContact O-N 2.71Å; E504-V507 PolarHBondContact O-N 2.82Å; E504-V507 VanDerWaalsContact O-N 3.17Å; E504-L508 WeakPolarHBondContact O-CG 3.39Å; E504-L508 PolarHBondContact O-N 3.42Å
505	S	84.3	Confident	78.8	Confident	9 Å²	9	47.3 Å²	47.3	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-39.9	178	-52.8	0	0	0	0	111.8	T490 P502 L508 L509	T490-S505 PolarHBondContact O-OG 2.88Å; P502-S505 WeakPolarHBondContact O-CB 3.5Å; P502-S505 PolarHBondContact O-N 3.03Å; P502-S505 VanDerWaalsContact O-N 3.07Å; S505-L508 PolarHBondContact O-N 2.75Å; S505-L509 WeakPolarHBondContact O-CB 3.33Å; S505-L509 WeakPolarHBondContact O-CG 3.33Å; S505-L509 PolarHBondContact O-N 2.81Å
506	M	87.5	Confident	80.2	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.059	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-45.7	174.5	-69.4	-63.5	-75.5	0	0	112.6	I501 P502 E504 L508 L509 Q510 L524 I527 Y528	I501-M506 HydrophobicContact CG2-CG 3.82Å; I501-M506 HydrophobicContact CG2-SD 3.85Å; P502-M506 PolarHBondContact O-N 2.87Å; E504-M506 VanDerWaalsContact C-N 3.31Å; E504-M506 PolarHBondContact O-N 2.71Å; M506-L508 VanDerWaalsContact C-N 3.34Å; M506-L508 PolarHBondContact O-N 2.69Å; M506-L509 PolarHBondContact O-N 3.5Å; M506-Q510 VanDerWaalsContact O-CG 3.31Å; M506-Q510 WeakPolarHBondContact O-CG 3.31Å; M506-Q510 PolarHBondContact O-N 3.5Å; M506-L524 HydrophobicContact CE-CD2 3.87Å; M506-L524 HydrophobicContact SD-CD2 4.16Å; M506-I527 HydrophobicContact CE-CG2 4.11Å; M506-I527 HydrophobicContact SD-CD1 4.14Å; M506-I527 HydrophobicContact SD-CG2 4.16Å; M506-Y528 HydrophobicContact CE-CE1 3.85Å; M506-Y528 HydrophobicContact CE-CE2 4.05Å; M506-Y528 WeakPolarHBondContact CE-OH 3.18Å
507	V	87.1	Confident	82.2	Confident	54 Å²	54	41.2 Å²	41.2	33%	0.327	22%	0.224	S	C	.	.	H	α-helix	trans	-64.1	-39.5	178.2	172.5	0	0	0	0	111.4	S503 E504 Q510 A511	S503-V507 WeakPolarHBondContact O-CG2 3.34Å; S503-V507 PolarHBondContact O-N 2.87Å; E504-V507 PolarHBondContact O-N 2.82Å; E504-V507 VanDerWaalsContact O-N 3.17Å; V507-Q510 PolarHBondContact O-N 3.15Å; V507-A511 PolarHBondContact O-N 3.2Å
508	L	86.2	Confident	83.9	Confident	26 Å²	26	36.2 Å²	36.2	14%	0.136	20%	0.203	C	C	.	.	H	α-helix	trans	-70.1	-38.8	178.5	-65.8	-179.5	0	0	0	112.3	T453 F457 L483 T487 E504 S505 M506 A511 S512	T453-L508 HydrophobicContact CG2-CD1 4.43Å; T453-L508 HydrophobicContact CG2-CD2 4.03Å; T453-L508 HydrophobicContact CG2-CG 4.1Å; F457-L508 HydrophobicContact CB-CD2 4.31Å; L483-L508 HydrophobicContact CD1-CB 3.99Å; L483-L508 HydrophobicContact CD1-CD1 4.06Å; L483-L508 HydrophobicContact CD1-CD2 3.84Å; L483-L508 HydrophobicContact CD1-CG 4.14Å; L483-L508 HydrophobicContact CD2-CB 4.23Å; L483-L508 HydrophobicContact CD2-CD2 4.32Å; L483-L508 VanDerWaalsContact CD2-O 3.28Å; L483-L508 WeakPolarHBondContact CD2-O 3.49Å; L483-L508 HydrophobicContact CG-CB 4.2Å; T487-L508 HydrophobicContact CG2-CB 3.52Å; T487-L508 HydrophobicContact CG2-CD1 4.04Å; T487-L508 HydrophobicContact CG2-CG 4.44Å; E504-L508 WeakPolarHBondContact O-CG 3.39Å; E504-L508 PolarHBondContact O-N 3.42Å; S505-L508 PolarHBondContact O-N 2.75Å; M506-L508 VanDerWaalsContact C-N 3.34Å; M506-L508 PolarHBondContact O-N 2.69Å; L508-A511 PolarHBondContact O-N 2.95Å; L508-S512 PolarHBondContact O-N 2.98Å
509	L	89	Confident	85.1	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.5	-42.2	171.3	-74.1	175.8	0	0	0	111.9	F484 T487 V491 S505 M506 A511 S512 S513 A520 L523 L524 I527	F484-L509 HydrophobicContact CD2-CD2 3.95Å; F484-L509 HydrophobicContact CE2-CD2 4.32Å; T487-L509 WeakPolarHBondContact OG1-CD2 3.14Å; V491-L509 HydrophobicContact CG2-CD1 3.9Å; V491-L509 HydrophobicContact CG2-CG 4.41Å; S505-L509 WeakPolarHBondContact O-CB 3.33Å; S505-L509 WeakPolarHBondContact O-CG 3.33Å; S505-L509 PolarHBondContact O-N 2.81Å; M506-L509 PolarHBondContact O-N 3.5Å; L509-A511 VanDerWaalsContact C-N 3.35Å; L509-A511 PolarHBondContact O-N 3.04Å; L509-S512 PolarHBondContact O-N 2.79Å; L509-S513 WeakPolarHBondContact O-CB 3.46Å; L509-S513 PolarHBondContact O-N 3.23Å; L509-A520 HydrophobicContact CD2-CB 4.15Å; L509-L523 HydrophobicContact CD1-CD2 3.94Å; L509-L523 HydrophobicContact CD1-CG 4.22Å; L509-L523 HydrophobicContact CD2-CD2 3.91Å; L509-L524 HydrophobicContact CB-CD1 4.18Å; L509-L524 HydrophobicContact CB-CD2 3.84Å; L509-L524 HydrophobicContact CB-CG 3.94Å; L509-L524 HydrophobicContact CD1-CD2 4.31Å; L509-I527 HydrophobicContact CD1-CD1 4.06Å
510	Q	90.2	Very high	86.2	Confident	62 Å²	62	33.8 Å²	33.8	29%	0.29	19%	0.189	S	C	.	.	H	α-helix	trans	-61.7	-42.7	175.7	-73.7	178.6	-22.4	0	0	111.5	M506 V507 C514 L524 Y528 Y544	M506-Q510 VanDerWaalsContact O-CG 3.31Å; M506-Q510 WeakPolarHBondContact O-CG 3.31Å; M506-Q510 PolarHBondContact O-N 3.5Å; V507-Q510 PolarHBondContact O-N 3.15Å; Q510-C514 WeakPolarHBondContact O-CB 3.24Å; Q510-C514 PolarHBondContact O-N 3.24Å; Q510-C514 PolarHBondContact O-SG 3.32Å; Q510-L524 HydrophobicContact CB-CD1 4.44Å; Q510-L524 HydrophobicContact CG-CD1 3.86Å; Q510-L524 HydrophobicContact CG-CD2 4.13Å; Q510-Y528 PolarHBondContact NE2-OH 3.22Å; Q510-Y544 PolarHBondContact NE2-OH 3.12Å
511	A	87.7	Confident	87.2	Confident	3 Å²	3	29.6 Å²	29.6	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-46.5	173.3	0	0	0	0	0	112	T396 L454 L483 V507 L508 L509 C514 F515	T396-A511 HydrophobicContact CG2-CB 4.34Å; L454-A511 HydrophobicContact CD1-CB 4.16Å; L483-A511 HydrophobicContact CD2-CB 4.1Å; V507-A511 PolarHBondContact O-N 3.2Å; L508-A511 PolarHBondContact O-N 2.95Å; L509-A511 VanDerWaalsContact C-N 3.35Å; L509-A511 PolarHBondContact O-N 3.04Å; A511-C514 WeakPolarHBondContact O-CA 3.47Å; A511-C514 VanDerWaalsContact O-CB 3.26Å; A511-C514 WeakPolarHBondContact O-CB 3.35Å; A511-C514 PolarHBondContact O-N 3.38Å; A511-C514 VanDerWaalsContact O-N 3.08Å; A511-F515 WeakPolarHBondContact O-CD2 3.43Å; A511-F515 PolarHBondContact O-N 3.38Å; A511-F515 VanDerWaalsContact O-N 3.08Å
512	S	88.1	Confident	87.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-44.6	179.4	-165.6	0	0	0	0	112.2	F480 L508 L509 C514 F515 G516 N517	F480-S512 PolarHBondContact O-OG 2.89Å; L508-S512 PolarHBondContact O-N 2.98Å; L509-S512 PolarHBondContact O-N 2.79Å; S512-C514 PolarHBondContact O-N 2.91Å; S512-F515 PolarHBondContact O-N 3.37Å; S512-G516 PolarHBondContact O-N 2.9Å; S512-N517 WeakPolarHBondContact O-CB 3.32Å; S512-N517 PolarHBondContact O-N 3.45Å; S512-N517 VanDerWaalsContact O-N 3.08Å; S512-N517 WeakPolarHBondContact OG-CB 3.49Å
513	S	90.9	Very high	88.4	Confident	5 Å²	5	27.1 Å²	27.1	4%	0.035	15%	0.154	C	C	.	.	H	α-helix	trans	-53	-43.4	170.6	172.8	0	0	0	0	111.1	L509 F515 G516 N517 S521	L509-S513 WeakPolarHBondContact O-CB 3.46Å; L509-S513 PolarHBondContact O-N 3.23Å; S513-F515 PolarHBondContact O-N 3.24Å; S513-G516 PolarHBondContact O-N 3.01Å; S513-N517 WeakPolarHBondContact CA-O 3.28Å; S513-S521 PolarHBondContact OG-OG 3.49Å
514	C	89.4	Confident	88.9	Confident	16 Å²	16	22.4 Å²	22.4	11%	0.108	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-41.7	178.5	-88.7	0	0	0	0	114.4	C393 K397 Q510 A511 S512 G516	C393-C514 WeakPolarHBondContact CA-SG 3.25Å; C393-C514 HydrophobicContact CB-CB 4.31Å; C393-C514 WeakPolarHBondContact CB-SG 3.45Å; C393-C514 WeakPolarHBondContact SG-CA 3.43Å; C393-C514 WeakPolarHBondContact SG-CB 3.31Å; C393-C514 CovalentContact SG-SG 2.03Å; C393-C514 PolarHBondContact SG-SG 3.27Å; K397-C514 WeakPolarHBondContact CE-O 3.41Å; K397-C514 PolarHBondContact NZ-O 3.32Å; Q510-C514 WeakPolarHBondContact O-CB 3.24Å; Q510-C514 PolarHBondContact O-N 3.24Å; Q510-C514 PolarHBondContact O-SG 3.32Å; A511-C514 WeakPolarHBondContact O-CA 3.47Å; A511-C514 VanDerWaalsContact O-CB 3.26Å; A511-C514 WeakPolarHBondContact O-CB 3.35Å; A511-C514 PolarHBondContact O-N 3.38Å; A511-C514 VanDerWaalsContact O-N 3.08Å; S512-C514 PolarHBondContact O-N 2.91Å; C514-G516 PolarHBondContact O-N 2.97Å; C514-G516 VanDerWaalsContact O-N 3.17Å
515	F	85.8	Confident	89.5	Confident	30 Å²	30	18.4 Å²	18.4	13%	0.132	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	11.6	178.3	-67	-71.3	0	0	0	114.2	T396 K397 A400 F476 F480 A511 S512 S513	T396-F515 HydrophobicContact CG2-CE2 4.34Å; K397-F515 HydrophobicContact CB-CE1 4.47Å; K397-F515 HydrophobicContact CG-CD1 4.39Å; K397-F515 HydrophobicContact CG-CE1 3.78Å; K397-F515 HydrophobicContact CG-CZ 4.12Å; A400-F515 HydrophobicContact CB-CE1 4.35Å; A400-F515 HydrophobicContact CB-CE2 4.32Å; A400-F515 HydrophobicContact CB-CZ 3.58Å; F476-F515 HydrophobicContact CD1-CD1 4.06Å; F476-F515 HydrophobicContact CD1-CE1 4.08Å; F476-F515 HydrophobicContact CE1-CD1 4.44Å; F476-F515 AromaticContact CE1-CE1 4Å; F476-F515 HydrophobicContact CE1-CE1 4Å; F480-F515 HydrophobicContact CB-CB 3.63Å; F480-F515 HydrophobicContact CB-CD2 4.1Å; F480-F515 HydrophobicContact CB-CG 4.07Å; F480-F515 AromaticContact CD1-CD2 3.5Å; F480-F515 HydrophobicContact CD1-CD2 3.5Å; F480-F515 VanDerWaalsContact CD1-CD2 3.5Å; F480-F515 AromaticContact CD1-CE2 3.98Å; F480-F515 HydrophobicContact CD1-CE2 3.98Å; F480-F515 HydrophobicContact CD1-CG 4.18Å; F480-F515 HydrophobicContact CD2-CB 3.77Å; F480-F515 AromaticContact CD2-CD1 3.78Å; F480-F515 HydrophobicContact CD2-CD1 3.78Å; F480-F515 AromaticContact CD2-CD2 3.51Å; F480-F515 HydrophobicContact CD2-CD2 3.51Å; F480-F515 HydrophobicContact CD2-CE1 4.33Å; F480-F515 HydrophobicContact CD2-CE2 4.11Å; F480-F515 AromaticContact CD2-CG 3.37Å; F480-F515 HydrophobicContact CD2-CG 3.37Å; F480-F515 HydrophobicContact CD2-CZ 4.5Å; F480-F515 AromaticContact CE1-CD2 3.69Å; F480-F515 HydrophobicContact CE1-CD2 3.69Å; F480-F515 AromaticContact CE1-CE2 3.66Å; F480-F515 HydrophobicContact CE1-CE2 3.66Å; F480-F515 HydrophobicContact CE1-CZ 4.44Å; F480-F515 AromaticContact CE2-CD1 3.87Å; F480-F515 HydrophobicContact CE2-CD1 3.87Å; F480-F515 AromaticContact CE2-CD2 3.72Å; F480-F515 HydrophobicContact CE2-CD2 3.72Å; F480-F515 AromaticContact CE2-CE1 3.93Å; F480-F515 HydrophobicContact CE2-CE1 3.93Å; F480-F515 AromaticContact CE2-CE2 3.81Å; F480-F515 HydrophobicContact CE2-CE2 3.81Å; F480-F515 AromaticContact CE2-CG 3.79Å; F480-F515 HydrophobicContact CE2-CG 3.79Å; F480-F515 AromaticContact CE2-CZ 3.94Å; F480-F515 HydrophobicContact CE2-CZ 3.94Å; F480-F515 HydrophobicContact CG-CB 3.76Å; F480-F515 HydrophobicContact CG-CD1 4.45Å; F480-F515 AromaticContact CG-CD2 3.41Å; F480-F515 HydrophobicContact CG-CD2 3.41Å; F480-F515 VanDerWaalsContact CG-CD2 3.41Å; F480-F515 HydrophobicContact CG-CE2 4.2Å; F480-F515 AromaticContact CG-CG 3.6Å; F480-F515 HydrophobicContact CG-CG 3.6Å; F480-F515 AromaticContact CZ-CD2 3.79Å; F480-F515 HydrophobicContact CZ-CD2 3.79Å; F480-F515 HydrophobicContact CZ-CE1 4.36Å; F480-F515 AromaticContact CZ-CE2 3.56Å; F480-F515 HydrophobicContact CZ-CE2 3.56Å; F480-F515 HydrophobicContact CZ-CG 4.34Å; F480-F515 AromaticContact CZ-CZ 3.9Å; F480-F515 HydrophobicContact CZ-CZ 3.9Å; A511-F515 WeakPolarHBondContact O-CD2 3.43Å; A511-F515 PolarHBondContact O-N 3.38Å; A511-F515 VanDerWaalsContact O-N 3.08Å; S512-F515 PolarHBondContact O-N 3.37Å; S513-F515 PolarHBondContact O-N 3.24Å
516	G	83.6	Confident	89.9	Confident	40 Å²	40	18 Å²	18	41%	0.412	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	12.1	172.3	0	0	0	0	0	114.4	S512 S513 C514 H518	S512-G516 PolarHBondContact O-N 2.9Å; S513-G516 PolarHBondContact O-N 3.01Å; C514-G516 PolarHBondContact O-N 2.97Å; C514-G516 VanDerWaalsContact O-N 3.17Å; G516-H518 PolarHBondContact O-CD2 2.82Å; G516-H518 VanDerWaalsContact O-CD2 3.25Å; G516-H518 PolarHBondContact O-N 2.77Å
517	N	88.3	Confident	90	Very high	31 Å²	31	17.5 Å²	17.5	17%	0.166	10%	0.098	C	C	.	.			trans	-83.6	88.5	168.7	-168.8	-13	0	0	0	110.2	F484 S512 S513 R519 A520 S521	F484-N517 WeakPolarHBondContact CB-ND2 3.38Å; F484-N517 WeakPolarHBondContact CG-ND2 3.42Å; S512-N517 WeakPolarHBondContact O-CB 3.32Å; S512-N517 PolarHBondContact O-N 3.45Å; S512-N517 VanDerWaalsContact O-N 3.08Å; S512-N517 WeakPolarHBondContact OG-CB 3.49Å; S513-N517 WeakPolarHBondContact CA-O 3.28Å; N517-R519 PolarHBondContact O-N 3Å; N517-R519 WeakPolarHBondContact OD1-CB 3.3Å; N517-R519 PolarHBondContact OD1-N 3.35Å; N517-A520 HydrophobicContact CB-CB 4.48Å; N517-A520 VanDerWaalsContact O-CB 3.27Å; N517-A520 WeakPolarHBondContact O-CB 3.46Å; N517-A520 PolarHBondContact O-N 2.95Å; N517-S521 PolarHBondContact O-N 3.32Å
518	H	91.2	Very high	90.3	Very high	41 Å²	41	15.5 Å²	15.5	19%	0.19	8%	0.084	C	C	.	.	H	α-helix	trans	-70.9	-13.5	-176	-64.6	-58.3	0	0	0	114.3	G516 A520 S521 L522 G551 D553	G516-H518 PolarHBondContact O-CD2 2.82Å; G516-H518 VanDerWaalsContact O-CD2 3.25Å; G516-H518 PolarHBondContact O-N 2.77Å; H518-A520 VanDerWaalsContact C-N 3.31Å; H518-S521 WeakPolarHBondContact O-CB 3.49Å; H518-S521 PolarHBondContact O-N 3.17Å; H518-L522 PolarHBondContact O-N 3.38Å; H518-G551 WeakPolarHBondContact NE2-CA 3.33Å; H518-D553 HydrophobicContact CB-CB 3.39Å
519	R	88.4	Confident	90.6	Very high	55 Å²	55	15 Å²	15	21%	0.208	8%	0.082	C	C	.	.	H	α-helix	trans	-65.1	-35.8	165.6	-58.4	-178.8	176.6	-168.6	-6.6	111.7	F484 N517 S521 L522 L523 F555	F484-R519 HydrophobicContact CE1-CB 4.19Å; F484-R519 HydrophobicContact CE2-CB 4.19Å; F484-R519 HydrophobicContact CZ-CB 3.84Å; N517-R519 PolarHBondContact O-N 3Å; N517-R519 WeakPolarHBondContact OD1-CB 3.3Å; N517-R519 PolarHBondContact OD1-N 3.35Å; R519-S521 VanDerWaalsContact C-N 3.35Å; R519-L522 PolarHBondContact O-N 3.4Å; R519-L523 PolarHBondContact O-N 3.38Å; R519-F555 HydrophobicContact CG-CD2 4.33Å
520	A	91.1	Very high	90.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-68.2	-35.6	172.1	0	0	0	0	0	111.3	F484 L509 N517 H518 L523 L524	F484-A520 HydrophobicContact CD2-CB 3.74Å; F484-A520 HydrophobicContact CE2-CB 4.21Å; L509-A520 HydrophobicContact CD2-CB 4.15Å; N517-A520 HydrophobicContact CB-CB 4.48Å; N517-A520 VanDerWaalsContact O-CB 3.27Å; N517-A520 WeakPolarHBondContact O-CB 3.46Å; N517-A520 PolarHBondContact O-N 2.95Å; H518-A520 VanDerWaalsContact C-N 3.31Å; A520-L523 PolarHBondContact O-N 2.81Å; A520-L524 WeakPolarHBondContact O-CB 3.35Å; A520-L524 WeakPolarHBondContact O-CG 3.46Å; A520-L524 PolarHBondContact O-N 3.26Å
521	S	94.1	Very high	90.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-45	171.1	-44.6	0	0	0	0	111.5	S513 N517 H518 R519 L524 A525	S513-S521 PolarHBondContact OG-OG 3.49Å; N517-S521 PolarHBondContact O-N 3.32Å; H518-S521 WeakPolarHBondContact O-CB 3.49Å; H518-S521 PolarHBondContact O-N 3.17Å; R519-S521 VanDerWaalsContact C-N 3.35Å; S521-L524 PolarHBondContact O-N 2.91Å; S521-A525 WeakPolarHBondContact O-CB 3.42Å; S521-A525 PolarHBondContact O-N 3.47Å
522	L	95.1	Very high	89.8	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-64.6	-40.6	175.8	179.5	60	0	0	0	112.3	H518 R519 A525 T526 F555 H559 L848	H518-L522 PolarHBondContact O-N 3.38Å; R519-L522 PolarHBondContact O-N 3.4Å; L522-A525 PolarHBondContact O-N 2.95Å; L522-T526 WeakPolarHBondContact O-CB 3.42Å; L522-T526 PolarHBondContact O-N 3.18Å; L522-T526 PolarHBondContact O-OG1 2.87Å; L522-F555 HydrophobicContact CD2-CB 3.52Å; L522-H559 HydrophobicContact CD1-CB 3.65Å; L522-H559 VanDerWaalsContact CD1-CG 3.5Å; L522-L848 HydrophobicContact CB-CD2 4.15Å; L522-L848 HydrophobicContact CD2-CD2 3.92Å; L522-L848 HydrophobicContact CG-CD2 3.76Å
523	L	92.8	Very high	89.2	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-62.8	-47.1	176.9	-172	52.5	0	0	0	111.3	F484 L509 R519 A520 A525 T526 I527 V844 L848	F484-L523 HydrophobicContact CE2-CD2 4.07Å; L509-L523 HydrophobicContact CD1-CD2 3.94Å; L509-L523 HydrophobicContact CD1-CG 4.22Å; L509-L523 HydrophobicContact CD2-CD2 3.91Å; R519-L523 PolarHBondContact O-N 3.38Å; A520-L523 PolarHBondContact O-N 2.81Å; L523-A525 PolarHBondContact O-N 2.94Å; L523-T526 WeakPolarHBondContact O-CB 3.45Å; L523-T526 PolarHBondContact O-N 3.22Å; L523-I527 HydrophobicContact CD1-CD1 4.22Å; L523-I527 HydrophobicContact CD1-CG1 4.42Å; L523-I527 HydrophobicContact CG-CD1 3.91Å; L523-I527 WeakPolarHBondContact O-CD1 3.47Å; L523-I527 VanDerWaalsContact O-CG1 3.26Å; L523-I527 WeakPolarHBondContact O-CG1 3.39Å; L523-I527 PolarHBondContact O-N 3.12Å; L523-V844 HydrophobicContact CD1-CG1 4.09Å; L523-V844 HydrophobicContact CD2-CG1 3.93Å; L523-L848 HydrophobicContact CB-CD2 3.99Å; L523-L848 HydrophobicContact CD1-CD2 4.28Å; L523-L848 HydrophobicContact CD1-CG 4.49Å
524	L	93.2	Very high	88.8	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-46.2	174.4	-73.9	167.4	0	0	0	112	M506 L509 Q510 A520 S521 T526 I527 Y528 Y544	M506-L524 HydrophobicContact CE-CD2 3.87Å; M506-L524 HydrophobicContact SD-CD2 4.16Å; L509-L524 HydrophobicContact CB-CD1 4.18Å; L509-L524 HydrophobicContact CB-CD2 3.84Å; L509-L524 HydrophobicContact CB-CG 3.94Å; L509-L524 HydrophobicContact CD1-CD2 4.31Å; Q510-L524 HydrophobicContact CB-CD1 4.44Å; Q510-L524 HydrophobicContact CG-CD1 3.86Å; Q510-L524 HydrophobicContact CG-CD2 4.13Å; A520-L524 WeakPolarHBondContact O-CB 3.35Å; A520-L524 WeakPolarHBondContact O-CG 3.46Å; A520-L524 PolarHBondContact O-N 3.26Å; S521-L524 PolarHBondContact O-N 2.91Å; L524-T526 VanDerWaalsContact C-N 3.28Å; L524-T526 PolarHBondContact O-N 3.19Å; L524-I527 PolarHBondContact O-N 3.33Å; L524-Y528 HydrophobicContact CB-CD2 4.46Å; L524-Y528 HydrophobicContact CB-CE2 4.41Å; L524-Y528 HydrophobicContact CD2-CE2 4.26Å; L524-Y528 WeakPolarHBondContact O-CD2 3.48Å; L524-Y528 PolarHBondContact O-N 3.01Å; L524-Y544 HydrophobicContact CB-CD1 4.18Å; L524-Y544 HydrophobicContact CB-CD2 4.14Å; L524-Y544 HydrophobicContact CB-CG 3.9Å; L524-Y544 HydrophobicContact CD1-CD1 3.84Å; L524-Y544 HydrophobicContact CD1-CE1 3.7Å; L524-Y544 HydrophobicContact CD1-CG 4.35Å
525	A	95.3	Very high	88.6	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.9	-46.4	176	0	0	0	0	0	111.1	S521 L522 L523 Y528 L529 G541	S521-A525 WeakPolarHBondContact O-CB 3.42Å; S521-A525 PolarHBondContact O-N 3.47Å; L522-A525 PolarHBondContact O-N 2.95Å; L523-A525 PolarHBondContact O-N 2.94Å; A525-Y528 PolarHBondContact O-N 2.95Å; A525-L529 WeakPolarHBondContact O-CB 3.47Å; A525-L529 WeakPolarHBondContact O-CG 3.29Å; A525-L529 PolarHBondContact O-N 2.77Å; A525-G541 WeakPolarHBondContact CB-O 3.43Å
526	T	92.8	Very high	88.8	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-48.4	178.8	-55.7	0	0	0	0	111.9	L522 L523 L524 Y528 L529 S530 I847 E851	L522-T526 WeakPolarHBondContact O-CB 3.42Å; L522-T526 PolarHBondContact O-N 3.18Å; L522-T526 PolarHBondContact O-OG1 2.87Å; L523-T526 WeakPolarHBondContact O-CB 3.45Å; L523-T526 PolarHBondContact O-N 3.22Å; L524-T526 VanDerWaalsContact C-N 3.28Å; L524-T526 PolarHBondContact O-N 3.19Å; T526-Y528 VanDerWaalsContact C-N 3.34Å; T526-Y528 PolarHBondContact O-N 2.79Å; T526-L529 PolarHBondContact O-N 2.89Å; T526-S530 WeakPolarHBondContact O-CB 3.47Å; T526-S530 PolarHBondContact O-N 2.91Å; T526-S530 PolarHBondContact O-OG 3.17Å; T526-I847 HydrophobicContact CG2-CG2 3.56Å; T526-E851 HydrophobicContact CG2-CG 3.61Å
527	I	90.8	Very high	89.3	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-55.3	-50.4	177.9	-69.9	161.3	0	0	0	110.2	I501 M506 L509 L523 L524 G531 H534	I501-I527 HydrophobicContact CD1-CB 4.28Å; I501-I527 HydrophobicContact CD1-CD1 3.58Å; I501-I527 HydrophobicContact CD1-CG1 3.61Å; I501-I527 HydrophobicContact CD1-CG2 3.65Å; M506-I527 HydrophobicContact CE-CG2 4.11Å; M506-I527 HydrophobicContact SD-CD1 4.14Å; M506-I527 HydrophobicContact SD-CG2 4.16Å; L509-I527 HydrophobicContact CD1-CD1 4.06Å; L523-I527 HydrophobicContact CD1-CD1 4.22Å; L523-I527 HydrophobicContact CD1-CG1 4.42Å; L523-I527 HydrophobicContact CG-CD1 3.91Å; L523-I527 WeakPolarHBondContact O-CD1 3.47Å; L523-I527 VanDerWaalsContact O-CG1 3.26Å; L523-I527 WeakPolarHBondContact O-CG1 3.39Å; L523-I527 PolarHBondContact O-N 3.12Å; L524-I527 PolarHBondContact O-N 3.33Å; I527-G531 PolarHBondContact O-N 2.98Å; I527-H534 HydrophobicContact CG2-CB 3.67Å
528	Y	93.2	Very high	89.5	Confident	11 Å²	11	28.6 Å²	28.6	4%	0.043	16%	0.161	C	C	.	.	H	α-helix	trans	-68.6	-35.5	-179.5	-72.5	-55	0	0	0	113.7	M506 Q510 L524 A525 T526 H534 A536 D537 K540 Y544	M506-Y528 HydrophobicContact CE-CE1 3.85Å; M506-Y528 HydrophobicContact CE-CE2 4.05Å; M506-Y528 WeakPolarHBondContact CE-OH 3.18Å; Q510-Y528 PolarHBondContact NE2-OH 3.22Å; L524-Y528 HydrophobicContact CB-CD2 4.46Å; L524-Y528 HydrophobicContact CB-CE2 4.41Å; L524-Y528 HydrophobicContact CD2-CE2 4.26Å; L524-Y528 WeakPolarHBondContact O-CD2 3.48Å; L524-Y528 PolarHBondContact O-N 3.01Å; A525-Y528 PolarHBondContact O-N 2.95Å; T526-Y528 VanDerWaalsContact C-N 3.34Å; T526-Y528 PolarHBondContact O-N 2.79Å; Y528-H534 AromaticContact CD1-ND1 3.94Å; Y528-H534 AromaticContact CE1-CE1 3.55Å; Y528-H534 AromaticContact CE1-ND1 3.82Å; Y528-A536 CarbonylContact O-C 3.53Å; Y528-A536 VanDerWaalsContact O-CA 3.31Å; Y528-A536 WeakPolarHBondContact O-CA 3.46Å; Y528-D537 WeakPolarHBondContact CB-O 3.32Å; Y528-D537 HydrophobicContact CD1-CB 3.88Å; Y528-D537 HydrophobicContact CG-CB 4.48Å; Y528-D537 PolarHBondContact O-N 2.9Å; Y528-K540 HydrophobicContact CD1-CB 4.11Å; Y528-K540 HydrophobicContact CD1-CD 4.26Å; Y528-K540 HydrophobicContact CD2-CB 3.68Å; Y528-K540 HydrophobicContact CE1-CB 4.36Å; Y528-K540 HydrophobicContact CE1-CD 3.74Å; Y528-K540 HydrophobicContact CE2-CB 3.96Å; Y528-K540 HydrophobicContact CE2-CD 4.06Å; Y528-K540 HydrophobicContact CG-CB 3.77Å; Y528-Y544 AromaticContact CD2-CD2 3.85Å; Y528-Y544 HydrophobicContact CD2-CD2 3.85Å; Y528-Y544 HydrophobicContact CD2-CE2 4.22Å; Y528-Y544 AromaticContact CE2-CD2 3.74Å; Y528-Y544 HydrophobicContact CE2-CD2 3.74Å; Y528-Y544 AromaticContact CE2-CE2 3.63Å; Y528-Y544 HydrophobicContact CE2-CE2 3.63Å
529	L	92.6	Very high	89.6	Confident	17 Å²	17	30 Å²	30	9%	0.089	17%	0.168	C	C	.	.	H	α-helix	trans	-77	-34.4	178.1	-69.2	170.3	0	0	0	113.3	A525 T526 R538 D569 F571	A525-L529 WeakPolarHBondContact O-CB 3.47Å; A525-L529 WeakPolarHBondContact O-CG 3.29Å; A525-L529 PolarHBondContact O-N 2.77Å; T526-L529 PolarHBondContact O-N 2.89Å; L529-R538 HydrophobicContact CD2-CG 4.46Å; L529-D569 HydrophobicContact CB-CB 4.43Å; L529-D569 HydrophobicContact CD1-CB 4.32Å; L529-D569 HydrophobicContact CD2-CB 3.86Å; L529-D569 HydrophobicContact CG-CB 4.41Å; L529-F571 HydrophobicContact CD1-CE2 4.11Å
530	S	87	Confident	89.9	Confident	23 Å²	23	30 Å²	30	16%	0.161	17%	0.169	C	C	.	.	H	α-helix	trans	-90.3	-26.3	-174.7	63.7	0	0	0	0	114	T526 L532	T526-S530 WeakPolarHBondContact O-CB 3.47Å; T526-S530 PolarHBondContact O-N 2.91Å; T526-S530 PolarHBondContact O-OG 3.17Å; S530-L532 VanDerWaalsContact C-N 3.29Å; S530-L532 WeakPolarHBondContact OG-CB 3.32Å; S530-L532 WeakPolarHBondContact OG-CD1 3.42Å; S530-L532 WeakPolarHBondContact OG-CG 3.25Å; S530-L532 PolarHBondContact OG-N 3.41Å
531	G	84.1	Confident	90.1	Very high	22 Å²	22	30 Å²	30	23%	0.227	17%	0.169	C	C	.	.			trans	75.5	14.2	-171.7	0	0	0	0	0	114.3	I527 G533 H534	I527-G531 PolarHBondContact O-N 2.98Å; G531-G533 PolarHBondContact O-N 3.34Å; G531-H534 CarbonylContact C-O 3.58Å; G531-H534 WeakPolarHBondContact CA-O 3.46Å; G531-H534 VanDerWaalsContact O-O 3.05Å
532	L	78.3	Confident	90.2	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	17%	0.17	C	C	.	.	S	Bend	trans	-68.4	103.4	-178.3	-70.4	169.7	0	0	0	111.1	I501 S530 H534 I847 V880 C884 Y888	I501-L532 WeakPolarHBondContact CD1-O 3.44Å; S530-L532 VanDerWaalsContact C-N 3.29Å; S530-L532 WeakPolarHBondContact OG-CB 3.32Å; S530-L532 WeakPolarHBondContact OG-CD1 3.42Å; S530-L532 WeakPolarHBondContact OG-CG 3.25Å; S530-L532 PolarHBondContact OG-N 3.41Å; L532-H534 PolarHBondContact O-N 3.47Å; L532-H534 VanDerWaalsContact O-N 3.14Å; L532-I847 HydrophobicContact CD1-CD1 3.94Å; L532-V880 HydrophobicContact CD2-CG1 4.15Å; L532-C884 HydrophobicContact CD2-CB 3.61Å; L532-Y888 HydrophobicContact CD1-CE2 4.24Å
533	G	74.6	Confident	90.3	Very high	16 Å²	16	30.1 Å²	30.1	17%	0.165	17%	0.17	C	C	.	.	S	Bend	trans	66.6	9.6	176.5	0	0	0	0	0	115.8	I499 I501 G531	I499-G533 WeakPolarHBondContact O-CA 3.34Å; I501-G533 PolarHBondContact N-O 3.02Å; I501-G533 VanDerWaalsContact N-O 3.09Å; G531-G533 PolarHBondContact O-N 3.34Å
534	H	83.4	Confident	90.4	Very high	61 Å²	61	31.1 Å²	31.1	28%	0.282	17%	0.173	S	C	.	.	S	Bend	trans	-150	145.5	174.4	-176.2	-76.7	0	0	0	108.4	I527 Y528 G531 L532 A536	I527-H534 HydrophobicContact CG2-CB 3.67Å; Y528-H534 AromaticContact CD1-ND1 3.94Å; Y528-H534 AromaticContact CE1-CE1 3.55Å; Y528-H534 AromaticContact CE1-ND1 3.82Å; G531-H534 CarbonylContact C-O 3.58Å; G531-H534 WeakPolarHBondContact CA-O 3.46Å; G531-H534 VanDerWaalsContact O-O 3.05Å; L532-H534 PolarHBondContact O-N 3.47Å; L532-H534 VanDerWaalsContact O-N 3.14Å; H534-A536 PolarHBondContact O-N 3.37Å
535	P	86	Confident	90.6	Very high	99 Å²	99	31.1 Å²	31.1	64%	0.643	17%	0.173	S	C	*	.			trans	-51.3	135	174.2	-28.5	35.4	0	0	0	113.3
536	A	88.8	Confident	90.7	Very high	74 Å²	74	31.1 Å²	31.1	61%	0.612	17%	0.174	S	C	*	.			trans	-66.7	133.3	177.7	0	0	0	0	0	111.4	Y528 H534	Y528-A536 CarbonylContact O-C 3.53Å; Y528-A536 VanDerWaalsContact O-CA 3.31Å; Y528-A536 WeakPolarHBondContact O-CA 3.46Å; H534-A536 PolarHBondContact O-N 3.37Å
537	D	93.6	Very high	90.8	Very high	40 Å²	40	31.9 Å²	31.9	21%	0.214	18%	0.178	C	C	.	.			trans	-141.1	97.2	-178.2	-174.7	-42	0	0	0	108	Y528 E539 K540 G541	Y528-D537 WeakPolarHBondContact CB-O 3.32Å; Y528-D537 HydrophobicContact CD1-CB 3.88Å; Y528-D537 HydrophobicContact CG-CB 4.48Å; Y528-D537 PolarHBondContact O-N 2.9Å; D537-E539 VanDerWaalsContact C-N 3.33Å; D537-E539 PolarHBondContact O-N 3.45Å; D537-E539 PolarHBondContact OD1-N 3.24Å; D537-K540 HydrophobicContact CB-CB 4.22Å; D537-K540 PolarHBondContact O-N 2.86Å; D537-K540 WeakPolarHBondContact OD1-CB 3.49Å; D537-K540 WeakPolarHBondContact OD1-CG 3.35Å; D537-K540 PolarHBondContact OD1-N 2.59Å; D537-K540 WeakPolarHBondContact OD2-CD 3.25Å; D537-K540 IonicContact OD2-NZ 2.69Å; D537-K540 PolarHBondContact OD2-NZ 2.99Å; D537-G541 PolarHBondContact O-N 2.98Å
538	R	93.4	Very high	91	Very high	131 Å²	131	31.8 Å²	31.8	49%	0.494	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-37.9	-171.9	179.4	173.9	162.7	-152.8	-9.3	111.7	L529 G541 H542 D569 G570	L529-R538 HydrophobicContact CD2-CG 4.46Å; R538-G541 PolarHBondContact O-N 2.99Å; R538-H542 PolarHBondContact NE-CE1 3.44Å; R538-H542 WeakPolarHBondContact O-CB 3.4Å; R538-H542 PolarHBondContact O-CD2 2.8Å; R538-H542 VanDerWaalsContact O-CD2 3.32Å; R538-H542 PolarHBondContact O-N 3.43Å; R538-D569 PolarHBondContact NE-O 3.49Å; R538-G570 VanDerWaalsContact NH2-CA 3.32Å; R538-G570 PolarHBondContact NH2-O 3.29Å
539	E	94.1	Very high	91.2	Very high	70 Å²	70	31.3 Å²	31.3	33%	0.327	18%	0.175	S	C	.	.	H	α-helix	trans	-59.6	-50.9	177.2	-77	63.5	-158.2	0	0	112.1	S381 E385 D537 H542 A543	S381-E539 WeakPolarHBondContact OG-CG 3.3Å; S381-E539 PolarHBondContact OG-OE1 2.81Å; E385-E539 HydrophobicContact CB-CB 4.34Å; E385-E539 HydrophobicContact CG-CB 4.44Å; D537-E539 VanDerWaalsContact C-N 3.33Å; D537-E539 PolarHBondContact O-N 3.45Å; D537-E539 PolarHBondContact OD1-N 3.24Å; E539-H542 PolarHBondContact O-N 3.34Å; E539-A543 WeakPolarHBondContact O-CB 3.42Å; E539-A543 PolarHBondContact O-N 3.14Å
540	K	94.2	Very high	91.3	Very high	57 Å²	57	31 Å²	31	25%	0.248	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-41	174.9	-72.1	-171.3	-173.2	85.9	0	111.6	E385 Y528 D537 H542 A543 Y544	E385-K540 HydrophobicContact CG-CB 4.47Å; E385-K540 HydrophobicContact CG-CG 3.7Å; E385-K540 VanDerWaalsContact OE1-CE 3.25Å; E385-K540 WeakPolarHBondContact OE1-CE 3.27Å; E385-K540 WeakPolarHBondContact OE1-CG 3.33Å; Y528-K540 HydrophobicContact CD1-CB 4.11Å; Y528-K540 HydrophobicContact CD1-CD 4.26Å; Y528-K540 HydrophobicContact CD2-CB 3.68Å; Y528-K540 HydrophobicContact CE1-CB 4.36Å; Y528-K540 HydrophobicContact CE1-CD 3.74Å; Y528-K540 HydrophobicContact CE2-CB 3.96Å; Y528-K540 HydrophobicContact CE2-CD 4.06Å; Y528-K540 HydrophobicContact CG-CB 3.77Å; D537-K540 HydrophobicContact CB-CB 4.22Å; D537-K540 PolarHBondContact O-N 2.86Å; D537-K540 WeakPolarHBondContact OD1-CB 3.49Å; D537-K540 WeakPolarHBondContact OD1-CG 3.35Å; D537-K540 PolarHBondContact OD1-N 2.59Å; D537-K540 WeakPolarHBondContact OD2-CD 3.25Å; D537-K540 IonicContact OD2-NZ 2.69Å; D537-K540 PolarHBondContact OD2-NZ 2.99Å; K540-H542 VanDerWaalsContact C-N 3.34Å; K540-H542 PolarHBondContact O-N 3.24Å; K540-A543 PolarHBondContact O-N 3.09Å; K540-Y544 HydrophobicContact CB-CD2 4.46Å; K540-Y544 VanDerWaalsContact O-CD2 3.3Å; K540-Y544 WeakPolarHBondContact O-CD2 3.44Å; K540-Y544 PolarHBondContact O-N 3.37Å
541	G	95.3	Very high	91.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.3	-48.1	175.5	0	0	0	0	0	112.6	A525 D537 R538 S545	A525-G541 WeakPolarHBondContact CB-O 3.43Å; D537-G541 PolarHBondContact O-N 2.98Å; R538-G541 PolarHBondContact O-N 2.99Å; G541-S545 VanDerWaalsContact O-CB 3.23Å; G541-S545 WeakPolarHBondContact O-CB 3.46Å; G541-S545 PolarHBondContact O-N 2.85Å
542	H	96.1	Very high	92	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-45	173.8	-70.4	-174	0	0	0	112.3	F200 T382 R538 E539 K540 S545 L546 D569 F571	F200-H542 AromaticContact CE2-CE1 3.76Å; F200-H542 AromaticContact CE2-ND1 3.4Å; F200-H542 WeakPolarHBondContact CE2-ND1 3.08Å; F200-H542 HydrophobicContact CZ-CB 4.14Å; F200-H542 AromaticContact CZ-CG 3.89Å; F200-H542 AromaticContact CZ-ND1 3.61Å; T382-H542 HydrophobicContact CG2-CB 3.53Å; R538-H542 PolarHBondContact NE-CE1 3.44Å; R538-H542 WeakPolarHBondContact O-CB 3.4Å; R538-H542 PolarHBondContact O-CD2 2.8Å; R538-H542 VanDerWaalsContact O-CD2 3.32Å; R538-H542 PolarHBondContact O-N 3.43Å; E539-H542 PolarHBondContact O-N 3.34Å; K540-H542 VanDerWaalsContact C-N 3.34Å; K540-H542 PolarHBondContact O-N 3.24Å; H542-S545 PolarHBondContact O-N 2.68Å; H542-L546 WeakPolarHBondContact O-CB 3.49Å; H542-L546 VanDerWaalsContact O-CG 3.29Å; H542-L546 WeakPolarHBondContact O-CG 3.33Å; H542-L546 PolarHBondContact O-N 2.93Å; H542-D569 PolarHBondContact NE2-O 2.94Å; H542-F571 AromaticContact CD2-CD2 3.92Å; H542-F571 AromaticContact CD2-CE2 3.34Å; H542-F571 WeakPolarHBondContact CD2-CE2 3.32Å; H542-F571 AromaticContact CD2-CZ 3.58Å; H542-F571 AromaticContact NE2-CD2 3.63Å; H542-F571 AromaticContact NE2-CE2 3.56Å
543	A	96.1	Very high	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-48.7	179.8	0	0	0	0	0	112.3	E385 L386 E539 K540 L546 I547	E385-A543 HydrophobicContact CB-CB 4.4Å; E385-A543 HydrophobicContact CG-CB 4.28Å; L386-A543 HydrophobicContact CB-CB 4.32Å; L386-A543 HydrophobicContact CD1-CB 4.32Å; E539-A543 WeakPolarHBondContact O-CB 3.42Å; E539-A543 PolarHBondContact O-N 3.14Å; K540-A543 PolarHBondContact O-N 3.09Å; A543-L546 PolarHBondContact O-N 3.34Å; A543-I547 VanDerWaalsContact O-CG1 3.24Å; A543-I547 WeakPolarHBondContact O-CG1 3.4Å; A543-I547 PolarHBondContact O-N 2.69Å
544	Y	96.4	Very high	93.5	Very high	22 Å²	22	35.8 Å²	35.8	9%	0.086	19%	0.192	C	C	.	.	H	α-helix	trans	-69.3	-32.9	178.7	-77.3	-70.1	0	0	0	113.2	Q510 L524 Y528 K540 I547 G548	Q510-Y544 PolarHBondContact NE2-OH 3.12Å; L524-Y544 HydrophobicContact CB-CD1 4.18Å; L524-Y544 HydrophobicContact CB-CD2 4.14Å; L524-Y544 HydrophobicContact CB-CG 3.9Å; L524-Y544 HydrophobicContact CD1-CD1 3.84Å; L524-Y544 HydrophobicContact CD1-CE1 3.7Å; L524-Y544 HydrophobicContact CD1-CG 4.35Å; Y528-Y544 AromaticContact CD2-CD2 3.85Å; Y528-Y544 HydrophobicContact CD2-CD2 3.85Å; Y528-Y544 HydrophobicContact CD2-CE2 4.22Å; Y528-Y544 AromaticContact CE2-CD2 3.74Å; Y528-Y544 HydrophobicContact CE2-CD2 3.74Å; Y528-Y544 AromaticContact CE2-CE2 3.63Å; Y528-Y544 HydrophobicContact CE2-CE2 3.63Å; K540-Y544 HydrophobicContact CB-CD2 4.46Å; K540-Y544 VanDerWaalsContact O-CD2 3.3Å; K540-Y544 WeakPolarHBondContact O-CD2 3.44Å; K540-Y544 PolarHBondContact O-N 3.37Å; Y544-I547 HydrophobicContact CD1-CD1 4.19Å; Y544-I547 HydrophobicContact CE1-CD1 4.42Å; Y544-I547 PolarHBondContact O-N 2.81Å; Y544-G548 PolarHBondContact O-N 3.05Å
545	S	96.8	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-48.3	172.1	-174.8	0	0	0	0	110.9	G541 H542 G548 A549 H559	G541-S545 VanDerWaalsContact O-CB 3.23Å; G541-S545 WeakPolarHBondContact O-CB 3.46Å; G541-S545 PolarHBondContact O-N 2.85Å; H542-S545 PolarHBondContact O-N 2.68Å; S545-G548 PolarHBondContact O-N 2.92Å; S545-A549 WeakPolarHBondContact O-CB 3.44Å; S545-A549 PolarHBondContact O-N 3.2Å; S545-H559 PolarHBondContact OG-CD2 2.91Å; S545-H559 PolarHBondContact OG-NE2 2.83Å
546	L	96.6	Very high	94.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-37.7	175.3	-68.9	168.1	0	0	0	112.8	F200 P201 A203 Y359 T382 L386 H542 A543 A549 A550	F200-L546 HydrophobicContact CE1-CD1 4.36Å; F200-L546 HydrophobicContact CE1-CD2 4.35Å; P201-L546 HydrophobicContact CB-CD1 3.89Å; P201-L546 HydrophobicContact CG-CD1 4.46Å; P201-L546 WeakPolarHBondContact O-CD2 3.34Å; A203-L546 HydrophobicContact CB-CD2 3.94Å; Y359-L546 HydrophobicContact CD1-CB 4.29Å; Y359-L546 HydrophobicContact CE1-CB 3.87Å; Y359-L546 WeakPolarHBondContact CE1-O 3.27Å; T382-L546 HydrophobicContact CG2-CD1 4.33Å; L386-L546 HydrophobicContact CD1-CB 4.44Å; L386-L546 HydrophobicContact CD2-CD1 4.46Å; H542-L546 WeakPolarHBondContact O-CB 3.49Å; H542-L546 VanDerWaalsContact O-CG 3.29Å; H542-L546 WeakPolarHBondContact O-CG 3.33Å; H542-L546 PolarHBondContact O-N 2.93Å; A543-L546 PolarHBondContact O-N 3.34Å; L546-A549 PolarHBondContact O-N 3.39Å; L546-A550 WeakPolarHBondContact O-CB 3.44Å; L546-A550 PolarHBondContact O-N 3.06Å
547	I	96	Very high	94.8	Very high	17 Å²	17	24.9 Å²	24.9	9%	0.087	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-42.8	175.5	-71.5	163.7	0	0	0	111.5	L386 A389 A543 Y544 G551	L386-I547 HydrophobicContact CD1-CD1 4.04Å; L386-I547 HydrophobicContact CD1-CG1 3.7Å; A389-I547 HydrophobicContact CB-CD1 3.84Å; A543-I547 VanDerWaalsContact O-CG1 3.24Å; A543-I547 WeakPolarHBondContact O-CG1 3.4Å; A543-I547 PolarHBondContact O-N 2.69Å; Y544-I547 HydrophobicContact CD1-CD1 4.19Å; Y544-I547 HydrophobicContact CE1-CD1 4.42Å; Y544-I547 PolarHBondContact O-N 2.81Å; I547-G551 PolarHBondContact O-N 3.33Å
548	G	95.5	Very high	94.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.4	-47.7	174.4	0	0	0	0	0	111.9	Y544 S545 G551	Y544-G548 PolarHBondContact O-N 3.05Å; S545-G548 PolarHBondContact O-N 2.92Å; G548-G551 WeakPolarHBondContact O-CA 3.4Å; G548-G551 PolarHBondContact O-N 3.5Å; G548-G551 VanDerWaalsContact O-N 3.1Å
549	A	96.4	Very high	95	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-42.5	-179.8	0	0	0	0	0	112.7	A203 T205 S545 L546 G551 D552 L557 A560 Y581	A203-A549 HydrophobicContact CB-CB 3.69Å; T205-A549 WeakPolarHBondContact CG2-O 3.46Å; S545-A549 WeakPolarHBondContact O-CB 3.44Å; S545-A549 PolarHBondContact O-N 3.2Å; L546-A549 PolarHBondContact O-N 3.39Å; A549-G551 PolarHBondContact O-N 2.6Å; A549-D552 PolarHBondContact O-N 2.87Å; A549-D552 VanDerWaalsContact O-N 3.13Å; A549-L557 HydrophobicContact CB-CD2 4.12Å; A549-L557 WeakPolarHBondContact O-CD2 3.26Å; A549-A560 HydrophobicContact CB-CB 4.41Å; A549-Y581 HydrophobicContact CB-CE1 4.24Å
550	A	95.1	Very high	95.1	Very high	11 Å²	11	13.7 Å²	13.7	9%	0.091	7%	0.072	C	C	.	.	H	α-helix	trans	-68.3	-16.2	175.7	0	0	0	0	0	113.2	A203 L245 Y359 L546 D552	A203-A550 HydrophobicContact CB-CB 4.03Å; L245-A550 HydrophobicContact CD1-CB 4.2Å; Y359-A550 HydrophobicContact CD1-CB 4.46Å; Y359-A550 HydrophobicContact CE1-CB 3.6Å; L546-A550 WeakPolarHBondContact O-CB 3.44Å; L546-A550 PolarHBondContact O-N 3.06Å; A550-D552 VanDerWaalsContact C-N 3.25Å
551	G	92.6	Very high	95.2	Very high	29 Å²	29	11 Å²	11	30%	0.299	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	1.3	171.6	0	0	0	0	0	115.2	H518 I547 G548 A549 D553	H518-G551 WeakPolarHBondContact NE2-CA 3.33Å; I547-G551 PolarHBondContact O-N 3.33Å; G548-G551 WeakPolarHBondContact O-CA 3.4Å; G548-G551 PolarHBondContact O-N 3.5Å; G548-G551 VanDerWaalsContact O-N 3.1Å; A549-G551 PolarHBondContact O-N 2.6Å; G551-D553 PolarHBondContact O-N 2.88Å
552	D	93.4	Very high	95.2	Very high	46 Å²	46	11 Å²	11	25%	0.246	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	21.9	-176.5	-156.7	49.9	0	0	0	114.8	T205 A549 A550 N584 Q588	T205-D552 WeakPolarHBondContact CB-OD1 3.39Å; T205-D552 HydrophobicContact CG2-CB 3.89Å; T205-D552 VanDerWaalsContact CG2-OD1 3.28Å; T205-D552 WeakPolarHBondContact CG2-OD1 3.47Å; A549-D552 PolarHBondContact O-N 2.87Å; A549-D552 VanDerWaalsContact O-N 3.13Å; A550-D552 VanDerWaalsContact C-N 3.25Å; D552-N584 PolarHBondContact OD1-ND2 3.38Å; D552-Q588 VanDerWaalsContact CG-NE2 3.32Å; D552-Q588 PolarHBondContact O-NE2 3.26Å; D552-Q588 PolarHBondContact OD1-NE2 2.79Å; D552-Q588 VanDerWaalsContact OD1-NE2 3.11Å; D552-Q588 PolarHBondContact OD2-NE2 2.85Å
553	D	92.4	Very high	95.2	Very high	28 Å²	28	10.9 Å²	10.9	15%	0.15	6%	0.06	C	C	.	.			trans	-76.1	128	177.9	179.4	-84.1	0	0	0	112.4	H518 G551 F555 A556 L557	H518-D553 HydrophobicContact CB-CB 3.39Å; G551-D553 PolarHBondContact O-N 2.88Å; D553-F555 VanDerWaalsContact C-N 3.3Å; D553-F555 PolarHBondContact O-N 3.06Å; D553-F555 WeakPolarHBondContact OD1-CA 3.33Å; D553-F555 WeakPolarHBondContact OD1-CB 3.26Å; D553-F555 PolarHBondContact OD1-N 3.22Å; D553-A556 HydrophobicContact CB-CB 4.1Å; D553-A556 PolarHBondContact O-N 3.38Å; D553-A556 PolarHBondContact OD1-N 2.64Å; D553-L557 WeakPolarHBondContact O-CB 3.41Å; D553-L557 VanDerWaalsContact O-CG 3.23Å; D553-L557 WeakPolarHBondContact O-CG 3.1Å; D553-L557 PolarHBondContact O-N 3.33Å
554	R	91.5	Very high	95.2	Very high	63 Å²	63	10.9 Å²	10.9	24%	0.238	6%	0.06	C	C	.	.	H	α-helix	trans	-53.4	-44.7	-177	-67.1	164	178	68.9	-17.3	112.5	M558 V585 Q588 D592	R554-M558 WeakPolarHBondContact O-CB 3.18Å; R554-M558 VanDerWaalsContact O-CG 3.22Å; R554-M558 WeakPolarHBondContact O-CG 3.2Å; R554-M558 PolarHBondContact O-N 3.35Å; R554-V585 HydrophobicContact CB-CG1 4.3Å; R554-V585 HydrophobicContact CG-CG1 4.49Å; R554-Q588 VanDerWaalsContact CZ-OE1 3.25Å; R554-D592 IonicContact CZ-OD1 3.31Å; R554-D592 IonicContact CZ-OD2 2.95Å; R554-D592 VanDerWaalsContact CZ-OD2 3.28Å; R554-D592 IonicContact NE-OD2 3.66Å; R554-D592 PolarHBondContact NE-OD2 3.27Å; R554-D592 VanDerWaalsContact NH2-CG 3.27Å; R554-D592 IonicContact NH2-OD1 3.25Å; R554-D592 PolarHBondContact NH2-OD1 3.47Å; R554-D592 IonicContact NH2-OD2 3.5Å; R554-D592 PolarHBondContact NH2-OD2 3.25Å
555	F	93.3	Very high	95.1	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.013	6%	0.059	C	C	.	.	H	α-helix	trans	-77.4	-40	-174.9	-52.6	-44.2	0	0	0	111.1	R519 L522 D553 M558 H559 H822 L823 M826 T852	R519-F555 HydrophobicContact CG-CD2 4.33Å; L522-F555 HydrophobicContact CD2-CB 3.52Å; D553-F555 VanDerWaalsContact C-N 3.3Å; D553-F555 PolarHBondContact O-N 3.06Å; D553-F555 WeakPolarHBondContact OD1-CA 3.33Å; D553-F555 WeakPolarHBondContact OD1-CB 3.26Å; D553-F555 PolarHBondContact OD1-N 3.22Å; F555-M558 PolarHBondContact O-N 3.29Å; F555-H559 VanDerWaalsContact O-CB 3.25Å; F555-H559 WeakPolarHBondContact O-CB 3.45Å; F555-H559 PolarHBondContact O-N 2.8Å; F555-H822 HydrophobicContact CZ-CB 4.24Å; F555-L823 HydrophobicContact CD1-CD1 4.21Å; F555-L823 HydrophobicContact CE1-CB 3.92Å; F555-L823 HydrophobicContact CE1-CD1 3.86Å; F555-L823 HydrophobicContact CE1-CG 4.49Å; F555-M826 HydrophobicContact CD2-CE 3.74Å; F555-M826 HydrophobicContact CE2-CE 3.36Å; F555-M826 HydrophobicContact CE2-SD 4.33Å; F555-M826 HydrophobicContact CZ-CE 4Å; F555-M826 HydrophobicContact CZ-SD 4.47Å; F555-T852 HydrophobicContact CB-CG2 3.81Å; F555-T852 HydrophobicContact CD1-CG2 4.04Å; F555-T852 HydrophobicContact CG-CG2 4.29Å
556	A	95.9	Very high	94.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.1	-39.9	175.2	0	0	0	0	0	112.3	D553 H559 A560	D553-A556 HydrophobicContact CB-CB 4.1Å; D553-A556 PolarHBondContact O-N 3.38Å; D553-A556 PolarHBondContact OD1-N 2.64Å; A556-H559 PolarHBondContact O-N 2.79Å; A556-A560 WeakPolarHBondContact O-CB 3.41Å; A556-A560 PolarHBondContact O-N 3.27Å
557	L	96.4	Very high	94.7	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-46.7	172.4	-71.9	168.2	0	0	0	111.8	T205 A549 D553 H559 A560 G561 Y581 N584 V585	T205-L557 HydrophobicContact CG2-CD2 4.11Å; A549-L557 HydrophobicContact CB-CD2 4.12Å; A549-L557 WeakPolarHBondContact O-CD2 3.26Å; D553-L557 WeakPolarHBondContact O-CB 3.41Å; D553-L557 VanDerWaalsContact O-CG 3.23Å; D553-L557 WeakPolarHBondContact O-CG 3.1Å; D553-L557 PolarHBondContact O-N 3.33Å; L557-H559 VanDerWaalsContact C-N 3.33Å; L557-H559 PolarHBondContact O-N 2.81Å; L557-A560 PolarHBondContact O-N 3.25Å; L557-G561 PolarHBondContact O-N 3.16Å; L557-Y581 HydrophobicContact CD2-CD1 3.63Å; L557-Y581 HydrophobicContact CD2-CE1 4.3Å; L557-Y581 WeakPolarHBondContact O-CB 3.24Å; L557-N584 HydrophobicContact CD1-CB 4.49Å; L557-N584 WeakPolarHBondContact CD1-ND2 3.27Å; L557-V585 HydrophobicContact CB-CG2 3.34Å; L557-V585 HydrophobicContact CD1-CG2 3.77Å; L557-V585 HydrophobicContact CG-CG2 4.21Å
558	M	95.8	Very high	94.5	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.02	9%	0.087	C	C	.	.	H	α-helix	trans	-61.3	-40.8	175.5	-76.1	174.7	72	0	0	112.3	R554 F555 G561 F562 Y582 V585 C817 L823 T852	R554-M558 WeakPolarHBondContact O-CB 3.18Å; R554-M558 VanDerWaalsContact O-CG 3.22Å; R554-M558 WeakPolarHBondContact O-CG 3.2Å; R554-M558 PolarHBondContact O-N 3.35Å; F555-M558 PolarHBondContact O-N 3.29Å; M558-G561 PolarHBondContact O-N 3.22Å; M558-F562 WeakPolarHBondContact O-CB 3.47Å; M558-F562 PolarHBondContact O-N 3.49Å; M558-Y582 HydrophobicContact CB-CE1 4.24Å; M558-Y582 HydrophobicContact CG-CD1 4.43Å; M558-Y582 HydrophobicContact CG-CE1 4.21Å; M558-V585 HydrophobicContact CG-CB 4.31Å; M558-V585 HydrophobicContact CG-CG1 3.83Å; M558-V585 HydrophobicContact CG-CG2 4.2Å; M558-V585 HydrophobicContact SD-CG1 4.09Å; M558-C817 HydrophobicContact CE-CB 3.8Å; M558-C817 HydrophobicContact CG-CB 4.13Å; M558-C817 HydrophobicContact SD-CB 3.97Å; M558-L823 HydrophobicContact CE-CD2 3.97Å; M558-T852 HydrophobicContact CB-CG2 4.23Å
559	H	95.8	Very high	94.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.8	-51.6	175.3	162.7	92	0	0	0	111.1	L522 S545 F555 A556 L557 G561 F562 K563 E851	L522-H559 HydrophobicContact CD1-CB 3.65Å; L522-H559 VanDerWaalsContact CD1-CG 3.5Å; S545-H559 PolarHBondContact OG-CD2 2.91Å; S545-H559 PolarHBondContact OG-NE2 2.83Å; F555-H559 VanDerWaalsContact O-CB 3.25Å; F555-H559 WeakPolarHBondContact O-CB 3.45Å; F555-H559 PolarHBondContact O-N 2.8Å; A556-H559 PolarHBondContact O-N 2.79Å; L557-H559 VanDerWaalsContact C-N 3.33Å; L557-H559 PolarHBondContact O-N 2.81Å; H559-G561 VanDerWaalsContact C-N 3.29Å; H559-G561 PolarHBondContact O-N 2.96Å; H559-F562 PolarHBondContact O-N 3.43Å; H559-F562 VanDerWaalsContact O-N 3.09Å; H559-K563 WeakPolarHBondContact CE1-CE 3.25Å; H559-K563 WeakPolarHBondContact O-CG 3.22Å; H559-K563 PolarHBondContact O-N 3.26Å; H559-E851 VanDerWaalsContact CA-O 3.3Å; H559-E851 WeakPolarHBondContact CA-O 3.41Å; H559-E851 WeakPolarHBondContact CB-O 3.14Å; H559-E851 IonicContact CE1-OE2 3.97Å; H559-E851 PolarHBondContact CE1-OE2 3.4Å; H559-E851 PolarHBondContact ND1-O 3.35Å; H559-E851 IonicContact ND1-OE2 3.05Å; H559-E851 PolarHBondContact ND1-OE2 2.78Å
560	A	96.6	Very high	94	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-58	-43.1	176	0	0	0	0	0	111.5	A549 A556 L557 F562 K563 H564 Y581	A549-A560 HydrophobicContact CB-CB 4.41Å; A556-A560 WeakPolarHBondContact O-CB 3.41Å; A556-A560 PolarHBondContact O-N 3.27Å; L557-A560 PolarHBondContact O-N 3.25Å; A560-F562 PolarHBondContact O-N 3.46Å; A560-K563 PolarHBondContact O-N 3.4Å; A560-H564 PolarHBondContact O-CD2 3.49Å; A560-H564 PolarHBondContact O-N 3.06Å; A560-Y581 HydrophobicContact CB-CD1 4.43Å; A560-Y581 HydrophobicContact CB-CD2 3.74Å; A560-Y581 HydrophobicContact CB-CE1 4.36Å; A560-Y581 HydrophobicContact CB-CE2 3.66Å; A560-Y581 HydrophobicContact CB-CG 4.13Å
561	G	96	Very high	93.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58	-44.4	172.9	0	0	0	0	0	113.4	L557 M558 H559 H564 A565 A578 Y582	L557-G561 PolarHBondContact O-N 3.16Å; M558-G561 PolarHBondContact O-N 3.22Å; H559-G561 VanDerWaalsContact C-N 3.29Å; H559-G561 PolarHBondContact O-N 2.96Å; G561-H564 PolarHBondContact O-N 2.91Å; G561-A565 WeakPolarHBondContact O-CB 3.4Å; G561-A565 PolarHBondContact O-N 3.44Å; G561-A578 WeakPolarHBondContact O-CB 3.42Å; G561-Y582 VanDerWaalsContact C-CE2 3.44Å
562	F	95.3	Very high	94	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-42.9	179	179.6	-111.1	0	0	0	112.2	M558 H559 A560 A565 H566 L568 Y582 H891	M558-F562 WeakPolarHBondContact O-CB 3.47Å; M558-F562 PolarHBondContact O-N 3.49Å; H559-F562 PolarHBondContact O-N 3.43Å; H559-F562 VanDerWaalsContact O-N 3.09Å; A560-F562 PolarHBondContact O-N 3.46Å; F562-A565 PolarHBondContact O-N 3.22Å; F562-H566 AromaticContact CD2-CE1 3.55Å; F562-H566 AromaticContact CD2-ND1 3.47Å; F562-H566 WeakPolarHBondContact CD2-ND1 3.47Å; F562-H566 AromaticContact CE2-CE1 3.4Å; F562-H566 WeakPolarHBondContact CE2-CE1 3.36Å; F562-H566 AromaticContact CE2-ND1 3.42Å; F562-H566 WeakPolarHBondContact CE2-ND1 3.49Å; F562-H566 PolarHBondContact O-N 3.02Å; F562-H566 PolarHBondContact O-ND1 2.9Å; F562-L568 HydrophobicContact CD1-CD1 4.12Å; F562-L568 HydrophobicContact CE1-CD1 3.5Å; F562-L568 HydrophobicContact CZ-CD1 3.9Å; F562-Y582 VanDerWaalsContact CA-OH 3.27Å; F562-Y582 WeakPolarHBondContact CA-OH 3.32Å; F562-Y582 WeakPolarHBondContact CB-OH 3.45Å; F562-Y582 PolarHBondContact N-OH 3.38Å; F562-H891 HydrophobicContact CZ-CB 4.37Å
563	K	95.3	Very high	94	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-41.6	176.9	-59.7	-56.8	173.4	177	0	111.6	H559 A560 G567 L568 D569 F571 E851 H891	H559-K563 WeakPolarHBondContact CE1-CE 3.25Å; H559-K563 WeakPolarHBondContact O-CG 3.22Å; H559-K563 PolarHBondContact O-N 3.26Å; A560-K563 PolarHBondContact O-N 3.4Å; K563-G567 WeakPolarHBondContact O-CA 3.27Å; K563-G567 PolarHBondContact O-N 3.45Å; K563-L568 HydrophobicContact CD-CB 3.69Å; K563-L568 HydrophobicContact CD-CD1 4.43Å; K563-L568 PolarHBondContact O-N 3.22Å; K563-L568 VanDerWaalsContact O-N 3.13Å; K563-D569 VanDerWaalsContact CE-OD2 3.25Å; K563-D569 WeakPolarHBondContact CE-OD2 3.45Å; K563-D569 IonicContact NZ-OD2 3.34Å; K563-D569 PolarHBondContact NZ-OD2 3.24Å; K563-F571 HydrophobicContact CB-CB 4.03Å; K563-F571 HydrophobicContact CB-CD1 4.37Å; K563-F571 HydrophobicContact CB-CD2 3.67Å; K563-F571 HydrophobicContact CB-CE2 4.16Å; K563-F571 HydrophobicContact CB-CG 3.78Å; K563-F571 HydrophobicContact CG-CD2 3.99Å; K563-F571 HydrophobicContact CG-CE2 4.04Å; K563-E851 WeakPolarHBondContact CE-OE2 3.46Å; K563-E851 IonicContact NZ-OE1 2.6Å; K563-E851 IonicContact NZ-OE2 2.81Å; K563-E851 PolarHBondContact NZ-OE2 2.91Å; K563-H891 PolarHBondContact NZ-NE2 3.45Å
564	H	95.8	Very high	94.2	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-74.1	-29.8	176.6	-77.8	-67.1	0	0	0	114.4	F200 A560 G561 H566 F571 P572 Q573 D574 M577 A578 Y581	F200-H564 AromaticContact CD1-CE1 3.65Å; F200-H564 AromaticContact CD1-NE2 3.81Å; A560-H564 PolarHBondContact O-CD2 3.49Å; A560-H564 PolarHBondContact O-N 3.06Å; G561-H564 PolarHBondContact O-N 2.91Å; H564-H566 VanDerWaalsContact C-N 3.27Å; H564-H566 PolarHBondContact O-N 3.29Å; H564-F571 AromaticContact CE1-CD1 3.82Å; H564-F571 AromaticContact NE2-CD1 3.47Å; H564-F571 WeakPolarHBondContact NE2-CD1 3.42Å; H564-P572 PolarHBondContact ND1-O 3.46Å; H564-Q573 CarbonylContact O-C 3.53Å; H564-Q573 VanDerWaalsContact O-CA 3.31Å; H564-Q573 WeakPolarHBondContact O-CA 3.5Å; H564-D574 PolarHBondContact O-N 2.88Å; H564-M577 HydrophobicContact CB-CB 4.48Å; H564-M577 PolarHBondContact CE1-SD 2.91Å; H564-M577 PolarHBondContact NE2-SD 2.83Å; H564-A578 HydrophobicContact CB-CB 4.2Å; H564-Y581 AromaticContact CD2-CE2 3.71Å
565	A	94.7	Very high	94.4	Very high	7 Å²	7	21.1 Å²	21.1	6%	0.058	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-34.2	175.3	0	0	0	0	0	112.3	G561 F562 Q573 A578 V810	G561-A565 WeakPolarHBondContact O-CB 3.4Å; G561-A565 PolarHBondContact O-N 3.44Å; F562-A565 PolarHBondContact O-N 3.22Å; A565-Q573 WeakPolarHBondContact O-CG 3.48Å; A565-Q573 PolarHBondContact O-NE2 2.84Å; A565-A578 HydrophobicContact CB-CB 4.02Å; A565-V810 HydrophobicContact CB-CG1 4.36Å
566	H	92.1	Very high	94.5	Very high	49 Å²	49	21.8 Å²	21.8	23%	0.227	13%	0.128	C	C	.	.	H	α-helix	trans	-113.6	-11.6	-172.1	-57.9	100.9	0	0	0	115.1	F562 H564 L568 L894	F562-H566 AromaticContact CD2-CE1 3.55Å; F562-H566 AromaticContact CD2-ND1 3.47Å; F562-H566 WeakPolarHBondContact CD2-ND1 3.47Å; F562-H566 AromaticContact CE2-CE1 3.4Å; F562-H566 WeakPolarHBondContact CE2-CE1 3.36Å; F562-H566 AromaticContact CE2-ND1 3.42Å; F562-H566 WeakPolarHBondContact CE2-ND1 3.49Å; F562-H566 PolarHBondContact O-N 3.02Å; F562-H566 PolarHBondContact O-ND1 2.9Å; H564-H566 VanDerWaalsContact C-N 3.27Å; H564-H566 PolarHBondContact O-N 3.29Å; H566-L568 HydrophobicContact CB-CD1 3.92Å; H566-L568 HydrophobicContact CB-CG 3.81Å; H566-L894 HydrophobicContact CB-CD1 4.39Å; H566-L894 PolarHBondContact NE2-O 2.97Å
567	G	93.6	Very high	94.5	Very high	30 Å²	30	21.9 Å²	21.9	31%	0.309	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	35.6	-177.2	0	0	0	0	0	114.4	K563 F571	K563-G567 WeakPolarHBondContact O-CA 3.27Å; K563-G567 PolarHBondContact O-N 3.45Å; G567-F571 CarbonylContact C-O 3.53Å; G567-F571 VanDerWaalsContact C-O 3.31Å; G567-F571 VanDerWaalsContact CA-O 3.29Å; G567-F571 WeakPolarHBondContact CA-O 3.2Å
568	L	91.8	Very high	94.5	Very high	26 Å²	26	21.8 Å²	21.8	14%	0.136	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-87.4	158.8	-173.2	-66.1	171.4	0	0	0	113	F562 K563 H566 G570 F571 L894	F562-L568 HydrophobicContact CD1-CD1 4.12Å; F562-L568 HydrophobicContact CE1-CD1 3.5Å; F562-L568 HydrophobicContact CZ-CD1 3.9Å; K563-L568 HydrophobicContact CD-CB 3.69Å; K563-L568 HydrophobicContact CD-CD1 4.43Å; K563-L568 PolarHBondContact O-N 3.22Å; K563-L568 VanDerWaalsContact O-N 3.13Å; H566-L568 HydrophobicContact CB-CD1 3.92Å; H566-L568 HydrophobicContact CB-CG 3.81Å; L568-G570 PolarHBondContact O-N 3Å; L568-F571 WeakPolarHBondContact O-CB 3.46Å; L568-F571 WeakPolarHBondContact O-CD2 3.33Å; L568-F571 PolarHBondContact O-N 3.36Å; L568-L894 HydrophobicContact CD1-CD1 3.87Å; L568-L894 HydrophobicContact CD2-CD1 3.85Å; L568-L894 HydrophobicContact CG-CD1 4.3Å
569	D	90.8	Very high	94.5	Very high	38 Å²	38	22.1 Å²	22.1	20%	0.203	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	47.3	27.8	179.7	-55.3	-38.9	0	0	0	113.9	L529 R538 H542 K563 F571 R887	L529-D569 HydrophobicContact CB-CB 4.43Å; L529-D569 HydrophobicContact CD1-CB 4.32Å; L529-D569 HydrophobicContact CD2-CB 3.86Å; L529-D569 HydrophobicContact CG-CB 4.41Å; R538-D569 PolarHBondContact NE-O 3.49Å; H542-D569 PolarHBondContact NE2-O 2.94Å; K563-D569 VanDerWaalsContact CE-OD2 3.25Å; K563-D569 WeakPolarHBondContact CE-OD2 3.45Å; K563-D569 IonicContact NZ-OD2 3.34Å; K563-D569 PolarHBondContact NZ-OD2 3.24Å; D569-F571 VanDerWaalsContact C-N 3.3Å; D569-F571 HydrophobicContact CB-CD2 4.34Å; D569-F571 PolarHBondContact O-N 3.37Å; D569-R887 IonicContact OD1-CZ 2.72Å; D569-R887 IonicContact OD1-NH1 3.11Å; D569-R887 PolarHBondContact OD1-NH1 3.14Å; D569-R887 IonicContact OD1-NH2 3.16Å; D569-R887 IonicContact OD2-CZ 3.55Å; D569-R887 IonicContact OD2-NH1 2.86Å; D569-R887 IonicContact OD2-NH2 3.58Å; D569-R887 PolarHBondContact OD2-NH2 3.12Å
570	G	90.1	Very high	94.5	Very high	32 Å²	32	22.4 Å²	22.4	33%	0.33	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	66.4	23.5	-177.9	0	0	0	0	0	115.5	R538 L568	R538-G570 VanDerWaalsContact NH2-CA 3.32Å; R538-G570 PolarHBondContact NH2-O 3.29Å; L568-G570 PolarHBondContact O-N 3Å
571	F	93.7	Very high	94.5	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.022	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-70.8	141.7	151.7	-67.7	-101.3	0	0	0	108.3	F200 L529 H542 K563 H564 G567 L568 D569	F200-F571 HydrophobicContact CD1-CD1 4.15Å; F200-F571 AromaticContact CE1-CD1 3.45Å; F200-F571 HydrophobicContact CE1-CD1 3.45Å; F200-F571 VanDerWaalsContact CE1-CD1 3.45Å; F200-F571 AromaticContact CE1-CE1 3.55Å; F200-F571 HydrophobicContact CE1-CE1 3.55Å; F200-F571 HydrophobicContact CE2-CD1 4.49Å; F200-F571 AromaticContact CZ-CD1 3.65Å; F200-F571 HydrophobicContact CZ-CD1 3.65Å; F200-F571 AromaticContact CZ-CE1 3.67Å; F200-F571 HydrophobicContact CZ-CE1 3.67Å; F200-F571 HydrophobicContact CZ-CG 4.48Å; F200-F571 HydrophobicContact CZ-CZ 4.49Å; L529-F571 HydrophobicContact CD1-CE2 4.11Å; H542-F571 AromaticContact CD2-CD2 3.92Å; H542-F571 AromaticContact CD2-CE2 3.34Å; H542-F571 WeakPolarHBondContact CD2-CE2 3.32Å; H542-F571 AromaticContact CD2-CZ 3.58Å; H542-F571 AromaticContact NE2-CD2 3.63Å; H542-F571 AromaticContact NE2-CE2 3.56Å; K563-F571 HydrophobicContact CB-CB 4.03Å; K563-F571 HydrophobicContact CB-CD1 4.37Å; K563-F571 HydrophobicContact CB-CD2 3.67Å; K563-F571 HydrophobicContact CB-CE2 4.16Å; K563-F571 HydrophobicContact CB-CG 3.78Å; K563-F571 HydrophobicContact CG-CD2 3.99Å; K563-F571 HydrophobicContact CG-CE2 4.04Å; H564-F571 AromaticContact CE1-CD1 3.82Å; H564-F571 AromaticContact NE2-CD1 3.47Å; H564-F571 WeakPolarHBondContact NE2-CD1 3.42Å; G567-F571 CarbonylContact C-O 3.53Å; G567-F571 VanDerWaalsContact C-O 3.31Å; G567-F571 VanDerWaalsContact CA-O 3.29Å; G567-F571 WeakPolarHBondContact CA-O 3.2Å; L568-F571 WeakPolarHBondContact O-CB 3.46Å; L568-F571 WeakPolarHBondContact O-CD2 3.33Å; L568-F571 PolarHBondContact O-N 3.36Å; D569-F571 VanDerWaalsContact C-N 3.3Å; D569-F571 HydrophobicContact CB-CD2 4.34Å; D569-F571 PolarHBondContact O-N 3.37Å
572	P	93.9	Very high	94.5	Very high	44 Å²	44	22.8 Å²	22.8	29%	0.286	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-70.2	144.7	174.8	30.3	-36.1	0	0	0	111	F200 H564 D574	F200-P572 HydrophobicContact CB-CG 3.55Å; F200-P572 HydrophobicContact CG-CG 4.2Å; H564-P572 PolarHBondContact ND1-O 3.46Å; P572-D574 PolarHBondContact O-N 3.4Å
573	Q	94.3	Very high	94.6	Very high	134 Å²	134	22.8 Å²	22.8	63%	0.626	13%	0.133	S	C	*	.	P	Polyproline II helix	trans	-68.1	116	169.9	-167.2	177.7	26.9	0	0	109.7	H564 A565	H564-Q573 CarbonylContact O-C 3.53Å; H564-Q573 VanDerWaalsContact O-CA 3.31Å; H564-Q573 WeakPolarHBondContact O-CA 3.5Å; A565-Q573 WeakPolarHBondContact O-CG 3.48Å; A565-Q573 PolarHBondContact O-NE2 2.84Å
574	D	95.3	Very high	94.5	Very high	23 Å²	23	23.1 Å²	23.1	12%	0.123	14%	0.135	C	C	.	.			trans	-151.9	98.8	-177.3	-168.4	-16.3	0	0	0	110.3	R213 H564 P572 D576 M577 A578	R213-D574 IonicContact CZ-OD1 3.77Å; R213-D574 IonicContact CZ-OD2 3.51Å; R213-D574 IonicContact NH1-OD1 3.06Å; R213-D574 PolarHBondContact NH1-OD1 2.82Å; R213-D574 IonicContact NH1-OD2 3.97Å; R213-D574 PolarHBondContact NH1-OD2 2.95Å; R213-D574 IonicContact NH2-OD1 3.65Å; R213-D574 PolarHBondContact NH2-OD1 2.93Å; R213-D574 IonicContact NH2-OD2 2.89Å; R213-D574 PolarHBondContact NH2-OD2 3.4Å; H564-D574 PolarHBondContact O-N 2.88Å; P572-D574 PolarHBondContact O-N 3.4Å; D574-D576 VanDerWaalsContact C-N 3.28Å; D574-D576 PolarHBondContact O-N 3.48Å; D574-D576 PolarHBondContact OD1-N 2.95Å; D574-M577 HydrophobicContact CB-CB 3.98Å; D574-M577 PolarHBondContact O-N 2.94Å; D574-M577 PolarHBondContact OD1-N 3.37Å; D574-A578 PolarHBondContact O-N 2.9Å
575	L	96	Very high	94.5	Very high	44 Å²	44	23.1 Å²	23.1	23%	0.23	14%	0.135	C	C	.	.	H	α-helix	trans	-66.5	-28.2	-176.9	-62.8	175	0	0	0	112.9	M577 A578 Y579 V806 Q807 V810	L575-M577 VanDerWaalsContact C-N 3.35Å; L575-A578 PolarHBondContact O-N 3.25Å; L575-Y579 VanDerWaalsContact O-CB 3.29Å; L575-Y579 WeakPolarHBondContact O-CB 3.34Å; L575-Y579 PolarHBondContact O-N 3.06Å; L575-V806 HydrophobicContact CB-CB 4.32Å; L575-V806 HydrophobicContact CB-CG1 3.8Å; L575-V806 WeakPolarHBondContact O-CG1 3.44Å; L575-Q807 HydrophobicContact CD1-CB 4.11Å; L575-Q807 VanDerWaalsContact CD1-OE1 3.3Å; L575-V810 WeakPolarHBondContact O-CG2 3.18Å
576	D	95.4	Very high	94.4	Very high	17 Å²	17	22.8 Å²	22.8	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-72.8	-33.7	177.5	-61	-36.6	0	0	0	110.8	V211 R213 D574 G580 R804 V806	V211-D576 HydrophobicContact CG1-CB 3.85Å; R213-D576 WeakPolarHBondContact CD-OD2 3.41Å; R213-D576 IonicContact CZ-OD2 3.71Å; R213-D576 IonicContact NE-OD2 3.81Å; R213-D576 VanDerWaalsContact NH1-CB 3.31Å; R213-D576 IonicContact NH1-OD2 2.71Å; R213-D576 PolarHBondContact NH1-OD2 2.93Å; D574-D576 VanDerWaalsContact C-N 3.28Å; D574-D576 PolarHBondContact O-N 3.48Å; D574-D576 PolarHBondContact OD1-N 2.95Å; D576-G580 PolarHBondContact O-N 2.81Å; D576-R804 VanDerWaalsContact CG-NH2 3.33Å; D576-R804 IonicContact OD1-CZ 2.67Å; D576-R804 IonicContact OD1-NH1 3.09Å; D576-R804 PolarHBondContact OD1-NH1 3.07Å; D576-R804 IonicContact OD1-NH2 2.74Å; D576-R804 PolarHBondContact OD1-NH2 2.96Å; D576-R804 IonicContact OD2-NH1 3.62Å; D576-R804 IonicContact OD2-NH2 2.93Å; D576-V806 WeakPolarHBondContact OD1-CG1 3.21Å; D576-V806 WeakPolarHBondContact OD1-CG2 3.36Å
577	M	95.4	Very high	94.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-72.1	-42.2	172.5	-168.4	169.6	-56.3	0	0	111.7	L198 L202 V211 H564 D574 L575 Y579 G580 Y581	L198-M577 HydrophobicContact CD2-CE 3.48Å; L198-M577 VanDerWaalsContact CD2-CE 3.48Å; L202-M577 HydrophobicContact CB-CE 4.21Å; L202-M577 HydrophobicContact CD1-CG 4.05Å; L202-M577 HydrophobicContact CD1-SD 4.37Å; V211-M577 HydrophobicContact CG2-CB 4.44Å; V211-M577 HydrophobicContact CG2-CG 4.4Å; H564-M577 HydrophobicContact CB-CB 4.48Å; H564-M577 PolarHBondContact CE1-SD 2.91Å; H564-M577 PolarHBondContact NE2-SD 2.83Å; D574-M577 HydrophobicContact CB-CB 3.98Å; D574-M577 PolarHBondContact O-N 2.94Å; D574-M577 PolarHBondContact OD1-N 3.37Å; L575-M577 VanDerWaalsContact C-N 3.35Å; M577-Y579 VanDerWaalsContact C-N 3.32Å; M577-Y579 PolarHBondContact O-N 2.77Å; M577-G580 PolarHBondContact O-N 3.42Å; M577-G580 VanDerWaalsContact O-N 3.15Å; M577-Y581 HydrophobicContact CG-CD2 4.12Å; M577-Y581 HydrophobicContact CG-CE2 3.63Å; M577-Y581 WeakPolarHBondContact O-CD2 3.38Å; M577-Y581 PolarHBondContact O-N 3.02Å; M577-Y581 VanDerWaalsContact O-N 3.14Å; M577-Y581 HydrophobicContact SD-CE2 4.08Å
578	A	96.8	Very high	94.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-43.8	172.6	0	0	0	0	0	111.8	G561 H564 A565 D574 L575 G580 Y581 Y582 V810	G561-A578 WeakPolarHBondContact O-CB 3.42Å; H564-A578 HydrophobicContact CB-CB 4.2Å; A565-A578 HydrophobicContact CB-CB 4.02Å; D574-A578 PolarHBondContact O-N 2.9Å; L575-A578 PolarHBondContact O-N 3.25Å; A578-G580 PolarHBondContact O-N 3.42Å; A578-Y581 PolarHBondContact O-N 3.07Å; A578-Y582 HydrophobicContact CB-CD2 4.34Å; A578-Y582 HydrophobicContact CB-CE2 4.47Å; A578-Y582 WeakPolarHBondContact O-CB 3.18Å; A578-Y582 WeakPolarHBondContact O-CD2 3.46Å; A578-Y582 PolarHBondContact O-N 2.91Å; A578-V810 HydrophobicContact CB-CG1 4.42Å; A578-V810 HydrophobicContact CB-CG2 4.22Å
579	Y	96.8	Very high	94	Very high	12 Å²	12	21 Å²	21	5%	0.047	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-43.7	172.7	168.4	-90.4	0	0	0	112	V212 L575 M577 Y581 Y582 S583 A791 W792 S795 A809 L813	V212-Y579 HydrophobicContact CG2-CE1 4.04Å; L575-Y579 VanDerWaalsContact O-CB 3.29Å; L575-Y579 WeakPolarHBondContact O-CB 3.34Å; L575-Y579 PolarHBondContact O-N 3.06Å; M577-Y579 VanDerWaalsContact C-N 3.32Å; M577-Y579 PolarHBondContact O-N 2.77Å; Y579-Y581 PolarHBondContact O-N 3.03Å; Y579-Y582 PolarHBondContact O-N 3.15Å; Y579-S583 WeakPolarHBondContact O-CB 3.47Å; Y579-S583 PolarHBondContact O-N 3.49Å; Y579-S583 PolarHBondContact O-OG 2.77Å; Y579-A791 HydrophobicContact CE2-CB 4.14Å; Y579-A791 WeakPolarHBondContact CE2-O 3.49Å; Y579-W792 WeakPolarHBondContact OH-CA 3.42Å; Y579-S795 WeakPolarHBondContact CE1-OG 3.38Å; Y579-S795 VanDerWaalsContact CE2-OG 3.29Å; Y579-S795 WeakPolarHBondContact CE2-OG 3.46Å; Y579-S795 PolarHBondContact OH-OG 3.05Å; Y579-A809 HydrophobicContact CD2-CB 4.1Å; Y579-A809 HydrophobicContact CE2-CB 4.5Å; Y579-L813 HydrophobicContact CD2-CD1 3.55Å; Y579-L813 HydrophobicContact CE2-CD1 3.7Å
580	G	95.2	Very high	93.7	Very high	5 Å²	5	20.6 Å²	20.6	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-56.9	-45.9	177.5	0	0	0	0	0	112.9	G210 D576 M577 A578 S583	G210-G580 WeakPolarHBondContact O-CA 3.23Å; D576-G580 PolarHBondContact O-N 2.81Å; M577-G580 PolarHBondContact O-N 3.42Å; M577-G580 VanDerWaalsContact O-N 3.15Å; A578-G580 PolarHBondContact O-N 3.42Å; G580-S583 PolarHBondContact O-OG 3.47Å; G580-S583 VanDerWaalsContact O-OG 3.12Å
581	Y	96.9	Very high	93.4	Very high	6 Å²	6	21.2 Å²	21.2	2%	0.024	12%	0.12	C	C	.	.	H	α-helix	trans	-70.9	-47	176.5	-65.2	-54	0	0	0	113	L202 A203 A549 L557 A560 H564 M577 A578 Y579 S583 N584 V585	L202-Y581 HydrophobicContact CD1-CE1 4.05Å; L202-Y581 HydrophobicContact CD1-CE2 4.41Å; A203-Y581 HydrophobicContact CB-CE1 4.14Å; A203-Y581 PolarHBondContact N-OH 3.45Å; A203-Y581 WeakPolarHBondContact O-CE1 3.33Å; A549-Y581 HydrophobicContact CB-CE1 4.24Å; L557-Y581 HydrophobicContact CD2-CD1 3.63Å; L557-Y581 HydrophobicContact CD2-CE1 4.3Å; L557-Y581 WeakPolarHBondContact O-CB 3.24Å; A560-Y581 HydrophobicContact CB-CD1 4.43Å; A560-Y581 HydrophobicContact CB-CD2 3.74Å; A560-Y581 HydrophobicContact CB-CE1 4.36Å; A560-Y581 HydrophobicContact CB-CE2 3.66Å; A560-Y581 HydrophobicContact CB-CG 4.13Å; H564-Y581 AromaticContact CD2-CE2 3.71Å; M577-Y581 HydrophobicContact CG-CD2 4.12Å; M577-Y581 HydrophobicContact CG-CE2 3.63Å; M577-Y581 WeakPolarHBondContact O-CD2 3.38Å; M577-Y581 PolarHBondContact O-N 3.02Å; M577-Y581 VanDerWaalsContact O-N 3.14Å; M577-Y581 HydrophobicContact SD-CE2 4.08Å; A578-Y581 PolarHBondContact O-N 3.07Å; Y579-Y581 PolarHBondContact O-N 3.03Å; Y581-S583 PolarHBondContact O-N 3.45Å; Y581-N584 PolarHBondContact O-N 2.85Å; Y581-V585 PolarHBondContact O-N 2.62Å
582	Y	96.5	Very high	92.6	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-70.6	-28.1	-178.1	-76.6	-57.5	0	0	0	113.7	M558 G561 F562 A578 Y579 V585 G586 V810 Q814 C817	M558-Y582 HydrophobicContact CB-CE1 4.24Å; M558-Y582 HydrophobicContact CG-CD1 4.43Å; M558-Y582 HydrophobicContact CG-CE1 4.21Å; G561-Y582 VanDerWaalsContact C-CE2 3.44Å; F562-Y582 VanDerWaalsContact CA-OH 3.27Å; F562-Y582 WeakPolarHBondContact CA-OH 3.32Å; F562-Y582 WeakPolarHBondContact CB-OH 3.45Å; F562-Y582 PolarHBondContact N-OH 3.38Å; A578-Y582 HydrophobicContact CB-CD2 4.34Å; A578-Y582 HydrophobicContact CB-CE2 4.47Å; A578-Y582 WeakPolarHBondContact O-CB 3.18Å; A578-Y582 WeakPolarHBondContact O-CD2 3.46Å; A578-Y582 PolarHBondContact O-N 2.91Å; Y579-Y582 PolarHBondContact O-N 3.15Å; Y582-V585 PolarHBondContact O-N 3.46Å; Y582-G586 PolarHBondContact O-N 3.23Å; Y582-V810 HydrophobicContact CD2-CG1 4.08Å; Y582-V810 HydrophobicContact CE2-CG1 4.15Å; Y582-Q814 HydrophobicContact CD1-CG 4.45Å; Y582-Q814 HydrophobicContact CD2-CG 4.12Å; Y582-Q814 HydrophobicContact CE1-CG 3.99Å; Y582-Q814 HydrophobicContact CE2-CG 3.61Å; Y582-Q814 PolarHBondContact OH-NE2 2.75Å; Y582-C817 HydrophobicContact CD1-CB 4.38Å
583	S	95.4	Very high	91.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-68.4	-37.9	177.4	56.4	0	0	0	0	111.8	Y579 G580 Y581 G586 S587	Y579-S583 WeakPolarHBondContact O-CB 3.47Å; Y579-S583 PolarHBondContact O-N 3.49Å; Y579-S583 PolarHBondContact O-OG 2.77Å; G580-S583 PolarHBondContact O-OG 3.47Å; G580-S583 VanDerWaalsContact O-OG 3.12Å; Y581-S583 PolarHBondContact O-N 3.45Å; S583-G586 PolarHBondContact O-N 2.98Å; S583-S587 PolarHBondContact O-N 2.86Å
584	N	94.7	Very high	90.1	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.032	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-55.3	170.2	-173.7	-0.7	0	0	0	110.8	T205 F209 D552 L557 Y581 G586 S587 Q588	T205-N584 PolarHBondContact OG1-ND2 2.97Å; F209-N584 HydrophobicContact CB-CB 3.81Å; F209-N584 HydrophobicContact CD1-CB 4.38Å; F209-N584 HydrophobicContact CD2-CB 3.65Å; F209-N584 HydrophobicContact CE2-CB 4.39Å; F209-N584 HydrophobicContact CG-CB 3.66Å; D552-N584 PolarHBondContact OD1-ND2 3.38Å; L557-N584 HydrophobicContact CD1-CB 4.49Å; L557-N584 WeakPolarHBondContact CD1-ND2 3.27Å; Y581-N584 PolarHBondContact O-N 2.85Å; N584-G586 VanDerWaalsContact C-N 3.28Å; N584-G586 PolarHBondContact O-N 3.46Å; N584-S587 WeakPolarHBondContact O-CB 3.39Å; N584-S587 PolarHBondContact O-N 3.17Å; N584-S587 VanDerWaalsContact O-N 3.11Å; N584-Q588 WeakPolarHBondContact O-CG 3.33Å; N584-Q588 PolarHBondContact O-N 2.93Å; N584-Q588 PolarHBondContact OD1-NE2 3.37Å
585	V	94.8	Very high	88.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-33.7	-179.6	-175.1	0	0	0	0	112.1	R554 L557 M558 Y581 Y582 Q588 S589 C817	R554-V585 HydrophobicContact CB-CG1 4.3Å; R554-V585 HydrophobicContact CG-CG1 4.49Å; L557-V585 HydrophobicContact CB-CG2 3.34Å; L557-V585 HydrophobicContact CD1-CG2 3.77Å; L557-V585 HydrophobicContact CG-CG2 4.21Å; M558-V585 HydrophobicContact CG-CB 4.31Å; M558-V585 HydrophobicContact CG-CG1 3.83Å; M558-V585 HydrophobicContact CG-CG2 4.2Å; M558-V585 HydrophobicContact SD-CG1 4.09Å; Y581-V585 PolarHBondContact O-N 2.62Å; Y582-V585 PolarHBondContact O-N 3.46Å; V585-Q588 PolarHBondContact O-N 2.94Å; V585-S589 VanDerWaalsContact O-CB 3.26Å; V585-S589 WeakPolarHBondContact O-CB 3.5Å; V585-S589 PolarHBondContact O-N 2.93Å; V585-S589 PolarHBondContact O-OG 2.93Å; V585-C817 HydrophobicContact CG1-CB 4.18Å
586	G	93.1	Very high	86.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-45.7	173.3	0	0	0	0	0	112.2	Y582 S583 N584 S589 S590	Y582-G586 PolarHBondContact O-N 3.23Å; S583-G586 PolarHBondContact O-N 2.98Å; N584-G586 VanDerWaalsContact C-N 3.28Å; N584-G586 PolarHBondContact O-N 3.46Å; G586-S589 PolarHBondContact O-N 2.71Å; G586-S590 WeakPolarHBondContact O-CB 3.39Å; G586-S590 PolarHBondContact O-N 3.44Å; G586-S590 PolarHBondContact O-OG 2.65Å
587	S	90.9	Very high	84.6	Confident	36 Å²	36	34 Å²	34	25%	0.252	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-44.4	174.1	-176.4	0	0	0	0	112.4	S583 N584 S589 S590 S591	S583-S587 PolarHBondContact O-N 2.86Å; N584-S587 WeakPolarHBondContact O-CB 3.39Å; N584-S587 PolarHBondContact O-N 3.17Å; N584-S587 VanDerWaalsContact O-N 3.11Å; S587-S589 PolarHBondContact O-N 3.1Å; S587-S590 PolarHBondContact O-N 3.36Å; S587-S590 PolarHBondContact O-OG 3.32Å; S587-S591 WeakPolarHBondContact O-CB 3.4Å; S587-S591 PolarHBondContact O-N 2.85Å; S587-S591 PolarHBondContact O-OG 3.16Å
588	Q	90.1	Very high	82.4	Confident	20 Å²	20	38.6 Å²	38.6	9%	0.093	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-47.8	173.8	-66	-174.3	34.6	0	0	110.9	D552 R554 N584 V585 S590 S591 D592	D552-Q588 VanDerWaalsContact CG-NE2 3.32Å; D552-Q588 PolarHBondContact O-NE2 3.26Å; D552-Q588 PolarHBondContact OD1-NE2 2.79Å; D552-Q588 VanDerWaalsContact OD1-NE2 3.11Å; D552-Q588 PolarHBondContact OD2-NE2 2.85Å; R554-Q588 VanDerWaalsContact CZ-OE1 3.25Å; N584-Q588 WeakPolarHBondContact O-CG 3.33Å; N584-Q588 PolarHBondContact O-N 2.93Å; N584-Q588 PolarHBondContact OD1-NE2 3.37Å; V585-Q588 PolarHBondContact O-N 2.94Å; Q588-S590 PolarHBondContact O-N 3.28Å; Q588-S591 CarbonylContact O-C 3.05Å; Q588-S591 WeakPolarHBondContact O-CB 3.36Å; Q588-S591 PolarHBondContact O-N 3.48Å; Q588-S591 VanDerWaalsContact O-N 3.16Å; Q588-D592 WeakPolarHBondContact O-CB 3.38Å; Q588-D592 PolarHBondContact O-N 3.4Å
589	S	88.3	Confident	80.2	Confident	12 Å²	12	45.5 Å²	45.5	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-39.2	-178	-54.9	0	0	0	0	112.4	V585 G586 S587 D592 R593 N820	V585-S589 VanDerWaalsContact O-CB 3.26Å; V585-S589 WeakPolarHBondContact O-CB 3.5Å; V585-S589 PolarHBondContact O-N 2.93Å; V585-S589 PolarHBondContact O-OG 2.93Å; G586-S589 PolarHBondContact O-N 2.71Å; S587-S589 PolarHBondContact O-N 3.1Å; S589-D592 PolarHBondContact O-N 3.14Å; S589-R593 PolarHBondContact O-N 2.87Å; S589-N820 PolarHBondContact OG-ND2 3.3Å
590	S	85.1	Confident	78.4	Confident	29 Å²	29	50.9 Å²	50.9	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-37.9	174	72	0	0	0	0	112.3	G586 S587 Q588	G586-S590 WeakPolarHBondContact O-CB 3.39Å; G586-S590 PolarHBondContact O-N 3.44Å; G586-S590 PolarHBondContact O-OG 2.65Å; S587-S590 PolarHBondContact O-N 3.36Å; S587-S590 PolarHBondContact O-OG 3.32Å; Q588-S590 PolarHBondContact O-N 3.28Å
591	S	82.8	Confident	76.6	Confident	46 Å²	46	51.7 Å²	51.7	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-66.8	-42.6	174	-61	0	0	0	0	111.9	S587 Q588 R593 S594	S587-S591 WeakPolarHBondContact O-CB 3.4Å; S587-S591 PolarHBondContact O-N 2.85Å; S587-S591 PolarHBondContact O-OG 3.16Å; Q588-S591 CarbonylContact O-C 3.05Å; Q588-S591 WeakPolarHBondContact O-CB 3.36Å; Q588-S591 PolarHBondContact O-N 3.48Å; Q588-S591 VanDerWaalsContact O-N 3.16Å; S591-R593 PolarHBondContact O-N 3.29Å; S591-S594 WeakPolarHBondContact O-CB 3.36Å; S591-S594 PolarHBondContact O-N 3.16Å; S591-S594 VanDerWaalsContact O-N 3.14Å; S591-S594 PolarHBondContact O-OG 3.49Å
592	D	77.8	Confident	74.8	Confident	7 Å²	7	53 Å²	53	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-41.9	179.6	-70.2	-21.9	0	0	0	111.5	R554 Q588 S589 S594 R595 Q601 H822	R554-D592 IonicContact CZ-OD1 3.31Å; R554-D592 IonicContact CZ-OD2 2.95Å; R554-D592 VanDerWaalsContact CZ-OD2 3.28Å; R554-D592 IonicContact NE-OD2 3.66Å; R554-D592 PolarHBondContact NE-OD2 3.27Å; R554-D592 VanDerWaalsContact NH2-CG 3.27Å; R554-D592 IonicContact NH2-OD1 3.25Å; R554-D592 PolarHBondContact NH2-OD1 3.47Å; R554-D592 IonicContact NH2-OD2 3.5Å; R554-D592 PolarHBondContact NH2-OD2 3.25Å; Q588-D592 WeakPolarHBondContact O-CB 3.38Å; Q588-D592 PolarHBondContact O-N 3.4Å; S589-D592 PolarHBondContact O-N 3.14Å; D592-S594 PolarHBondContact O-N 3.09Å; D592-S594 VanDerWaalsContact O-N 3.16Å; D592-R595 CarbonylContact O-C 3.57Å; D592-R595 WeakPolarHBondContact O-CA 3.05Å; D592-R595 PolarHBondContact O-N 2.95Å; D592-Q601 PolarHBondContact O-OE1 2.99Å; D592-H822 IonicContact OD1-NE2 3.43Å; D592-H822 IonicContact OD2-CD2 2.68Å; D592-H822 PolarHBondContact OD2-CD2 2.79Å; D592-H822 IonicContact OD2-NE2 3.52Å
593	R	71.3	Confident	73	Confident	131 Å²	131	55.8 Å²	55.8	49%	0.494	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-26.7	176.1	-177.5	169.9	167.6	174.5	-10.7	113.2	S589 S591 I596	S589-R593 PolarHBondContact O-N 2.87Å; S591-R593 PolarHBondContact O-N 3.29Å; R593-I596 WeakPolarHBondContact O-CG1 3.47Å
594	S	64.4	Low	71.2	Confident	86 Å²	86	56.5 Å²	56.5	60%	0.601	28%	0.278	S	S	*	.	H	α-helix	trans	-77.5	-20.9	172.8	79	0	0	0	0	113.5	S591 D592	S591-S594 WeakPolarHBondContact O-CB 3.36Å; S591-S594 PolarHBondContact O-N 3.16Å; S591-S594 VanDerWaalsContact O-N 3.14Å; S591-S594 PolarHBondContact O-OG 3.49Å; D592-S594 PolarHBondContact O-N 3.09Å; D592-S594 VanDerWaalsContact O-N 3.16Å
595	R	65.9	Low	69.8	Low	153 Å²	153	58.9 Å²	58.9	58%	0.577	29%	0.289	S	S	*	.			trans	-103.9	53	-173.3	-62.9	179.2	-178	-177.6	3.6	112.2	D592 H597	D592-R595 CarbonylContact O-C 3.57Å; D592-R595 WeakPolarHBondContact O-CA 3.05Å; D592-R595 PolarHBondContact O-N 2.95Å; R595-H597 PolarHBondContact O-N 3.17Å
596	I	53.4	Low	68.6	Low	22 Å²	22	64.7 Å²	64.7	11%	0.113	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-0.7	-177.1	-54.7	161.5	0	0	0	114.8	R593 Y649 W650 K657	R593-I596 WeakPolarHBondContact O-CG1 3.47Å; I596-Y649 HydrophobicContact CG2-CE1 4Å; I596-W650 HydrophobicContact CD1-CH2 4Å; I596-W650 HydrophobicContact CG1-CH2 4.19Å; I596-W650 HydrophobicContact CG1-CZ3 4.37Å; I596-W650 HydrophobicContact CG2-CH2 4.2Å; I596-W650 HydrophobicContact CG2-CZ3 3.93Å; I596-K657 PolarHBondContact O-NZ 2.84Å
597	H	50.2	Low	67.8	Low	135 Å²	135	65.5 Å²	65.5	63%	0.625	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.2	-170.7	-71.2	-80	0	0	0	115.3	R595 Q690	R595-H597 PolarHBondContact O-N 3.17Å; H597-Q690 PolarHBondContact CE1-NE2 3.27Å; H597-Q690 VanDerWaalsContact CE1-NE2 3.29Å; H597-Q690 PolarHBondContact NE2-NE2 2.78Å; H597-Q690 VanDerWaalsContact NE2-NE2 3.17Å
598	E	50.3	Low	67.3	Low	99 Å²	99	66.6 Å²	66.6	46%	0.463	32%	0.318	S	S	.	.			trans	-86	133.4	174	-66.7	-171.7	-171.6	0	0	111.4	K600 H822	E598-K600 PolarHBondContact O-N 3Å; E598-H822 IonicContact OE2-CE1 2.72Å
599	H	51.3	Low	66.9	Low	145 Å²	145	66 Å²	66	67%	0.671	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	16.5	173.5	-54.9	-48	0	0	0	113.5
600	K	57.6	Low	66.2	Low	125 Å²	125	67.8 Å²	67.8	54%	0.543	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	26.4	-172.8	-62.6	-166	175.2	-163.8	0	113.6	E598 H822 F825	E598-K600 PolarHBondContact O-N 3Å; K600-H822 PolarHBondContact O-ND1 2.89Å; K600-F825 VanDerWaalsContact CA-CD2 3.45Å; K600-F825 HydrophobicContact CB-CD2 4.16Å; K600-F825 HydrophobicContact CB-CE2 4.18Å; K600-F825 HydrophobicContact CB-CG 4.4Å; K600-F825 HydrophobicContact CB-CZ 4.41Å; K600-F825 HydrophobicContact CG-CE2 4.15Å; K600-F825 HydrophobicContact CG-CZ 4.12Å; K600-F825 WeakPolarHBondContact O-CB 3.37Å
601	Q	57.1	Low	65.8	Low	22 Å²	22	68.9 Å²	68.9	10%	0.103	34%	0.339	C	S	.	.			trans	-130.3	117.5	177.5	-68.4	179.8	-3.6	0	0	109.8	D592 G821 H822	D592-Q601 PolarHBondContact O-OE1 2.99Å; Q601-G821 WeakPolarHBondContact CA-O 2.94Å; Q601-H822 PolarHBondContact NE2-NE2 3.44Å; Q601-H822 VanDerWaalsContact NE2-NE2 3.18Å
602	Y	58.9	Low	65.2	Low	33 Å²	33	74 Å²	74	13%	0.129	36%	0.357	C	S	.	.			trans	-126.9	143	172.5	-68	-62.5	0	0	0	108.4	W650 K657 G821 G824 F825 R828	Y602-W650 VanDerWaalsContact CD1-O 3.24Å; Y602-W650 WeakPolarHBondContact CD1-O 3.48Å; Y602-K657 HydrophobicContact CE1-CB 4.33Å; Y602-G821 PolarHBondContact N-O 3.25Å; Y602-G821 WeakPolarHBondContact O-CA 3.44Å; Y602-G821 VanDerWaalsContact O-O 3.06Å; Y602-G824 WeakPolarHBondContact O-CA 3.46Å; Y602-F825 HydrophobicContact CD2-CB 4.15Å; Y602-F825 AromaticContact CD2-CD2 3.51Å; Y602-F825 HydrophobicContact CD2-CD2 3.51Å; Y602-F825 HydrophobicContact CD2-CE2 4.36Å; Y602-F825 HydrophobicContact CD2-CG 4.25Å; Y602-F825 AromaticContact CE2-CD2 3.5Å; Y602-F825 HydrophobicContact CE2-CD2 3.5Å; Y602-F825 AromaticContact CE2-CE2 3.91Å; Y602-F825 HydrophobicContact CE2-CE2 3.91Å; Y602-R828 HydrophobicContact CD2-CB 4.37Å
603	T	60.3	Low	64.8	Low	63 Å²	63	79.2 Å²	79.2	39%	0.387	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-62.6	131.4	167.5	46.5	0	0	0	0	108.4	H605	T603-H605 PolarHBondContact O-CE1 2.94Å; T603-H605 PolarHBondContact O-N 3.36Å; T603-H605 PolarHBondContact O-ND1 2.71Å
604	P	57.8	Low	64.8	Low	17 Å²	17	74.6 Å²	74.6	11%	0.11	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-57	126.3	175.7	-17.1	25.2	0	0	0	110.4	K818	P604-K818 VanDerWaalsContact CG-O 3.31Å; P604-K818 WeakPolarHBondContact CG-O 3.41Å
605	H	63.7	Low	65.2	Low	55 Å²	55	72.7 Å²	72.7	26%	0.255	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-94.5	134.8	171.3	-66.2	64.3	0	0	0	107.9	T603 I607 Q652 N653 L856	T603-H605 PolarHBondContact O-CE1 2.94Å; T603-H605 PolarHBondContact O-N 3.36Å; T603-H605 PolarHBondContact O-ND1 2.71Å; H605-I607 HydrophobicContact CB-CD1 4.11Å; H605-I607 HydrophobicContact CB-CG1 4.37Å; H605-I607 PolarHBondContact O-N 3.44Å; H605-Q652 WeakPolarHBondContact NE2-CA 3.3Å; H605-N653 PolarHBondContact NE2-N 3.21Å; H605-L856 WeakPolarHBondContact O-CD2 3.35Å
606	F	70.1	Confident	65.4	Low	123 Å²	123	71.3 Å²	71.3	54%	0.539	36%	0.358	S	S	.	.			trans	-92.7	83.3	-176.5	-64.2	-89.1	0	0	0	110.4	L856	F606-L856 HydrophobicContact CB-CD2 4.32Å; F606-L856 HydrophobicContact CD1-CB 4.31Å; F606-L856 HydrophobicContact CD1-CD2 3.83Å; F606-L856 HydrophobicContact CG-CD2 4.34Å
607	I	76.3	Confident	66	Low	17 Å²	17	73.6 Å²	73.6	9%	0.087	38%	0.376	C	S	.	.			trans	-116.7	111.9	-177.7	-63.5	169.4	0	0	0	108.7	H605 D614 L615 L618 L831 N860	H605-I607 HydrophobicContact CB-CD1 4.11Å; H605-I607 HydrophobicContact CB-CG1 4.37Å; H605-I607 PolarHBondContact O-N 3.44Å; I607-D614 HydrophobicContact CG2-CB 4.15Å; I607-L615 HydrophobicContact CG2-CD2 4.18Å; I607-L618 HydrophobicContact CD1-CD2 3.52Å; I607-L618 HydrophobicContact CD1-CG 4.11Å; I607-L831 HydrophobicContact CB-CD2 4.47Å; I607-L831 HydrophobicContact CD1-CD2 3.63Å; I607-L831 HydrophobicContact CG2-CD1 4.32Å; I607-L831 HydrophobicContact CG2-CD2 4.32Å; I607-N860 PolarHBondContact O-ND2 2.99Å
608	Y	80.4	Confident	66.8	Low	59 Å²	59	69.1 Å²	69.1	23%	0.231	36%	0.356	C	S	.	.			trans	-84.5	121.4	175.2	-67.8	-84.1	0	0	0	110.1	G610 N611 D614 L856 N860 P900	Y608-G610 PolarHBondContact O-N 3.13Å; Y608-N611 PolarHBondContact O-N 3.02Å; Y608-D614 WeakPolarHBondContact CB-OD2 3.41Å; Y608-D614 VanDerWaalsContact CD2-OD2 3.31Å; Y608-D614 WeakPolarHBondContact CD2-OD2 3.28Å; Y608-D614 PolarHBondContact N-OD2 3.47Å; Y608-L856 HydrophobicContact CD1-CD1 3.65Å; Y608-L856 HydrophobicContact CD2-CD1 3.96Å; Y608-L856 HydrophobicContact CE1-CB 4.49Å; Y608-L856 HydrophobicContact CE1-CD1 3.54Å; Y608-L856 HydrophobicContact CE2-CD1 3.86Å; Y608-L856 HydrophobicContact CG-CD1 3.85Å; Y608-N860 WeakPolarHBondContact CA-OD1 3.42Å; Y608-P900 HydrophobicContact CE1-CB 4.29Å; Y608-P900 HydrophobicContact CE1-CG 3.75Å
609	L	82.1	Confident	67.5	Low	6 Å²	6	65 Å²	65	3%	0.031	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.7	-178.6	-65.9	-176.1	0	0	0	113.3	N611 L615 L831 Y846 N860 L864	L609-N611 VanDerWaalsContact C-N 3.28Å; L609-N611 PolarHBondContact O-N 3.03Å; L609-L615 HydrophobicContact CD2-CD2 4.22Å; L609-L831 HydrophobicContact CD2-CD1 3.62Å; L609-Y846 HydrophobicContact CD1-CD2 4.41Å; L609-Y846 HydrophobicContact CD1-CE2 3.73Å; L609-Y846 HydrophobicContact CG-CE2 4.46Å; L609-N860 HydrophobicContact CD1-CB 4.08Å; L609-N860 HydrophobicContact CG-CB 4.09Å; L609-N860 PolarHBondContact N-OD1 2.7Å; L609-L864 HydrophobicContact CD1-CD1 4.06Å; L609-L864 HydrophobicContact CD1-CD2 3.96Å; L609-L864 HydrophobicContact CD1-CG 3.88Å
610	G	74.3	Confident	68.2	Low	50 Å²	50	61.9 Å²	61.9	52%	0.515	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.5	176.1	0	0	0	0	0	114.7	Y608	Y608-G610 PolarHBondContact O-N 3.13Å
611	N	75.2	Confident	68.5	Low	52 Å²	52	60 Å²	60	28%	0.278	32%	0.318	S	S	.	.			trans	-113.4	113.9	174.4	-172.9	15.6	0	0	0	110.2	Y608 L609 D613 D614 L615	Y608-N611 PolarHBondContact O-N 3.02Å; L609-N611 VanDerWaalsContact C-N 3.28Å; L609-N611 PolarHBondContact O-N 3.03Å; N611-D613 VanDerWaalsContact C-N 3.28Å; N611-D613 PolarHBondContact O-N 3.35Å; N611-D613 PolarHBondContact OD1-N 3.34Å; N611-D614 HydrophobicContact CB-CB 4.03Å; N611-D614 VanDerWaalsContact ND2-CG 3.33Å; N611-D614 PolarHBondContact ND2-OD1 2.96Å; N611-D614 PolarHBondContact O-N 2.9Å; N611-L615 PolarHBondContact O-N 2.87Å
612	E	70.6	Confident	68.8	Low	153 Å²	153	62.6 Å²	62.6	72%	0.715	34%	0.339	S	S	*	.	H	α-helix	trans	-64.2	-33.5	178.5	-66	-171.8	175.5	0	0	111.8	D614 L615 N616	E612-D614 PolarHBondContact O-N 2.85Å; E612-L615 PolarHBondContact O-N 3Å; E612-N616 WeakPolarHBondContact O-CB 3.34Å; E612-N616 PolarHBondContact O-N 3.5Å; E612-N616 PolarHBondContact O-ND2 3.48Å
613	D	70.3	Confident	69.3	Low	118 Å²	118	62.4 Å²	62.4	63%	0.631	34%	0.343	S	S	*	.	H	α-helix	trans	-65.7	-38.7	177.4	-68.1	-31.5	0	0	0	112.5	N611 L615 N616 S617	N611-D613 VanDerWaalsContact C-N 3.28Å; N611-D613 PolarHBondContact O-N 3.35Å; N611-D613 PolarHBondContact OD1-N 3.34Å; D613-L615 VanDerWaalsContact C-N 3.35Å; D613-N616 PolarHBondContact O-N 3.28Å; D613-S617 WeakPolarHBondContact O-CB 3.32Å; D613-S617 PolarHBondContact O-N 2.99Å
614	D	71.3	Confident	70	Confident	33 Å²	33	65.7 Å²	65.7	18%	0.176	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-40.9	175.4	-75.4	12.9	0	0	0	111	I607 Y608 N611 E612 S617	I607-D614 HydrophobicContact CG2-CB 4.15Å; Y608-D614 WeakPolarHBondContact CB-OD2 3.41Å; Y608-D614 VanDerWaalsContact CD2-OD2 3.31Å; Y608-D614 WeakPolarHBondContact CD2-OD2 3.28Å; Y608-D614 PolarHBondContact N-OD2 3.47Å; N611-D614 HydrophobicContact CB-CB 4.03Å; N611-D614 VanDerWaalsContact ND2-CG 3.33Å; N611-D614 PolarHBondContact ND2-OD1 2.96Å; N611-D614 PolarHBondContact O-N 2.9Å; E612-D614 PolarHBondContact O-N 2.85Å; D614-S617 WeakPolarHBondContact O-CB 3.38Å; D614-S617 PolarHBondContact O-N 2.91Å; D614-S617 PolarHBondContact O-OG 2.99Å
615	L	73.2	Confident	70.7	Confident	46 Å²	46	68.8 Å²	68.8	24%	0.241	38%	0.376	C	S	.	.	H	α-helix	trans	-68	-40.5	176.2	-69	173.2	0	0	0	111.5	I607 L609 N611 E612 D613 S617 L618 L831	I607-L615 HydrophobicContact CG2-CD2 4.18Å; L609-L615 HydrophobicContact CD2-CD2 4.22Å; N611-L615 PolarHBondContact O-N 2.87Å; E612-L615 PolarHBondContact O-N 3Å; D613-L615 VanDerWaalsContact C-N 3.35Å; L615-S617 PolarHBondContact O-N 3.34Å; L615-L618 HydrophobicContact CD2-CD1 4.37Å; L615-L618 WeakPolarHBondContact O-CB 3.4Å; L615-L618 PolarHBondContact O-N 3.41Å; L615-L831 HydrophobicContact CD2-CD1 4.38Å
616	N	68.3	Low	71.6	Confident	124 Å²	124	66.5 Å²	66.5	66%	0.663	37%	0.366	S	S	*	.	H	α-helix	trans	-67.4	-22.2	175	-69.6	-31.9	0	0	0	112.7	E612 D613 L618	E612-N616 WeakPolarHBondContact O-CB 3.34Å; E612-N616 PolarHBondContact O-N 3.5Å; E612-N616 PolarHBondContact O-ND2 3.48Å; D613-N616 PolarHBondContact O-N 3.28Å; N616-L618 PolarHBondContact O-N 2.88Å
617	S	67.4	Low	72.1	Confident	71 Å²	71	65.8 Å²	65.8	50%	0.497	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.9	175.3	84	0	0	0	0	114.3	D613 D614 L615 M619	D613-S617 WeakPolarHBondContact O-CB 3.32Å; D613-S617 PolarHBondContact O-N 2.99Å; D614-S617 WeakPolarHBondContact O-CB 3.38Å; D614-S617 PolarHBondContact O-N 2.91Å; D614-S617 PolarHBondContact O-OG 2.99Å; L615-S617 PolarHBondContact O-N 3.34Å; S617-M619 PolarHBondContact O-N 2.86Å
618	L	67.4	Low	72.5	Confident	41 Å²	41	72 Å²	72	22%	0.215	39%	0.387	C	S	.	.			trans	-65.9	118.7	178.6	-78.7	167	0	0	0	111.6	I607 L615 N616 D620 L831 L835	I607-L618 HydrophobicContact CD1-CD2 3.52Å; I607-L618 HydrophobicContact CD1-CG 4.11Å; L615-L618 HydrophobicContact CD2-CD1 4.37Å; L615-L618 WeakPolarHBondContact O-CB 3.4Å; L615-L618 PolarHBondContact O-N 3.41Å; N616-L618 PolarHBondContact O-N 2.88Å; L618-D620 PolarHBondContact O-N 2.76Å; L618-L831 HydrophobicContact CD1-CD2 4.32Å; L618-L831 HydrophobicContact CD2-CD2 4.19Å; L618-L835 HydrophobicContact CD1-CD1 4.05Å
619	M	63.7	Low	72.7	Confident	11 Å²	11	69.9 Å²	69.9	5%	0.054	38%	0.38	C	S	.	.			trans	-98.5	80.1	173.8	-60.3	172.5	61.1	0	0	109.6	S617 V625 F626 L629 M647 N653	S617-M619 PolarHBondContact O-N 2.86Å; M619-V625 HydrophobicContact CE-CB 4.12Å; M619-V625 HydrophobicContact CE-CG1 3.74Å; M619-V625 HydrophobicContact CG-CB 4.33Å; M619-V625 HydrophobicContact CG-CG1 4.4Å; M619-V625 HydrophobicContact SD-CG1 4Å; M619-F626 HydrophobicContact CE-CB 4.15Å; M619-L629 HydrophobicContact CE-CD2 4.33Å; M619-M647 HydrophobicContact CE-CE 3.92Å; M619-M647 HydrophobicContact CE-SD 4.46Å; M619-M647 HydrophobicContact SD-CE 4.39Å; M619-N653 CarbonylContact C-O 3.57Å; M619-N653 VanDerWaalsContact C-O 3.29Å; M619-N653 HydrophobicContact CB-CB 3.93Å; M619-N653 HydrophobicContact CG-CB 4.35Å; M619-N653 PolarHBondContact N-O 3.02Å; M619-N653 VanDerWaalsContact O-O 3.11Å; M619-N653 HydrophobicContact SD-CB 4.33Å; M619-N653 PolarHBondContact SD-ND2 2.83Å; M619-N653 VanDerWaalsContact SD-ND2 3.44Å
620	D	65.6	Low	72.9	Confident	81 Å²	81	73.1 Å²	73.1	43%	0.433	40%	0.395	S	S	.	.			trans	-59.5	159.8	159.8	-178.8	45.2	0	0	0	110.5	L618 S622 S623	L618-D620 PolarHBondContact O-N 2.76Å; D620-S622 PolarHBondContact O-N 2.91Å; D620-S622 VanDerWaalsContact O-N 3.1Å; D620-S622 VanDerWaalsContact OD2-CB 3.31Å; D620-S622 WeakPolarHBondContact OD2-CB 3.5Å; D620-S622 PolarHBondContact OD2-N 2.85Å; D620-S622 PolarHBondContact OD2-OG 2.84Å; D620-S623 WeakPolarHBondContact O-CB 2.93Å; D620-S623 PolarHBondContact O-N 2.83Å
621	E	64	Low	73.6	Confident	84 Å²	84	76.2 Å²	76.2	39%	0.393	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.7	176.5	-66.6	173.8	-154.6	0	0	112.1	F626 V655 S656	E621-F626 HydrophobicContact CB-CD1 4.44Å; E621-F626 HydrophobicContact CB-CE1 4.28Å; E621-F626 HydrophobicContact CG-CE1 4.4Å; E621-F626 HydrophobicContact CG-CZ 4.35Å; E621-F626 VanDerWaalsContact O-CD1 3.25Å; E621-F626 WeakPolarHBondContact O-CD1 2.9Å; E621-V655 HydrophobicContact CG-CB 4.32Å; E621-V655 HydrophobicContact CG-CG1 4.03Å; E621-V655 HydrophobicContact CG-CG2 4.02Å; E621-S656 PolarHBondContact OE1-N 2.99Å
622	S	63.4	Low	74.3	Confident	78 Å²	78	75.9 Å²	75.9	55%	0.545	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.9	171.2	65.1	0	0	0	0	115.3	D620 Q627	D620-S622 PolarHBondContact O-N 2.91Å; D620-S622 VanDerWaalsContact O-N 3.1Å; D620-S622 VanDerWaalsContact OD2-CB 3.31Å; D620-S622 WeakPolarHBondContact OD2-CB 3.5Å; D620-S622 PolarHBondContact OD2-N 2.85Å; D620-S622 PolarHBondContact OD2-OG 2.84Å; S622-Q627 PolarHBondContact O-NE2 3.09Å
623	S	70.6	Confident	75.2	Confident	28 Å²	28	68.6 Å²	68.6	20%	0.196	36%	0.355	C	S	.	.			trans	-62.8	138	-174.1	178	0	0	0	0	113.1	D620 V625 F626 Q627	D620-S623 WeakPolarHBondContact O-CB 2.93Å; D620-S623 PolarHBondContact O-N 2.83Å; S623-V625 PolarHBondContact O-N 2.85Å; S623-V625 VanDerWaalsContact O-N 3.16Å; S623-V625 PolarHBondContact OG-N 2.03Å; S623-F626 WeakPolarHBondContact O-CA 3.19Å; S623-F626 WeakPolarHBondContact O-CB 3.27Å; S623-F626 PolarHBondContact O-N 3.49Å; S623-Q627 WeakPolarHBondContact O-CG 3.29Å; S623-Q627 PolarHBondContact O-N 2.97Å
624	D	74.5	Confident	76.1	Confident	132 Å²	132	68.4 Å²	68.4	71%	0.706	35%	0.35	S	S	*	.	H	α-helix	trans	-54.3	-34.7	174.1	-68.4	-21.1	0	0	0	112.4	Q627 Y628	D624-Q627 PolarHBondContact O-N 2.84Å; D624-Y628 VanDerWaalsContact O-CB 3.32Å; D624-Y628 WeakPolarHBondContact O-CB 3.25Å; D624-Y628 PolarHBondContact O-N 3.48Å
625	V	72.9	Confident	76.9	Confident	83 Å²	83	75.1 Å²	75.1	50%	0.503	37%	0.373	S	S	.	.	H	α-helix	trans	-69.6	-37.5	177.5	-171.9	0	0	0	0	110.8	M619 S623 L629	M619-V625 HydrophobicContact CE-CB 4.12Å; M619-V625 HydrophobicContact CE-CG1 3.74Å; M619-V625 HydrophobicContact CG-CB 4.33Å; M619-V625 HydrophobicContact CG-CG1 4.4Å; M619-V625 HydrophobicContact SD-CG1 4Å; S623-V625 PolarHBondContact O-N 2.85Å; S623-V625 VanDerWaalsContact O-N 3.16Å; S623-V625 PolarHBondContact OG-N 2.03Å; V625-L629 WeakPolarHBondContact O-CB 3.5Å; V625-L629 PolarHBondContact O-N 2.88Å
626	F	81.3	Confident	77.5	Confident	7 Å²	7	74.1 Å²	74.1	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-68.8	-44.7	175	-178.2	-93.4	0	0	0	111.1	M619 E621 S623 Y628 L629 Q630 L644 M647 F648 V655	M619-F626 HydrophobicContact CE-CB 4.15Å; E621-F626 HydrophobicContact CB-CD1 4.44Å; E621-F626 HydrophobicContact CB-CE1 4.28Å; E621-F626 HydrophobicContact CG-CE1 4.4Å; E621-F626 HydrophobicContact CG-CZ 4.35Å; E621-F626 VanDerWaalsContact O-CD1 3.25Å; E621-F626 WeakPolarHBondContact O-CD1 2.9Å; S623-F626 WeakPolarHBondContact O-CA 3.19Å; S623-F626 WeakPolarHBondContact O-CB 3.27Å; S623-F626 PolarHBondContact O-N 3.49Å; F626-Y628 PolarHBondContact O-N 2.84Å; F626-L629 PolarHBondContact O-N 3.38Å; F626-Q630 PolarHBondContact O-N 3.27Å; F626-L644 HydrophobicContact CD2-CD2 4.23Å; F626-L644 HydrophobicContact CE2-CD2 3.63Å; F626-L644 HydrophobicContact CZ-CD2 4.1Å; F626-M647 HydrophobicContact CD2-CE 3.99Å; F626-M647 HydrophobicContact CE2-CE 4.31Å; F626-F648 HydrophobicContact CE2-CZ 4.48Å; F626-F648 HydrophobicContact CZ-CE2 4.34Å; F626-F648 AromaticContact CZ-CZ 3.82Å; F626-F648 HydrophobicContact CZ-CZ 3.82Å; F626-V655 HydrophobicContact CD2-CG2 3.75Å; F626-V655 HydrophobicContact CE2-CG1 4.32Å; F626-V655 HydrophobicContact CE2-CG2 3.6Å; F626-V655 HydrophobicContact CZ-CG2 4.45Å
627	Q	82.2	Confident	78.4	Confident	107 Å²	107	71.4 Å²	71.4	50%	0.5	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-41.8	176.1	-66.1	-177.3	54.1	0	0	112	S622 S623 D624 Q630 Y631	S622-Q627 PolarHBondContact O-NE2 3.09Å; S623-Q627 WeakPolarHBondContact O-CG 3.29Å; S623-Q627 PolarHBondContact O-N 2.97Å; D624-Q627 PolarHBondContact O-N 2.84Å; Q627-Q630 PolarHBondContact O-N 3.06Å; Q627-Y631 WeakPolarHBondContact O-CB 3.42Å; Q627-Y631 PolarHBondContact O-N 3.03Å
628	Y	83.4	Confident	79.1	Confident	147 Å²	147	69.7 Å²	69.7	58%	0.576	34%	0.344	S	S	*	.	H	α-helix	trans	-63	-44.2	173.9	179.7	-97.1	0	0	0	112.1	D624 F626 Q630 Y631 Q632	D624-Y628 VanDerWaalsContact O-CB 3.32Å; D624-Y628 WeakPolarHBondContact O-CB 3.25Å; D624-Y628 PolarHBondContact O-N 3.48Å; F626-Y628 PolarHBondContact O-N 2.84Å; Y628-Q630 VanDerWaalsContact C-N 3.35Å; Y628-Q630 PolarHBondContact O-N 2.9Å; Y628-Y631 WeakPolarHBondContact O-CB 3.47Å; Y628-Y631 PolarHBondContact O-N 2.98Å; Y628-Q632 HydrophobicContact CD1-CG 4.26Å; Y628-Q632 HydrophobicContact CE1-CG 3.83Å; Y628-Q632 HydrophobicContact CE2-CG 4.39Å; Y628-Q632 VanDerWaalsContact CZ-NE2 3.27Å; Y628-Q632 WeakPolarHBondContact O-CG 3.48Å; Y628-Q632 PolarHBondContact O-N 3.1Å; Y628-Q632 PolarHBondContact OH-NE2 2.85Å; Y628-Q632 VanDerWaalsContact OH-NE2 3.14Å
629	L	85	Confident	79.8	Confident	16 Å²	16	73.4 Å²	73.4	8%	0.084	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-42.2	176.7	-172.9	70	0	0	0	111.6	M619 V625 F626 Q632 A633 R643 L644 M647	M619-L629 HydrophobicContact CE-CD2 4.33Å; V625-L629 WeakPolarHBondContact O-CB 3.5Å; V625-L629 PolarHBondContact O-N 2.88Å; F626-L629 PolarHBondContact O-N 3.38Å; L629-Q632 PolarHBondContact O-N 3.2Å; L629-A633 WeakPolarHBondContact O-CB 3.46Å; L629-A633 PolarHBondContact O-N 3.36Å; L629-R643 HydrophobicContact CD1-CB 4.46Å; L629-R643 HydrophobicContact CD1-CG 4.49Å; L629-R643 HydrophobicContact CD2-CB 4.4Å; L629-R643 HydrophobicContact CD2-CG 3.97Å; L629-L644 HydrophobicContact CD2-CD2 3.64Å; L629-L644 HydrophobicContact CD2-CG 3.95Å; L629-L644 HydrophobicContact CG-CD1 4.5Å; L629-L644 HydrophobicContact CG-CD2 3.99Å; L629-L644 HydrophobicContact CG-CG 3.98Å; L629-M647 HydrophobicContact CD2-SD 3.63Å
630	Q	86.4	Confident	80.9	Confident	73 Å²	73	73.5 Å²	73.5	34%	0.341	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-47.6	172.9	-175.3	176.8	-22.1	0	0	111.6	F626 Q627 Y628 Q632 A633 E634 L644	F626-Q630 PolarHBondContact O-N 3.27Å; Q627-Q630 PolarHBondContact O-N 3.06Å; Y628-Q630 VanDerWaalsContact C-N 3.35Å; Y628-Q630 PolarHBondContact O-N 2.9Å; Q630-Q632 PolarHBondContact O-N 3.25Å; Q630-A633 PolarHBondContact O-N 2.97Å; Q630-E634 HydrophobicContact CG-CG 4.4Å; Q630-E634 WeakPolarHBondContact CG-OE1 3.45Å; Q630-E634 PolarHBondContact NE2-OE1 2.96Å; Q630-E634 WeakPolarHBondContact O-CB 3.46Å; Q630-E634 WeakPolarHBondContact O-CG 3.45Å; Q630-E634 PolarHBondContact O-N 2.84Å; Q630-L644 HydrophobicContact CB-CD1 4.37Å
631	Y	88.8	Confident	82	Confident	116 Å²	116	70.1 Å²	70.1	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-43.7	177.9	174.6	-96.6	0	0	0	112.7	Q627 Y628 E634 R635	Q627-Y631 WeakPolarHBondContact O-CB 3.42Å; Q627-Y631 PolarHBondContact O-N 3.03Å; Y628-Y631 WeakPolarHBondContact O-CB 3.47Å; Y628-Y631 PolarHBondContact O-N 2.98Å; Y631-E634 PolarHBondContact O-N 3.41Å; Y631-R635 VanDerWaalsContact CE1-CD 3.5Å; Y631-R635 VanDerWaalsContact CZ-CD 3.42Å; Y631-R635 WeakPolarHBondContact O-CG 3.49Å; Y631-R635 PolarHBondContact O-N 3.38Å; Y631-R635 VanDerWaalsContact O-N 3.12Å; Y631-R635 WeakPolarHBondContact OH-CD 3.48Å; Y631-R635 PolarHBondContact OH-NH1 2.91Å
632	Q	89.6	Confident	83	Confident	45 Å²	45	69.9 Å²	69.9	21%	0.21	34%	0.34	C	S	.	.	H	α-helix	trans	-66	-42.3	176.3	-64.6	-57.3	-19.5	0	0	112	Y628 L629 Q630 E634 R635 G636 D637 S640	Y628-Q632 HydrophobicContact CD1-CG 4.26Å; Y628-Q632 HydrophobicContact CE1-CG 3.83Å; Y628-Q632 HydrophobicContact CE2-CG 4.39Å; Y628-Q632 VanDerWaalsContact CZ-NE2 3.27Å; Y628-Q632 WeakPolarHBondContact O-CG 3.48Å; Y628-Q632 PolarHBondContact O-N 3.1Å; Y628-Q632 PolarHBondContact OH-NE2 2.85Å; Y628-Q632 VanDerWaalsContact OH-NE2 3.14Å; L629-Q632 PolarHBondContact O-N 3.2Å; Q630-Q632 PolarHBondContact O-N 3.25Å; Q632-E634 PolarHBondContact O-N 3.16Å; Q632-R635 PolarHBondContact O-N 2.78Å; Q632-R635 VanDerWaalsContact O-N 3.14Å; Q632-G636 PolarHBondContact O-N 2.67Å; Q632-D637 HydrophobicContact CB-CB 4.14Å; Q632-D637 WeakPolarHBondContact O-CB 3.48Å; Q632-D637 PolarHBondContact O-N 2.83Å; Q632-D637 VanDerWaalsContact O-N 3.09Å; Q632-S640 WeakPolarHBondContact CB-OG 3.3Å
633	A	89.2	Confident	83.9	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-38.8	177.1	0	0	0	0	0	112.7	L629 Q630 R635 G636 Q641 L644 W665	L629-A633 WeakPolarHBondContact O-CB 3.46Å; L629-A633 PolarHBondContact O-N 3.36Å; Q630-A633 PolarHBondContact O-N 2.97Å; A633-R635 VanDerWaalsContact C-N 3.29Å; A633-R635 PolarHBondContact O-N 3.47Å; A633-G636 PolarHBondContact O-N 2.74Å; A633-Q641 HydrophobicContact CB-CG 3.83Å; A633-Q641 WeakPolarHBondContact O-CG 3.15Å; A633-Q641 PolarHBondContact O-NE2 3.47Å; A633-L644 HydrophobicContact CB-CD1 3.33Å; A633-L644 HydrophobicContact CB-CG 4.45Å; A633-W665 HydrophobicContact CB-CE3 4.33Å; A633-W665 HydrophobicContact CB-CH2 4.17Å; A633-W665 HydrophobicContact CB-CZ3 3.89Å
634	E	89.8	Confident	84.6	Confident	114 Å²	114	70.4 Å²	70.4	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-33.6	173.5	-74.8	179.7	-171.2	0	0	112.3	Q630 Y631 Q632 G636 W665	Q630-E634 HydrophobicContact CG-CG 4.4Å; Q630-E634 WeakPolarHBondContact CG-OE1 3.45Å; Q630-E634 PolarHBondContact NE2-OE1 2.96Å; Q630-E634 WeakPolarHBondContact O-CB 3.46Å; Q630-E634 WeakPolarHBondContact O-CG 3.45Å; Q630-E634 PolarHBondContact O-N 2.84Å; Y631-E634 PolarHBondContact O-N 3.41Å; Q632-E634 PolarHBondContact O-N 3.16Å; E634-G636 PolarHBondContact O-N 2.83Å; E634-W665 HydrophobicContact CG-CH2 3.85Å
635	R	89.3	Confident	85.2	Confident	173 Å²	173	64.1 Å²	64.1	65%	0.653	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.8	174.5	-71.7	-171.5	64.6	171.6	-3.6	114.9	Y631 Q632 A633	Y631-R635 VanDerWaalsContact CE1-CD 3.5Å; Y631-R635 VanDerWaalsContact CZ-CD 3.42Å; Y631-R635 WeakPolarHBondContact O-CG 3.49Å; Y631-R635 PolarHBondContact O-N 3.38Å; Y631-R635 VanDerWaalsContact O-N 3.12Å; Y631-R635 WeakPolarHBondContact OH-CD 3.48Å; Y631-R635 PolarHBondContact OH-NH1 2.91Å; Q632-R635 PolarHBondContact O-N 2.78Å; Q632-R635 VanDerWaalsContact O-N 3.14Å; A633-R635 VanDerWaalsContact C-N 3.29Å; A633-R635 PolarHBondContact O-N 3.47Å
636	G	84.6	Confident	85.7	Confident	26 Å²	26	61.5 Å²	61.5	27%	0.268	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.1	4.4	174.5	0	0	0	0	0	115.3	Q632 A633 E634 L638 Q672	Q632-G636 PolarHBondContact O-N 2.67Å; A633-G636 PolarHBondContact O-N 2.74Å; E634-G636 PolarHBondContact O-N 2.83Å; G636-L638 PolarHBondContact O-N 2.87Å; G636-Q672 PolarHBondContact O-NE2 3.12Å
637	D	87.1	Confident	85.7	Confident	66 Å²	66	61.3 Å²	61.3	35%	0.353	28%	0.275	S	S	.	.			trans	-64	123.1	178.5	179.3	56	0	0	0	111.6	Q632 S640 Q641	Q632-D637 HydrophobicContact CB-CB 4.14Å; Q632-D637 WeakPolarHBondContact O-CB 3.48Å; Q632-D637 PolarHBondContact O-N 2.83Å; Q632-D637 VanDerWaalsContact O-N 3.09Å; D637-S640 WeakPolarHBondContact OD2-CB 3.32Å; D637-S640 PolarHBondContact OD2-N 2.99Å; D637-S640 PolarHBondContact OD2-OG 3.29Å; D637-Q641 WeakPolarHBondContact O-CB 3.46Å; D637-Q641 VanDerWaalsContact O-CG 3.23Å; D637-Q641 WeakPolarHBondContact O-CG 3.23Å; D637-Q641 PolarHBondContact O-N 3.21Å
638	L	83.3	Confident	85.8	Confident	35 Å²	35	57.3 Å²	57.3	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-69.8	-41.3	-170.6	-69.4	167	0	0	0	112.3	G636 Q641 R642 Q672 K674	G636-L638 PolarHBondContact O-N 2.87Å; L638-Q641 PolarHBondContact O-N 3.27Å; L638-R642 WeakPolarHBondContact O-CB 3.26Å; L638-R642 PolarHBondContact O-N 2.63Å; L638-Q672 HydrophobicContact CD2-CB 3.78Å; L638-Q672 VanDerWaalsContact CD2-CD 3.43Å; L638-Q672 HydrophobicContact CD2-CG 3.98Å; L638-K674 HydrophobicContact CD1-CB 3.49Å; L638-K674 VanDerWaalsContact CD1-CB 3.49Å; L638-K674 HydrophobicContact CD1-CD 3.8Å; L638-K674 HydrophobicContact CD1-CG 4.33Å
639	E	82.2	Confident	85.5	Confident	120 Å²	120	51.2 Å²	51.2	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-67.3	-44.5	-179.3	-173.8	173.1	176.6	0	0	110	R642 R643	E639-R642 PolarHBondContact O-N 3Å; E639-R643 WeakPolarHBondContact O-CB 3.28Å; E639-R643 PolarHBondContact O-N 3.39Å
640	S	85.6	Confident	84.9	Confident	13 Å²	13	54.7 Å²	54.7	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-42.2	175.2	-56.7	0	0	0	0	112.4	Q632 D637 R643 L644	Q632-S640 WeakPolarHBondContact CB-OG 3.3Å; D637-S640 WeakPolarHBondContact OD2-CB 3.32Å; D637-S640 PolarHBondContact OD2-N 2.99Å; D637-S640 PolarHBondContact OD2-OG 3.29Å; S640-R643 PolarHBondContact O-N 3.2Å; S640-L644 WeakPolarHBondContact O-CG 3.45Å; S640-L644 PolarHBondContact O-N 3.38Å
641	Q	88.4	Confident	84.3	Confident	10 Å²	10	51.2 Å²	51.2	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-46.8	174.1	-74.8	179.9	0.9	0	0	111.9	A633 D637 L638 G645 W665	A633-Q641 HydrophobicContact CB-CG 3.83Å; A633-Q641 WeakPolarHBondContact O-CG 3.15Å; A633-Q641 PolarHBondContact O-NE2 3.47Å; D637-Q641 WeakPolarHBondContact O-CB 3.46Å; D637-Q641 VanDerWaalsContact O-CG 3.23Å; D637-Q641 WeakPolarHBondContact O-CG 3.23Å; D637-Q641 PolarHBondContact O-N 3.21Å; L638-Q641 PolarHBondContact O-N 3.27Å; Q641-G645 PolarHBondContact O-N 2.75Å; Q641-W665 HydrophobicContact CB-CE3 4.45Å; Q641-W665 HydrophobicContact CG-CE3 3.93Å; Q641-W665 HydrophobicContact CG-CZ3 4.15Å
642	R	84.5	Confident	83.3	Confident	78 Å²	78	48 Å²	48	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-44.5	176.8	-173.5	175.6	59.4	80.5	7.5	110.7	L638 E639 G645 T646 F666 D675	L638-R642 WeakPolarHBondContact O-CB 3.26Å; L638-R642 PolarHBondContact O-N 2.63Å; E639-R642 PolarHBondContact O-N 3Å; R642-G645 CarbonylContact O-C 3.58Å; R642-G645 WeakPolarHBondContact O-CA 3.49Å; R642-G645 PolarHBondContact O-N 2.95Å; R642-G645 VanDerWaalsContact O-N 3.17Å; R642-T646 PolarHBondContact O-N 3.2Å; R642-T646 PolarHBondContact O-OG1 3.04Å; R642-F666 HydrophobicContact CG-CE1 4.36Å; R642-D675 VanDerWaalsContact CD-OD2 3.26Å; R642-D675 WeakPolarHBondContact CD-OD2 3.15Å; R642-D675 IonicContact NE-OD2 3.38Å; R642-D675 PolarHBondContact NE-OD2 3.44Å; R642-D675 VanDerWaalsContact NE-OD2 3.14Å
643	R	83.4	Confident	82.2	Confident	116 Å²	116	48.1 Å²	48.1	44%	0.438	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-45.5	-179.9	-170.7	171.2	176.4	164.1	-3	112	L629 E639 S640 T646 M647	L629-R643 HydrophobicContact CD1-CB 4.46Å; L629-R643 HydrophobicContact CD1-CG 4.49Å; L629-R643 HydrophobicContact CD2-CB 4.4Å; L629-R643 HydrophobicContact CD2-CG 3.97Å; E639-R643 WeakPolarHBondContact O-CB 3.28Å; E639-R643 PolarHBondContact O-N 3.39Å; S640-R643 PolarHBondContact O-N 3.2Å; R643-T646 PolarHBondContact O-N 3.18Å; R643-M647 HydrophobicContact CG-SD 4.1Å; R643-M647 WeakPolarHBondContact O-CB 3.31Å; R643-M647 VanDerWaalsContact O-CG 3.22Å; R643-M647 WeakPolarHBondContact O-CG 3.47Å; R643-M647 PolarHBondContact O-N 3.04Å
644	L	85.8	Confident	80.9	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-41.1	172.4	-70.7	171.7	0	0	0	112.2	F626 L629 Q630 A633 S640 T646 M647 F648 W665	F626-L644 HydrophobicContact CD2-CD2 4.23Å; F626-L644 HydrophobicContact CE2-CD2 3.63Å; F626-L644 HydrophobicContact CZ-CD2 4.1Å; L629-L644 HydrophobicContact CD2-CD2 3.64Å; L629-L644 HydrophobicContact CD2-CG 3.95Å; L629-L644 HydrophobicContact CG-CD1 4.5Å; L629-L644 HydrophobicContact CG-CD2 3.99Å; L629-L644 HydrophobicContact CG-CG 3.98Å; Q630-L644 HydrophobicContact CB-CD1 4.37Å; A633-L644 HydrophobicContact CB-CD1 3.33Å; A633-L644 HydrophobicContact CB-CG 4.45Å; S640-L644 WeakPolarHBondContact O-CG 3.45Å; S640-L644 PolarHBondContact O-N 3.38Å; L644-T646 VanDerWaalsContact C-N 3.32Å; L644-T646 PolarHBondContact O-N 3.44Å; L644-M647 PolarHBondContact O-N 2.9Å; L644-F648 HydrophobicContact CB-CD2 4.4Å; L644-F648 HydrophobicContact CB-CE2 4.48Å; L644-F648 HydrophobicContact CD2-CE2 4.49Å; L644-F648 WeakPolarHBondContact O-CB 3.47Å; L644-F648 VanDerWaalsContact O-CD2 3.22Å; L644-F648 WeakPolarHBondContact O-CD2 3.28Å; L644-F648 PolarHBondContact O-N 3.28Å; L644-W665 HydrophobicContact CB-CG 4.28Å; L644-W665 HydrophobicContact CD1-CZ2 4.37Å
645	G	86.9	Confident	80.2	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-53.2	-49.9	172	0	0	0	0	0	111.8	Q641 R642 Y649 A662 F666	Q641-G645 PolarHBondContact O-N 2.75Å; R642-G645 CarbonylContact O-C 3.58Å; R642-G645 WeakPolarHBondContact O-CA 3.49Å; R642-G645 PolarHBondContact O-N 2.95Å; R642-G645 VanDerWaalsContact O-N 3.17Å; G645-Y649 WeakPolarHBondContact O-CB 3.39Å; G645-Y649 PolarHBondContact O-N 3.13Å; G645-A662 VanDerWaalsContact O-CB 3.31Å; G645-A662 WeakPolarHBondContact O-CB 3.14Å; G645-F666 VanDerWaalsContact C-CE2 3.47Å; G645-F666 WeakPolarHBondContact O-CE2 3.43Å
646	T	82.4	Confident	79.4	Confident	28 Å²	28	39.1 Å²	39.1	17%	0.172	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-46.2	176.3	-52.4	0	0	0	0	112.1	R642 R643 L644 Y649 W650	R642-T646 PolarHBondContact O-N 3.2Å; R642-T646 PolarHBondContact O-OG1 3.04Å; R643-T646 PolarHBondContact O-N 3.18Å; L644-T646 VanDerWaalsContact C-N 3.32Å; L644-T646 PolarHBondContact O-N 3.44Å; T646-Y649 PolarHBondContact O-N 3.37Å; T646-W650 PolarHBondContact O-N 3.16Å
647	M	80.9	Confident	79.1	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-45.9	-180	-72.9	174.2	70.9	0	0	112.1	M619 F626 L629 R643 L644 G651 Q652 N653 V655	M619-M647 HydrophobicContact CE-CE 3.92Å; M619-M647 HydrophobicContact CE-SD 4.46Å; M619-M647 HydrophobicContact SD-CE 4.39Å; F626-M647 HydrophobicContact CD2-CE 3.99Å; F626-M647 HydrophobicContact CE2-CE 4.31Å; L629-M647 HydrophobicContact CD2-SD 3.63Å; R643-M647 HydrophobicContact CG-SD 4.1Å; R643-M647 WeakPolarHBondContact O-CB 3.31Å; R643-M647 VanDerWaalsContact O-CG 3.22Å; R643-M647 WeakPolarHBondContact O-CG 3.47Å; R643-M647 PolarHBondContact O-N 3.04Å; L644-M647 PolarHBondContact O-N 2.9Å; M647-G651 CarbonylContact O-C 3.46Å; M647-G651 WeakPolarHBondContact O-CA 3.26Å; M647-G651 PolarHBondContact O-N 2.57Å; M647-Q652 HydrophobicContact CG-CB 4.28Å; M647-Q652 PolarHBondContact O-N 3.48Å; M647-Q652 VanDerWaalsContact O-N 3.11Å; M647-N653 HydrophobicContact CE-CB 4.15Å; M647-V655 HydrophobicContact CE-CG2 3.68Å
648	F	84.3	Confident	78.9	Confident	24 Å²	24	39.5 Å²	39.5	11%	0.105	19%	0.194	C	C	.	.	H	α-helix	trans	-70.8	-31.4	175.1	-75.7	-61.1	0	0	0	112.9	F626 L644 V655 K657 D658 A662 W665	F626-F648 HydrophobicContact CE2-CZ 4.48Å; F626-F648 HydrophobicContact CZ-CE2 4.34Å; F626-F648 AromaticContact CZ-CZ 3.82Å; F626-F648 HydrophobicContact CZ-CZ 3.82Å; L644-F648 HydrophobicContact CB-CD2 4.4Å; L644-F648 HydrophobicContact CB-CE2 4.48Å; L644-F648 HydrophobicContact CD2-CE2 4.49Å; L644-F648 WeakPolarHBondContact O-CB 3.47Å; L644-F648 VanDerWaalsContact O-CD2 3.22Å; L644-F648 WeakPolarHBondContact O-CD2 3.28Å; L644-F648 PolarHBondContact O-N 3.28Å; F648-V655 HydrophobicContact CD1-CG1 3.64Å; F648-V655 HydrophobicContact CE1-CG1 3.62Å; F648-V655 HydrophobicContact CG-CG1 4.46Å; F648-V655 HydrophobicContact CZ-CG1 4.44Å; F648-K657 CarbonylContact O-C 3.53Å; F648-K657 VanDerWaalsContact O-CA 3.28Å; F648-K657 WeakPolarHBondContact O-CA 3.13Å; F648-D658 WeakPolarHBondContact CB-O 3.37Å; F648-D658 HydrophobicContact CD1-CB 4.08Å; F648-D658 CarbonylContact O-C 2.94Å; F648-D658 PolarHBondContact O-N 3.46Å; F648-A662 HydrophobicContact CB-CB 3.85Å; F648-W665 AromaticContact CD2-CD1 3.84Å; F648-W665 AromaticContact CE2-NE1 3.74Å
649	Y	78.5	Confident	78.9	Confident	18 Å²	18	40 Å²	40	7%	0.071	20%	0.197	C	C	.	.	H	α-helix	trans	-73	-39.2	180	-173.7	-92.7	0	0	0	112.7	I596 G645 T646 K657 A662 F666 L685 Q690	I596-Y649 HydrophobicContact CG2-CE1 4Å; G645-Y649 WeakPolarHBondContact O-CB 3.39Å; G645-Y649 PolarHBondContact O-N 3.13Å; T646-Y649 PolarHBondContact O-N 3.37Å; Y649-K657 WeakPolarHBondContact O-CD 3.49Å; Y649-K657 WeakPolarHBondContact O-CE 3.3Å; Y649-K657 WeakPolarHBondContact O-CG 3.32Å; Y649-A662 HydrophobicContact CD2-CB 4.42Å; Y649-F666 HydrophobicContact CD2-CE2 4.41Å; Y649-F666 HydrophobicContact CG-CE2 4.34Å; Y649-L685 HydrophobicContact CD2-CD2 4.2Å; Y649-L685 HydrophobicContact CE2-CD2 3.6Å; Y649-Q690 PolarHBondContact OH-OE1 2.89Å
650	W	72.7	Confident	79.1	Confident	89 Å²	89	36.6 Å²	36.6	34%	0.337	19%	0.189	S	C	.	.	H	α-helix	trans	-100.1	-14.7	-178.3	-64.2	112.2	0	0	0	114	I596 Y602 T646 Q652	I596-W650 HydrophobicContact CD1-CH2 4Å; I596-W650 HydrophobicContact CG1-CH2 4.19Å; I596-W650 HydrophobicContact CG1-CZ3 4.37Å; I596-W650 HydrophobicContact CG2-CH2 4.2Å; I596-W650 HydrophobicContact CG2-CZ3 3.93Å; Y602-W650 VanDerWaalsContact CD1-O 3.24Å; Y602-W650 WeakPolarHBondContact CD1-O 3.48Å; T646-W650 PolarHBondContact O-N 3.16Å; W650-Q652 HydrophobicContact CB-CG 3.86Å
651	G	72.6	Confident	79.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	52.5	-171.8	0	0	0	0	0	112.4	M647 V655 R828	M647-G651 CarbonylContact O-C 3.46Å; M647-G651 WeakPolarHBondContact O-CA 3.26Å; M647-G651 PolarHBondContact O-N 2.57Å; G651-V655 CarbonylContact C-O 3.59Å; G651-V655 VanDerWaalsContact C-O 3.31Å; G651-V655 WeakPolarHBondContact CA-O 3.31Å; G651-R828 PolarHBondContact O-NH1 3.14Å
652	Q	68.2	Low	79.2	Confident	48 Å²	48	36.9 Å²	36.9	22%	0.224	19%	0.192	C	C	.	.			trans	-89.1	157.2	-175.3	-74.3	171	-19.1	0	0	113.7	H605 M647 W650 G654 V655	H605-Q652 WeakPolarHBondContact NE2-CA 3.3Å; M647-Q652 HydrophobicContact CG-CB 4.28Å; M647-Q652 PolarHBondContact O-N 3.48Å; M647-Q652 VanDerWaalsContact O-N 3.11Å; W650-Q652 HydrophobicContact CB-CG 3.86Å; Q652-G654 PolarHBondContact O-N 3.23Å; Q652-V655 WeakPolarHBondContact O-CB 3.39Å; Q652-V655 PolarHBondContact O-N 2.75Å; Q652-V655 VanDerWaalsContact O-N 3.11Å
653	N	65.7	Low	79.4	Confident	49 Å²	49	33.6 Å²	33.6	26%	0.262	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	5.4	174.6	-60.1	17.5	0	0	0	117.2	H605 M619 M647	H605-N653 PolarHBondContact NE2-N 3.21Å; M619-N653 CarbonylContact C-O 3.57Å; M619-N653 VanDerWaalsContact C-O 3.29Å; M619-N653 HydrophobicContact CB-CB 3.93Å; M619-N653 HydrophobicContact CG-CB 4.35Å; M619-N653 PolarHBondContact N-O 3.02Å; M619-N653 VanDerWaalsContact O-O 3.11Å; M619-N653 HydrophobicContact SD-CB 4.33Å; M619-N653 PolarHBondContact SD-ND2 2.83Å; M619-N653 VanDerWaalsContact SD-ND2 3.44Å; M647-N653 HydrophobicContact CE-CB 4.15Å
654	G	63.6	Low	79.8	Confident	28 Å²	28	33.6 Å²	33.6	29%	0.289	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	128.1	-26.4	-176.6	0	0	0	0	0	112.9	Q652 R828	Q652-G654 PolarHBondContact O-N 3.23Å; G654-R828 PolarHBondContact O-NH2 3.03Å
655	V	73.8	Confident	80	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.			trans	-65.6	145.1	-177.7	-178.7	0	0	0	0	112.2	E621 F626 M647 F648 G651 Q652 R828	E621-V655 HydrophobicContact CG-CB 4.32Å; E621-V655 HydrophobicContact CG-CG1 4.03Å; E621-V655 HydrophobicContact CG-CG2 4.02Å; F626-V655 HydrophobicContact CD2-CG2 3.75Å; F626-V655 HydrophobicContact CE2-CG1 4.32Å; F626-V655 HydrophobicContact CE2-CG2 3.6Å; F626-V655 HydrophobicContact CZ-CG2 4.45Å; M647-V655 HydrophobicContact CE-CG2 3.68Å; F648-V655 HydrophobicContact CD1-CG1 3.64Å; F648-V655 HydrophobicContact CE1-CG1 3.62Å; F648-V655 HydrophobicContact CG-CG1 4.46Å; F648-V655 HydrophobicContact CZ-CG1 4.44Å; G651-V655 CarbonylContact C-O 3.59Å; G651-V655 VanDerWaalsContact C-O 3.31Å; G651-V655 WeakPolarHBondContact CA-O 3.31Å; Q652-V655 WeakPolarHBondContact O-CB 3.39Å; Q652-V655 PolarHBondContact O-N 2.75Å; Q652-V655 VanDerWaalsContact O-N 3.11Å; V655-R828 PolarHBondContact O-NH1 3.41Å; V655-R828 PolarHBondContact O-NH2 2.86Å
656	S	73.4	Confident	80.2	Confident	70 Å²	70	35 Å²	35	49%	0.49	19%	0.189	S	C	.	.			trans	-76.9	150.4	178.1	-69.5	0	0	0	0	112.4	E621 D658	E621-S656 PolarHBondContact OE1-N 2.99Å; S656-D658 PolarHBondContact O-N 2.9Å; S656-D658 VanDerWaalsContact O-N 3.16Å
657	K	77.3	Confident	80.6	Confident	40 Å²	40	36.6 Å²	36.6	17%	0.174	19%	0.194	C	C	.	.			trans	-74.8	104.8	178.5	179.9	167.2	176	172.8	0	111.3	I596 Y602 F648 Y649 I659	I596-K657 PolarHBondContact O-NZ 2.84Å; Y602-K657 HydrophobicContact CE1-CB 4.33Å; F648-K657 CarbonylContact O-C 3.53Å; F648-K657 VanDerWaalsContact O-CA 3.28Å; F648-K657 WeakPolarHBondContact O-CA 3.13Å; Y649-K657 WeakPolarHBondContact O-CD 3.49Å; Y649-K657 WeakPolarHBondContact O-CE 3.3Å; Y649-K657 WeakPolarHBondContact O-CG 3.32Å; K657-I659 HydrophobicContact CG-CG1 4.38Å
658	D	83.8	Confident	81	Confident	59 Å²	59	42.6 Å²	42.6	32%	0.316	22%	0.217	S	C	.	.			trans	-119	97.2	171.7	-178.7	-1.6	0	0	0	111.1	F648 S656 A660 S661 A662	F648-D658 WeakPolarHBondContact CB-O 3.37Å; F648-D658 HydrophobicContact CD1-CB 4.08Å; F648-D658 CarbonylContact O-C 2.94Å; F648-D658 PolarHBondContact O-N 3.46Å; S656-D658 PolarHBondContact O-N 2.9Å; S656-D658 VanDerWaalsContact O-N 3.16Å; D658-A660 PolarHBondContact O-N 2.95Å; D658-A660 WeakPolarHBondContact OD1-CA 3.38Å; D658-A660 WeakPolarHBondContact OD1-CB 3.25Å; D658-A660 PolarHBondContact OD1-N 3.41Å; D658-S661 PolarHBondContact O-N 3.22Å; D658-S661 PolarHBondContact OD1-N 3.31Å; D658-S661 WeakPolarHBondContact OD2-CB 3.41Å; D658-S661 PolarHBondContact OD2-N 2.97Å; D658-S661 PolarHBondContact OD2-OG 3.25Å; D658-A662 VanDerWaalsContact O-CB 3.31Å; D658-A662 WeakPolarHBondContact O-CB 3.5Å; D658-A662 PolarHBondContact O-N 3.36Å
659	I	82.8	Confident	81.1	Confident	47 Å²	47	41.4 Å²	41.4	24%	0.241	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-30.2	178.7	-55.4	174.8	0	0	0	111.5	K657 V663	K657-I659 HydrophobicContact CG-CG1 4.38Å; I659-V663 VanDerWaalsContact O-CB 3.31Å; I659-V663 WeakPolarHBondContact O-CB 3.16Å; I659-V663 VanDerWaalsContact O-CG2 3.25Å; I659-V663 WeakPolarHBondContact O-CG2 3.43Å; I659-V663 PolarHBondContact O-N 3.17Å
660	A	86.3	Confident	81.5	Confident	48 Å²	48	40.7 Å²	40.7	40%	0.397	21%	0.209	S	C	.	.	H	α-helix	trans	-75.6	-38.4	-178.3	0	0	0	0	0	111.9	D658 K664	D658-A660 PolarHBondContact O-N 2.95Å; D658-A660 WeakPolarHBondContact OD1-CA 3.38Å; D658-A660 WeakPolarHBondContact OD1-CB 3.25Å; D658-A660 PolarHBondContact OD1-N 3.41Å; A660-K664 WeakPolarHBondContact O-CG 3.29Å; A660-K664 PolarHBondContact O-N 3.19Å
661	S	87.5	Confident	82.2	Confident	28 Å²	28	42.6 Å²	42.6	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-71.9	-40	171.4	-66	0	0	0	0	111.8	D658 V663 K664 W665	D658-S661 PolarHBondContact O-N 3.22Å; D658-S661 PolarHBondContact OD1-N 3.31Å; D658-S661 WeakPolarHBondContact OD2-CB 3.41Å; D658-S661 PolarHBondContact OD2-N 2.97Å; D658-S661 PolarHBondContact OD2-OG 3.25Å; S661-V663 VanDerWaalsContact C-N 3.35Å; S661-V663 PolarHBondContact O-N 2.93Å; S661-K664 PolarHBondContact O-N 3.49Å; S661-W665 PolarHBondContact O-N 3.49Å
662	A	88.9	Confident	82.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54.5	-49.4	172.6	0	0	0	0	0	112.4	G645 F648 Y649 D658 K664 W665 F666	G645-A662 VanDerWaalsContact O-CB 3.31Å; G645-A662 WeakPolarHBondContact O-CB 3.14Å; F648-A662 HydrophobicContact CB-CB 3.85Å; Y649-A662 HydrophobicContact CD2-CB 4.42Å; D658-A662 VanDerWaalsContact O-CB 3.31Å; D658-A662 WeakPolarHBondContact O-CB 3.5Å; D658-A662 PolarHBondContact O-N 3.36Å; A662-K664 VanDerWaalsContact C-N 3.33Å; A662-K664 PolarHBondContact O-N 3.19Å; A662-W665 PolarHBondContact O-N 3.36Å; A662-W665 VanDerWaalsContact O-N 3.15Å; A662-F666 HydrophobicContact CB-CD2 4.29Å; A662-F666 HydrophobicContact CB-CE2 4.14Å; A662-F666 WeakPolarHBondContact O-CD2 3.47Å; A662-F666 PolarHBondContact O-N 3.27Å
663	V	89.7	Confident	83.3	Confident	10 Å²	10	47.1 Å²	47.1	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-52.7	-46.8	175.7	151.5	0	0	0	0	112.3	I659 S661 W665 F666 E667 L685 Q690 V692	I659-V663 VanDerWaalsContact O-CB 3.31Å; I659-V663 WeakPolarHBondContact O-CB 3.16Å; I659-V663 VanDerWaalsContact O-CG2 3.25Å; I659-V663 WeakPolarHBondContact O-CG2 3.43Å; I659-V663 PolarHBondContact O-N 3.17Å; S661-V663 VanDerWaalsContact C-N 3.35Å; S661-V663 PolarHBondContact O-N 2.93Å; V663-W665 VanDerWaalsContact C-N 3.31Å; V663-W665 PolarHBondContact O-N 3.48Å; V663-F666 PolarHBondContact O-N 3.15Å; V663-E667 WeakPolarHBondContact O-CB 3.33Å; V663-E667 PolarHBondContact O-N 3Å; V663-L685 HydrophobicContact CG2-CD1 4.04Å; V663-Q690 WeakPolarHBondContact CG2-O 3.29Å; V663-V692 HydrophobicContact CB-CG1 4.24Å; V663-V692 HydrophobicContact CG1-CG1 3.26Å; V663-V692 HydrophobicContact CG2-CG1 3.89Å
664	K	90.4	Very high	84.1	Confident	116 Å²	116	51.7 Å²	51.7	50%	0.504	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-38.6	-179.7	-69.5	166.6	-173.8	166.8	0	111.7	A660 S661 A662 R668	A660-K664 WeakPolarHBondContact O-CG 3.29Å; A660-K664 PolarHBondContact O-N 3.19Å; S661-K664 PolarHBondContact O-N 3.49Å; A662-K664 VanDerWaalsContact C-N 3.33Å; A662-K664 PolarHBondContact O-N 3.19Å; K664-R668 WeakPolarHBondContact O-CB 3.37Å; K664-R668 WeakPolarHBondContact O-CD 3.16Å; K664-R668 WeakPolarHBondContact O-CG 3.46Å; K664-R668 PolarHBondContact O-N 3.21Å
665	W	91.2	Very high	85.1	Confident	24 Å²	24	51.6 Å²	51.6	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-72.7	-43.9	178.9	-69.5	122.9	0	0	0	112.5	A633 E634 Q641 L644 F648 S661 A662 V663 R668 S669	A633-W665 HydrophobicContact CB-CE3 4.33Å; A633-W665 HydrophobicContact CB-CH2 4.17Å; A633-W665 HydrophobicContact CB-CZ3 3.89Å; E634-W665 HydrophobicContact CG-CH2 3.85Å; Q641-W665 HydrophobicContact CB-CE3 4.45Å; Q641-W665 HydrophobicContact CG-CE3 3.93Å; Q641-W665 HydrophobicContact CG-CZ3 4.15Å; L644-W665 HydrophobicContact CB-CG 4.28Å; L644-W665 HydrophobicContact CD1-CZ2 4.37Å; F648-W665 AromaticContact CD2-CD1 3.84Å; F648-W665 AromaticContact CE2-NE1 3.74Å; S661-W665 PolarHBondContact O-N 3.49Å; A662-W665 PolarHBondContact O-N 3.36Å; A662-W665 VanDerWaalsContact O-N 3.15Å; V663-W665 VanDerWaalsContact C-N 3.31Å; V663-W665 PolarHBondContact O-N 3.48Å; W665-R668 VanDerWaalsContact CZ3-NH1 3.34Å; W665-R668 PolarHBondContact O-N 3.48Å; W665-S669 PolarHBondContact O-N 2.95Å
666	F	89.9	Confident	85.9	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-42.1	173	-71	-57.5	0	0	0	112.3	R642 G645 Y649 A662 V663 S669 A670 D681 L685	R642-F666 HydrophobicContact CG-CE1 4.36Å; G645-F666 VanDerWaalsContact C-CE2 3.47Å; G645-F666 WeakPolarHBondContact O-CE2 3.43Å; Y649-F666 HydrophobicContact CD2-CE2 4.41Å; Y649-F666 HydrophobicContact CG-CE2 4.34Å; A662-F666 HydrophobicContact CB-CD2 4.29Å; A662-F666 HydrophobicContact CB-CE2 4.14Å; A662-F666 WeakPolarHBondContact O-CD2 3.47Å; A662-F666 PolarHBondContact O-N 3.27Å; V663-F666 PolarHBondContact O-N 3.15Å; F666-S669 PolarHBondContact O-N 3.49Å; F666-A670 WeakPolarHBondContact O-CB 3.42Å; F666-A670 PolarHBondContact O-N 2.89Å; F666-D681 HydrophobicContact CD1-CB 3.84Å; F666-D681 HydrophobicContact CE1-CB 3.92Å; F666-D681 WeakPolarHBondContact CE1-OD2 3.5Å; F666-D681 HydrophobicContact CG-CB 4.38Å; F666-D681 HydrophobicContact CZ-CB 4.49Å; F666-L685 HydrophobicContact CB-CD1 4.04Å; F666-L685 HydrophobicContact CD2-CD1 3.53Å; F666-L685 HydrophobicContact CE2-CD1 4.25Å; F666-L685 HydrophobicContact CG-CD1 4.08Å
667	E	90.8	Very high	86.6	Confident	60 Å²	60	52 Å²	52	28%	0.28	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-48.8	175.4	-178.8	167.2	-119.9	0	0	111.7	V663 S669 A670 M671 Y682	V663-E667 WeakPolarHBondContact O-CB 3.33Å; V663-E667 PolarHBondContact O-N 3Å; E667-S669 PolarHBondContact O-N 3.4Å; E667-A670 PolarHBondContact O-N 3.36Å; E667-M671 HydrophobicContact CG-CE 3.61Å; E667-M671 HydrophobicContact CG-SD 4.26Å; E667-M671 WeakPolarHBondContact O-CB 3.06Å; E667-M671 VanDerWaalsContact O-CG 3.28Å; E667-M671 WeakPolarHBondContact O-CG 3.31Å; E667-M671 PolarHBondContact O-N 2.86Å; E667-Y682 HydrophobicContact CB-CD2 3.82Å; E667-Y682 HydrophobicContact CB-CE2 3.47Å; E667-Y682 VanDerWaalsContact CB-CE2 3.47Å; E667-Y682 HydrophobicContact CG-CD2 4.44Å; E667-Y682 HydrophobicContact CG-CE1 4.41Å; E667-Y682 HydrophobicContact CG-CE2 3.71Å; E667-Y682 PolarHBondContact OE1-OH 3.37Å
668	R	89.3	Confident	87.1	Confident	129 Å²	129	50 Å²	50	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-58.6	-45.8	177.3	-77.5	170	174.1	-165.4	-4.4	112.3	K664 W665	K664-R668 WeakPolarHBondContact O-CB 3.37Å; K664-R668 WeakPolarHBondContact O-CD 3.16Å; K664-R668 WeakPolarHBondContact O-CG 3.46Å; K664-R668 PolarHBondContact O-N 3.21Å; W665-R668 VanDerWaalsContact CZ3-NH1 3.34Å; W665-R668 PolarHBondContact O-N 3.48Å
669	S	87.1	Confident	87.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69	-43.8	179.7	-171.7	0	0	0	0	111.6	W665 F666 E667 M671 Q672 A678	W665-S669 PolarHBondContact O-N 2.95Å; F666-S669 PolarHBondContact O-N 3.49Å; E667-S669 PolarHBondContact O-N 3.4Å; S669-M671 VanDerWaalsContact C-N 3.35Å; S669-M671 PolarHBondContact O-N 2.83Å; S669-Q672 WeakPolarHBondContact O-CB 3.38Å; S669-Q672 PolarHBondContact O-N 3.45Å; S669-Q672 VanDerWaalsContact O-N 3.16Å; S669-A678 VanDerWaalsContact OG-CB 3.26Å; S669-A678 WeakPolarHBondContact OG-CB 3.08Å
670	A	87.5	Confident	87.9	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-37.5	176.4	0	0	0	0	0	113.3	F666 E667 Q672 M673 V679 Y682	F666-A670 WeakPolarHBondContact O-CB 3.42Å; F666-A670 PolarHBondContact O-N 2.89Å; E667-A670 PolarHBondContact O-N 3.36Å; A670-Q672 PolarHBondContact O-N 2.87Å; A670-M673 PolarHBondContact O-N 3.16Å; A670-M673 VanDerWaalsContact O-N 3.09Å; A670-V679 HydrophobicContact CB-CG2 4.28Å; A670-Y682 HydrophobicContact CB-CD1 3.85Å; A670-Y682 HydrophobicContact CB-CG 3.99Å
671	M	86.6	Confident	88	Confident	129 Å²	129	46.5 Å²	46.5	64%	0.635	22%	0.217	S	C	*	.	H	α-helix	trans	-61.4	-25.6	177.3	-80.3	-178.1	-179.9	0	0	113.1	E667 S669 M673	E667-M671 HydrophobicContact CG-CE 3.61Å; E667-M671 HydrophobicContact CG-SD 4.26Å; E667-M671 WeakPolarHBondContact O-CB 3.06Å; E667-M671 VanDerWaalsContact O-CG 3.28Å; E667-M671 WeakPolarHBondContact O-CG 3.31Å; E667-M671 PolarHBondContact O-N 2.86Å; S669-M671 VanDerWaalsContact C-N 3.35Å; S669-M671 PolarHBondContact O-N 2.83Å; M671-M673 VanDerWaalsContact C-N 3.29Å; M671-M673 PolarHBondContact O-N 2.74Å
672	Q	81.4	Confident	88.1	Confident	68 Å²	68	45.7 Å²	45.7	32%	0.318	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.8	177.1	-59	-163.1	50.7	0	0	113.6	G636 L638 S669 A670 K674	G636-Q672 PolarHBondContact O-NE2 3.12Å; L638-Q672 HydrophobicContact CD2-CB 3.78Å; L638-Q672 VanDerWaalsContact CD2-CD 3.43Å; L638-Q672 HydrophobicContact CD2-CG 3.98Å; S669-Q672 WeakPolarHBondContact O-CB 3.38Å; S669-Q672 PolarHBondContact O-N 3.45Å; S669-Q672 VanDerWaalsContact O-N 3.16Å; A670-Q672 PolarHBondContact O-N 2.87Å; Q672-K674 PolarHBondContact O-N 3.39Å; Q672-K674 VanDerWaalsContact O-N 3.15Å
673	M	82.1	Confident	88.3	Confident	75 Å²	75	45.7 Å²	45.7	37%	0.369	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	32.1	176.5	-62	-81.4	162.8	0	0	114.6	A670 M671 V679 L702 K705 M709	A670-M673 PolarHBondContact O-N 3.16Å; A670-M673 VanDerWaalsContact O-N 3.09Å; M671-M673 VanDerWaalsContact C-N 3.29Å; M671-M673 PolarHBondContact O-N 2.74Å; M673-V679 HydrophobicContact SD-CG2 4.25Å; M673-L702 HydrophobicContact CE-CD2 3.56Å; M673-K705 HydrophobicContact SD-CD 4.11Å; M673-M709 VanDerWaalsContact O-CE 3.26Å; M673-M709 WeakPolarHBondContact O-CE 3.38Å
674	K	83.7	Confident	88.3	Confident	146 Å²	146	46.8 Å²	46.8	64%	0.635	22%	0.215	S	C	*	.			trans	-112.6	-39.4	-179.5	-76.1	170	-179.2	175.3	0	113.2	L638 Q672	L638-K674 HydrophobicContact CD1-CB 3.49Å; L638-K674 VanDerWaalsContact CD1-CB 3.49Å; L638-K674 HydrophobicContact CD1-CD 3.8Å; L638-K674 HydrophobicContact CD1-CG 4.33Å; Q672-K674 PolarHBondContact O-N 3.39Å; Q672-K674 VanDerWaalsContact O-N 3.15Å
675	D	84.4	Confident	88.2	Confident	25 Å²	25	41.5 Å²	41.5	13%	0.134	19%	0.192	C	C	.	.			trans	-92.5	113.6	175.6	-178.5	-22.1	0	0	0	109.2	R642 E677 A678 V679	R642-D675 VanDerWaalsContact CD-OD2 3.26Å; R642-D675 WeakPolarHBondContact CD-OD2 3.15Å; R642-D675 IonicContact NE-OD2 3.38Å; R642-D675 PolarHBondContact NE-OD2 3.44Å; R642-D675 VanDerWaalsContact NE-OD2 3.14Å; D675-E677 VanDerWaalsContact C-N 3.32Å; D675-E677 PolarHBondContact O-N 3.06Å; D675-E677 WeakPolarHBondContact OD1-CA 3.26Å; D675-E677 WeakPolarHBondContact OD1-CB 3.25Å; D675-E677 PolarHBondContact OD1-N 2.98Å; D675-A678 HydrophobicContact CB-CB 3.85Å; D675-A678 PolarHBondContact OD1-N 3.31Å; D675-V679 WeakPolarHBondContact O-CG2 3.45Å; D675-V679 PolarHBondContact O-N 3.11Å
676	P	90.2	Very high	88.2	Confident	32 Å²	32	40.7 Å²	40.7	21%	0.208	19%	0.189	C	C	.	.	H	α-helix	trans	-69.7	-28.1	-178	31.6	-36.7	0	0	0	112.7	Y680 A706 M709	P676-Y680 PolarHBondContact O-N 3.46Å; P676-A706 WeakPolarHBondContact O-CB 3.18Å; P676-M709 HydrophobicContact CB-CB 3.75Å; P676-M709 HydrophobicContact CB-CE 4.18Å
677	E	88.6	Confident	88	Confident	46 Å²	46	40.9 Å²	40.9	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-77	-38.9	177.8	-66.2	-58.5	129.5	0	0	111	D675 V679 Y680 D681 S711 N713	D675-E677 VanDerWaalsContact C-N 3.32Å; D675-E677 PolarHBondContact O-N 3.06Å; D675-E677 WeakPolarHBondContact OD1-CA 3.26Å; D675-E677 WeakPolarHBondContact OD1-CB 3.25Å; D675-E677 PolarHBondContact OD1-N 2.98Å; E677-V679 VanDerWaalsContact C-N 3.32Å; E677-V679 PolarHBondContact O-N 2.85Å; E677-Y680 CarbonylContact O-C 3.57Å; E677-Y680 WeakPolarHBondContact O-CA 3.48Å; E677-Y680 WeakPolarHBondContact O-CB 3.14Å; E677-Y680 PolarHBondContact O-N 2.8Å; E677-Y680 VanDerWaalsContact O-N 3.12Å; E677-D681 PolarHBondContact O-N 3.1Å; E677-S711 WeakPolarHBondContact OE1-CA 3.21Å; E677-S711 WeakPolarHBondContact OE1-CB 3.5Å; E677-S711 PolarHBondContact OE1-OG 3.11Å; E677-N713 PolarHBondContact OE2-ND2 3.04Å
678	A	86	Confident	87.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-39	172.9	0	0	0	0	0	112.5	S669 D675 Y680 Y682	S669-A678 VanDerWaalsContact OG-CB 3.26Å; S669-A678 WeakPolarHBondContact OG-CB 3.08Å; D675-A678 HydrophobicContact CB-CB 3.85Å; D675-A678 PolarHBondContact OD1-N 3.31Å; A678-Y680 VanDerWaalsContact C-N 3.33Å; A678-Y682 PolarHBondContact O-N 3.11Å; A678-Y682 VanDerWaalsContact O-N 3.12Å
679	V	91.7	Very high	87.4	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-38.7	173.2	177.6	0	0	0	0	111	A670 M673 D675 E677 S683 L702 A706	A670-V679 HydrophobicContact CB-CG2 4.28Å; M673-V679 HydrophobicContact SD-CG2 4.25Å; D675-V679 WeakPolarHBondContact O-CG2 3.45Å; D675-V679 PolarHBondContact O-N 3.11Å; E677-V679 VanDerWaalsContact C-N 3.32Å; E677-V679 PolarHBondContact O-N 2.85Å; V679-S683 WeakPolarHBondContact O-CB 3.42Å; V679-S683 PolarHBondContact O-N 3.29Å; V679-S683 VanDerWaalsContact O-N 3.08Å; V679-L702 HydrophobicContact CG1-CB 4.17Å; V679-L702 HydrophobicContact CG1-CD2 4.23Å; V679-A706 HydrophobicContact CB-CB 4.17Å; V679-A706 HydrophobicContact CG1-CB 3.98Å
680	Y	91.8	Very high	87.1	Confident	34 Å²	34	38.5 Å²	38.5	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-53.9	173	167.7	-102.7	0	0	0	112	P676 E677 A678 Y682 S683 I684 L703 N713 A714	P676-Y680 PolarHBondContact O-N 3.46Å; E677-Y680 CarbonylContact O-C 3.57Å; E677-Y680 WeakPolarHBondContact O-CA 3.48Å; E677-Y680 WeakPolarHBondContact O-CB 3.14Å; E677-Y680 PolarHBondContact O-N 2.8Å; E677-Y680 VanDerWaalsContact O-N 3.12Å; A678-Y680 VanDerWaalsContact C-N 3.33Å; Y680-Y682 PolarHBondContact O-N 3.27Å; Y680-S683 WeakPolarHBondContact O-CA 3.23Å; Y680-S683 VanDerWaalsContact O-CB 3.31Å; Y680-S683 WeakPolarHBondContact O-CB 3.36Å; Y680-S683 PolarHBondContact O-N 3.04Å; Y680-S683 PolarHBondContact O-OG 3.08Å; Y680-I684 HydrophobicContact CD2-CD1 4.45Å; Y680-I684 HydrophobicContact CD2-CG1 4.09Å; Y680-I684 HydrophobicContact CE1-CG1 4.14Å; Y680-I684 HydrophobicContact CE2-CD1 3.75Å; Y680-I684 HydrophobicContact CE2-CG1 3.61Å; Y680-I684 WeakPolarHBondContact O-CG1 3.34Å; Y680-I684 PolarHBondContact O-N 2.98Å; Y680-L703 HydrophobicContact CD2-CD1 3.64Å; Y680-L703 HydrophobicContact CE2-CD1 3.89Å; Y680-N713 HydrophobicContact CD1-CB 3.8Å; Y680-N713 HydrophobicContact CD2-CB 4.32Å; Y680-N713 HydrophobicContact CE1-CB 3.53Å; Y680-N713 HydrophobicContact CE2-CB 4.08Å; Y680-N713 WeakPolarHBondContact CE2-O 3.26Å; Y680-N713 HydrophobicContact CG-CB 4.18Å; Y680-A714 HydrophobicContact CD2-CB 3.82Å; Y680-A714 HydrophobicContact CG-CB 4.42Å
681	D	88.6	Confident	86.7	Confident	45 Å²	45	41 Å²	41	24%	0.241	22%	0.217	C	C	.	.	H	α-helix	trans	-55.6	-50	-177.8	-77.2	-30	0	0	0	111.4	F666 E677 S683 I684 L685	F666-D681 HydrophobicContact CD1-CB 3.84Å; F666-D681 HydrophobicContact CE1-CB 3.92Å; F666-D681 WeakPolarHBondContact CE1-OD2 3.5Å; F666-D681 HydrophobicContact CG-CB 4.38Å; F666-D681 HydrophobicContact CZ-CB 4.49Å; E677-D681 PolarHBondContact O-N 3.1Å; D681-S683 VanDerWaalsContact C-N 3.3Å; D681-S683 PolarHBondContact O-N 3.33Å; D681-I684 PolarHBondContact O-N 2.72Å; D681-I684 VanDerWaalsContact O-N 3.14Å; D681-L685 WeakPolarHBondContact O-CG 3.49Å; D681-L685 PolarHBondContact O-N 3.46Å
682	Y	91.4	Very high	86.7	Confident	12 Å²	12	36.2 Å²	36.2	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-33.2	176.9	-177.5	-112.4	0	0	0	112.7	E667 A670 A678 Y680 I684 L685 L686 V692 L702	E667-Y682 HydrophobicContact CB-CD2 3.82Å; E667-Y682 HydrophobicContact CB-CE2 3.47Å; E667-Y682 VanDerWaalsContact CB-CE2 3.47Å; E667-Y682 HydrophobicContact CG-CD2 4.44Å; E667-Y682 HydrophobicContact CG-CE1 4.41Å; E667-Y682 HydrophobicContact CG-CE2 3.71Å; E667-Y682 PolarHBondContact OE1-OH 3.37Å; A670-Y682 HydrophobicContact CB-CD1 3.85Å; A670-Y682 HydrophobicContact CB-CG 3.99Å; A678-Y682 PolarHBondContact O-N 3.11Å; A678-Y682 VanDerWaalsContact O-N 3.12Å; Y680-Y682 PolarHBondContact O-N 3.27Å; Y682-I684 VanDerWaalsContact C-N 3.35Å; Y682-I684 PolarHBondContact O-N 2.04Å; Y682-L685 PolarHBondContact O-N 3.01Å; Y682-L686 HydrophobicContact CD1-CD1 3.93Å; Y682-L686 HydrophobicContact CE1-CD1 3.44Å; Y682-L686 VanDerWaalsContact CE1-CD1 3.44Å; Y682-L686 HydrophobicContact CE1-CG 4.14Å; Y682-L686 HydrophobicContact CE2-CD1 4.48Å; Y682-L686 HydrophobicContact CE2-CG 4.31Å; Y682-L686 WeakPolarHBondContact O-CG 3.1Å; Y682-L686 PolarHBondContact O-N 3.19Å; Y682-V692 HydrophobicContact CE2-CG1 4.49Å; Y682-L702 HydrophobicContact CD1-CD1 3.76Å; Y682-L702 HydrophobicContact CE1-CD1 3.92Å
683	S	92.5	Very high	87.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-41.3	172.7	84.7	0	0	0	0	112.3	V679 Y680 D681 L686 M687 G699	V679-S683 WeakPolarHBondContact O-CB 3.42Å; V679-S683 PolarHBondContact O-N 3.29Å; V679-S683 VanDerWaalsContact O-N 3.08Å; Y680-S683 WeakPolarHBondContact O-CA 3.23Å; Y680-S683 VanDerWaalsContact O-CB 3.31Å; Y680-S683 WeakPolarHBondContact O-CB 3.36Å; Y680-S683 PolarHBondContact O-N 3.04Å; Y680-S683 PolarHBondContact O-OG 3.08Å; D681-S683 VanDerWaalsContact C-N 3.3Å; D681-S683 PolarHBondContact O-N 3.33Å; S683-L686 PolarHBondContact O-N 3.1Å; S683-M687 VanDerWaalsContact O-CG 3.26Å; S683-M687 WeakPolarHBondContact O-CG 3.11Å; S683-M687 PolarHBondContact O-N 3.47Å; S683-G699 WeakPolarHBondContact CB-O 3.39Å
684	I	89.1	Confident	87.5	Confident	32 Å²	32	45.8 Å²	45.8	16%	0.164	23%	0.229	C	C	.	.	H	α-helix	trans	-69.1	-40.8	177.8	-63.4	-57	0	0	0	111	Y680 D681 Y682 L686 M687 K688	Y680-I684 HydrophobicContact CD2-CD1 4.45Å; Y680-I684 HydrophobicContact CD2-CG1 4.09Å; Y680-I684 HydrophobicContact CE1-CG1 4.14Å; Y680-I684 HydrophobicContact CE2-CD1 3.75Å; Y680-I684 HydrophobicContact CE2-CG1 3.61Å; Y680-I684 WeakPolarHBondContact O-CG1 3.34Å; Y680-I684 PolarHBondContact O-N 2.98Å; D681-I684 PolarHBondContact O-N 2.72Å; D681-I684 VanDerWaalsContact O-N 3.14Å; Y682-I684 VanDerWaalsContact C-N 3.35Å; Y682-I684 PolarHBondContact O-N 2.04Å; I684-L686 VanDerWaalsContact C-N 3.34Å; I684-L686 PolarHBondContact O-N 2.93Å; I684-M687 PolarHBondContact O-N 2.96Å; I684-K688 HydrophobicContact CG2-CD 3.78Å; I684-K688 VanDerWaalsContact CG2-CE 3.5Å; I684-K688 HydrophobicContact CG2-CG 4.22Å; I684-K688 WeakPolarHBondContact O-CB 3.23Å; I684-K688 WeakPolarHBondContact O-CG 3.32Å; I684-K688 PolarHBondContact O-N 3.11Å
685	L	88.4	Confident	87.9	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-45	174.8	-67.4	170.7	0	0	0	111.3	Y649 V663 F666 D681 Y682 G689 Q690 V692	Y649-L685 HydrophobicContact CD2-CD2 4.2Å; Y649-L685 HydrophobicContact CE2-CD2 3.6Å; V663-L685 HydrophobicContact CG2-CD1 4.04Å; F666-L685 HydrophobicContact CB-CD1 4.04Å; F666-L685 HydrophobicContact CD2-CD1 3.53Å; F666-L685 HydrophobicContact CE2-CD1 4.25Å; F666-L685 HydrophobicContact CG-CD1 4.08Å; D681-L685 WeakPolarHBondContact O-CG 3.49Å; D681-L685 PolarHBondContact O-N 3.46Å; Y682-L685 PolarHBondContact O-N 3.01Å; L685-G689 WeakPolarHBondContact O-CA 3.4Å; L685-G689 PolarHBondContact O-N 3.12Å; L685-Q690 HydrophobicContact CD2-CB 3.87Å; L685-Q690 PolarHBondContact O-N 3.44Å; L685-V692 VanDerWaalsContact C-CG2 3.49Å; L685-V692 HydrophobicContact CB-CG2 4.31Å; L685-V692 WeakPolarHBondContact O-CG2 3.2Å
686	L	90.5	Very high	87.9	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-40.8	174.3	-75.3	170.7	0	0	0	113.1	Y682 S683 I684 V692 R694 N695 Q698 L702	Y682-L686 HydrophobicContact CD1-CD1 3.93Å; Y682-L686 HydrophobicContact CE1-CD1 3.44Å; Y682-L686 VanDerWaalsContact CE1-CD1 3.44Å; Y682-L686 HydrophobicContact CE1-CG 4.14Å; Y682-L686 HydrophobicContact CE2-CD1 4.48Å; Y682-L686 HydrophobicContact CE2-CG 4.31Å; Y682-L686 WeakPolarHBondContact O-CG 3.1Å; Y682-L686 PolarHBondContact O-N 3.19Å; S683-L686 PolarHBondContact O-N 3.1Å; I684-L686 VanDerWaalsContact C-N 3.34Å; I684-L686 PolarHBondContact O-N 2.93Å; L686-V692 HydrophobicContact CD2-CB 4.34Å; L686-V692 HydrophobicContact CD2-CG2 4.03Å; L686-V692 HydrophobicContact CG-CG2 4.42Å; L686-R694 CarbonylContact O-C 3.59Å; L686-R694 VanDerWaalsContact O-CA 3.31Å; L686-R694 WeakPolarHBondContact O-CA 3.4Å; L686-N695 HydrophobicContact CD2-CB 4.36Å; L686-N695 PolarHBondContact O-N 3.31Å; L686-Q698 HydrophobicContact CD1-CB 4.45Å; L686-Q698 HydrophobicContact CD1-CG 3.93Å; L686-L702 HydrophobicContact CD1-CD1 3.61Å
687	M	86.9	Confident	87.9	Confident	11 Å²	11	47.6 Å²	47.6	5%	0.054	24%	0.242	C	C	.	.	H	α-helix	trans	-71.3	-35.9	179.7	-70.7	172.1	68.7	0	0	112.9	S683 I684 R694 Y696 L703 Y721	S683-M687 VanDerWaalsContact O-CG 3.26Å; S683-M687 WeakPolarHBondContact O-CG 3.11Å; S683-M687 PolarHBondContact O-N 3.47Å; I684-M687 PolarHBondContact O-N 2.96Å; M687-R694 WeakPolarHBondContact O-CG 3.19Å; M687-R694 PolarHBondContact O-NE 3.47Å; M687-Y696 HydrophobicContact CB-CD1 4.11Å; M687-Y696 HydrophobicContact CB-CE1 3.98Å; M687-Y696 HydrophobicContact CE-CD1 4.26Å; M687-Y696 HydrophobicContact CE-CE1 4.32Å; M687-Y696 HydrophobicContact CG-CD1 4.02Å; M687-Y696 HydrophobicContact CG-CE1 4.36Å; M687-Y696 WeakPolarHBondContact O-CE1 3.11Å; M687-Y696 PolarHBondContact O-OH 2.9Å; M687-L703 HydrophobicContact CE-CD2 4.32Å; M687-L703 HydrophobicContact SD-CD2 4.09Å; M687-Y721 HydrophobicContact CE-CD2 3.39Å; M687-Y721 HydrophobicContact CE-CE2 3.78Å; M687-Y721 HydrophobicContact CE-CG 4.39Å
688	K	83.4	Confident	88	Confident	100 Å²	100	49.1 Å²	49.1	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-80.8	-30	176.3	-67.2	-179	179.8	172.4	0	112.6	I684 Q690	I684-K688 HydrophobicContact CG2-CD 3.78Å; I684-K688 VanDerWaalsContact CG2-CE 3.5Å; I684-K688 HydrophobicContact CG2-CG 4.22Å; I684-K688 WeakPolarHBondContact O-CB 3.23Å; I684-K688 WeakPolarHBondContact O-CG 3.32Å; I684-K688 PolarHBondContact O-N 3.11Å; K688-Q690 HydrophobicContact CB-CG 3.89Å
689	G	84.1	Confident	88.3	Confident	28 Å²	28	49.1 Å²	49.1	29%	0.289	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	33.9	-170.4	0	0	0	0	0	113.1	L685 V692	L685-G689 WeakPolarHBondContact O-CA 3.4Å; L685-G689 PolarHBondContact O-N 3.12Å; G689-V692 CarbonylContact C-O 3.46Å; G689-V692 VanDerWaalsContact C-O 3.25Å; G689-V692 VanDerWaalsContact CA-O 3.26Å; G689-V692 WeakPolarHBondContact CA-O 3.34Å
690	Q	79.4	Confident	88.4	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.056	26%	0.255	C	S	.	.	S	Bend	trans	-88.4	108.4	-179.4	-76.4	176.8	-16.1	0	0	109.5	H597 Y649 V663 L685 K688 V692	H597-Q690 PolarHBondContact CE1-NE2 3.27Å; H597-Q690 VanDerWaalsContact CE1-NE2 3.29Å; H597-Q690 PolarHBondContact NE2-NE2 2.78Å; H597-Q690 VanDerWaalsContact NE2-NE2 3.17Å; Y649-Q690 PolarHBondContact OH-OE1 2.89Å; V663-Q690 WeakPolarHBondContact CG2-O 3.29Å; L685-Q690 HydrophobicContact CD2-CB 3.87Å; L685-Q690 PolarHBondContact O-N 3.44Å; K688-Q690 HydrophobicContact CB-CG 3.89Å; Q690-V692 PolarHBondContact O-N 2.89Å
691	G	79.5	Confident	88.4	Confident	54 Å²	54	54.7 Å²	54.7	56%	0.557	28%	0.276	S	S	*	.	S	Bend	trans	69.1	-7.8	-175.6	0	0	0	0	0	115.4
692	V	87.7	Confident	88.7	Confident	28 Å²	28	53.2 Å²	53.2	17%	0.17	27%	0.268	C	S	.	.	S	Bend	trans	-124.8	158.8	175.1	-66.8	0	0	0	0	111.3	V663 Y682 L685 L686 G689 Q690 R694	V663-V692 HydrophobicContact CB-CG1 4.24Å; V663-V692 HydrophobicContact CG1-CG1 3.26Å; V663-V692 HydrophobicContact CG2-CG1 3.89Å; Y682-V692 HydrophobicContact CE2-CG1 4.49Å; L685-V692 VanDerWaalsContact C-CG2 3.49Å; L685-V692 HydrophobicContact CB-CG2 4.31Å; L685-V692 WeakPolarHBondContact O-CG2 3.2Å; L686-V692 HydrophobicContact CD2-CB 4.34Å; L686-V692 HydrophobicContact CD2-CG2 4.03Å; L686-V692 HydrophobicContact CG-CG2 4.42Å; G689-V692 CarbonylContact C-O 3.46Å; G689-V692 VanDerWaalsContact C-O 3.25Å; G689-V692 VanDerWaalsContact CA-O 3.26Å; G689-V692 WeakPolarHBondContact CA-O 3.34Å; Q690-V692 PolarHBondContact O-N 2.89Å; V692-R694 PolarHBondContact O-N 3.15Å
693	K	88.9	Confident	88.9	Confident	196 Å²	196	52.7 Å²	52.7	85%	0.852	27%	0.266	S	S	*	.			trans	-65.2	124.3	168.7	-172.4	178.2	-178	179.7	0	109.6	N695	K693-N695 PolarHBondContact O-N 3.43Å
694	R	90.8	Very high	89	Confident	149 Å²	149	57.4 Å²	57.4	56%	0.562	29%	0.287	S	S	*	.			trans	-57	122.6	-178.9	-166.9	165.6	170.6	-165.5	-6	111.5	L686 M687 V692 Y696	L686-R694 CarbonylContact O-C 3.59Å; L686-R694 VanDerWaalsContact O-CA 3.31Å; L686-R694 WeakPolarHBondContact O-CA 3.4Å; M687-R694 WeakPolarHBondContact O-CG 3.19Å; M687-R694 PolarHBondContact O-NE 3.47Å; V692-R694 PolarHBondContact O-N 3.15Å; R694-Y696 HydrophobicContact CG-CE2 4.38Å; R694-Y696 VanDerWaalsContact NE-CE2 3.32Å; R694-Y696 PolarHBondContact NE-OH 3.12Å; R694-Y696 PolarHBondContact NH2-OH 3.16Å
695	N	91.1	Very high	89.3	Confident	55 Å²	55	61 Å²	61	29%	0.294	30%	0.301	S	S	.	.			trans	-141	93.6	179.9	-173.4	-9.4	0	0	0	110.8	L686 K693 T697 Q698 G699	L686-N695 HydrophobicContact CD2-CB 4.36Å; L686-N695 PolarHBondContact O-N 3.31Å; K693-N695 PolarHBondContact O-N 3.43Å; N695-T697 PolarHBondContact O-N 2.88Å; N695-T697 PolarHBondContact OD1-N 3.44Å; N695-Q698 HydrophobicContact CB-CB 4.35Å; N695-Q698 VanDerWaalsContact ND2-CB 3.29Å; N695-Q698 WeakPolarHBondContact ND2-CB 3.46Å; N695-Q698 PolarHBondContact ND2-OE1 2.88Å; N695-Q698 PolarHBondContact OD1-N 2.83Å; N695-G699 PolarHBondContact O-N 3.04Å
696	Y	86.4	Confident	89.5	Confident	84 Å²	84	60.7 Å²	60.7	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-37.1	-179.6	-86	-64.4	0	0	0	114.1	M687 R694 F700 Y721	M687-Y696 HydrophobicContact CB-CD1 4.11Å; M687-Y696 HydrophobicContact CB-CE1 3.98Å; M687-Y696 HydrophobicContact CE-CD1 4.26Å; M687-Y696 HydrophobicContact CE-CE1 4.32Å; M687-Y696 HydrophobicContact CG-CD1 4.02Å; M687-Y696 HydrophobicContact CG-CE1 4.36Å; M687-Y696 WeakPolarHBondContact O-CE1 3.11Å; M687-Y696 PolarHBondContact O-OH 2.9Å; R694-Y696 HydrophobicContact CG-CE2 4.38Å; R694-Y696 VanDerWaalsContact NE-CE2 3.32Å; R694-Y696 PolarHBondContact NE-OH 3.12Å; R694-Y696 PolarHBondContact NH2-OH 3.16Å; Y696-F700 VanDerWaalsContact O-CB 3.28Å; Y696-F700 WeakPolarHBondContact O-CB 3.49Å; Y696-F700 PolarHBondContact O-N 3.49Å; Y696-Y721 HydrophobicContact CD1-CE2 4.41Å
697	T	89.3	Confident	89.7	Confident	102 Å²	102	61 Å²	61	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-69.6	-46	-173.7	-21.8	0	0	0	0	110.9	N695 Q701	N695-T697 PolarHBondContact O-N 2.88Å; N695-T697 PolarHBondContact OD1-N 3.44Å; T697-Q701 VanDerWaalsContact O-CG 3.32Å; T697-Q701 WeakPolarHBondContact O-CG 3.43Å; T697-Q701 PolarHBondContact O-N 3.34Å
698	Q	91.6	Very high	90.1	Very high	77 Å²	77	65 Å²	65	36%	0.36	34%	0.337	S	S	.	.	H	α-helix	trans	-68.9	-44.4	175.6	-174.7	-177.9	-3.5	0	0	111.2	L686 N695 F700 Q701 L702	L686-Q698 HydrophobicContact CD1-CB 4.45Å; L686-Q698 HydrophobicContact CD1-CG 3.93Å; N695-Q698 HydrophobicContact CB-CB 4.35Å; N695-Q698 VanDerWaalsContact ND2-CB 3.29Å; N695-Q698 WeakPolarHBondContact ND2-CB 3.46Å; N695-Q698 PolarHBondContact ND2-OE1 2.88Å; N695-Q698 PolarHBondContact OD1-N 2.83Å; Q698-F700 PolarHBondContact O-N 2.73Å; Q698-Q701 PolarHBondContact O-N 3.45Å; Q698-L702 HydrophobicContact CG-CD1 4.15Å; Q698-L702 WeakPolarHBondContact O-CG 3.35Å; Q698-L702 PolarHBondContact O-N 3.35Å
699	G	91.9	Very high	90.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-49.6	175.9	0	0	0	0	0	112.5	S683 N695 Q701 L702 L703	S683-G699 WeakPolarHBondContact CB-O 3.39Å; N695-G699 PolarHBondContact O-N 3.04Å; G699-Q701 VanDerWaalsContact C-N 3.32Å; G699-Q701 PolarHBondContact O-N 3.27Å; G699-L702 PolarHBondContact O-N 3.31Å; G699-L702 VanDerWaalsContact O-N 3.15Å; G699-L703 WeakPolarHBondContact O-CB 3.05Å; G699-L703 PolarHBondContact O-N 3.23Å
700	F	92.6	Very high	90.8	Very high	30 Å²	30	64.6 Å²	64.6	13%	0.132	34%	0.344	C	S	.	.	H	α-helix	trans	-64	-33.5	178	-176.7	-135.1	0	0	0	113.4	Y696 Q698 L703 K704 L718 Y721 L726	Y696-F700 VanDerWaalsContact O-CB 3.28Å; Y696-F700 WeakPolarHBondContact O-CB 3.49Å; Y696-F700 PolarHBondContact O-N 3.49Å; Q698-F700 PolarHBondContact O-N 2.73Å; F700-L703 HydrophobicContact CD2-CD2 4.43Å; F700-K704 HydrophobicContact CE2-CG 4.37Å; F700-K704 HydrophobicContact CZ-CD 4.46Å; F700-K704 WeakPolarHBondContact O-CG 3.39Å; F700-K704 PolarHBondContact O-N 3.13Å; F700-K704 VanDerWaalsContact O-N 3.14Å; F700-L718 HydrophobicContact CD2-CD2 4.19Å; F700-L718 HydrophobicContact CE2-CD2 3.71Å; F700-Y721 HydrophobicContact CB-CE2 4.49Å; F700-Y721 HydrophobicContact CD1-CD1 4.47Å; F700-Y721 AromaticContact CD1-CE1 3.72Å; F700-Y721 HydrophobicContact CD1-CE1 3.72Å; F700-Y721 AromaticContact CD2-CD1 3.54Å; F700-Y721 HydrophobicContact CD2-CD1 3.54Å; F700-Y721 HydrophobicContact CD2-CD2 4.39Å; F700-Y721 AromaticContact CD2-CE1 3.57Å; F700-Y721 HydrophobicContact CD2-CE1 3.57Å; F700-Y721 HydrophobicContact CD2-CE2 4.42Å; F700-Y721 AromaticContact CD2-CG 3.95Å; F700-Y721 HydrophobicContact CD2-CG 3.95Å; F700-Y721 HydrophobicContact CE1-CD1 4.17Å; F700-Y721 AromaticContact CE1-CE1 3.57Å; F700-Y721 HydrophobicContact CE1-CE1 3.57Å; F700-Y721 AromaticContact CE2-CD1 3.19Å; F700-Y721 HydrophobicContact CE2-CD1 3.19Å; F700-Y721 AromaticContact CE2-CE1 3.45Å; F700-Y721 HydrophobicContact CE2-CE1 3.45Å; F700-Y721 VanDerWaalsContact CE2-CE1 3.45Å; F700-Y721 AromaticContact CE2-CG 3.93Å; F700-Y721 HydrophobicContact CE2-CG 3.93Å; F700-Y721 HydrophobicContact CG-CD1 4.17Å; F700-Y721 AromaticContact CG-CE1 3.71Å; F700-Y721 HydrophobicContact CG-CE1 3.71Å; F700-Y721 HydrophobicContact CG-CE2 4.44Å; F700-Y721 AromaticContact CG-CZ 3.84Å; F700-Y721 AromaticContact CZ-CD1 3.53Å; F700-Y721 HydrophobicContact CZ-CD1 3.53Å; F700-Y721 AromaticContact CZ-CE1 3.42Å; F700-Y721 HydrophobicContact CZ-CE1 3.42Å; F700-Y721 VanDerWaalsContact CZ-CE1 3.42Å; F700-L726 HydrophobicContact CZ-CD1 4.4Å
701	Q	93.2	Very high	91.4	Very high	121 Å²	121	64.1 Å²	64.1	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-66.4	-41.1	173	-75.1	176.8	4.5	0	0	112.3	T697 Q698 G699 K705	T697-Q701 VanDerWaalsContact O-CG 3.32Å; T697-Q701 WeakPolarHBondContact O-CG 3.43Å; T697-Q701 PolarHBondContact O-N 3.34Å; Q698-Q701 PolarHBondContact O-N 3.45Å; G699-Q701 VanDerWaalsContact C-N 3.32Å; G699-Q701 PolarHBondContact O-N 3.27Å; Q701-K705 WeakPolarHBondContact O-CG 3.06Å; Q701-K705 PolarHBondContact O-N 3.04Å
702	L	94.3	Very high	92.1	Very high	15 Å²	15	64.5 Å²	64.5	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-68.5	-41.3	176.2	-67.7	169.6	0	0	0	111.6	M673 V679 Y682 L686 Q698 G699 K704 K705 A706	M673-L702 HydrophobicContact CE-CD2 3.56Å; V679-L702 HydrophobicContact CG1-CB 4.17Å; V679-L702 HydrophobicContact CG1-CD2 4.23Å; Y682-L702 HydrophobicContact CD1-CD1 3.76Å; Y682-L702 HydrophobicContact CE1-CD1 3.92Å; L686-L702 HydrophobicContact CD1-CD1 3.61Å; Q698-L702 HydrophobicContact CG-CD1 4.15Å; Q698-L702 WeakPolarHBondContact O-CG 3.35Å; Q698-L702 PolarHBondContact O-N 3.35Å; G699-L702 PolarHBondContact O-N 3.31Å; G699-L702 VanDerWaalsContact O-N 3.15Å; L702-K704 VanDerWaalsContact C-N 3.32Å; L702-K704 PolarHBondContact O-N 2.82Å; L702-K705 WeakPolarHBondContact O-CA 3.49Å; L702-K705 WeakPolarHBondContact O-CB 3.35Å; L702-K705 PolarHBondContact O-N 3.06Å; L702-A706 PolarHBondContact O-N 3.01Å
703	L	94.9	Very high	92.2	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-57.5	-43.1	175.8	-175.5	62.6	0	0	0	111.9	Y680 M687 G699 F700 K705 A706 A707 A714 L718	Y680-L703 HydrophobicContact CD2-CD1 3.64Å; Y680-L703 HydrophobicContact CE2-CD1 3.89Å; M687-L703 HydrophobicContact CE-CD2 4.32Å; M687-L703 HydrophobicContact SD-CD2 4.09Å; G699-L703 WeakPolarHBondContact O-CB 3.05Å; G699-L703 PolarHBondContact O-N 3.23Å; F700-L703 HydrophobicContact CD2-CD2 4.43Å; L703-K705 PolarHBondContact O-N 3.44Å; L703-A706 PolarHBondContact O-N 3.39Å; L703-A707 PolarHBondContact O-N 3.07Å; L703-A714 HydrophobicContact CD1-CB 3.92Å; L703-L718 HydrophobicContact CD2-CD2 4.02Å; L703-L718 HydrophobicContact CD2-CG 4.47Å; L703-L718 HydrophobicContact CG-CD2 3.89Å; L703-L718 HydrophobicContact CG-CG 4.15Å
704	K	95	Very high	92.5	Very high	99 Å²	99	56.4 Å²	56.4	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-38.6	172.3	-72.6	-178.8	-172.5	-175	0	113.2	F700 L702 A708 L718	F700-K704 HydrophobicContact CE2-CG 4.37Å; F700-K704 HydrophobicContact CZ-CD 4.46Å; F700-K704 WeakPolarHBondContact O-CG 3.39Å; F700-K704 PolarHBondContact O-N 3.13Å; F700-K704 VanDerWaalsContact O-N 3.14Å; L702-K704 VanDerWaalsContact C-N 3.32Å; L702-K704 PolarHBondContact O-N 2.82Å; K704-A708 WeakPolarHBondContact O-CB 3.38Å; K704-A708 PolarHBondContact O-N 3.25Å; K704-L718 HydrophobicContact CG-CD2 3.78Å
705	K	94.4	Very high	92.7	Very high	107 Å²	107	50.1 Å²	50.1	47%	0.465	27%	0.273	S	S	.	.	H	α-helix	trans	-67.2	-46.9	177.7	-72.6	178.2	178.2	-173.7	0	111.2	M673 Q701 L702 L703 A707 A708 M709	M673-K705 HydrophobicContact SD-CD 4.11Å; Q701-K705 WeakPolarHBondContact O-CG 3.06Å; Q701-K705 PolarHBondContact O-N 3.04Å; L702-K705 WeakPolarHBondContact O-CA 3.49Å; L702-K705 WeakPolarHBondContact O-CB 3.35Å; L702-K705 PolarHBondContact O-N 3.06Å; L703-K705 PolarHBondContact O-N 3.44Å; K705-A707 VanDerWaalsContact C-N 3.32Å; K705-A707 PolarHBondContact O-N 3.35Å; K705-A708 CarbonylContact O-C 3.25Å; K705-A708 PolarHBondContact O-N 3.1Å; K705-A708 VanDerWaalsContact O-N 3.15Å; K705-M709 WeakPolarHBondContact O-CB 3.36Å; K705-M709 VanDerWaalsContact O-CG 3.26Å; K705-M709 WeakPolarHBondContact O-CG 3.37Å; K705-M709 PolarHBondContact O-N 3.25Å
706	A	94.6	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.8	-46.3	175.2	0	0	0	0	0	111.7	P676 V679 L702 L703 M709 G710 S711 A714	P676-A706 WeakPolarHBondContact O-CB 3.18Å; V679-A706 HydrophobicContact CB-CB 4.17Å; V679-A706 HydrophobicContact CG1-CB 3.98Å; L702-A706 PolarHBondContact O-N 3.01Å; L703-A706 PolarHBondContact O-N 3.39Å; A706-M709 CarbonylContact O-C 3.59Å; A706-M709 PolarHBondContact O-N 3.02Å; A706-G710 PolarHBondContact O-N 3.26Å; A706-S711 WeakPolarHBondContact O-CB 3.41Å; A706-S711 PolarHBondContact O-N 3.17Å; A706-A714 HydrophobicContact CB-CB 3.58Å
707	A	94.6	Very high	93	Very high	13 Å²	13	44.4 Å²	44.4	11%	0.107	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-42.2	175.9	0	0	0	0	0	112.6	L703 K705 M709 G710 A714 L715 L718	L703-A707 PolarHBondContact O-N 3.07Å; K705-A707 VanDerWaalsContact C-N 3.32Å; K705-A707 PolarHBondContact O-N 3.35Å; A707-M709 VanDerWaalsContact C-N 3.25Å; A707-M709 PolarHBondContact O-N 2.82Å; A707-G710 PolarHBondContact O-N 3.13Å; A707-A714 HydrophobicContact CB-CB 3.85Å; A707-A714 VanDerWaalsContact N-CB 3.35Å; A707-L715 HydrophobicContact CB-CD2 4.04Å; A707-L715 HydrophobicContact CB-CG 4.28Å; A707-L718 HydrophobicContact CB-CD1 3.49Å; A707-L718 VanDerWaalsContact CB-CD1 3.49Å; A707-L718 HydrophobicContact CB-CG 4.35Å
708	A	93.6	Very high	93.3	Very high	93 Å²	93	39.8 Å²	39.8	77%	0.769	22%	0.221	S	C	*	.	H	α-helix	trans	-67.3	-24.1	175.8	0	0	0	0	0	113.6	K704 K705 G710	K704-A708 WeakPolarHBondContact O-CB 3.38Å; K704-A708 PolarHBondContact O-N 3.25Å; K705-A708 CarbonylContact O-C 3.25Å; K705-A708 PolarHBondContact O-N 3.1Å; K705-A708 VanDerWaalsContact O-N 3.15Å; A708-G710 VanDerWaalsContact C-N 3.31Å
709	M	92.1	Very high	93.4	Very high	72 Å²	72	36.1 Å²	36.1	36%	0.355	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.8	171.4	-66.6	166	62	0	0	113.1	M673 P676 K705 A706 A707	M673-M709 VanDerWaalsContact O-CE 3.26Å; M673-M709 WeakPolarHBondContact O-CE 3.38Å; P676-M709 HydrophobicContact CB-CB 3.75Å; P676-M709 HydrophobicContact CB-CE 4.18Å; K705-M709 WeakPolarHBondContact O-CB 3.36Å; K705-M709 VanDerWaalsContact O-CG 3.26Å; K705-M709 WeakPolarHBondContact O-CG 3.37Å; K705-M709 PolarHBondContact O-N 3.25Å; A706-M709 CarbonylContact O-C 3.59Å; A706-M709 PolarHBondContact O-N 3.02Å; A707-M709 VanDerWaalsContact C-N 3.25Å; A707-M709 PolarHBondContact O-N 2.82Å
710	G	90.1	Very high	93.3	Very high	49 Å²	49	41.8 Å²	41.8	51%	0.505	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.9	7.8	175.9	0	0	0	0	0	116.3	A706 A707 A708 I712	A706-G710 PolarHBondContact O-N 3.26Å; A707-G710 PolarHBondContact O-N 3.13Å; A708-G710 VanDerWaalsContact C-N 3.31Å; G710-I712 PolarHBondContact O-N 3.26Å
711	S	93.1	Very high	93.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	22%	0.224	C	C	.	.			trans	-63.4	119.4	173.7	171.1	0	0	0	0	111	E677 A706 N713 A714 L715	E677-S711 WeakPolarHBondContact OE1-CA 3.21Å; E677-S711 WeakPolarHBondContact OE1-CB 3.5Å; E677-S711 PolarHBondContact OE1-OG 3.11Å; A706-S711 WeakPolarHBondContact O-CB 3.41Å; A706-S711 PolarHBondContact O-N 3.17Å; S711-N713 PolarHBondContact OG-N 2.95Å; S711-A714 PolarHBondContact O-N 3.08Å; S711-A714 WeakPolarHBondContact OG-CB 3.44Å; S711-A714 PolarHBondContact OG-N 3.28Å; S711-L715 PolarHBondContact O-N 3.3Å
712	I	93.8	Very high	93.2	Very high	62 Å²	62	36.6 Å²	36.6	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-68.7	-40.9	178	-63.7	163.5	0	0	0	109.8	G710 A714 L715 N716 N742 S744	G710-I712 PolarHBondContact O-N 3.26Å; I712-A714 VanDerWaalsContact C-N 3.31Å; I712-A714 PolarHBondContact O-N 2.85Å; I712-L715 WeakPolarHBondContact O-CB 3.49Å; I712-L715 PolarHBondContact O-N 3.16Å; I712-N716 PolarHBondContact O-N 3.27Å; I712-N742 HydrophobicContact CD1-CB 4.37Å; I712-N742 VanDerWaalsContact CD1-O 3.3Å; I712-N742 WeakPolarHBondContact CD1-O 3Å; I712-N742 HydrophobicContact CG1-CB 3.97Å; I712-N742 HydrophobicContact CG2-CB 4.45Å; I712-S744 VanDerWaalsContact CG2-CB 3.48Å
713	N	91	Very high	92.9	Very high	54 Å²	54	36 Å²	36	29%	0.289	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-36.8	176.3	-66.2	-34.4	0	0	0	111.6	E677 Y680 S711 N716 G717	E677-N713 PolarHBondContact OE2-ND2 3.04Å; Y680-N713 HydrophobicContact CD1-CB 3.8Å; Y680-N713 HydrophobicContact CD2-CB 4.32Å; Y680-N713 HydrophobicContact CE1-CB 3.53Å; Y680-N713 HydrophobicContact CE2-CB 4.08Å; Y680-N713 WeakPolarHBondContact CE2-O 3.26Å; Y680-N713 HydrophobicContact CG-CB 4.18Å; S711-N713 PolarHBondContact OG-N 2.95Å; N713-N716 PolarHBondContact O-N 3.36Å; N713-G717 PolarHBondContact O-N 2.98Å
714	A	93.7	Very high	92.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.1	-36.1	174.5	0	0	0	0	0	113.3	Y680 L703 A706 A707 S711 I712 G717 L718	Y680-A714 HydrophobicContact CD2-CB 3.82Å; Y680-A714 HydrophobicContact CG-CB 4.42Å; L703-A714 HydrophobicContact CD1-CB 3.92Å; A706-A714 HydrophobicContact CB-CB 3.58Å; A707-A714 HydrophobicContact CB-CB 3.85Å; A707-A714 VanDerWaalsContact N-CB 3.35Å; S711-A714 PolarHBondContact O-N 3.08Å; S711-A714 WeakPolarHBondContact OG-CB 3.44Å; S711-A714 PolarHBondContact OG-N 3.28Å; I712-A714 VanDerWaalsContact C-N 3.31Å; I712-A714 PolarHBondContact O-N 2.85Å; A714-G717 PolarHBondContact O-N 2.88Å; A714-L718 WeakPolarHBondContact O-CG 3.47Å; A714-L718 PolarHBondContact O-N 2.89Å
715	L	94.9	Very high	92.2	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-47.2	172.6	-71.1	167.7	0	0	0	111.1	A707 S711 I712 G717 L718 G719 Y735 A739	A707-L715 HydrophobicContact CB-CD2 4.04Å; A707-L715 HydrophobicContact CB-CG 4.28Å; S711-L715 PolarHBondContact O-N 3.3Å; I712-L715 WeakPolarHBondContact O-CB 3.49Å; I712-L715 PolarHBondContact O-N 3.16Å; L715-G717 VanDerWaalsContact C-N 3.34Å; L715-G717 PolarHBondContact O-N 3.38Å; L715-L718 PolarHBondContact O-N 3.44Å; L715-G719 PolarHBondContact O-N 3.17Å; L715-Y735 HydrophobicContact CD2-CD1 4.33Å; L715-A739 HydrophobicContact CB-CB 4.01Å
716	N	92.9	Very high	92	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.059	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-43.4	173.7	177.1	56.4	0	0	0	111.9	I712 N713 L718 G719 W720 F736 A739 D746 N750	I712-N716 PolarHBondContact O-N 3.27Å; N713-N716 PolarHBondContact O-N 3.36Å; N716-L718 PolarHBondContact O-N 2.94Å; N716-G719 WeakPolarHBondContact O-CA 3.47Å; N716-G719 PolarHBondContact O-N 3.5Å; N716-G719 VanDerWaalsContact O-N 3.12Å; N716-W720 PolarHBondContact O-N 2.82Å; N716-F736 WeakPolarHBondContact O-CE1 3.09Å; N716-F736 WeakPolarHBondContact OD1-CE1 3.26Å; N716-A739 HydrophobicContact CB-CB 4.09Å; N716-D746 WeakPolarHBondContact ND2-CB 3.32Å; N716-N750 PolarHBondContact OD1-ND2 3.1Å
717	G	91.9	Very high	91.8	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-37.2	175.5	0	0	0	0	0	113.8	N713 A714 L715 W720 Y721	N713-G717 PolarHBondContact O-N 2.98Å; A714-G717 PolarHBondContact O-N 2.88Å; L715-G717 VanDerWaalsContact C-N 3.34Å; L715-G717 PolarHBondContact O-N 3.38Å; G717-W720 PolarHBondContact O-N 3.3Å; G717-Y721 WeakPolarHBondContact O-CB 3.41Å; G717-Y721 PolarHBondContact O-N 2.6Å
718	L	94.6	Very high	91.8	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-42.3	171.4	-72.9	178.3	0	0	0	111.3	F700 L703 K704 A707 A714 L715 N716 W720 Y721 H722 Y735	F700-L718 HydrophobicContact CD2-CD2 4.19Å; F700-L718 HydrophobicContact CE2-CD2 3.71Å; L703-L718 HydrophobicContact CD2-CD2 4.02Å; L703-L718 HydrophobicContact CD2-CG 4.47Å; L703-L718 HydrophobicContact CG-CD2 3.89Å; L703-L718 HydrophobicContact CG-CG 4.15Å; K704-L718 HydrophobicContact CG-CD2 3.78Å; A707-L718 HydrophobicContact CB-CD1 3.49Å; A707-L718 VanDerWaalsContact CB-CD1 3.49Å; A707-L718 HydrophobicContact CB-CG 4.35Å; A714-L718 WeakPolarHBondContact O-CG 3.47Å; A714-L718 PolarHBondContact O-N 2.89Å; L715-L718 PolarHBondContact O-N 3.44Å; N716-L718 PolarHBondContact O-N 2.94Å; L718-W720 PolarHBondContact O-N 3.48Å; L718-Y721 PolarHBondContact O-N 3.08Å; L718-H722 PolarHBondContact O-CD2 3.47Å; L718-H722 PolarHBondContact O-N 3.24Å; L718-Y735 HydrophobicContact CB-CD1 4.24Å; L718-Y735 HydrophobicContact CB-CD2 4.01Å; L718-Y735 HydrophobicContact CB-CE1 4.48Å; L718-Y735 HydrophobicContact CB-CE2 4.27Å; L718-Y735 HydrophobicContact CB-CG 4Å; L718-Y735 HydrophobicContact CD1-CD1 4.31Å; L718-Y735 HydrophobicContact CD1-CE1 3.99Å
719	G	93.4	Very high	91.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.5	-50.5	173.5	0	0	0	0	0	112	L715 N716 Y721 H722 G723 A732	L715-G719 PolarHBondContact O-N 3.17Å; N716-G719 WeakPolarHBondContact O-CA 3.47Å; N716-G719 PolarHBondContact O-N 3.5Å; N716-G719 VanDerWaalsContact O-N 3.12Å; G719-Y721 PolarHBondContact O-N 3.17Å; G719-H722 PolarHBondContact O-N 3.08Å; G719-G723 PolarHBondContact O-N 2.91Å; G719-A732 WeakPolarHBondContact O-CB 3.28Å
720	W	91	Very high	91.8	Very high	119 Å²	119	48.4 Å²	48.4	45%	0.451	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-43.5	176.9	-175.5	92.3	0	0	0	112.5	N716 G717 L718 G723 I724 V725 F736	N716-W720 PolarHBondContact O-N 2.82Å; G717-W720 PolarHBondContact O-N 3.3Å; L718-W720 PolarHBondContact O-N 3.48Å; W720-G723 PolarHBondContact O-N 3.37Å; W720-I724 HydrophobicContact CD2-CB 4.39Å; W720-I724 HydrophobicContact CD2-CG1 4.29Å; W720-I724 HydrophobicContact CG-CG1 4.33Å; W720-I724 HydrophobicContact CH2-CG2 4.34Å; W720-I724 HydrophobicContact CZ2-CB 4.19Å; W720-I724 HydrophobicContact CZ2-CG1 4.38Å; W720-I724 HydrophobicContact CZ2-CG2 3.96Å; W720-I724 WeakPolarHBondContact O-CB 3.47Å; W720-I724 PolarHBondContact O-N 3.08Å; W720-V725 HydrophobicContact CE3-CG2 4.5Å; W720-V725 HydrophobicContact CH2-CG2 4.2Å; W720-V725 HydrophobicContact CZ3-CG2 3.77Å; W720-F736 HydrophobicContact CB-CZ 4.44Å; W720-F736 VanDerWaalsContact N-CZ 3.29Å
721	Y	90.2	Very high	91.9	Very high	24 Å²	24	48.7 Å²	48.7	9%	0.094	23%	0.233	C	C	.	.	I	π-helix	trans	-65.3	-43.5	179	-171	-93.6	0	0	0	112.1	M687 Y696 F700 G717 L718 G719 V725 L726	M687-Y721 HydrophobicContact CE-CD2 3.39Å; M687-Y721 HydrophobicContact CE-CE2 3.78Å; M687-Y721 HydrophobicContact CE-CG 4.39Å; Y696-Y721 HydrophobicContact CD1-CE2 4.41Å; F700-Y721 HydrophobicContact CB-CE2 4.49Å; F700-Y721 HydrophobicContact CD1-CD1 4.47Å; F700-Y721 AromaticContact CD1-CE1 3.72Å; F700-Y721 HydrophobicContact CD1-CE1 3.72Å; F700-Y721 AromaticContact CD2-CD1 3.54Å; F700-Y721 HydrophobicContact CD2-CD1 3.54Å; F700-Y721 HydrophobicContact CD2-CD2 4.39Å; F700-Y721 AromaticContact CD2-CE1 3.57Å; F700-Y721 HydrophobicContact CD2-CE1 3.57Å; F700-Y721 HydrophobicContact CD2-CE2 4.42Å; F700-Y721 AromaticContact CD2-CG 3.95Å; F700-Y721 HydrophobicContact CD2-CG 3.95Å; F700-Y721 HydrophobicContact CE1-CD1 4.17Å; F700-Y721 AromaticContact CE1-CE1 3.57Å; F700-Y721 HydrophobicContact CE1-CE1 3.57Å; F700-Y721 AromaticContact CE2-CD1 3.19Å; F700-Y721 HydrophobicContact CE2-CD1 3.19Å; F700-Y721 AromaticContact CE2-CE1 3.45Å; F700-Y721 HydrophobicContact CE2-CE1 3.45Å; F700-Y721 VanDerWaalsContact CE2-CE1 3.45Å; F700-Y721 AromaticContact CE2-CG 3.93Å; F700-Y721 HydrophobicContact CE2-CG 3.93Å; F700-Y721 HydrophobicContact CG-CD1 4.17Å; F700-Y721 AromaticContact CG-CE1 3.71Å; F700-Y721 HydrophobicContact CG-CE1 3.71Å; F700-Y721 HydrophobicContact CG-CE2 4.44Å; F700-Y721 AromaticContact CG-CZ 3.84Å; F700-Y721 AromaticContact CZ-CD1 3.53Å; F700-Y721 HydrophobicContact CZ-CD1 3.53Å; F700-Y721 AromaticContact CZ-CE1 3.42Å; F700-Y721 HydrophobicContact CZ-CE1 3.42Å; F700-Y721 VanDerWaalsContact CZ-CE1 3.42Å; G717-Y721 WeakPolarHBondContact O-CB 3.41Å; G717-Y721 PolarHBondContact O-N 2.6Å; L718-Y721 PolarHBondContact O-N 3.08Å; G719-Y721 PolarHBondContact O-N 3.17Å; Y721-V725 HydrophobicContact CD2-CB 3.93Å; Y721-V725 HydrophobicContact CD2-CG1 4.3Å; Y721-V725 HydrophobicContact CD2-CG2 3.74Å; Y721-V725 HydrophobicContact CE2-CB 3.95Å; Y721-V725 HydrophobicContact CE2-CG1 3.8Å; Y721-V725 HydrophobicContact CE2-CG2 4Å; Y721-V725 HydrophobicContact CG-CB 4.29Å; Y721-V725 HydrophobicContact CG-CG2 4.39Å; Y721-V725 WeakPolarHBondContact O-CA 3.49Å; Y721-V725 VanDerWaalsContact O-CB 3.3Å; Y721-V725 WeakPolarHBondContact O-CB 3.47Å; Y721-V725 PolarHBondContact O-N 2.96Å; Y721-L726 HydrophobicContact CD1-CD1 3.91Å; Y721-L726 HydrophobicContact CD1-CG 3.95Å; Y721-L726 HydrophobicContact CE1-CD1 3.83Å; Y721-L726 HydrophobicContact CE1-CD2 3.93Å; Y721-L726 HydrophobicContact CE1-CG 3.74Å; Y721-L726 PolarHBondContact O-N 2.89Å
722	H	92.4	Very high	92	Very high	18 Å²	18	48.6 Å²	48.6	8%	0.083	23%	0.232	C	C	.	.	I	π-helix	trans	-63	-46.4	175	-85.9	-97.2	0	0	0	111.3	L718 G719 L726 K727 D728 A732 Y735	L718-H722 PolarHBondContact O-CD2 3.47Å; L718-H722 PolarHBondContact O-N 3.24Å; G719-H722 PolarHBondContact O-N 3.08Å; H722-L726 CarbonylContact O-C 3.52Å; H722-L726 PolarHBondContact O-N 2.85Å; H722-K727 PolarHBondContact O-N 2.79Å; H722-D728 HydrophobicContact CB-CB 4.35Å; H722-D728 IonicContact CE1-OD2 3.6Å; H722-D728 IonicContact ND1-OD2 2.88Å; H722-D728 PolarHBondContact ND1-OD2 3.42Å; H722-D728 PolarHBondContact O-N 3.16Å; H722-A732 HydrophobicContact CB-CB 4.1Å; H722-Y735 AromaticContact CD2-CD2 3.99Å; H722-Y735 AromaticContact CD2-CE2 3.55Å; H722-Y735 AromaticContact NE2-CE2 3.67Å
723	G	89.5	Confident	92	Very high	3 Å²	3	45.7 Å²	45.7	3%	0.031	22%	0.218	C	C	.	.	I	π-helix	trans	-69.1	-49	-177.3	0	0	0	0	0	114	G719 W720 K727	G719-G723 PolarHBondContact O-N 2.91Å; W720-G723 PolarHBondContact O-N 3.37Å; G723-K727 WeakPolarHBondContact O-CA 3.46Å
724	I	87	Confident	92.2	Very high	106 Å²	106	47.4 Å²	47.4	54%	0.544	22%	0.222	S	C	.	.	I	π-helix	trans	-90.8	-41.5	-171.4	-56.8	-57.4	0	0	0	112.8	W720	W720-I724 HydrophobicContact CD2-CB 4.39Å; W720-I724 HydrophobicContact CD2-CG1 4.29Å; W720-I724 HydrophobicContact CG-CG1 4.33Å; W720-I724 HydrophobicContact CH2-CG2 4.34Å; W720-I724 HydrophobicContact CZ2-CB 4.19Å; W720-I724 HydrophobicContact CZ2-CG1 4.38Å; W720-I724 HydrophobicContact CZ2-CG2 3.96Å; W720-I724 WeakPolarHBondContact O-CB 3.47Å; W720-I724 PolarHBondContact O-N 3.08Å
725	V	87.4	Confident	92.3	Very high	64 Å²	64	50.4 Å²	50.4	39%	0.388	23%	0.234	S	C	.	.	I	π-helix	trans	-90.3	-45.5	-173.9	-173.9	0	0	0	0	111.5	W720 Y721	W720-V725 HydrophobicContact CE3-CG2 4.5Å; W720-V725 HydrophobicContact CH2-CG2 4.2Å; W720-V725 HydrophobicContact CZ3-CG2 3.77Å; Y721-V725 HydrophobicContact CD2-CB 3.93Å; Y721-V725 HydrophobicContact CD2-CG1 4.3Å; Y721-V725 HydrophobicContact CD2-CG2 3.74Å; Y721-V725 HydrophobicContact CE2-CB 3.95Å; Y721-V725 HydrophobicContact CE2-CG1 3.8Å; Y721-V725 HydrophobicContact CE2-CG2 4Å; Y721-V725 HydrophobicContact CG-CB 4.29Å; Y721-V725 HydrophobicContact CG-CG2 4.39Å; Y721-V725 WeakPolarHBondContact O-CA 3.49Å; Y721-V725 VanDerWaalsContact O-CB 3.3Å; Y721-V725 WeakPolarHBondContact O-CB 3.47Å; Y721-V725 PolarHBondContact O-N 2.96Å
726	L	89.9	Confident	92.3	Very high	85 Å²	85	49.8 Å²	49.8	45%	0.445	23%	0.231	S	C	.	.	S	Bend	trans	-90.6	-14.4	-179.7	-56.7	179.5	0	0	0	113.9	F700 Y721 H722 D728	F700-L726 HydrophobicContact CZ-CD1 4.4Å; Y721-L726 HydrophobicContact CD1-CD1 3.91Å; Y721-L726 HydrophobicContact CD1-CG 3.95Å; Y721-L726 HydrophobicContact CE1-CD1 3.83Å; Y721-L726 HydrophobicContact CE1-CD2 3.93Å; Y721-L726 HydrophobicContact CE1-CG 3.74Å; Y721-L726 PolarHBondContact O-N 2.89Å; H722-L726 CarbonylContact O-C 3.52Å; H722-L726 PolarHBondContact O-N 2.85Å; L726-D728 HydrophobicContact CB-CB 4.22Å; L726-D728 PolarHBondContact O-N 3.09Å
727	K	91.1	Very high	92.4	Very high	165 Å²	165	52.3 Å²	52.3	72%	0.717	24%	0.242	S	C	*	.			trans	56.3	31.7	-172.9	-57	-172.1	177.3	-173	0	113.9	H722 G723 H729	H722-K727 PolarHBondContact O-N 2.79Å; G723-K727 WeakPolarHBondContact O-CA 3.46Å; K727-H729 PolarHBondContact O-CD2 3.37Å; K727-H729 PolarHBondContact O-N 3.16Å
728	D	93.9	Very high	92.5	Very high	46 Å²	46	56.2 Å²	56.2	25%	0.246	26%	0.258	C	S	.	.			trans	-100.4	73.4	179.9	176.8	8.2	0	0	0	109.8	H722 L726 R730 N731 A732	H722-D728 HydrophobicContact CB-CB 4.35Å; H722-D728 IonicContact CE1-OD2 3.6Å; H722-D728 IonicContact ND1-OD2 2.88Å; H722-D728 PolarHBondContact ND1-OD2 3.42Å; H722-D728 PolarHBondContact O-N 3.16Å; L726-D728 HydrophobicContact CB-CB 4.22Å; L726-D728 PolarHBondContact O-N 3.09Å; D728-R730 PolarHBondContact O-N 3.46Å; D728-N731 PolarHBondContact O-N 3.03Å; D728-N731 PolarHBondContact OD1-N 2.84Å; D728-N731 PolarHBondContact OD1-ND2 2.87Å; D728-N731 WeakPolarHBondContact OD2-CB 3.24Å; D728-N731 PolarHBondContact OD2-ND2 2.98Å; D728-A732 WeakPolarHBondContact O-CB 2.77Å; D728-A732 PolarHBondContact O-N 2.89Å
729	H	92.8	Very high	92.5	Very high	55 Å²	55	56 Å²	56	26%	0.255	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-27.3	-176.4	-61.5	-91.1	0	0	0	113.1	K727 A733 Y754 E759 P761	K727-H729 PolarHBondContact O-CD2 3.37Å; K727-H729 PolarHBondContact O-N 3.16Å; H729-A733 WeakPolarHBondContact O-CB 3.33Å; H729-A733 PolarHBondContact O-N 3.32Å; H729-Y754 HydrophobicContact CB-CE1 4.06Å; H729-Y754 AromaticContact ND1-CZ 3.93Å; H729-Y754 PolarHBondContact ND1-OH 3.38Å; H729-E759 WeakPolarHBondContact CB-O 3.41Å; H729-E759 IonicContact CE1-OE2 3.09Å; H729-E759 PolarHBondContact CE1-OE2 3.11Å; H729-E759 IonicContact ND1-OE2 3.08Å; H729-E759 PolarHBondContact ND1-OE2 3.28Å; H729-E759 VanDerWaalsContact ND1-OE2 3.08Å; H729-P761 HydrophobicContact CB-CG 4.26Å
730	R	93.1	Very high	92.6	Very high	124 Å²	124	56.5 Å²	56.5	47%	0.468	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-48.6	177.3	174.2	177.8	-90.1	163.8	-1.3	111.7	D728 K734 P761 D762	D728-R730 PolarHBondContact O-N 3.46Å; R730-K734 WeakPolarHBondContact O-CG 3.49Å; R730-K734 PolarHBondContact O-N 3.38Å; R730-P761 HydrophobicContact CB-CG 4.22Å; R730-D762 IonicContact CZ-OD1 3.2Å; R730-D762 IonicContact NE-OD1 2.91Å; R730-D762 PolarHBondContact NE-OD1 2.84Å; R730-D762 IonicContact NE-OD2 3.33Å; R730-D762 PolarHBondContact NE-OD2 2.77Å; R730-D762 IonicContact NH2-OD1 2.66Å; R730-D762 PolarHBondContact NH2-OD1 3.19Å
731	N	93.3	Very high	92.7	Very high	55 Å²	55	57.8 Å²	57.8	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-76	-30.5	177	-68.5	-39.2	0	0	0	111.7	D728 K734 Y735	D728-N731 PolarHBondContact O-N 3.03Å; D728-N731 PolarHBondContact OD1-N 2.84Å; D728-N731 PolarHBondContact OD1-ND2 2.87Å; D728-N731 WeakPolarHBondContact OD2-CB 3.24Å; D728-N731 PolarHBondContact OD2-ND2 2.98Å; N731-K734 PolarHBondContact O-N 3.19Å; N731-Y735 HydrophobicContact CB-CD2 4.49Å; N731-Y735 HydrophobicContact CB-CE2 4.21Å; N731-Y735 WeakPolarHBondContact O-CD2 3.39Å; N731-Y735 PolarHBondContact O-N 2.98Å
732	A	94.9	Very high	92.7	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-55.4	-53.1	171.9	0	0	0	0	0	111.9	G719 H722 D728 K734 Y735 F736 Y754	G719-A732 WeakPolarHBondContact O-CB 3.28Å; H722-A732 HydrophobicContact CB-CB 4.1Å; D728-A732 WeakPolarHBondContact O-CB 2.77Å; D728-A732 PolarHBondContact O-N 2.89Å; A732-K734 VanDerWaalsContact C-N 3.31Å; A732-K734 PolarHBondContact O-N 3.04Å; A732-Y735 PolarHBondContact O-N 3.28Å; A732-F736 HydrophobicContact CB-CD2 4.48Å; A732-F736 HydrophobicContact CB-CE2 4.12Å; A732-F736 WeakPolarHBondContact O-CD2 3.43Å; A732-F736 WeakPolarHBondContact O-CG 3.45Å; A732-F736 PolarHBondContact O-N 3.08Å; A732-Y754 HydrophobicContact CB-CE1 4.25Å; A732-Y754 VanDerWaalsContact CB-OH 3.31Å; A732-Y754 WeakPolarHBondContact CB-OH 3.46Å
733	A	93.7	Very high	92.6	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-42.9	177.5	0	0	0	0	0	112.4	H729 F736 E737 Y754 N760	H729-A733 WeakPolarHBondContact O-CB 3.33Å; H729-A733 PolarHBondContact O-N 3.32Å; A733-F736 PolarHBondContact O-N 2.89Å; A733-E737 WeakPolarHBondContact O-CB 3.42Å; A733-E737 WeakPolarHBondContact O-CG 3.49Å; A733-E737 PolarHBondContact O-N 2.9Å; A733-Y754 HydrophobicContact CB-CD1 3.93Å; A733-Y754 HydrophobicContact CB-CE1 4.15Å; A733-N760 HydrophobicContact CB-CB 4.34Å
734	K	94.3	Very high	92.8	Very high	90 Å²	90	61.6 Å²	61.6	39%	0.391	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-41.8	177.6	-70.6	174.8	-177	-179.2	0	113.1	R730 N731 A732 E737 Q738	R730-K734 WeakPolarHBondContact O-CG 3.49Å; R730-K734 PolarHBondContact O-N 3.38Å; N731-K734 PolarHBondContact O-N 3.19Å; A732-K734 VanDerWaalsContact C-N 3.31Å; A732-K734 PolarHBondContact O-N 3.04Å; K734-E737 PolarHBondContact O-N 2.95Å; K734-Q738 WeakPolarHBondContact O-CG 3.46Å; K734-Q738 PolarHBondContact O-N 3.16Å
735	Y	96	Very high	93.1	Very high	62 Å²	62	58 Å²	58	24%	0.243	29%	0.288	C	S	.	.	H	α-helix	trans	-70	-35.6	176.7	-70.7	-57.1	0	0	0	112	L715 L718 H722 N731 A732 Q738 A739	L715-Y735 HydrophobicContact CD2-CD1 4.33Å; L718-Y735 HydrophobicContact CB-CD1 4.24Å; L718-Y735 HydrophobicContact CB-CD2 4.01Å; L718-Y735 HydrophobicContact CB-CE1 4.48Å; L718-Y735 HydrophobicContact CB-CE2 4.27Å; L718-Y735 HydrophobicContact CB-CG 4Å; L718-Y735 HydrophobicContact CD1-CD1 4.31Å; L718-Y735 HydrophobicContact CD1-CE1 3.99Å; H722-Y735 AromaticContact CD2-CD2 3.99Å; H722-Y735 AromaticContact CD2-CE2 3.55Å; H722-Y735 AromaticContact NE2-CE2 3.67Å; N731-Y735 HydrophobicContact CB-CD2 4.49Å; N731-Y735 HydrophobicContact CB-CE2 4.21Å; N731-Y735 WeakPolarHBondContact O-CD2 3.39Å; N731-Y735 PolarHBondContact O-N 2.98Å; A732-Y735 PolarHBondContact O-N 3.28Å; Y735-Q738 PolarHBondContact O-N 2.98Å; Y735-A739 VanDerWaalsContact O-CB 3.32Å; Y735-A739 WeakPolarHBondContact O-CB 3.5Å; Y735-A739 PolarHBondContact O-N 3.4Å
736	F	95.3	Very high	93.3	Very high	5 Å²	5	57.1 Å²	57.1	2%	0.022	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-40.7	172.4	-63.6	-47.4	0	0	0	112.5	N716 W720 A732 A733 Q738 A739 A740 N750 L751 Y754	N716-F736 WeakPolarHBondContact O-CE1 3.09Å; N716-F736 WeakPolarHBondContact OD1-CE1 3.26Å; W720-F736 HydrophobicContact CB-CZ 4.44Å; W720-F736 VanDerWaalsContact N-CZ 3.29Å; A732-F736 HydrophobicContact CB-CD2 4.48Å; A732-F736 HydrophobicContact CB-CE2 4.12Å; A732-F736 WeakPolarHBondContact O-CD2 3.43Å; A732-F736 WeakPolarHBondContact O-CG 3.45Å; A732-F736 PolarHBondContact O-N 3.08Å; A733-F736 PolarHBondContact O-N 2.89Å; F736-Q738 PolarHBondContact O-N 3.02Å; F736-A739 PolarHBondContact O-N 3.21Å; F736-A740 VanDerWaalsContact O-CB 3.26Å; F736-A740 WeakPolarHBondContact O-CB 3.21Å; F736-A740 PolarHBondContact O-N 3.46Å; F736-N750 HydrophobicContact CD1-CB 3.53Å; F736-N750 HydrophobicContact CD2-CB 4.06Å; F736-N750 HydrophobicContact CE1-CB 3.47Å; F736-N750 VanDerWaalsContact CE1-CB 3.47Å; F736-N750 WeakPolarHBondContact CE1-ND2 3.4Å; F736-N750 HydrophobicContact CE2-CB 4.01Å; F736-N750 HydrophobicContact CG-CB 3.83Å; F736-N750 HydrophobicContact CZ-CB 3.72Å; F736-L751 HydrophobicContact CB-CB 4.28Å; F736-Y754 HydrophobicContact CD2-CD2 4.24Å; F736-Y754 HydrophobicContact CD2-CE2 4.08Å; F736-Y754 HydrophobicContact CE2-CD2 4.2Å; F736-Y754 AromaticContact CE2-CE2 3.65Å; F736-Y754 HydrophobicContact CE2-CE2 3.65Å
737	E	93.9	Very high	93.5	Very high	63 Å²	63	53 Å²	53	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-44.3	171.7	-75.6	-179.4	168.1	0	0	110.9	A733 K734 L741 L751 K763	A733-E737 WeakPolarHBondContact O-CB 3.42Å; A733-E737 WeakPolarHBondContact O-CG 3.49Å; A733-E737 PolarHBondContact O-N 2.9Å; K734-E737 PolarHBondContact O-N 2.95Å; E737-L741 WeakPolarHBondContact O-CB 3.12Å; E737-L741 VanDerWaalsContact O-CG 3.24Å; E737-L741 WeakPolarHBondContact O-CG 3.48Å; E737-L741 PolarHBondContact O-N 2.85Å; E737-L751 HydrophobicContact CG-CD1 3.66Å; E737-L751 HydrophobicContact CG-CD2 4.02Å; E737-K763 IonicContact OE1-NZ 3.5Å; E737-K763 PolarHBondContact OE1-NZ 3.43Å
738	Q	94.8	Very high	93.7	Very high	90 Å²	90	45.9 Å²	45.9	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-43.1	175.1	-73.2	173.6	4.3	0	0	113.1	K734 Y735 F736 L741 N742	K734-Q738 WeakPolarHBondContact O-CG 3.46Å; K734-Q738 PolarHBondContact O-N 3.16Å; Y735-Q738 PolarHBondContact O-N 2.98Å; F736-Q738 PolarHBondContact O-N 3.02Å; Q738-L741 PolarHBondContact O-N 2.8Å; Q738-N742 PolarHBondContact O-N 3.02Å; Q738-N742 VanDerWaalsContact O-N 3.12Å
739	A	94.9	Very high	93.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-44.5	177.3	0	0	0	0	0	111.2	L715 N716 Y735 F736 N742 G743 S744	L715-A739 HydrophobicContact CB-CB 4.01Å; N716-A739 HydrophobicContact CB-CB 4.09Å; Y735-A739 VanDerWaalsContact O-CB 3.32Å; Y735-A739 WeakPolarHBondContact O-CB 3.5Å; Y735-A739 PolarHBondContact O-N 3.4Å; F736-A739 PolarHBondContact O-N 3.21Å; A739-N742 CarbonylContact O-C 3.57Å; A739-N742 PolarHBondContact O-N 2.9Å; A739-G743 PolarHBondContact O-N 3.14Å; A739-S744 WeakPolarHBondContact O-CB 3.41Å; A739-S744 PolarHBondContact O-N 2.88Å
740	A	94.3	Very high	93.8	Very high	11 Å²	11	44.2 Å²	44.2	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-43.3	177.4	0	0	0	0	0	112.4	F736 N742 G743 M748 L751	F736-A740 VanDerWaalsContact O-CB 3.26Å; F736-A740 WeakPolarHBondContact O-CB 3.21Å; F736-A740 PolarHBondContact O-N 3.46Å; A740-N742 PolarHBondContact O-N 3.02Å; A740-G743 PolarHBondContact O-N 3.01Å; A740-M748 HydrophobicContact CB-CB 4.41Å; A740-M748 HydrophobicContact CB-CG 3.68Å; A740-M748 VanDerWaalsContact O-CE 3.23Å; A740-M748 WeakPolarHBondContact O-CE 3.12Å; A740-L751 HydrophobicContact CB-CD2 4.09Å
741	L	93.6	Very high	93.9	Very high	147 Å²	147	38.7 Å²	38.7	77%	0.77	20%	0.2	S	C	*	.	H	α-helix	trans	-60.4	-33.8	174.8	-75.8	170	0	0	0	112.7	E737 Q738 G743	E737-L741 WeakPolarHBondContact O-CB 3.12Å; E737-L741 VanDerWaalsContact O-CG 3.24Å; E737-L741 WeakPolarHBondContact O-CG 3.48Å; E737-L741 PolarHBondContact O-N 2.85Å; Q738-L741 PolarHBondContact O-N 2.8Å; L741-G743 VanDerWaalsContact C-N 3.29Å
742	N	91.1	Very high	93.9	Very high	90 Å²	90	36.1 Å²	36.1	48%	0.481	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	7.2	177	-64.4	-9.1	0	0	0	113.5	I712 Q738 A739 A740	I712-N742 HydrophobicContact CD1-CB 4.37Å; I712-N742 VanDerWaalsContact CD1-O 3.3Å; I712-N742 WeakPolarHBondContact CD1-O 3Å; I712-N742 HydrophobicContact CG1-CB 3.97Å; I712-N742 HydrophobicContact CG2-CB 4.45Å; Q738-N742 PolarHBondContact O-N 3.02Å; Q738-N742 VanDerWaalsContact O-N 3.12Å; A739-N742 CarbonylContact O-C 3.57Å; A739-N742 PolarHBondContact O-N 2.9Å; A740-N742 PolarHBondContact O-N 3.02Å
743	G	89.6	Confident	93.9	Very high	32 Å²	32	38.5 Å²	38.5	33%	0.33	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	13.5	174.7	0	0	0	0	0	116.4	A739 A740 L741 D745	A739-G743 PolarHBondContact O-N 3.14Å; A740-G743 PolarHBondContact O-N 3.01Å; L741-G743 VanDerWaalsContact C-N 3.29Å; G743-D745 PolarHBondContact O-N 3.22Å
744	S	93.3	Very high	93.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.021	20%	0.201	C	C	.	.			trans	-67.8	120.3	173.8	-169.7	0	0	0	0	111.4	I712 A739 G747 M748	I712-S744 VanDerWaalsContact CG2-CB 3.48Å; A739-S744 WeakPolarHBondContact O-CB 3.41Å; A739-S744 PolarHBondContact O-N 2.88Å; S744-G747 PolarHBondContact O-N 3.46Å; S744-G747 PolarHBondContact OG-N 2.92Å; S744-M748 VanDerWaalsContact O-CG 3.26Å; S744-M748 WeakPolarHBondContact O-CG 3.42Å; S744-M748 PolarHBondContact O-N 3.31Å
745	D	93.1	Very high	93.7	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.16	19%	0.188	C	C	.	.	H	α-helix	trans	-71.1	-44.1	175.5	72.7	-44.6	0	0	0	111.5	G743 G747 M748 F749 A778 F781 H783	G743-D745 PolarHBondContact O-N 3.22Å; D745-G747 VanDerWaalsContact C-N 3.31Å; D745-G747 PolarHBondContact O-N 2.86Å; D745-M748 PolarHBondContact O-N 3.34Å; D745-F749 PolarHBondContact O-N 2.89Å; D745-A778 WeakPolarHBondContact O-CB 3.26Å; D745-F781 HydrophobicContact CB-CB 3.65Å; D745-H783 HydrophobicContact CB-CB 3.97Å; D745-H783 WeakPolarHBondContact OD2-CB 3.39Å; D745-H783 IonicContact OD2-CD2 2.68Å; D745-H783 IonicContact OD2-CG 3.03Å
746	D	91.6	Very high	93.5	Very high	45 Å²	45	34.3 Å²	34.3	24%	0.241	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-42.3	168.4	-76.1	-26.5	0	0	0	111.3	N716 F749 N750 H783	N716-D746 WeakPolarHBondContact ND2-CB 3.32Å; D746-F749 PolarHBondContact O-N 3.26Å; D746-N750 WeakPolarHBondContact O-CB 3.25Å; D746-N750 PolarHBondContact O-N 3.21Å; D746-N750 PolarHBondContact O-ND2 3.49Å; D746-N750 VanDerWaalsContact O-ND2 3.12Å; D746-H783 IonicContact OD1-CD2 3.02Å; D746-H783 PolarHBondContact OD1-CD2 2.76Å; D746-H783 IonicContact OD1-NE2 3.21Å; D746-H783 PolarHBondContact OD1-NE2 3.24Å
747	G	94.4	Very high	93.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-43.3	-179.8	0	0	0	0	0	112.8	S744 D745 N750 L751	S744-G747 PolarHBondContact O-N 3.46Å; S744-G747 PolarHBondContact OG-N 2.92Å; D745-G747 VanDerWaalsContact C-N 3.31Å; D745-G747 PolarHBondContact O-N 2.86Å; G747-N750 PolarHBondContact O-N 2.95Å; G747-L751 WeakPolarHBondContact O-CB 3.34Å; G747-L751 PolarHBondContact O-N 2.89Å
748	M	96	Very high	92.9	Very high	14 Å²	14	35 Å²	35	7%	0.069	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-45.7	170.8	-72.7	170.6	-158.7	0	0	111.1	A740 S744 D745 L751 G752 Q774 N777 A778 F781	A740-M748 HydrophobicContact CB-CB 4.41Å; A740-M748 HydrophobicContact CB-CG 3.68Å; A740-M748 VanDerWaalsContact O-CE 3.23Å; A740-M748 WeakPolarHBondContact O-CE 3.12Å; S744-M748 VanDerWaalsContact O-CG 3.26Å; S744-M748 WeakPolarHBondContact O-CG 3.42Å; S744-M748 PolarHBondContact O-N 3.31Å; D745-M748 PolarHBondContact O-N 3.34Å; M748-L751 PolarHBondContact O-N 2.98Å; M748-G752 PolarHBondContact O-N 3.46Å; M748-Q774 WeakPolarHBondContact O-CB 3.5Å; M748-N777 HydrophobicContact SD-CB 3.69Å; M748-A778 HydrophobicContact CB-CB 3.81Å; M748-F781 HydrophobicContact CE-CD2 4.03Å; M748-F781 HydrophobicContact CE-CE2 3.72Å; M748-F781 HydrophobicContact SD-CD2 3.92Å; M748-F781 HydrophobicContact SD-CE2 4.09Å
749	F	95.1	Very high	92.5	Very high	32 Å²	32	34.6 Å²	34.6	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-49	177	174.9	-105.6	0	0	0	112.2	D745 D746 L751 G752 I753 F775 A778 H783 A785 A786 E789	D745-F749 PolarHBondContact O-N 2.89Å; D746-F749 PolarHBondContact O-N 3.26Å; F749-L751 VanDerWaalsContact C-N 3.32Å; F749-L751 PolarHBondContact O-N 3.22Å; F749-G752 WeakPolarHBondContact O-CA 3.19Å; F749-G752 PolarHBondContact O-N 3.45Å; F749-G752 VanDerWaalsContact O-N 3.07Å; F749-I753 HydrophobicContact CD1-CG1 4.39Å; F749-I753 HydrophobicContact CE1-CD1 4.38Å; F749-I753 HydrophobicContact CE1-CG1 3.98Å; F749-I753 HydrophobicContact CE2-CD1 4.04Å; F749-I753 HydrophobicContact CE2-CG1 4.27Å; F749-I753 HydrophobicContact CZ-CD1 3.82Å; F749-I753 HydrophobicContact CZ-CG1 3.91Å; F749-I753 PolarHBondContact O-N 3.03Å; F749-F775 AromaticContact CD2-CD1 3.62Å; F749-F775 HydrophobicContact CD2-CD1 3.62Å; F749-F775 AromaticContact CD2-CE1 3.63Å; F749-F775 HydrophobicContact CD2-CE1 3.63Å; F749-F775 HydrophobicContact CE2-CD1 4.16Å; F749-F775 AromaticContact CE2-CE1 3.9Å; F749-F775 HydrophobicContact CE2-CE1 3.9Å; F749-F775 HydrophobicContact CG-CE1 4.49Å; F749-F775 WeakPolarHBondContact O-CE1 3.5Å; F749-A778 HydrophobicContact CB-CB 4.32Å; F749-H783 VanDerWaalsContact CB-CE1 3.42Å; F749-H783 WeakPolarHBondContact CB-CE1 3.47Å; F749-H783 AromaticContact CD1-CE1 3.38Å; F749-H783 WeakPolarHBondContact CD1-CE1 3.22Å; F749-H783 AromaticContact CD1-NE2 3.86Å; F749-H783 AromaticContact CD2-CE1 3.57Å; F749-H783 AromaticContact CD2-ND1 3.82Å; F749-H783 AromaticContact CE1-CE1 3.97Å; F749-H783 AromaticContact CG-CE1 3.14Å; F749-H783 WeakPolarHBondContact CG-CE1 3.27Å; F749-H783 AromaticContact CG-ND1 3.66Å; F749-H783 AromaticContact CG-NE2 3.88Å; F749-A785 HydrophobicContact CE1-CB 4.34Å; F749-A785 HydrophobicContact CE2-CB 3.91Å; F749-A785 HydrophobicContact CZ-CB 3.74Å; F749-A786 HydrophobicContact CB-CB 4.39Å; F749-A786 HydrophobicContact CD2-CB 3.71Å; F749-A786 HydrophobicContact CE2-CB 4.49Å; F749-A786 HydrophobicContact CG-CB 4.43Å; F749-E789 HydrophobicContact CE2-CG 4.48Å
750	N	94.4	Very high	92.1	Very high	34 Å²	34	35 Å²	35	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-38.3	179	-73.7	-40.4	0	0	0	112.2	N716 F736 D746 G747 I753 Y754	N716-N750 PolarHBondContact OD1-ND2 3.1Å; F736-N750 HydrophobicContact CD1-CB 3.53Å; F736-N750 HydrophobicContact CD2-CB 4.06Å; F736-N750 HydrophobicContact CE1-CB 3.47Å; F736-N750 VanDerWaalsContact CE1-CB 3.47Å; F736-N750 WeakPolarHBondContact CE1-ND2 3.4Å; F736-N750 HydrophobicContact CE2-CB 4.01Å; F736-N750 HydrophobicContact CG-CB 3.83Å; F736-N750 HydrophobicContact CZ-CB 3.72Å; D746-N750 WeakPolarHBondContact O-CB 3.25Å; D746-N750 PolarHBondContact O-N 3.21Å; D746-N750 PolarHBondContact O-ND2 3.49Å; D746-N750 VanDerWaalsContact O-ND2 3.12Å; G747-N750 PolarHBondContact O-N 2.95Å; N750-I753 PolarHBondContact O-N 3.16Å; N750-Y754 WeakPolarHBondContact O-CD2 3.23Å; N750-Y754 PolarHBondContact O-N 3.41Å
751	L	93.8	Very high	91.8	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-40.4	172.1	-177.1	60.1	0	0	0	112.1	F736 E737 A740 G747 M748 F749 Y754 H755 Q774	F736-L751 HydrophobicContact CB-CB 4.28Å; E737-L751 HydrophobicContact CG-CD1 3.66Å; E737-L751 HydrophobicContact CG-CD2 4.02Å; A740-L751 HydrophobicContact CB-CD2 4.09Å; G747-L751 WeakPolarHBondContact O-CB 3.34Å; G747-L751 PolarHBondContact O-N 2.89Å; M748-L751 PolarHBondContact O-N 2.98Å; F749-L751 VanDerWaalsContact C-N 3.32Å; F749-L751 PolarHBondContact O-N 3.22Å; L751-Y754 PolarHBondContact O-N 3.06Å; L751-H755 PolarHBondContact O-CD2 2.81Å; L751-H755 PolarHBondContact O-N 3.48Å; L751-Q774 HydrophobicContact CD2-CG 4.28Å; L751-Q774 HydrophobicContact CG-CG 4.33Å
752	G	94.5	Very high	91.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-41.6	173.2	0	0	0	0	0	112.9	M748 F749 H755 L756 A771 F775	M748-G752 PolarHBondContact O-N 3.46Å; F749-G752 WeakPolarHBondContact O-CA 3.19Å; F749-G752 PolarHBondContact O-N 3.45Å; F749-G752 VanDerWaalsContact O-N 3.07Å; G752-H755 PolarHBondContact O-N 3.49Å; G752-L756 PolarHBondContact O-N 3.38Å; G752-A771 VanDerWaalsContact O-CB 3.29Å; G752-A771 WeakPolarHBondContact O-CB 3.41Å; G752-F775 VanDerWaalsContact C-CZ 3.41Å
753	I	93.6	Very high	91.1	Very high	50 Å²	50	34.2 Å²	34.2	26%	0.256	19%	0.189	S	C	.	.	H	α-helix	trans	-60.6	-45.5	172.7	-64.5	-57.8	0	0	0	110.9	F749 N750 H755 L756 T757 F775	F749-I753 HydrophobicContact CD1-CG1 4.39Å; F749-I753 HydrophobicContact CE1-CD1 4.38Å; F749-I753 HydrophobicContact CE1-CG1 3.98Å; F749-I753 HydrophobicContact CE2-CD1 4.04Å; F749-I753 HydrophobicContact CE2-CG1 4.27Å; F749-I753 HydrophobicContact CZ-CD1 3.82Å; F749-I753 HydrophobicContact CZ-CG1 3.91Å; F749-I753 PolarHBondContact O-N 3.03Å; N750-I753 PolarHBondContact O-N 3.16Å; I753-H755 PolarHBondContact O-N 3.38Å; I753-L756 PolarHBondContact O-N 2.88Å; I753-T757 HydrophobicContact CG2-CG2 4.21Å; I753-T757 PolarHBondContact O-N 2.81Å; I753-T757 PolarHBondContact O-OG1 3.42Å; I753-F775 HydrophobicContact CD1-CE1 4.04Å; I753-F775 HydrophobicContact CD1-CZ 3.91Å; I753-F775 HydrophobicContact CG1-CE1 4.27Å; I753-F775 HydrophobicContact CG1-CZ 4.49Å
754	Y	92.6	Very high	90.7	Very high	16 Å²	16	37 Å²	37	6%	0.063	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-32.9	176.7	-91.2	-118.3	0	0	0	112.7	H729 A732 A733 F736 N750 L751 G758 E759 N760	H729-Y754 HydrophobicContact CB-CE1 4.06Å; H729-Y754 AromaticContact ND1-CZ 3.93Å; H729-Y754 PolarHBondContact ND1-OH 3.38Å; A732-Y754 HydrophobicContact CB-CE1 4.25Å; A732-Y754 VanDerWaalsContact CB-OH 3.31Å; A732-Y754 WeakPolarHBondContact CB-OH 3.46Å; A733-Y754 HydrophobicContact CB-CD1 3.93Å; A733-Y754 HydrophobicContact CB-CE1 4.15Å; F736-Y754 HydrophobicContact CD2-CD2 4.24Å; F736-Y754 HydrophobicContact CD2-CE2 4.08Å; F736-Y754 HydrophobicContact CE2-CD2 4.2Å; F736-Y754 AromaticContact CE2-CE2 3.65Å; F736-Y754 HydrophobicContact CE2-CE2 3.65Å; N750-Y754 WeakPolarHBondContact O-CD2 3.23Å; N750-Y754 PolarHBondContact O-N 3.41Å; L751-Y754 PolarHBondContact O-N 3.06Å; Y754-G758 PolarHBondContact O-N 3.22Å; Y754-E759 HydrophobicContact CD1-CB 4.26Å; Y754-E759 HydrophobicContact CE1-CB 4.24Å; Y754-N760 HydrophobicContact CD1-CB 4.25Å
755	H	92.1	Very high	90.3	Very high	25 Å²	25	44.5 Å²	44.5	12%	0.116	23%	0.229	C	C	.	.	H	α-helix	trans	-72.8	-30.3	171.8	-71	-37.9	0	0	0	113.5	L751 G752 I753 K766 N767 A771	L751-H755 PolarHBondContact O-CD2 2.81Å; L751-H755 PolarHBondContact O-N 3.48Å; G752-H755 PolarHBondContact O-N 3.49Å; I753-H755 PolarHBondContact O-N 3.38Å; H755-K766 WeakPolarHBondContact O-CA 3.26Å; H755-N767 PolarHBondContact O-N 3.19Å; H755-A771 HydrophobicContact CB-CB 3.86Å
756	L	91	Very high	90.1	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-75.1	-39.5	173.1	-72.4	-168.9	0	0	0	113.7	G752 I753 K766 E768 A771 F775 Y793	G752-L756 PolarHBondContact O-N 3.38Å; I753-L756 PolarHBondContact O-N 2.88Å; L756-K766 WeakPolarHBondContact O-CD 3.45Å; L756-K766 VanDerWaalsContact O-CG 3.27Å; L756-K766 WeakPolarHBondContact O-CG 3.35Å; L756-E768 HydrophobicContact CD2-CB 4.46Å; L756-E768 HydrophobicContact CD2-CG 4.16Å; L756-A771 HydrophobicContact CD2-CB 3.39Å; L756-A771 HydrophobicContact CG-CB 3.61Å; L756-F775 HydrophobicContact CD1-CE2 3.69Å; L756-F775 HydrophobicContact CD1-CZ 3.77Å; L756-F775 HydrophobicContact CG-CE2 3.98Å; L756-F775 HydrophobicContact CG-CZ 4.03Å; L756-Y793 WeakPolarHBondContact CD2-OH 3.29Å
757	T	89	Confident	90.1	Very high	72 Å²	72	49.1 Å²	49.1	44%	0.442	25%	0.249	S	C	.	.	H	α-helix	trans	-87	-23.4	-175.2	61.2	0	0	0	0	113.1	I753 E759	I753-T757 HydrophobicContact CG2-CG2 4.21Å; I753-T757 PolarHBondContact O-N 2.81Å; I753-T757 PolarHBondContact O-OG1 3.42Å; T757-E759 WeakPolarHBondContact CB-OE1 3.4Å; T757-E759 PolarHBondContact O-N 2.78Å; T757-E759 WeakPolarHBondContact OG1-CB 3.36Å; T757-E759 VanDerWaalsContact OG1-CG 3.31Å; T757-E759 WeakPolarHBondContact OG1-CG 3.47Å; T757-E759 PolarHBondContact OG1-N 3.09Å; T757-E759 PolarHBondContact OG1-OE1 2.97Å; T757-E759 VanDerWaalsContact OG1-OE1 3.08Å
758	G	87.7	Confident	89.8	Confident	12 Å²	12	50.8 Å²	50.8	12%	0.124	26%	0.256	C	S	.	.			trans	72.3	17.4	-173	0	0	0	0	0	113.2	Y754 N760 P764	Y754-G758 PolarHBondContact O-N 3.22Å; G758-N760 PolarHBondContact O-N 3.11Å; G758-P764 WeakPolarHBondContact O-CA 3.2Å
759	E	86.4	Confident	89.6	Confident	80 Å²	80	52.9 Å²	52.9	37%	0.374	27%	0.272	S	S	.	.			trans	-66.6	-14.1	-178.4	-83.5	172.2	-128.4	0	0	114.4	H729 Y754 T757 P761	H729-E759 WeakPolarHBondContact CB-O 3.41Å; H729-E759 IonicContact CE1-OE2 3.09Å; H729-E759 PolarHBondContact CE1-OE2 3.11Å; H729-E759 IonicContact ND1-OE2 3.08Å; H729-E759 PolarHBondContact ND1-OE2 3.28Å; H729-E759 VanDerWaalsContact ND1-OE2 3.08Å; Y754-E759 HydrophobicContact CD1-CB 4.26Å; Y754-E759 HydrophobicContact CE1-CB 4.24Å; T757-E759 WeakPolarHBondContact CB-OE1 3.4Å; T757-E759 PolarHBondContact O-N 2.78Å; T757-E759 WeakPolarHBondContact OG1-CB 3.36Å; T757-E759 VanDerWaalsContact OG1-CG 3.31Å; T757-E759 WeakPolarHBondContact OG1-CG 3.47Å; T757-E759 PolarHBondContact OG1-N 3.09Å; T757-E759 PolarHBondContact OG1-OE1 2.97Å; T757-E759 VanDerWaalsContact OG1-OE1 3.08Å; E759-P761 WeakPolarHBondContact O-CD 3.21Å
760	N	87.3	Confident	89.4	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.043	27%	0.273	C	S	.	.			trans	-70.4	113.9	176.3	-174.2	-15.2	0	0	0	110.5	A733 Y754 G758 D762 K763 P764	A733-N760 HydrophobicContact CB-CB 4.34Å; Y754-N760 HydrophobicContact CD1-CB 4.25Å; G758-N760 PolarHBondContact O-N 3.11Å; N760-D762 PolarHBondContact O-N 2.77Å; N760-D762 VanDerWaalsContact O-N 3.1Å; N760-D762 WeakPolarHBondContact OD1-CB 3.39Å; N760-D762 PolarHBondContact OD1-N 3.06Å; N760-K763 CarbonylContact O-C 3.53Å; N760-K763 PolarHBondContact O-N 2.93Å; N760-P764 WeakPolarHBondContact O-CA 3.49Å
761	P	87	Confident	89.4	Confident	70 Å²	70	50.6 Å²	50.6	46%	0.455	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.4	-178.4	-22.2	35.6	0	0	0	113.9	H729 R730 E759	H729-P761 HydrophobicContact CB-CG 4.26Å; R730-P761 HydrophobicContact CB-CG 4.22Å; E759-P761 WeakPolarHBondContact O-CD 3.21Å
762	D	86.3	Confident	89.4	Confident	75 Å²	75	51 Å²	51	40%	0.401	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-15	179.1	-58.8	-28.6	0	0	0	112	R730 N760	R730-D762 IonicContact CZ-OD1 3.2Å; R730-D762 IonicContact NE-OD1 2.91Å; R730-D762 PolarHBondContact NE-OD1 2.84Å; R730-D762 IonicContact NE-OD2 3.33Å; R730-D762 PolarHBondContact NE-OD2 2.77Å; R730-D762 IonicContact NH2-OD1 2.66Å; R730-D762 PolarHBondContact NH2-OD1 3.19Å; N760-D762 PolarHBondContact O-N 2.77Å; N760-D762 VanDerWaalsContact O-N 3.1Å; N760-D762 WeakPolarHBondContact OD1-CB 3.39Å; N760-D762 PolarHBondContact OD1-N 3.06Å
763	K	84.2	Confident	89.4	Confident	88 Å²	88	56.8 Å²	56.8	38%	0.383	29%	0.293	S	S	.	.	S	Bend	trans	-143.7	68.6	176.5	-63.2	172.1	-171	156.3	0	110.1	E737 N760 W765	E737-K763 IonicContact OE1-NZ 3.5Å; E737-K763 PolarHBondContact OE1-NZ 3.43Å; N760-K763 CarbonylContact O-C 3.53Å; N760-K763 PolarHBondContact O-N 2.93Å; K763-W765 HydrophobicContact CB-CH2 4.15Å; K763-W765 HydrophobicContact CB-CZ2 4.37Å; K763-W765 HydrophobicContact CB-CZ3 4.24Å; K763-W765 HydrophobicContact CG-CH2 4.11Å; K763-W765 HydrophobicContact CG-CZ2 4.41Å; K763-W765 PolarHBondContact O-N 2.87Å
764	P	82.5	Confident	89.5	Confident	91 Å²	91	56.4 Å²	56.4	59%	0.591	29%	0.29	S	S	*	.			trans	-77.6	25.1	-167.3	33.4	-39.3	0	0	0	114.8	G758 N760	G758-P764 WeakPolarHBondContact O-CA 3.2Å; N760-P764 WeakPolarHBondContact O-CA 3.49Å
765	W	84.5	Confident	89.7	Confident	159 Å²	159	55.6 Å²	55.6	60%	0.602	29%	0.287	S	S	*	.	S	Bend	trans	-120.4	144.8	179.7	65.7	88.7	0	0	0	111.1	K763	K763-W765 HydrophobicContact CB-CH2 4.15Å; K763-W765 HydrophobicContact CB-CZ2 4.37Å; K763-W765 HydrophobicContact CB-CZ3 4.24Å; K763-W765 HydrophobicContact CG-CH2 4.11Å; K763-W765 HydrophobicContact CG-CZ2 4.41Å; K763-W765 PolarHBondContact O-N 2.87Å
766	K	88.3	Confident	89.8	Confident	114 Å²	114	55.9 Å²	55.9	50%	0.496	29%	0.289	S	S	.	.			trans	-66	132.9	175.7	179.5	170.9	-177.6	-154.2	0	110.6	H755 L756 E768	H755-K766 WeakPolarHBondContact O-CA 3.26Å; L756-K766 WeakPolarHBondContact O-CD 3.45Å; L756-K766 VanDerWaalsContact O-CG 3.27Å; L756-K766 WeakPolarHBondContact O-CG 3.35Å; K766-E768 HydrophobicContact CD-CG 4.45Å; K766-E768 WeakPolarHBondContact CE-OE1 3.5Å; K766-E768 HydrophobicContact CG-CG 4.23Å; K766-E768 IonicContact NZ-OE1 2.61Å; K766-E768 PolarHBondContact NZ-OE1 3.11Å
767	N	90.8	Very high	90	Very high	59 Å²	59	57.3 Å²	57.3	32%	0.316	30%	0.297	S	S	.	.			trans	-135.3	88.3	176.7	-174.4	-11.6	0	0	0	110	H755 S769 A770 A771	H755-N767 PolarHBondContact O-N 3.19Å; N767-S769 VanDerWaalsContact C-N 3.33Å; N767-S769 PolarHBondContact O-N 3.29Å; N767-S769 PolarHBondContact OD1-N 3.14Å; N767-A770 HydrophobicContact CB-CB 4.22Å; N767-A770 VanDerWaalsContact CG-CB 3.49Å; N767-A770 WeakPolarHBondContact ND2-CB 3.48Å; N767-A770 PolarHBondContact O-N 3.36Å; N767-A770 PolarHBondContact OD1-N 3.43Å; N767-A770 VanDerWaalsContact OD1-N 3.09Å; N767-A771 WeakPolarHBondContact O-CB 3.47Å; N767-A771 PolarHBondContact O-N 3.31Å
768	E	89.1	Confident	90.3	Very high	34 Å²	34	53.9 Å²	53.9	16%	0.159	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-35.3	-178.2	-60.9	-165.5	160.6	0	0	113.1	H263 L756 K766 A771 F772 L799	H263-E768 IonicContact CD2-OE1 2.95Å; H263-E768 IonicContact CD2-OE2 2.93Å; H263-E768 IonicContact CE1-OE2 3.87Å; H263-E768 IonicContact NE2-OE1 2.71Å; H263-E768 PolarHBondContact NE2-OE1 3.27Å; H263-E768 VanDerWaalsContact NE2-OE1 3.16Å; H263-E768 IonicContact NE2-OE2 3.63Å; H263-E768 PolarHBondContact NE2-OE2 2.99Å; L756-E768 HydrophobicContact CD2-CB 4.46Å; L756-E768 HydrophobicContact CD2-CG 4.16Å; K766-E768 HydrophobicContact CD-CG 4.45Å; K766-E768 WeakPolarHBondContact CE-OE1 3.5Å; K766-E768 HydrophobicContact CG-CG 4.23Å; K766-E768 IonicContact NZ-OE1 2.61Å; K766-E768 PolarHBondContact NZ-OE1 3.11Å; E768-A771 PolarHBondContact O-N 3.15Å; E768-F772 WeakPolarHBondContact O-CB 3.45Å; E768-F772 PolarHBondContact O-N 2.92Å; E768-L799 HydrophobicContact CB-CD1 3.88Å
769	S	91.4	Very high	90.7	Very high	58 Å²	58	53.8 Å²	53.8	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-47.8	178.8	-53.1	0	0	0	0	111.7	N767 A771 F772 E773	N767-S769 VanDerWaalsContact C-N 3.33Å; N767-S769 PolarHBondContact O-N 3.29Å; N767-S769 PolarHBondContact OD1-N 3.14Å; S769-A771 VanDerWaalsContact C-N 3.33Å; S769-A771 PolarHBondContact O-N 3.4Å; S769-F772 PolarHBondContact O-N 3.03Å; S769-E773 PolarHBondContact O-N 3.16Å
770	A	91.5	Very high	90.9	Very high	19 Å²	19	57.8 Å²	57.8	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-37.9	176	0	0	0	0	0	111.9	N767 E773 Q774	N767-A770 HydrophobicContact CB-CB 4.22Å; N767-A770 VanDerWaalsContact CG-CB 3.49Å; N767-A770 WeakPolarHBondContact ND2-CB 3.48Å; N767-A770 PolarHBondContact O-N 3.36Å; N767-A770 PolarHBondContact OD1-N 3.43Å; N767-A770 VanDerWaalsContact OD1-N 3.09Å; A770-E773 PolarHBondContact O-N 3.11Å; A770-Q774 WeakPolarHBondContact O-CG 3.45Å; A770-Q774 PolarHBondContact O-N 3.02Å; A770-Q774 VanDerWaalsContact O-N 3.11Å
771	A	93.9	Very high	90.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-47.5	175.1	0	0	0	0	0	112.2	G752 H755 L756 N767 E768 S769 E773 Q774 F775	G752-A771 VanDerWaalsContact O-CB 3.29Å; G752-A771 WeakPolarHBondContact O-CB 3.41Å; H755-A771 HydrophobicContact CB-CB 3.86Å; L756-A771 HydrophobicContact CD2-CB 3.39Å; L756-A771 HydrophobicContact CG-CB 3.61Å; N767-A771 WeakPolarHBondContact O-CB 3.47Å; N767-A771 PolarHBondContact O-N 3.31Å; E768-A771 PolarHBondContact O-N 3.15Å; S769-A771 VanDerWaalsContact C-N 3.33Å; S769-A771 PolarHBondContact O-N 3.4Å; A771-E773 VanDerWaalsContact C-N 3.34Å; A771-E773 PolarHBondContact O-N 3.04Å; A771-Q774 PolarHBondContact O-N 3.38Å; A771-F775 HydrophobicContact CB-CD2 4.46Å; A771-F775 HydrophobicContact CB-CE2 3.85Å; A771-F775 HydrophobicContact CB-CZ 4.27Å; A771-F775 WeakPolarHBondContact O-CD2 3.29Å; A771-F775 VanDerWaalsContact O-CG 3.23Å; A771-F775 WeakPolarHBondContact O-CG 3.26Å; A771-F775 PolarHBondContact O-N 2.91Å
772	F	94.6	Very high	90.9	Very high	17 Å²	17	61.8 Å²	61.8	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-41.1	177.4	174.8	-101.8	0	0	0	112.3	E768 S769 F775 L776 V790 Y793 L794 L799 V802	E768-F772 WeakPolarHBondContact O-CB 3.45Å; E768-F772 PolarHBondContact O-N 2.92Å; S769-F772 PolarHBondContact O-N 3.03Å; F772-F775 PolarHBondContact O-N 3.36Å; F772-L776 HydrophobicContact CE1-CD2 4.19Å; F772-L776 HydrophobicContact CZ-CD2 4.44Å; F772-L776 VanDerWaalsContact O-CB 3.23Å; F772-L776 WeakPolarHBondContact O-CB 3.38Å; F772-L776 PolarHBondContact O-N 3.44Å; F772-V790 HydrophobicContact CE2-CG1 4.14Å; F772-V790 HydrophobicContact CE2-CG2 4.42Å; F772-Y793 AromaticContact CD2-CD2 3.63Å; F772-Y793 HydrophobicContact CD2-CD2 3.63Å; F772-Y793 HydrophobicContact CD2-CE2 4.45Å; F772-Y793 AromaticContact CD2-CG 3.68Å; F772-Y793 HydrophobicContact CD2-CG 3.68Å; F772-Y793 HydrophobicContact CE2-CD2 4.38Å; F772-Y793 HydrophobicContact CE2-CG 4.21Å; F772-L794 HydrophobicContact CZ-CD2 4.47Å; F772-L799 HydrophobicContact CB-CD2 3.5Å; F772-L799 HydrophobicContact CD1-CD2 3.88Å; F772-L799 HydrophobicContact CD2-CD2 4.47Å; F772-L799 HydrophobicContact CG-CD2 3.69Å; F772-V802 HydrophobicContact CD1-CG2 3.89Å; F772-V802 HydrophobicContact CE1-CG1 4.29Å; F772-V802 HydrophobicContact CE1-CG2 3.54Å; F772-V802 HydrophobicContact CZ-CG1 3.97Å; F772-V802 HydrophobicContact CZ-CG2 4.05Å
773	E	93.9	Very high	91.1	Very high	121 Å²	121	59 Å²	59	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-61.4	-43.3	174.5	-74.4	-177.7	173.6	0	0	112.3	S769 A770 A771 L776 N777	S769-E773 PolarHBondContact O-N 3.16Å; A770-E773 PolarHBondContact O-N 3.11Å; A771-E773 VanDerWaalsContact C-N 3.34Å; A771-E773 PolarHBondContact O-N 3.04Å; E773-L776 PolarHBondContact O-N 3.42Å; E773-N777 PolarHBondContact O-N 2.84Å; E773-N777 PolarHBondContact O-ND2 2.85Å
774	Q	95.6	Very high	91.4	Very high	42 Å²	42	55.2 Å²	55.2	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-42.5	176.1	-65.9	-57.3	-30.9	0	0	112.1	M748 L751 A770 A771 L776 N777 A778	M748-Q774 WeakPolarHBondContact O-CB 3.5Å; L751-Q774 HydrophobicContact CD2-CG 4.28Å; L751-Q774 HydrophobicContact CG-CG 4.33Å; A770-Q774 WeakPolarHBondContact O-CG 3.45Å; A770-Q774 PolarHBondContact O-N 3.02Å; A770-Q774 VanDerWaalsContact O-N 3.11Å; A771-Q774 PolarHBondContact O-N 3.38Å; Q774-L776 PolarHBondContact O-N 2.66Å; Q774-N777 PolarHBondContact O-N 3.17Å; Q774-A778 WeakPolarHBondContact O-CB 3.37Å; Q774-A778 PolarHBondContact O-N 3.28Å
775	F	96.1	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-37.2	174.8	-56.5	-41.4	0	0	0	112.4	F749 G752 I753 L756 A771 F772 N777 A778 S779 A786 E789 V790 Y793	F749-F775 AromaticContact CD2-CD1 3.62Å; F749-F775 HydrophobicContact CD2-CD1 3.62Å; F749-F775 AromaticContact CD2-CE1 3.63Å; F749-F775 HydrophobicContact CD2-CE1 3.63Å; F749-F775 HydrophobicContact CE2-CD1 4.16Å; F749-F775 AromaticContact CE2-CE1 3.9Å; F749-F775 HydrophobicContact CE2-CE1 3.9Å; F749-F775 HydrophobicContact CG-CE1 4.49Å; F749-F775 WeakPolarHBondContact O-CE1 3.5Å; G752-F775 VanDerWaalsContact C-CZ 3.41Å; I753-F775 HydrophobicContact CD1-CE1 4.04Å; I753-F775 HydrophobicContact CD1-CZ 3.91Å; I753-F775 HydrophobicContact CG1-CE1 4.27Å; I753-F775 HydrophobicContact CG1-CZ 4.49Å; L756-F775 HydrophobicContact CD1-CE2 3.69Å; L756-F775 HydrophobicContact CD1-CZ 3.77Å; L756-F775 HydrophobicContact CG-CE2 3.98Å; L756-F775 HydrophobicContact CG-CZ 4.03Å; A771-F775 HydrophobicContact CB-CD2 4.46Å; A771-F775 HydrophobicContact CB-CE2 3.85Å; A771-F775 HydrophobicContact CB-CZ 4.27Å; A771-F775 WeakPolarHBondContact O-CD2 3.29Å; A771-F775 VanDerWaalsContact O-CG 3.23Å; A771-F775 WeakPolarHBondContact O-CG 3.26Å; A771-F775 PolarHBondContact O-N 2.91Å; F772-F775 PolarHBondContact O-N 3.36Å; F775-N777 VanDerWaalsContact C-N 3.34Å; F775-A778 PolarHBondContact O-N 3.26Å; F775-S779 WeakPolarHBondContact O-CB 3.33Å; F775-S779 PolarHBondContact O-N 3.14Å; F775-A786 HydrophobicContact CB-CB 4.22Å; F775-A786 HydrophobicContact CD1-CB 4.44Å; F775-E789 HydrophobicContact CD2-CB 4.02Å; F775-E789 HydrophobicContact CE2-CB 4.35Å; F775-E789 HydrophobicContact CG-CB 4.31Å; F775-V790 VanDerWaalsContact C-CG2 3.44Å; F775-V790 HydrophobicContact CB-CG2 3.63Å; F775-Y793 HydrophobicContact CD2-CE2 4.38Å
776	L	95.1	Very high	92.3	Very high	30 Å²	30	44.4 Å²	44.4	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-38.2	176.6	-178.8	62.2	0	0	0	111.3	F772 E773 Q774 R780 V790	F772-L776 HydrophobicContact CE1-CD2 4.19Å; F772-L776 HydrophobicContact CZ-CD2 4.44Å; F772-L776 VanDerWaalsContact O-CB 3.23Å; F772-L776 WeakPolarHBondContact O-CB 3.38Å; F772-L776 PolarHBondContact O-N 3.44Å; E773-L776 PolarHBondContact O-N 3.42Å; Q774-L776 PolarHBondContact O-N 2.66Å; L776-R780 VanDerWaalsContact O-CG 3.28Å; L776-R780 WeakPolarHBondContact O-CG 3.44Å; L776-R780 PolarHBondContact O-N 3.18Å; L776-R780 VanDerWaalsContact O-N 3.14Å; L776-V790 HydrophobicContact CB-CG2 4.32Å; L776-V790 HydrophobicContact CD1-CG1 4.1Å
777	N	95.1	Very high	92.7	Very high	54 Å²	54	39.3 Å²	39.3	29%	0.289	20%	0.204	S	C	.	.	H	α-helix	trans	-68.2	-50.6	173.4	-69.9	-26.7	0	0	0	111.3	M748 E773 Q774 F775 S779 R780 F781	M748-N777 HydrophobicContact SD-CB 3.69Å; E773-N777 PolarHBondContact O-N 2.84Å; E773-N777 PolarHBondContact O-ND2 2.85Å; Q774-N777 PolarHBondContact O-N 3.17Å; F775-N777 VanDerWaalsContact C-N 3.34Å; N777-S779 VanDerWaalsContact C-N 3.26Å; N777-S779 PolarHBondContact O-N 3.47Å; N777-R780 WeakPolarHBondContact O-CB 3.41Å; N777-R780 PolarHBondContact O-N 2.8Å; N777-R780 PolarHBondContact OD1-NH1 3.12Å; N777-F781 VanDerWaalsContact O-CD2 3.27Å; N777-F781 WeakPolarHBondContact O-CD2 3.46Å; N777-F781 PolarHBondContact O-N 3.46Å
778	A	95.7	Very high	92.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-54.7	-41.5	174.9	0	0	0	0	0	112.5	D745 M748 F749 Q774 F775 R780 F781 G782 H783 A786	D745-A778 WeakPolarHBondContact O-CB 3.26Å; M748-A778 HydrophobicContact CB-CB 3.81Å; F749-A778 HydrophobicContact CB-CB 4.32Å; Q774-A778 WeakPolarHBondContact O-CB 3.37Å; Q774-A778 PolarHBondContact O-N 3.28Å; F775-A778 PolarHBondContact O-N 3.26Å; A778-R780 PolarHBondContact O-N 3.11Å; A778-F781 CarbonylContact O-C 3.56Å; A778-F781 PolarHBondContact O-N 2.93Å; A778-F781 VanDerWaalsContact O-N 3.16Å; A778-G782 PolarHBondContact O-N 3.11Å; A778-H783 HydrophobicContact CB-CB 3.94Å; A778-H783 VanDerWaalsContact O-CB 3.29Å; A778-H783 WeakPolarHBondContact O-CB 3.32Å; A778-H783 PolarHBondContact O-N 3.21Å; A778-A786 HydrophobicContact CB-CB 3.6Å
779	S	94.6	Very high	93	Very high	10 Å²	10	37.7 Å²	37.7	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-38.3	176.4	-179.9	0	0	0	0	112.6	F775 N777 F781 G782 S787	F775-S779 WeakPolarHBondContact O-CB 3.33Å; F775-S779 PolarHBondContact O-N 3.14Å; N777-S779 VanDerWaalsContact C-N 3.26Å; N777-S779 PolarHBondContact O-N 3.47Å; S779-F781 VanDerWaalsContact C-N 3.28Å; S779-F781 PolarHBondContact O-N 3.36Å; S779-G782 PolarHBondContact O-N 2.98Å; S779-S787 WeakPolarHBondContact CA-OG 3.01Å; S779-S787 WeakPolarHBondContact CB-OG 3.31Å; S779-S787 WeakPolarHBondContact OG-CB 3.48Å; S779-S787 PolarHBondContact OG-OG 2.96Å
780	R	91.3	Very high	93.2	Very high	164 Å²	164	34.9 Å²	34.9	62%	0.619	18%	0.177	S	C	*	.	H	α-helix	trans	-64.3	-31.1	173.5	-70.4	163.4	-178.2	172.8	-3.2	112.9	L776 N777 A778 G782	L776-R780 VanDerWaalsContact O-CG 3.28Å; L776-R780 WeakPolarHBondContact O-CG 3.44Å; L776-R780 PolarHBondContact O-N 3.18Å; L776-R780 VanDerWaalsContact O-N 3.14Å; N777-R780 WeakPolarHBondContact O-CB 3.41Å; N777-R780 PolarHBondContact O-N 2.8Å; N777-R780 PolarHBondContact OD1-NH1 3.12Å; A778-R780 PolarHBondContact O-N 3.11Å; R780-G782 VanDerWaalsContact C-N 3.27Å
781	F	88.4	Confident	93.4	Very high	133 Å²	133	34 Å²	34	58%	0.583	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	0.5	172.6	-71.5	-76.5	0	0	0	113.6	D745 M748 N777 A778 S779	D745-F781 HydrophobicContact CB-CB 3.65Å; M748-F781 HydrophobicContact CE-CD2 4.03Å; M748-F781 HydrophobicContact CE-CE2 3.72Å; M748-F781 HydrophobicContact SD-CD2 3.92Å; M748-F781 HydrophobicContact SD-CE2 4.09Å; N777-F781 VanDerWaalsContact O-CD2 3.27Å; N777-F781 WeakPolarHBondContact O-CD2 3.46Å; N777-F781 PolarHBondContact O-N 3.46Å; A778-F781 CarbonylContact O-C 3.56Å; A778-F781 PolarHBondContact O-N 2.93Å; A778-F781 VanDerWaalsContact O-N 3.16Å; S779-F781 VanDerWaalsContact C-N 3.28Å; S779-F781 PolarHBondContact O-N 3.36Å
782	G	86.9	Confident	93.4	Very high	30 Å²	30	35 Å²	35	31%	0.309	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	8.7	174.9	0	0	0	0	0	115.5	A778 S779 R780 A784	A778-G782 PolarHBondContact O-N 3.11Å; S779-G782 PolarHBondContact O-N 2.98Å; R780-G782 VanDerWaalsContact C-N 3.27Å; G782-A784 PolarHBondContact O-N 2.91Å
783	H	90.4	Very high	93.3	Very high	15 Å²	15	34.3 Å²	34.3	7%	0.069	17%	0.17	C	C	.	.			trans	-67.9	121.4	-179	-173.9	-92.6	0	0	0	112.1	D745 D746 F749 A778 A786 S787	D745-H783 HydrophobicContact CB-CB 3.97Å; D745-H783 WeakPolarHBondContact OD2-CB 3.39Å; D745-H783 IonicContact OD2-CD2 2.68Å; D745-H783 IonicContact OD2-CG 3.03Å; D746-H783 IonicContact OD1-CD2 3.02Å; D746-H783 PolarHBondContact OD1-CD2 2.76Å; D746-H783 IonicContact OD1-NE2 3.21Å; D746-H783 PolarHBondContact OD1-NE2 3.24Å; F749-H783 VanDerWaalsContact CB-CE1 3.42Å; F749-H783 WeakPolarHBondContact CB-CE1 3.47Å; F749-H783 AromaticContact CD1-CE1 3.38Å; F749-H783 WeakPolarHBondContact CD1-CE1 3.22Å; F749-H783 AromaticContact CD1-NE2 3.86Å; F749-H783 AromaticContact CD2-CE1 3.57Å; F749-H783 AromaticContact CD2-ND1 3.82Å; F749-H783 AromaticContact CE1-CE1 3.97Å; F749-H783 AromaticContact CG-CE1 3.14Å; F749-H783 WeakPolarHBondContact CG-CE1 3.27Å; F749-H783 AromaticContact CG-ND1 3.66Å; F749-H783 AromaticContact CG-NE2 3.88Å; A778-H783 HydrophobicContact CB-CB 3.94Å; A778-H783 VanDerWaalsContact O-CB 3.29Å; A778-H783 WeakPolarHBondContact O-CB 3.32Å; A778-H783 PolarHBondContact O-N 3.21Å; H783-A786 HydrophobicContact CB-CB 4.05Å; H783-A786 WeakPolarHBondContact ND1-CB 3.31Å; H783-A786 PolarHBondContact ND1-N 2.81Å; H783-S787 WeakPolarHBondContact O-CB 3.44Å; H783-S787 PolarHBondContact O-N 3.4Å; H783-S787 VanDerWaalsContact O-N 3.09Å; H783-S787 PolarHBondContact O-OG 2.96Å
784	A	90.2	Very high	93.3	Very high	9 Å²	9	29 Å²	29	7%	0.074	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-55.4	-169.6	0	0	0	0	0	113.8	G782 A786 S787 V788 V816	G782-A784 PolarHBondContact O-N 2.91Å; A784-A786 VanDerWaalsContact C-N 3.32Å; A784-A786 PolarHBondContact O-N 2.89Å; A784-S787 WeakPolarHBondContact O-CB 3.5Å; A784-S787 PolarHBondContact O-N 3.47Å; A784-S787 VanDerWaalsContact O-N 3.11Å; A784-V788 PolarHBondContact O-N 2.94Å; A784-V788 VanDerWaalsContact O-N 3.14Å; A784-V816 HydrophobicContact CB-CG1 3.98Å
785	A	91.6	Very high	93.3	Very high	24 Å²	24	27 Å²	27	20%	0.198	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-34.7	-177.1	0	0	0	0	0	112.3	F749 S787 V788 E789	F749-A785 HydrophobicContact CE1-CB 4.34Å; F749-A785 HydrophobicContact CE2-CB 3.91Å; F749-A785 HydrophobicContact CZ-CB 3.74Å; A785-S787 VanDerWaalsContact C-N 3.3Å; A785-S787 PolarHBondContact O-N 3.06Å; A785-V788 PolarHBondContact O-N 2.79Å; A785-E789 PolarHBondContact O-N 3.37Å
786	A	94.8	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-41.5	172.4	0	0	0	0	0	111.4	F749 F775 A778 H783 A784 V788 E789 V790	F749-A786 HydrophobicContact CB-CB 4.39Å; F749-A786 HydrophobicContact CD2-CB 3.71Å; F749-A786 HydrophobicContact CE2-CB 4.49Å; F749-A786 HydrophobicContact CG-CB 4.43Å; F775-A786 HydrophobicContact CB-CB 4.22Å; F775-A786 HydrophobicContact CD1-CB 4.44Å; A778-A786 HydrophobicContact CB-CB 3.6Å; H783-A786 HydrophobicContact CB-CB 4.05Å; H783-A786 WeakPolarHBondContact ND1-CB 3.31Å; H783-A786 PolarHBondContact ND1-N 2.81Å; A784-A786 VanDerWaalsContact C-N 3.32Å; A784-A786 PolarHBondContact O-N 2.89Å; A786-V788 VanDerWaalsContact C-N 3.3Å; A786-V788 PolarHBondContact O-N 3.04Å; A786-E789 PolarHBondContact O-N 3.04Å; A786-V790 WeakPolarHBondContact O-CB 3.28Å; A786-V790 VanDerWaalsContact O-CG2 3.26Å; A786-V790 WeakPolarHBondContact O-CG2 3.41Å; A786-V790 PolarHBondContact O-N 3.29Å
787	S	95.2	Very high	92.8	Very high	6 Å²	6	26 Å²	26	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-32.6	177.1	-58.2	0	0	0	0	112.5	S779 H783 A784 A785 A791	S779-S787 WeakPolarHBondContact CA-OG 3.01Å; S779-S787 WeakPolarHBondContact CB-OG 3.31Å; S779-S787 WeakPolarHBondContact OG-CB 3.48Å; S779-S787 PolarHBondContact OG-OG 2.96Å; H783-S787 WeakPolarHBondContact O-CB 3.44Å; H783-S787 PolarHBondContact O-N 3.4Å; H783-S787 VanDerWaalsContact O-N 3.09Å; H783-S787 PolarHBondContact O-OG 2.96Å; A784-S787 WeakPolarHBondContact O-CB 3.5Å; A784-S787 PolarHBondContact O-N 3.47Å; A784-S787 VanDerWaalsContact O-N 3.11Å; A785-S787 VanDerWaalsContact C-N 3.3Å; A785-S787 PolarHBondContact O-N 3.06Å; S787-A791 VanDerWaalsContact O-CB 3.26Å; S787-A791 WeakPolarHBondContact O-CB 3.38Å; S787-A791 PolarHBondContact O-N 2.9Å
788	V	93.8	Very high	92.3	Very high	20 Å²	20	23.8 Å²	23.8	12%	0.121	12%	0.121	C	C	.	.	H	α-helix	trans	-67.6	-45.8	172.4	-179.7	0	0	0	0	111.2	A784 A785 A786 A791 W792 L813	A784-V788 PolarHBondContact O-N 2.94Å; A784-V788 VanDerWaalsContact O-N 3.14Å; A785-V788 PolarHBondContact O-N 2.79Å; A786-V788 VanDerWaalsContact C-N 3.3Å; A786-V788 PolarHBondContact O-N 3.04Å; V788-A791 PolarHBondContact O-N 3.36Å; V788-W792 PolarHBondContact O-N 3.03Å; V788-L813 HydrophobicContact CB-CD2 4.3Å; V788-L813 HydrophobicContact CG1-CD2 4.4Å; V788-L813 HydrophobicContact CG2-CD2 3.89Å
789	E	93.9	Very high	91.9	Very high	39 Å²	39	24.4 Å²	24.4	18%	0.182	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-46.1	175.3	-71.3	-67.7	154.7	0	0	111.8	R351 F749 F775 A785 A786 A791 W792 Y793	R351-E789 IonicContact CZ-OE1 3.39Å; R351-E789 IonicContact CZ-OE2 3.23Å; R351-E789 VanDerWaalsContact CZ-OE2 3.23Å; R351-E789 IonicContact NH1-OE2 3.29Å; R351-E789 PolarHBondContact NH1-OE2 3.19Å; R351-E789 VanDerWaalsContact NH2-CD 3.25Å; R351-E789 IonicContact NH2-OE1 3.71Å; R351-E789 PolarHBondContact NH2-OE1 2.99Å; R351-E789 IonicContact NH2-OE2 2.69Å; R351-E789 PolarHBondContact NH2-OE2 3.11Å; F749-E789 HydrophobicContact CE2-CG 4.48Å; F775-E789 HydrophobicContact CD2-CB 4.02Å; F775-E789 HydrophobicContact CE2-CB 4.35Å; F775-E789 HydrophobicContact CG-CB 4.31Å; A785-E789 PolarHBondContact O-N 3.37Å; A786-E789 PolarHBondContact O-N 3.04Å; E789-A791 VanDerWaalsContact C-N 3.33Å; E789-A791 PolarHBondContact O-N 3.42Å; E789-W792 WeakPolarHBondContact O-CB 3.45Å; E789-W792 PolarHBondContact O-N 3.29Å; E789-W792 VanDerWaalsContact O-N 3.11Å; E789-Y793 WeakPolarHBondContact O-CD2 3.47Å; E789-Y793 PolarHBondContact O-N 3.08Å; E789-Y793 VanDerWaalsContact O-N 3.1Å
790	V	95.4	Very high	91.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-43.8	175.3	170.9	0	0	0	0	111.2	F772 F775 L776 A786 W792 Y793 L794 L812	F772-V790 HydrophobicContact CE2-CG1 4.14Å; F772-V790 HydrophobicContact CE2-CG2 4.42Å; F775-V790 VanDerWaalsContact C-CG2 3.44Å; F775-V790 HydrophobicContact CB-CG2 3.63Å; L776-V790 HydrophobicContact CB-CG2 4.32Å; L776-V790 HydrophobicContact CD1-CG1 4.1Å; A786-V790 WeakPolarHBondContact O-CB 3.28Å; A786-V790 VanDerWaalsContact O-CG2 3.26Å; A786-V790 WeakPolarHBondContact O-CG2 3.41Å; A786-V790 PolarHBondContact O-N 3.29Å; V790-W792 VanDerWaalsContact C-N 3.26Å; V790-W792 PolarHBondContact O-N 3.11Å; V790-Y793 PolarHBondContact O-N 3.09Å; V790-L794 HydrophobicContact CG1-CD1 3.78Å; V790-L794 HydrophobicContact CG1-CG 4.2Å; V790-L794 WeakPolarHBondContact O-CB 3.32Å; V790-L794 VanDerWaalsContact O-CG 3.3Å; V790-L794 WeakPolarHBondContact O-CG 3.42Å; V790-L794 PolarHBondContact O-N 2.79Å; V790-L812 HydrophobicContact CB-CD1 4.45Å; V790-L812 HydrophobicContact CG1-CD1 3.67Å
791	A	95.5	Very high	90.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-31.9	177	0	0	0	0	0	112.6	Y579 S787 V788 E789 S795 A809 L813	Y579-A791 HydrophobicContact CE2-CB 4.14Å; Y579-A791 WeakPolarHBondContact CE2-O 3.49Å; S787-A791 VanDerWaalsContact O-CB 3.26Å; S787-A791 WeakPolarHBondContact O-CB 3.38Å; S787-A791 PolarHBondContact O-N 2.9Å; V788-A791 PolarHBondContact O-N 3.36Å; E789-A791 VanDerWaalsContact C-N 3.33Å; E789-A791 PolarHBondContact O-N 3.42Å; A791-S795 VanDerWaalsContact O-CB 3.27Å; A791-S795 WeakPolarHBondContact O-CB 3.42Å; A791-S795 PolarHBondContact O-N 2.85Å; A791-S795 PolarHBondContact O-OG 2.84Å; A791-A809 HydrophobicContact CB-CB 3.98Å; A791-A809 WeakPolarHBondContact O-CB 3.49Å; A791-L813 HydrophobicContact CB-CD1 3.77Å; A791-L813 HydrophobicContact CB-CD2 3.95Å; A791-L813 HydrophobicContact CB-CG 3.59Å
792	W	93.1	Very high	90.8	Very high	22 Å²	22	24.9 Å²	24.9	8%	0.083	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-45.7	172.7	179.5	81.1	0	0	0	112.5	H263 Y344 R351 Y579 V788 E789 V790 L794 S795 T796	H263-W792 AromaticContact CE1-CH2 3.7Å; H263-W792 AromaticContact ND1-CH2 3.72Å; Y344-W792 WeakPolarHBondContact OH-CZ2 3.48Å; R351-W792 VanDerWaalsContact NH1-CZ3 3.31Å; Y579-W792 WeakPolarHBondContact OH-CA 3.42Å; V788-W792 PolarHBondContact O-N 3.03Å; E789-W792 WeakPolarHBondContact O-CB 3.45Å; E789-W792 PolarHBondContact O-N 3.29Å; E789-W792 VanDerWaalsContact O-N 3.11Å; V790-W792 VanDerWaalsContact C-N 3.26Å; V790-W792 PolarHBondContact O-N 3.11Å; W792-L794 VanDerWaalsContact C-N 3.33Å; W792-L794 PolarHBondContact O-N 2.92Å; W792-S795 PolarHBondContact O-N 2.9Å; W792-S795 PolarHBondContact O-OG 3.34Å; W792-S795 VanDerWaalsContact O-OG 3.11Å; W792-T796 HydrophobicContact CD2-CG2 4.43Å; W792-T796 HydrophobicContact CZ2-CG2 4.38Å; W792-T796 WeakPolarHBondContact O-CB 3.22Å; W792-T796 WeakPolarHBondContact O-CG2 3.35Å; W792-T796 PolarHBondContact O-N 2.9Å; W792-T796 PolarHBondContact O-OG1 2.98Å
793	Y	93	Very high	90.9	Very high	2 Å²	2	28 Å²	28	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-39.3	174.4	-75.3	-73.4	0	0	0	112.3	L756 F772 F775 E789 V790 T796 G797 L799	L756-Y793 WeakPolarHBondContact CD2-OH 3.29Å; F772-Y793 AromaticContact CD2-CD2 3.63Å; F772-Y793 HydrophobicContact CD2-CD2 3.63Å; F772-Y793 HydrophobicContact CD2-CE2 4.45Å; F772-Y793 AromaticContact CD2-CG 3.68Å; F772-Y793 HydrophobicContact CD2-CG 3.68Å; F772-Y793 HydrophobicContact CE2-CD2 4.38Å; F772-Y793 HydrophobicContact CE2-CG 4.21Å; F775-Y793 HydrophobicContact CD2-CE2 4.38Å; E789-Y793 WeakPolarHBondContact O-CD2 3.47Å; E789-Y793 PolarHBondContact O-N 3.08Å; E789-Y793 VanDerWaalsContact O-N 3.1Å; V790-Y793 PolarHBondContact O-N 3.09Å; Y793-T796 PolarHBondContact O-OG1 2.92Å; Y793-G797 WeakPolarHBondContact O-CA 3.22Å; Y793-G797 PolarHBondContact O-N 2.88Å; Y793-L799 HydrophobicContact CD1-CB 3.92Å; Y793-L799 HydrophobicContact CD1-CD2 4.45Å; Y793-L799 HydrophobicContact CE1-CB 4.33Å
794	L	94.6	Very high	90.9	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-71.9	-33.8	178.5	-69.4	176.7	0	0	0	113.4	F772 V790 W792 V802 R804 D805 R808 A809 L812	F772-L794 HydrophobicContact CZ-CD2 4.47Å; V790-L794 HydrophobicContact CG1-CD1 3.78Å; V790-L794 HydrophobicContact CG1-CG 4.2Å; V790-L794 WeakPolarHBondContact O-CB 3.32Å; V790-L794 VanDerWaalsContact O-CG 3.3Å; V790-L794 WeakPolarHBondContact O-CG 3.42Å; V790-L794 PolarHBondContact O-N 2.79Å; W792-L794 VanDerWaalsContact C-N 3.33Å; W792-L794 PolarHBondContact O-N 2.92Å; L794-V802 HydrophobicContact CD2-CG1 3.99Å; L794-R804 CarbonylContact O-C 3.47Å; L794-R804 WeakPolarHBondContact O-CA 3.07Å; L794-R804 WeakPolarHBondContact O-CG 3.22Å; L794-D805 HydrophobicContact CD2-CB 4.45Å; L794-D805 PolarHBondContact O-N 2.97Å; L794-R808 HydrophobicContact CD1-CB 4.24Å; L794-R808 HydrophobicContact CD1-CG 3.89Å; L794-A809 HydrophobicContact CB-CB 3.98Å; L794-L812 HydrophobicContact CD1-CD1 3.96Å
795	S	93.9	Very high	91.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-79.9	-32.4	179.6	64.6	0	0	0	0	113.6	Y579 A791 W792 R804	Y579-S795 WeakPolarHBondContact CE1-OG 3.38Å; Y579-S795 VanDerWaalsContact CE2-OG 3.29Å; Y579-S795 WeakPolarHBondContact CE2-OG 3.46Å; Y579-S795 PolarHBondContact OH-OG 3.05Å; A791-S795 VanDerWaalsContact O-CB 3.27Å; A791-S795 WeakPolarHBondContact O-CB 3.42Å; A791-S795 PolarHBondContact O-N 2.85Å; A791-S795 PolarHBondContact O-OG 2.84Å; W792-S795 PolarHBondContact O-N 2.9Å; W792-S795 PolarHBondContact O-OG 3.34Å; W792-S795 VanDerWaalsContact O-OG 3.11Å; S795-R804 PolarHBondContact O-NE 3.35Å; S795-R804 PolarHBondContact O-NH2 3.34Å
796	T	91.3	Very high	91.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-82.3	-41.5	174.2	55.3	0	0	0	0	112.1	V212 Y344 W792 Y793 S798	V212-T796 HydrophobicContact CG1-CG2 3.95Å; Y344-T796 HydrophobicContact CD1-CG2 4Å; Y344-T796 HydrophobicContact CD2-CG2 4.13Å; Y344-T796 HydrophobicContact CE1-CG2 3.72Å; Y344-T796 HydrophobicContact CE2-CG2 3.86Å; Y344-T796 HydrophobicContact CG-CG2 4.2Å; W792-T796 HydrophobicContact CD2-CG2 4.43Å; W792-T796 HydrophobicContact CZ2-CG2 4.38Å; W792-T796 WeakPolarHBondContact O-CB 3.22Å; W792-T796 WeakPolarHBondContact O-CG2 3.35Å; W792-T796 PolarHBondContact O-N 2.9Å; W792-T796 PolarHBondContact O-OG1 2.98Å; Y793-T796 PolarHBondContact O-OG1 2.92Å; T796-S798 PolarHBondContact OG1-N 2.82Å; T796-S798 PolarHBondContact OG1-OG 3.11Å
797	G	89.8	Confident	91.2	Very high	8 Å²	8	36.9 Å²	36.9	8%	0.082	21%	0.205	C	C	.	.			trans	64.1	27.5	-166.6	0	0	0	0	0	112.8	R214 Y793 L799	R214-G797 PolarHBondContact NH1-O 2.84Å; Y793-G797 WeakPolarHBondContact O-CA 3.22Å; Y793-G797 PolarHBondContact O-N 2.88Å; G797-L799 VanDerWaalsContact C-N 3.35Å
798	S	85.4	Confident	91.1	Very high	7 Å²	7	42.3 Å²	42.3	5%	0.049	22%	0.224	C	C	.	.			trans	-67.1	-31.9	-176.4	53.4	0	0	0	0	113.4	T796	T796-S798 PolarHBondContact OG1-N 2.82Å; T796-S798 PolarHBondContact OG1-OG 3.11Å
799	L	86.6	Confident	91.2	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.073	22%	0.219	C	C	.	.	S	Bend	trans	-80.2	122.1	-174.9	-175.4	63	0	0	0	112.3	E768 F772 Y793 G797 G801 V802	E768-L799 HydrophobicContact CB-CD1 3.88Å; F772-L799 HydrophobicContact CB-CD2 3.5Å; F772-L799 HydrophobicContact CD1-CD2 3.88Å; F772-L799 HydrophobicContact CD2-CD2 4.47Å; F772-L799 HydrophobicContact CG-CD2 3.69Å; Y793-L799 HydrophobicContact CD1-CB 3.92Å; Y793-L799 HydrophobicContact CD1-CD2 4.45Å; Y793-L799 HydrophobicContact CE1-CB 4.33Å; G797-L799 VanDerWaalsContact C-N 3.35Å; L799-G801 PolarHBondContact O-N 3.11Å; L799-V802 HydrophobicContact CB-CB 4.32Å; L799-V802 HydrophobicContact CB-CG2 4.24Å; L799-V802 HydrophobicContact CD2-CG2 3.83Å; L799-V802 HydrophobicContact CG-CG2 4.14Å; L799-V802 PolarHBondContact O-N 3.09Å
800	R	82.3	Confident	91.3	Very high	196 Å²	196	39.5 Å²	39.5	74%	0.74	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	123.2	176.9	-69.3	-175.8	176.9	159.3	5.9	111.6	E261	E261-R800 IonicContact OE2-NE 2.61Å; E261-R800 IonicContact OE2-NH2 3.61Å
801	G	82.3	Confident	91.2	Very high	90 Å²	90	41.2 Å²	41.2	93%	0.928	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.1	-14.2	-176.5	0	0	0	0	0	114.6	L799	L799-G801 PolarHBondContact O-N 3.11Å
802	V	86.8	Confident	91.1	Very high	31 Å²	31	42.8 Å²	42.8	19%	0.188	23%	0.229	C	C	.	.			trans	-100.4	113.5	174.5	-178.3	0	0	0	0	109.7	F772 L794 L799	F772-V802 HydrophobicContact CD1-CG2 3.89Å; F772-V802 HydrophobicContact CE1-CG1 4.29Å; F772-V802 HydrophobicContact CE1-CG2 3.54Å; F772-V802 HydrophobicContact CZ-CG1 3.97Å; F772-V802 HydrophobicContact CZ-CG2 4.05Å; L794-V802 HydrophobicContact CD2-CG1 3.99Å; L799-V802 HydrophobicContact CB-CB 4.32Å; L799-V802 HydrophobicContact CB-CG2 4.24Å; L799-V802 HydrophobicContact CD2-CG2 3.83Å; L799-V802 HydrophobicContact CG-CG2 4.14Å; L799-V802 PolarHBondContact O-N 3.09Å
803	S	88.2	Confident	91.1	Very high	96 Å²	96	41.8 Å²	41.8	67%	0.671	23%	0.225	S	C	*	.			trans	-72.7	136.2	173.7	56.7	0	0	0	0	111.4	D805	S803-D805 PolarHBondContact O-N 3.23Å
804	R	91.3	Very high	91.1	Very high	74 Å²	74	42.3 Å²	42.3	28%	0.279	23%	0.228	S	C	.	.			trans	-54.1	122	171.9	-171.1	-173.4	-167	-110.8	-2.8	111.7	V212 D576 L794 S795 V806	V212-R804 PolarHBondContact O-NH2 2.95Å; V212-R804 VanDerWaalsContact O-NH2 3.07Å; D576-R804 VanDerWaalsContact CG-NH2 3.33Å; D576-R804 IonicContact OD1-CZ 2.67Å; D576-R804 IonicContact OD1-NH1 3.09Å; D576-R804 PolarHBondContact OD1-NH1 3.07Å; D576-R804 IonicContact OD1-NH2 2.74Å; D576-R804 PolarHBondContact OD1-NH2 2.96Å; D576-R804 IonicContact OD2-NH1 3.62Å; D576-R804 IonicContact OD2-NH2 2.93Å; L794-R804 CarbonylContact O-C 3.47Å; L794-R804 WeakPolarHBondContact O-CA 3.07Å; L794-R804 WeakPolarHBondContact O-CG 3.22Å; S795-R804 PolarHBondContact O-NE 3.35Å; S795-R804 PolarHBondContact O-NH2 3.34Å; R804-V806 HydrophobicContact CG-CG2 4.19Å; R804-V806 VanDerWaalsContact NH1-CG2 3.34Å
805	D	94.4	Very high	90.8	Very high	59 Å²	59	45 Å²	45	32%	0.316	24%	0.242	S	C	.	.			trans	-140.8	87.4	178.8	-178.2	-4.5	0	0	0	110	L794 S803 Q807 R808 A809	L794-D805 HydrophobicContact CD2-CB 4.45Å; L794-D805 PolarHBondContact O-N 2.97Å; S803-D805 PolarHBondContact O-N 3.23Å; D805-Q807 PolarHBondContact OD1-N 3.02Å; D805-R808 HydrophobicContact CB-CB 4.29Å; D805-R808 WeakPolarHBondContact OD1-CB 3.48Å; D805-R808 PolarHBondContact OD1-N 3.03Å; D805-R808 WeakPolarHBondContact OD2-CB 3.47Å; D805-A809 PolarHBondContact O-N 3.39Å; D805-A809 VanDerWaalsContact O-N 3.16Å
806	V	94.8	Very high	90.6	Very high	14 Å²	14	45.4 Å²	45.4	9%	0.085	24%	0.244	C	C	.	.	H	α-helix	trans	-71.6	-32.5	-176.8	-167.2	0	0	0	0	111.6	L575 D576 R804 R808 A809 V810	L575-V806 HydrophobicContact CB-CB 4.32Å; L575-V806 HydrophobicContact CB-CG1 3.8Å; L575-V806 WeakPolarHBondContact O-CG1 3.44Å; D576-V806 WeakPolarHBondContact OD1-CG1 3.21Å; D576-V806 WeakPolarHBondContact OD1-CG2 3.36Å; R804-V806 HydrophobicContact CG-CG2 4.19Å; R804-V806 VanDerWaalsContact NH1-CG2 3.34Å; V806-R808 VanDerWaalsContact C-N 3.35Å; V806-R808 PolarHBondContact O-N 3.29Å; V806-A809 WeakPolarHBondContact O-CB 3.43Å; V806-A809 PolarHBondContact O-N 3.22Å; V806-V810 HydrophobicContact CG1-CG2 4.35Å; V806-V810 WeakPolarHBondContact O-CG2 3.48Å; V806-V810 PolarHBondContact O-N 2.95Å
807	Q	94.1	Very high	90.6	Very high	87 Å²	87	45.4 Å²	45.4	41%	0.407	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-47.6	178.6	179.8	59.2	54	0	0	110	L575 D805 A809 V810 T811	L575-Q807 HydrophobicContact CD1-CB 4.11Å; L575-Q807 VanDerWaalsContact CD1-OE1 3.3Å; D805-Q807 PolarHBondContact OD1-N 3.02Å; Q807-A809 VanDerWaalsContact C-N 3.35Å; Q807-A809 PolarHBondContact O-N 3.27Å; Q807-V810 PolarHBondContact O-N 3.04Å; Q807-T811 PolarHBondContact NE2-OG1 3.02Å; Q807-T811 PolarHBondContact O-N 2.91Å; Q807-T811 PolarHBondContact O-OG1 3.32Å
808	R	93.6	Very high	90.3	Very high	119 Å²	119	45.6 Å²	45.6	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-64.8	-37.8	175.6	-173.2	178	-173.7	163.6	6.8	112.5	L794 D805 V806 T811 L812	L794-R808 HydrophobicContact CD1-CB 4.24Å; L794-R808 HydrophobicContact CD1-CG 3.89Å; D805-R808 HydrophobicContact CB-CB 4.29Å; D805-R808 WeakPolarHBondContact OD1-CB 3.48Å; D805-R808 PolarHBondContact OD1-N 3.03Å; D805-R808 WeakPolarHBondContact OD2-CB 3.47Å; V806-R808 VanDerWaalsContact C-N 3.35Å; V806-R808 PolarHBondContact O-N 3.29Å; R808-T811 PolarHBondContact O-N 3.39Å; R808-L812 HydrophobicContact CG-CD1 4.41Å; R808-L812 WeakPolarHBondContact O-CB 3.45Å; R808-L812 WeakPolarHBondContact O-CG 3.47Å; R808-L812 PolarHBondContact O-N 3.39Å
809	A	95.5	Very high	90.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-46.2	173.9	0	0	0	0	0	112	Y579 A791 L794 D805 V806 Q807 L812 L813	Y579-A809 HydrophobicContact CD2-CB 4.1Å; Y579-A809 HydrophobicContact CE2-CB 4.5Å; A791-A809 HydrophobicContact CB-CB 3.98Å; A791-A809 WeakPolarHBondContact O-CB 3.49Å; L794-A809 HydrophobicContact CB-CB 3.98Å; D805-A809 PolarHBondContact O-N 3.39Å; D805-A809 VanDerWaalsContact O-N 3.16Å; V806-A809 WeakPolarHBondContact O-CB 3.43Å; V806-A809 PolarHBondContact O-N 3.22Å; Q807-A809 VanDerWaalsContact C-N 3.35Å; Q807-A809 PolarHBondContact O-N 3.27Å; A809-L812 PolarHBondContact O-N 2.96Å; A809-L813 WeakPolarHBondContact O-CG 3.31Å; A809-L813 PolarHBondContact O-N 3.18Å
810	V	95.6	Very high	89.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-46.6	177.1	170.4	0	0	0	0	111.2	A565 L575 A578 Y582 V806 Q807 L812 L813 Q814	A565-V810 HydrophobicContact CB-CG1 4.36Å; L575-V810 WeakPolarHBondContact O-CG2 3.18Å; A578-V810 HydrophobicContact CB-CG1 4.42Å; A578-V810 HydrophobicContact CB-CG2 4.22Å; Y582-V810 HydrophobicContact CD2-CG1 4.08Å; Y582-V810 HydrophobicContact CE2-CG1 4.15Å; V806-V810 HydrophobicContact CG1-CG2 4.35Å; V806-V810 WeakPolarHBondContact O-CG2 3.48Å; V806-V810 PolarHBondContact O-N 2.95Å; Q807-V810 PolarHBondContact O-N 3.04Å; V810-L812 PolarHBondContact O-N 2.96Å; V810-L813 PolarHBondContact O-N 3.11Å; V810-Q814 HydrophobicContact CG1-CG 4.27Å; V810-Q814 WeakPolarHBondContact O-CB 3.2Å; V810-Q814 WeakPolarHBondContact O-CG 3.33Å; V810-Q814 PolarHBondContact O-N 2.99Å
811	T	92.4	Very high	89.8	Confident	36 Å²	36	41.3 Å²	41.3	22%	0.221	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-39.1	178.8	-59.6	0	0	0	0	112.4	Q807 R808 N815	Q807-T811 PolarHBondContact NE2-OG1 3.02Å; Q807-T811 PolarHBondContact O-N 2.91Å; Q807-T811 PolarHBondContact O-OG1 3.32Å; R808-T811 PolarHBondContact O-N 3.39Å; T811-N815 PolarHBondContact O-N 2.95Å
812	L	93.4	Very high	89.9	Confident	34 Å²	34	38.1 Å²	38.1	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-48.4	172.9	-75.9	174.3	0	0	0	111.7	V790 L794 R808 A809 V810 Q814 N815 V816	V790-L812 HydrophobicContact CB-CD1 4.45Å; V790-L812 HydrophobicContact CG1-CD1 3.67Å; L794-L812 HydrophobicContact CD1-CD1 3.96Å; R808-L812 HydrophobicContact CG-CD1 4.41Å; R808-L812 WeakPolarHBondContact O-CB 3.45Å; R808-L812 WeakPolarHBondContact O-CG 3.47Å; R808-L812 PolarHBondContact O-N 3.39Å; A809-L812 PolarHBondContact O-N 2.96Å; V810-L812 PolarHBondContact O-N 2.96Å; L812-Q814 PolarHBondContact O-N 3.05Å; L812-N815 PolarHBondContact O-N 2.91Å; L812-V816 PolarHBondContact O-N 3.42Å; L812-V816 VanDerWaalsContact O-N 3.17Å
813	L	94.4	Very high	89.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-36.8	179.6	-69.6	167.5	0	0	0	112.6	Y579 V788 A791 A809 V810 N815 V816 C817	Y579-L813 HydrophobicContact CD2-CD1 3.55Å; Y579-L813 HydrophobicContact CE2-CD1 3.7Å; V788-L813 HydrophobicContact CB-CD2 4.3Å; V788-L813 HydrophobicContact CG1-CD2 4.4Å; V788-L813 HydrophobicContact CG2-CD2 3.89Å; A791-L813 HydrophobicContact CB-CD1 3.77Å; A791-L813 HydrophobicContact CB-CD2 3.95Å; A791-L813 HydrophobicContact CB-CG 3.59Å; A809-L813 WeakPolarHBondContact O-CG 3.31Å; A809-L813 PolarHBondContact O-N 3.18Å; V810-L813 PolarHBondContact O-N 3.11Å; L813-N815 VanDerWaalsContact C-N 3.28Å; L813-N815 PolarHBondContact O-N 3.18Å; L813-V816 PolarHBondContact O-N 2.99Å; L813-C817 WeakPolarHBondContact O-CB 3.5Å; L813-C817 PolarHBondContact O-N 3.39Å; L813-C817 PolarHBondContact O-SG 3.37Å
814	Q	91.6	Very high	89.6	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.065	16%	0.156	C	C	.	.	H	α-helix	trans	-56.6	-44.1	173.3	-80.8	174	-27.5	0	0	111.1	Y582 V810 L812 V816 C817 K818	Y582-Q814 HydrophobicContact CD1-CG 4.45Å; Y582-Q814 HydrophobicContact CD2-CG 4.12Å; Y582-Q814 HydrophobicContact CE1-CG 3.99Å; Y582-Q814 HydrophobicContact CE2-CG 3.61Å; Y582-Q814 PolarHBondContact OH-NE2 2.75Å; V810-Q814 HydrophobicContact CG1-CG 4.27Å; V810-Q814 WeakPolarHBondContact O-CB 3.2Å; V810-Q814 WeakPolarHBondContact O-CG 3.33Å; V810-Q814 PolarHBondContact O-N 2.99Å; L812-Q814 PolarHBondContact O-N 3.05Å; Q814-V816 PolarHBondContact O-N 3.42Å; Q814-C817 PolarHBondContact O-N 3.12Å; Q814-K818 VanDerWaalsContact O-CG 3.25Å; Q814-K818 WeakPolarHBondContact O-CG 3.12Å; Q814-K818 PolarHBondContact O-N 3.32Å
815	N	88.8	Confident	89.1	Confident	66 Å²	66	29.8 Å²	29.8	35%	0.353	15%	0.148	S	C	.	.	H	α-helix	trans	-66.2	-37.5	178	-68.1	-8.5	0	0	0	112.3	T811 L812 L813 K818 Q819	T811-N815 PolarHBondContact O-N 2.95Å; L812-N815 PolarHBondContact O-N 2.91Å; L813-N815 VanDerWaalsContact C-N 3.28Å; L813-N815 PolarHBondContact O-N 3.18Å; N815-K818 PolarHBondContact OD1-NZ 3.42Å; N815-Q819 PolarHBondContact O-N 3.34Å
816	V	90.6	Very high	88.7	Confident	8 Å²	8	27.2 Å²	27.2	5%	0.048	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-46.4	171.5	176.3	0	0	0	0	111.6	A784 L812 L813 Q814 K818 Q819	A784-V816 HydrophobicContact CB-CG1 3.98Å; L812-V816 PolarHBondContact O-N 3.42Å; L812-V816 VanDerWaalsContact O-N 3.17Å; L813-V816 PolarHBondContact O-N 2.99Å; Q814-V816 PolarHBondContact O-N 3.42Å; V816-K818 PolarHBondContact O-N 3.09Å; V816-Q819 PolarHBondContact O-N 2.99Å
817	C	90.5	Very high	88.3	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.7	-33.2	-177.3	-62	0	0	0	0	112.4	M558 Y582 V585 L813 Q814 Q819 N820	M558-C817 HydrophobicContact CE-CB 3.8Å; M558-C817 HydrophobicContact CG-CB 4.13Å; M558-C817 HydrophobicContact SD-CB 3.97Å; Y582-C817 HydrophobicContact CD1-CB 4.38Å; V585-C817 HydrophobicContact CG1-CB 4.18Å; L813-C817 WeakPolarHBondContact O-CB 3.5Å; L813-C817 PolarHBondContact O-N 3.39Å; L813-C817 PolarHBondContact O-SG 3.37Å; Q814-C817 PolarHBondContact O-N 3.12Å; C817-Q819 PolarHBondContact O-N 2.02Å; C817-N820 WeakPolarHBondContact O-CB 3.31Å; C817-N820 PolarHBondContact O-N 2.99Å; C817-N820 VanDerWaalsContact O-N 3.15Å
818	K	84.8	Confident	87.7	Confident	13 Å²	13	25 Å²	25	6%	0.057	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-33.8	172.3	-73.4	168.4	-165.3	168.3	0	112.4	P604 Q814 N815 V816 N820 L854 D897	P604-K818 VanDerWaalsContact CG-O 3.31Å; P604-K818 WeakPolarHBondContact CG-O 3.41Å; Q814-K818 VanDerWaalsContact O-CG 3.25Å; Q814-K818 WeakPolarHBondContact O-CG 3.12Å; Q814-K818 PolarHBondContact O-N 3.32Å; N815-K818 PolarHBondContact OD1-NZ 3.42Å; V816-K818 PolarHBondContact O-N 3.09Å; K818-N820 PolarHBondContact O-N 2.95Å; K818-L854 HydrophobicContact CB-CD1 4.42Å; K818-L854 HydrophobicContact CG-CD1 4.08Å; K818-D897 WeakPolarHBondContact CE-OD2 3.42Å; K818-D897 IonicContact NZ-OD1 3.54Å; K818-D897 PolarHBondContact NZ-OD1 3.01Å; K818-D897 IonicContact NZ-OD2 3.61Å; K818-D897 PolarHBondContact NZ-OD2 2.93Å
819	Q	80.6	Confident	87.1	Confident	107 Å²	107	22 Å²	22	50%	0.5	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	7	178	-65.4	180	3.6	0	0	113.9	N815 V816 C817 G821	N815-Q819 PolarHBondContact O-N 3.34Å; V816-Q819 PolarHBondContact O-N 2.99Å; C817-Q819 PolarHBondContact O-N 2.02Å; Q819-G821 PolarHBondContact O-N 3.14Å
820	N	82.8	Confident	86.7	Confident	3 Å²	3	22 Å²	22	2%	0.016	11%	0.111	C	C	.	.			trans	-62.5	127.8	-177.8	-173.9	-70.4	0	0	0	112.2	S589 C817 K818 H822 L823 G824	S589-N820 PolarHBondContact OG-ND2 3.3Å; C817-N820 WeakPolarHBondContact O-CB 3.31Å; C817-N820 PolarHBondContact O-N 2.99Å; C817-N820 VanDerWaalsContact O-N 3.15Å; K818-N820 PolarHBondContact O-N 2.95Å; N820-H822 VanDerWaalsContact C-N 3.28Å; N820-H822 PolarHBondContact O-N 2.81Å; N820-H822 WeakPolarHBondContact OD1-CA 3.41Å; N820-H822 VanDerWaalsContact OD1-CB 3.29Å; N820-H822 WeakPolarHBondContact OD1-CB 3.39Å; N820-H822 PolarHBondContact OD1-N 2.83Å; N820-L823 HydrophobicContact CB-CB 4.13Å; N820-L823 WeakPolarHBondContact O-CB 3.44Å; N820-L823 PolarHBondContact O-N 2.94Å; N820-L823 VanDerWaalsContact O-N 3.08Å; N820-L823 PolarHBondContact OD1-N 3.43Å; N820-G824 PolarHBondContact O-N 2.59Å
821	G	79.8	Confident	86.2	Confident	17 Å²	17	22.8 Å²	22.8	18%	0.175	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-28.3	-176.5	0	0	0	0	0	114.6	Q601 Y602 Q819 F825	Q601-G821 WeakPolarHBondContact CA-O 2.94Å; Y602-G821 PolarHBondContact N-O 3.25Å; Y602-G821 WeakPolarHBondContact O-CA 3.44Å; Y602-G821 VanDerWaalsContact O-O 3.06Å; Q819-G821 PolarHBondContact O-N 3.14Å; G821-F825 WeakPolarHBondContact O-CB 3.15Å; G821-F825 PolarHBondContact O-N 3.25Å
822	H	84.5	Confident	85.8	Confident	22 Å²	22	25.8 Å²	25.8	10%	0.102	13%	0.127	C	C	.	.	H	α-helix	trans	-76.2	-30.3	175.2	-58.1	-75	0	0	0	112.1	F555 D592 E598 K600 Q601 N820 F825 M826	F555-H822 HydrophobicContact CZ-CB 4.24Å; D592-H822 IonicContact OD1-NE2 3.43Å; D592-H822 IonicContact OD2-CD2 2.68Å; D592-H822 PolarHBondContact OD2-CD2 2.79Å; D592-H822 IonicContact OD2-NE2 3.52Å; E598-H822 IonicContact OE2-CE1 2.72Å; K600-H822 PolarHBondContact O-ND1 2.89Å; Q601-H822 PolarHBondContact NE2-NE2 3.44Å; Q601-H822 VanDerWaalsContact NE2-NE2 3.18Å; N820-H822 VanDerWaalsContact C-N 3.28Å; N820-H822 PolarHBondContact O-N 2.81Å; N820-H822 WeakPolarHBondContact OD1-CA 3.41Å; N820-H822 VanDerWaalsContact OD1-CB 3.29Å; N820-H822 WeakPolarHBondContact OD1-CB 3.39Å; N820-H822 PolarHBondContact OD1-N 2.83Å; H822-F825 PolarHBondContact O-N 2.92Å; H822-M826 PolarHBondContact O-N 3.35Å; H822-M826 VanDerWaalsContact O-N 3.1Å
823	L	86.1	Confident	85.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.7	-45.8	170.9	-174.1	60.4	0	0	0	110.3	F555 M558 N820 F825 M826 M827 A849 L854	F555-L823 HydrophobicContact CD1-CD1 4.21Å; F555-L823 HydrophobicContact CE1-CB 3.92Å; F555-L823 HydrophobicContact CE1-CD1 3.86Å; F555-L823 HydrophobicContact CE1-CG 4.49Å; M558-L823 HydrophobicContact CE-CD2 3.97Å; N820-L823 HydrophobicContact CB-CB 4.13Å; N820-L823 WeakPolarHBondContact O-CB 3.44Å; N820-L823 PolarHBondContact O-N 2.94Å; N820-L823 VanDerWaalsContact O-N 3.08Å; N820-L823 PolarHBondContact OD1-N 3.43Å; L823-F825 VanDerWaalsContact C-N 3.25Å; L823-F825 PolarHBondContact O-N 3.48Å; L823-M826 PolarHBondContact O-N 3.41Å; L823-M827 WeakPolarHBondContact O-CG 3.49Å; L823-M827 PolarHBondContact O-N 3.05Å; L823-A849 HydrophobicContact CD1-CB 3.89Å; L823-L854 HydrophobicContact CD1-CD2 4.46Å; L823-L854 HydrophobicContact CD2-CD2 4.04Å; L823-L854 HydrophobicContact CG-CD2 4.2Å
824	G	81.6	Confident	85	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-32.7	174	0	0	0	0	0	113.3	Y602 N820 M827 R828	Y602-G824 WeakPolarHBondContact O-CA 3.46Å; N820-G824 PolarHBondContact O-N 2.59Å; G824-M827 PolarHBondContact O-N 2.98Å; G824-R828 PolarHBondContact O-N 3.01Å
825	F	82	Confident	84.6	Confident	25 Å²	25	30.7 Å²	30.7	11%	0.11	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-49.5	171.1	179.9	-88.8	0	0	0	112.6	K600 Y602 G821 H822 L823 M827 R828 E829	K600-F825 VanDerWaalsContact CA-CD2 3.45Å; K600-F825 HydrophobicContact CB-CD2 4.16Å; K600-F825 HydrophobicContact CB-CE2 4.18Å; K600-F825 HydrophobicContact CB-CG 4.4Å; K600-F825 HydrophobicContact CB-CZ 4.41Å; K600-F825 HydrophobicContact CG-CE2 4.15Å; K600-F825 HydrophobicContact CG-CZ 4.12Å; K600-F825 WeakPolarHBondContact O-CB 3.37Å; Y602-F825 HydrophobicContact CD2-CB 4.15Å; Y602-F825 AromaticContact CD2-CD2 3.51Å; Y602-F825 HydrophobicContact CD2-CD2 3.51Å; Y602-F825 HydrophobicContact CD2-CE2 4.36Å; Y602-F825 HydrophobicContact CD2-CG 4.25Å; Y602-F825 AromaticContact CE2-CD2 3.5Å; Y602-F825 HydrophobicContact CE2-CD2 3.5Å; Y602-F825 AromaticContact CE2-CE2 3.91Å; Y602-F825 HydrophobicContact CE2-CE2 3.91Å; G821-F825 WeakPolarHBondContact O-CB 3.15Å; G821-F825 PolarHBondContact O-N 3.25Å; H822-F825 PolarHBondContact O-N 2.92Å; L823-F825 VanDerWaalsContact C-N 3.25Å; L823-F825 PolarHBondContact O-N 3.48Å; F825-M827 VanDerWaalsContact C-N 3.29Å; F825-M827 PolarHBondContact O-N 3.25Å; F825-R828 PolarHBondContact O-N 3.35Å; F825-E829 HydrophobicContact CD1-CG 4.28Å; F825-E829 HydrophobicContact CE1-CG 3.88Å; F825-E829 WeakPolarHBondContact CE1-OE1 3.42Å; F825-E829 VanDerWaalsContact CE1-OE2 3.25Å; F825-E829 WeakPolarHBondContact CE1-OE2 3.23Å; F825-E829 HydrophobicContact CZ-CG 4.06Å; F825-E829 VanDerWaalsContact CZ-OE1 3.26Å; F825-E829 WeakPolarHBondContact CZ-OE1 3.19Å; F825-E829 PolarHBondContact O-N 3.4Å
826	M	85.4	Confident	84.4	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.02	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-40.9	175.3	178.3	-179.3	-78.5	0	0	112	F555 H822 L823 E829 A830 K845 L848 A849	F555-M826 HydrophobicContact CD2-CE 3.74Å; F555-M826 HydrophobicContact CE2-CE 3.36Å; F555-M826 HydrophobicContact CE2-SD 4.33Å; F555-M826 HydrophobicContact CZ-CE 4Å; F555-M826 HydrophobicContact CZ-SD 4.47Å; H822-M826 PolarHBondContact O-N 3.35Å; H822-M826 VanDerWaalsContact O-N 3.1Å; L823-M826 PolarHBondContact O-N 3.41Å; M826-E829 PolarHBondContact O-N 3.4Å; M826-A830 WeakPolarHBondContact O-CB 3.3Å; M826-A830 PolarHBondContact O-N 2.91Å; M826-K845 HydrophobicContact CG-CB 4.25Å; M826-L848 HydrophobicContact CE-CB 4.09Å; M826-L848 HydrophobicContact CE-CD1 4.28Å; M826-L848 HydrophobicContact SD-CB 3.84Å; M826-A849 HydrophobicContact SD-CB 4.09Å
827	M	85.8	Confident	84	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.049	19%	0.191	C	C	.	.	H	α-helix	trans	-66.1	-38.5	177.7	-68.5	-63.2	-80.3	0	0	112.6	L823 G824 F825 A830 L831 Y846 A849 L854 L856 A857	L823-M827 WeakPolarHBondContact O-CG 3.49Å; L823-M827 PolarHBondContact O-N 3.05Å; G824-M827 PolarHBondContact O-N 2.98Å; F825-M827 VanDerWaalsContact C-N 3.29Å; F825-M827 PolarHBondContact O-N 3.25Å; M827-A830 PolarHBondContact O-N 3.34Å; M827-L831 WeakPolarHBondContact O-CB 3.41Å; M827-L831 PolarHBondContact O-N 2.86Å; M827-Y846 HydrophobicContact CE-CD1 3.84Å; M827-Y846 HydrophobicContact CE-CE1 3.57Å; M827-Y846 HydrophobicContact SD-CD1 3.76Å; M827-Y846 HydrophobicContact SD-CE1 3.84Å; M827-A849 HydrophobicContact CG-CB 4.44Å; M827-A849 HydrophobicContact SD-CB 3.51Å; M827-A849 VanDerWaalsContact SD-CB 3.51Å; M827-L854 HydrophobicContact CE-CD2 3.85Å; M827-L854 HydrophobicContact CG-CD2 4.04Å; M827-L854 HydrophobicContact SD-CD2 3.99Å; M827-L856 HydrophobicContact CE-CB 4.42Å; M827-L856 HydrophobicContact CE-CD2 3.54Å; M827-L856 HydrophobicContact CE-CG 3.8Å; M827-A857 HydrophobicContact CE-CB 3.73Å; M827-A857 HydrophobicContact SD-CB 3.79Å
828	R	81.4	Confident	83.7	Confident	46 Å²	46	38 Å²	38	17%	0.174	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-44.2	174	-175.9	-179.7	179.7	155	5.6	111.7	Y602 G651 G654 V655 G824 F825 A830 L831 Q832	Y602-R828 HydrophobicContact CD2-CB 4.37Å; G651-R828 PolarHBondContact O-NH1 3.14Å; G654-R828 PolarHBondContact O-NH2 3.03Å; V655-R828 PolarHBondContact O-NH1 3.41Å; V655-R828 PolarHBondContact O-NH2 2.86Å; G824-R828 PolarHBondContact O-N 3.01Å; F825-R828 PolarHBondContact O-N 3.35Å; R828-A830 VanDerWaalsContact C-N 3.32Å; R828-A830 PolarHBondContact O-N 2.91Å; R828-L831 PolarHBondContact O-N 3.46Å; R828-Q832 WeakPolarHBondContact O-CB 3.46Å; R828-Q832 PolarHBondContact O-N 2.81Å
829	E	81.9	Confident	83.6	Confident	54 Å²	54	39.3 Å²	39.3	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-39.3	175.8	-71.9	-173.7	135.7	0	0	111.9	F825 M826 Q832 A833 K845	F825-E829 HydrophobicContact CD1-CG 4.28Å; F825-E829 HydrophobicContact CE1-CG 3.88Å; F825-E829 WeakPolarHBondContact CE1-OE1 3.42Å; F825-E829 VanDerWaalsContact CE1-OE2 3.25Å; F825-E829 WeakPolarHBondContact CE1-OE2 3.23Å; F825-E829 HydrophobicContact CZ-CG 4.06Å; F825-E829 VanDerWaalsContact CZ-OE1 3.26Å; F825-E829 WeakPolarHBondContact CZ-OE1 3.19Å; F825-E829 PolarHBondContact O-N 3.4Å; M826-E829 PolarHBondContact O-N 3.4Å; E829-Q832 PolarHBondContact O-N 2.95Å; E829-A833 WeakPolarHBondContact O-CB 3.22Å; E829-A833 PolarHBondContact O-N 3.42Å; E829-K845 HydrophobicContact CB-CD 3.88Å; E829-K845 IonicContact OE2-NZ 2.79Å
830	A	87.1	Confident	83.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.4	0	0	0	0	0	112.2	M826 M827 R828 A833 H834 A842 K845 Y846	M826-A830 WeakPolarHBondContact O-CB 3.3Å; M826-A830 PolarHBondContact O-N 2.91Å; M827-A830 PolarHBondContact O-N 3.34Å; R828-A830 VanDerWaalsContact C-N 3.32Å; R828-A830 PolarHBondContact O-N 2.91Å; A830-A833 PolarHBondContact O-N 3.29Å; A830-H834 PolarHBondContact O-N 3.43Å; A830-A842 VanDerWaalsContact O-CB 3.27Å; A830-A842 WeakPolarHBondContact O-CB 3.23Å; A830-K845 HydrophobicContact CB-CB 3.59Å; A830-Y846 HydrophobicContact CB-CD1 3.99Å; A830-Y846 HydrophobicContact CB-CD2 3.65Å; A830-Y846 HydrophobicContact CB-CE1 3.9Å; A830-Y846 HydrophobicContact CB-CE2 3.55Å; A830-Y846 HydrophobicContact CB-CG 3.87Å
831	L	85.9	Confident	83.6	Confident	18 Å²	18	40.2 Å²	40.2	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-44.5	175.6	179.6	61.1	0	0	0	111.5	I607 L609 L615 L618 M827 R828 A833 H834 L835 Y846	I607-L831 HydrophobicContact CB-CD2 4.47Å; I607-L831 HydrophobicContact CD1-CD2 3.63Å; I607-L831 HydrophobicContact CG2-CD1 4.32Å; I607-L831 HydrophobicContact CG2-CD2 4.32Å; L609-L831 HydrophobicContact CD2-CD1 3.62Å; L615-L831 HydrophobicContact CD2-CD1 4.38Å; L618-L831 HydrophobicContact CD1-CD2 4.32Å; L618-L831 HydrophobicContact CD2-CD2 4.19Å; M827-L831 WeakPolarHBondContact O-CB 3.41Å; M827-L831 PolarHBondContact O-N 2.86Å; R828-L831 PolarHBondContact O-N 3.46Å; L831-A833 PolarHBondContact O-N 3.39Å; L831-H834 WeakPolarHBondContact O-CB 3.48Å; L831-H834 PolarHBondContact O-N 2.89Å; L831-L835 HydrophobicContact CD1-CD1 4.34Å; L831-L835 HydrophobicContact CD1-CG 4.33Å; L831-L835 HydrophobicContact CG-CD1 4.12Å; L831-L835 WeakPolarHBondContact O-CG 3.42Å; L831-L835 PolarHBondContact O-N 3.27Å; L831-Y846 WeakPolarHBondContact CA-OH 3.35Å; L831-Y846 PolarHBondContact N-OH 3.14Å
832	Q	82.8	Confident	84	Confident	98 Å²	98	39.4 Å²	39.4	46%	0.458	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-42.5	178.5	-177.7	172.2	-5.8	0	0	111.8	R828 E829 H834 L835 Q836	R828-Q832 WeakPolarHBondContact O-CB 3.46Å; R828-Q832 PolarHBondContact O-N 2.81Å; E829-Q832 PolarHBondContact O-N 2.95Å; Q832-H834 VanDerWaalsContact C-N 3.32Å; Q832-H834 PolarHBondContact O-N 3.25Å; Q832-L835 PolarHBondContact O-N 3.35Å; Q832-Q836 WeakPolarHBondContact O-CB 3.26Å; Q832-Q836 VanDerWaalsContact O-CG 3.25Å; Q832-Q836 WeakPolarHBondContact O-CG 3.42Å; Q832-Q836 PolarHBondContact O-N 3.05Å
833	A	84.8	Confident	84.1	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-41.6	174.3	0	0	0	0	0	111.6	E829 A830 L831 Q836 G837 A838 E841 A842	E829-A833 WeakPolarHBondContact O-CB 3.22Å; E829-A833 PolarHBondContact O-N 3.42Å; A830-A833 PolarHBondContact O-N 3.29Å; L831-A833 PolarHBondContact O-N 3.39Å; A833-Q836 PolarHBondContact O-N 3.11Å; A833-G837 PolarHBondContact O-N 3.46Å; A833-A838 HydrophobicContact CB-CB 4.29Å; A833-A838 CarbonylContact O-C 3.6Å; A833-A838 WeakPolarHBondContact O-CA 3.42Å; A833-A838 WeakPolarHBondContact O-CB 3.37Å; A833-A838 PolarHBondContact O-N 3.19Å; A833-E841 HydrophobicContact CB-CB 4.17Å; A833-E841 HydrophobicContact CB-CG 4.09Å; A833-A842 HydrophobicContact CB-CB 4.04Å
834	H	86	Confident	84.2	Confident	43 Å²	43	38.5 Å²	38.5	20%	0.199	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-48.2	175.4	176.9	72.8	0	0	0	112.4	A830 L831 Q832 Q836 G837 A842	A830-H834 PolarHBondContact O-N 3.43Å; L831-H834 WeakPolarHBondContact O-CB 3.48Å; L831-H834 PolarHBondContact O-N 2.89Å; Q832-H834 VanDerWaalsContact C-N 3.32Å; Q832-H834 PolarHBondContact O-N 3.25Å; H834-Q836 PolarHBondContact O-N 3.09Å; H834-G837 PolarHBondContact O-N 2.85Å; H834-A842 HydrophobicContact CB-CB 3.89Å
835	L	83.6	Confident	84.6	Confident	107 Å²	107	39 Å²	39	56%	0.56	20%	0.203	S	C	*	.	H	α-helix	trans	-62.8	-26.8	177.1	-66.8	171.8	0	0	0	113	L618 L831 Q832 G837	L618-L835 HydrophobicContact CD1-CD1 4.05Å; L831-L835 HydrophobicContact CD1-CD1 4.34Å; L831-L835 HydrophobicContact CD1-CG 4.33Å; L831-L835 HydrophobicContact CG-CD1 4.12Å; L831-L835 WeakPolarHBondContact O-CG 3.42Å; L831-L835 PolarHBondContact O-N 3.27Å; Q832-L835 PolarHBondContact O-N 3.35Å; L835-G837 VanDerWaalsContact C-N 3.3Å
836	Q	84.9	Confident	85.1	Confident	137 Å²	137	38 Å²	38	64%	0.64	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-1.3	173.6	-70.5	174.5	-11.3	0	0	113.6	Q832 A833 H834 A838	Q832-Q836 WeakPolarHBondContact O-CB 3.26Å; Q832-Q836 VanDerWaalsContact O-CG 3.25Å; Q832-Q836 WeakPolarHBondContact O-CG 3.42Å; Q832-Q836 PolarHBondContact O-N 3.05Å; A833-Q836 PolarHBondContact O-N 3.11Å; H834-Q836 PolarHBondContact O-N 3.09Å; Q836-A838 VanDerWaalsContact C-N 3.28Å; Q836-A838 PolarHBondContact O-N 2.9Å
837	G	82.1	Confident	85.4	Confident	56 Å²	56	38 Å²	38	58%	0.577	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	0	-176.2	0	0	0	0	0	115	A833 H834 L835 W839	A833-G837 PolarHBondContact O-N 3.46Å; H834-G837 PolarHBondContact O-N 2.85Å; L835-G837 VanDerWaalsContact C-N 3.3Å; G837-W839 PolarHBondContact O-N 3.27Å
838	A	83.8	Confident	85.6	Confident	35 Å²	35	37.6 Å²	37.6	29%	0.289	20%	0.196	S	C	.	.			trans	-80.2	63.5	176.7	0	0	0	0	0	111.1	A833 Q836 E840 E841 A842	A833-A838 HydrophobicContact CB-CB 4.29Å; A833-A838 CarbonylContact O-C 3.6Å; A833-A838 WeakPolarHBondContact O-CA 3.42Å; A833-A838 WeakPolarHBondContact O-CB 3.37Å; A833-A838 PolarHBondContact O-N 3.19Å; Q836-A838 VanDerWaalsContact C-N 3.28Å; Q836-A838 PolarHBondContact O-N 2.9Å; A838-E840 VanDerWaalsContact C-N 3.26Å; A838-E840 PolarHBondContact O-N 3.37Å; A838-E841 HydrophobicContact CB-CB 4.49Å; A838-E841 PolarHBondContact O-N 2.98Å; A838-A842 PolarHBondContact O-N 3.3Å; A838-A842 VanDerWaalsContact O-N 3.11Å
839	W	82.6	Confident	86.2	Confident	40 Å²	40	35.4 Å²	35.4	15%	0.152	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-28.1	-173.1	75.1	-83.2	0	0	0	113.5	V494 G837 L843 H868	V494-W839 HydrophobicContact CG2-CH2 3.34Å; V494-W839 HydrophobicContact CG2-CZ2 3.37Å; G837-W839 PolarHBondContact O-N 3.27Å; W839-L843 HydrophobicContact CE3-CD2 4.45Å; W839-L843 HydrophobicContact CZ3-CD2 3.85Å; W839-L843 VanDerWaalsContact O-CB 3.24Å; W839-L843 WeakPolarHBondContact O-CB 3.45Å; W839-L843 PolarHBondContact O-N 3.07Å; W839-H868 HydrophobicContact CD2-CB 4.13Å; W839-H868 AromaticContact CD2-CG 3.86Å; W839-H868 HydrophobicContact CE3-CB 3.75Å; W839-H868 AromaticContact CE3-CD2 4Å; W839-H868 AromaticContact CE3-CG 3.78Å; W839-H868 AromaticContact CG-CE1 3.97Å; W839-H868 AromaticContact CG-ND1 3.96Å; W839-H868 HydrophobicContact CH2-CB 4.48Å; W839-H868 HydrophobicContact CZ3-CB 3.94Å
840	E	80.2	Confident	86.6	Confident	65 Å²	65	32.8 Å²	32.8	30%	0.304	18%	0.176	S	C	.	.	H	α-helix	trans	-65.2	-48.9	177.5	-69	152.1	-179.2	0	0	111.5	A838 L843 V844	A838-E840 VanDerWaalsContact C-N 3.26Å; A838-E840 PolarHBondContact O-N 3.37Å; E840-L843 PolarHBondContact O-N 2.87Å; E840-V844 WeakPolarHBondContact O-CG2 3.14Å; E840-V844 PolarHBondContact O-N 3.17Å
841	E	83.2	Confident	86.9	Confident	64 Å²	64	32.8 Å²	32.8	30%	0.299	18%	0.176	S	C	.	.	H	α-helix	trans	-65.3	-42.3	176.4	-179.2	-179	156.7	0	0	111.1	V488 A833 A838 L843 V844 K845	V488-E841 HydrophobicContact CG1-CG 4.09Å; A833-E841 HydrophobicContact CB-CB 4.17Å; A833-E841 HydrophobicContact CB-CG 4.09Å; A838-E841 HydrophobicContact CB-CB 4.49Å; A838-E841 PolarHBondContact O-N 2.98Å; E841-L843 VanDerWaalsContact C-N 3.34Å; E841-L843 PolarHBondContact O-N 3.16Å; E841-V844 PolarHBondContact O-N 3.43Å; E841-K845 HydrophobicContact CG-CD 4.15Å; E841-K845 WeakPolarHBondContact O-CG 3.42Å; E841-K845 PolarHBondContact O-N 3.22Å; E841-K845 VanDerWaalsContact O-N 3.08Å; E841-K845 WeakPolarHBondContact OE1-CE 3.11Å; E841-K845 IonicContact OE1-NZ 2.81Å; E841-K845 PolarHBondContact OE1-NZ 3.2Å
842	A	88.2	Confident	87.2	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.2	-46.1	173.4	0	0	0	0	0	111.4	A830 A833 H834 A838 K845 Y846 L864	A830-A842 VanDerWaalsContact O-CB 3.27Å; A830-A842 WeakPolarHBondContact O-CB 3.23Å; A833-A842 HydrophobicContact CB-CB 4.04Å; H834-A842 HydrophobicContact CB-CB 3.89Å; A838-A842 PolarHBondContact O-N 3.3Å; A838-A842 VanDerWaalsContact O-N 3.11Å; A842-K845 PolarHBondContact O-N 2.77Å; A842-Y846 HydrophobicContact CB-CD2 4.4Å; A842-Y846 HydrophobicContact CB-CE2 4.48Å; A842-Y846 WeakPolarHBondContact O-CB 3.24Å; A842-Y846 WeakPolarHBondContact O-CD2 3.14Å; A842-Y846 PolarHBondContact O-N 2.78Å; A842-L864 HydrophobicContact CB-CD1 4.35Å
843	L	87.4	Confident	87.5	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-46.6	179.9	179.4	62.2	0	0	0	111.6	F492 I499 W839 E840 E841 K845 Y846 I847 T861 L864	F492-L843 HydrophobicContact CD2-CD2 4.28Å; F492-L843 HydrophobicContact CE2-CD2 4.26Å; F492-L843 HydrophobicContact CE2-CG 4.35Å; I499-L843 HydrophobicContact CD1-CD2 4.19Å; W839-L843 HydrophobicContact CE3-CD2 4.45Å; W839-L843 HydrophobicContact CZ3-CD2 3.85Å; W839-L843 VanDerWaalsContact O-CB 3.24Å; W839-L843 WeakPolarHBondContact O-CB 3.45Å; W839-L843 PolarHBondContact O-N 3.07Å; E840-L843 PolarHBondContact O-N 2.87Å; E841-L843 VanDerWaalsContact C-N 3.34Å; E841-L843 PolarHBondContact O-N 3.16Å; L843-K845 PolarHBondContact O-N 2.61Å; L843-Y846 PolarHBondContact O-N 2.79Å; L843-I847 HydrophobicContact CD1-CD1 3.79Å; L843-I847 HydrophobicContact CD1-CG1 4.03Å; L843-I847 HydrophobicContact CD2-CD1 4.42Å; L843-I847 HydrophobicContact CG-CD1 3.72Å; L843-I847 HydrophobicContact CG-CG1 4.36Å; L843-I847 VanDerWaalsContact O-CB 3.27Å; L843-I847 WeakPolarHBondContact O-CB 3.44Å; L843-I847 WeakPolarHBondContact O-CG1 3.28Å; L843-I847 PolarHBondContact O-N 3.16Å; L843-T861 HydrophobicContact CD1-CG2 4.01Å; L843-L864 HydrophobicContact CB-CD1 4.4Å; L843-L864 HydrophobicContact CD1-CB 4.09Å; L843-L864 HydrophobicContact CD1-CD1 4.46Å
844	V	88	Confident	87.7	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-46.4	176.4	176.3	0	0	0	0	111.2	V488 V491 F492 L523 E840 E841 I847 L848	V488-V844 HydrophobicContact CG1-CB 4.05Å; V488-V844 HydrophobicContact CG1-CG1 3.97Å; V488-V844 HydrophobicContact CG1-CG2 4.42Å; V488-V844 HydrophobicContact CG2-CG1 4.13Å; V491-V844 HydrophobicContact CG1-CG2 4.45Å; F492-V844 HydrophobicContact CD2-CG2 3.59Å; F492-V844 HydrophobicContact CE2-CG2 3.46Å; F492-V844 VanDerWaalsContact CE2-CG2 3.46Å; L523-V844 HydrophobicContact CD1-CG1 4.09Å; L523-V844 HydrophobicContact CD2-CG1 3.93Å; E840-V844 WeakPolarHBondContact O-CG2 3.14Å; E840-V844 PolarHBondContact O-N 3.17Å; E841-V844 PolarHBondContact O-N 3.43Å; V844-I847 PolarHBondContact O-N 3.45Å; V844-L848 HydrophobicContact CG1-CD1 4.13Å; V844-L848 WeakPolarHBondContact O-CG 3.44Å; V844-L848 PolarHBondContact O-N 2.79Å
845	K	89.4	Confident	87.7	Confident	14 Å²	14	25.9 Å²	25.9	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-67.3	-41.9	-178.5	-69.8	176.1	175.3	176.9	0	111.9	M826 E829 A830 E841 A842 L843 L848 A849	M826-K845 HydrophobicContact CG-CB 4.25Å; E829-K845 HydrophobicContact CB-CD 3.88Å; E829-K845 IonicContact OE2-NZ 2.79Å; A830-K845 HydrophobicContact CB-CB 3.59Å; E841-K845 HydrophobicContact CG-CD 4.15Å; E841-K845 WeakPolarHBondContact O-CG 3.42Å; E841-K845 PolarHBondContact O-N 3.22Å; E841-K845 VanDerWaalsContact O-N 3.08Å; E841-K845 WeakPolarHBondContact OE1-CE 3.11Å; E841-K845 IonicContact OE1-NZ 2.81Å; E841-K845 PolarHBondContact OE1-NZ 3.2Å; A842-K845 PolarHBondContact O-N 2.77Å; L843-K845 PolarHBondContact O-N 2.61Å; K845-L848 PolarHBondContact O-N 2.64Å; K845-A849 PolarHBondContact O-N 3.16Å; K845-A849 VanDerWaalsContact O-N 3.14Å
846	Y	91.8	Very high	87.7	Confident	4 Å²	4	21 Å²	21	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-39.8	173.4	-78.5	-60.6	0	0	0	112.4	L609 M827 A830 L831 A842 L843 L848 A849 A850 A857 N860 T861 L864	L609-Y846 HydrophobicContact CD1-CD2 4.41Å; L609-Y846 HydrophobicContact CD1-CE2 3.73Å; L609-Y846 HydrophobicContact CG-CE2 4.46Å; M827-Y846 HydrophobicContact CE-CD1 3.84Å; M827-Y846 HydrophobicContact CE-CE1 3.57Å; M827-Y846 HydrophobicContact SD-CD1 3.76Å; M827-Y846 HydrophobicContact SD-CE1 3.84Å; A830-Y846 HydrophobicContact CB-CD1 3.99Å; A830-Y846 HydrophobicContact CB-CD2 3.65Å; A830-Y846 HydrophobicContact CB-CE1 3.9Å; A830-Y846 HydrophobicContact CB-CE2 3.55Å; A830-Y846 HydrophobicContact CB-CG 3.87Å; L831-Y846 WeakPolarHBondContact CA-OH 3.35Å; L831-Y846 PolarHBondContact N-OH 3.14Å; A842-Y846 HydrophobicContact CB-CD2 4.4Å; A842-Y846 HydrophobicContact CB-CE2 4.48Å; A842-Y846 WeakPolarHBondContact O-CB 3.24Å; A842-Y846 WeakPolarHBondContact O-CD2 3.14Å; A842-Y846 PolarHBondContact O-N 2.78Å; L843-Y846 PolarHBondContact O-N 2.79Å; Y846-L848 PolarHBondContact O-N 2.95Å; Y846-A849 PolarHBondContact O-N 2.89Å; Y846-A850 WeakPolarHBondContact O-CB 3.4Å; Y846-A850 PolarHBondContact O-N 2.95Å; Y846-A857 HydrophobicContact CD1-CB 4.41Å; Y846-N860 HydrophobicContact CD1-CB 3.85Å; Y846-N860 HydrophobicContact CD2-CB 4.39Å; Y846-N860 HydrophobicContact CE1-CB 3.85Å; Y846-N860 WeakPolarHBondContact CE1-ND2 3.36Å; Y846-N860 HydrophobicContact CE2-CB 4.4Å; Y846-N860 HydrophobicContact CG-CB 4.14Å; Y846-T861 VanDerWaalsContact C-OG1 3.25Å; Y846-T861 WeakPolarHBondContact CB-OG1 3.42Å; Y846-T861 PolarHBondContact O-OG1 2.86Å; Y846-L864 HydrophobicContact CD2-CD1 3.6Å; Y846-L864 HydrophobicContact CE2-CD1 4.21Å; Y846-L864 HydrophobicContact CG-CD1 4.5Å
847	I	91.7	Very high	88	Confident	2 Å²	2	14.5 Å²	14.5	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-57	-48.6	174.3	-79.8	169.9	0	0	0	110.9	F492 T526 L532 L843 V844 A849 A850 E851 T861 Y888	F492-I847 HydrophobicContact CE2-CD1 4.07Å; F492-I847 HydrophobicContact CZ-CD1 4.09Å; T526-I847 HydrophobicContact CG2-CG2 3.56Å; L532-I847 HydrophobicContact CD1-CD1 3.94Å; L843-I847 HydrophobicContact CD1-CD1 3.79Å; L843-I847 HydrophobicContact CD1-CG1 4.03Å; L843-I847 HydrophobicContact CD2-CD1 4.42Å; L843-I847 HydrophobicContact CG-CD1 3.72Å; L843-I847 HydrophobicContact CG-CG1 4.36Å; L843-I847 VanDerWaalsContact O-CB 3.27Å; L843-I847 WeakPolarHBondContact O-CB 3.44Å; L843-I847 WeakPolarHBondContact O-CG1 3.28Å; L843-I847 PolarHBondContact O-N 3.16Å; V844-I847 PolarHBondContact O-N 3.45Å; I847-A849 VanDerWaalsContact C-N 3.33Å; I847-A849 PolarHBondContact O-N 2.98Å; I847-A850 WeakPolarHBondContact O-CB 3.38Å; I847-A850 PolarHBondContact O-N 3.48Å; I847-E851 WeakPolarHBondContact O-CG 3.37Å; I847-E851 PolarHBondContact O-N 2.84Å; I847-T861 HydrophobicContact CD1-CG2 4.46Å; I847-T861 HydrophobicContact CG1-CG2 3.54Å; I847-T861 PolarHBondContact N-OG1 3.31Å; I847-Y888 HydrophobicContact CG1-CE2 4.32Å
848	L	91.6	Very high	88.4	Confident	2 Å²	2	11.8 Å²	11.8	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-60.1	-43.5	179.1	-73.4	171	0	0	0	111.6	F484 L522 L523 M826 V844 K845 Y846 T852	F484-L848 HydrophobicContact CZ-CD1 3.96Å; L522-L848 HydrophobicContact CB-CD2 4.15Å; L522-L848 HydrophobicContact CD2-CD2 3.92Å; L522-L848 HydrophobicContact CG-CD2 3.76Å; L523-L848 HydrophobicContact CB-CD2 3.99Å; L523-L848 HydrophobicContact CD1-CD2 4.28Å; L523-L848 HydrophobicContact CD1-CG 4.49Å; M826-L848 HydrophobicContact CE-CB 4.09Å; M826-L848 HydrophobicContact CE-CD1 4.28Å; M826-L848 HydrophobicContact SD-CB 3.84Å; V844-L848 HydrophobicContact CG1-CD1 4.13Å; V844-L848 WeakPolarHBondContact O-CG 3.44Å; V844-L848 PolarHBondContact O-N 2.79Å; K845-L848 PolarHBondContact O-N 2.64Å; Y846-L848 PolarHBondContact O-N 2.95Å; L848-T852 WeakPolarHBondContact O-CG2 3.49Å
849	A	92.4	Very high	88.5	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.5	-38.3	174.7	0	0	0	0	0	112.8	L823 M826 M827 K845 Y846 I847 E851 T852 A857	L823-A849 HydrophobicContact CD1-CB 3.89Å; M826-A849 HydrophobicContact SD-CB 4.09Å; M827-A849 HydrophobicContact CG-CB 4.44Å; M827-A849 HydrophobicContact SD-CB 3.51Å; M827-A849 VanDerWaalsContact SD-CB 3.51Å; K845-A849 PolarHBondContact O-N 3.16Å; K845-A849 VanDerWaalsContact O-N 3.14Å; Y846-A849 PolarHBondContact O-N 2.89Å; I847-A849 VanDerWaalsContact C-N 3.33Å; I847-A849 PolarHBondContact O-N 2.98Å; A849-E851 PolarHBondContact O-N 3.39Å; A849-T852 WeakPolarHBondContact O-CB 3.29Å; A849-T852 PolarHBondContact O-N 3.18Å; A849-T852 PolarHBondContact O-OG1 2.84Å; A849-A857 HydrophobicContact CB-CB 3.59Å
850	A	92.1	Very high	88.8	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.1	-41	-179.5	0	0	0	0	0	111.9	Y846 I847 T852 G853 A857 Q858 Y888	Y846-A850 WeakPolarHBondContact O-CB 3.4Å; Y846-A850 PolarHBondContact O-N 2.95Å; I847-A850 WeakPolarHBondContact O-CB 3.38Å; I847-A850 PolarHBondContact O-N 3.48Å; A850-T852 PolarHBondContact O-N 3.44Å; A850-G853 PolarHBondContact O-N 3.21Å; A850-G853 VanDerWaalsContact O-N 3.12Å; A850-A857 HydrophobicContact CB-CB 4.05Å; A850-Q858 HydrophobicContact CB-CB 4.28Å; A850-Q858 HydrophobicContact CB-CG 3.63Å; A850-Q858 WeakPolarHBondContact O-CG 3.47Å; A850-Q858 PolarHBondContact O-NE2 3.46Å; A850-Y888 HydrophobicContact CB-CD1 3.86Å; A850-Y888 HydrophobicContact CB-CE1 3.82Å
851	E	92.8	Very high	89.3	Confident	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.4	177.7	-74.7	-73.3	165.9	0	0	113.7	T526 H559 K563 I847 A849 G853 R887 Y888	T526-E851 HydrophobicContact CG2-CG 3.61Å; H559-E851 VanDerWaalsContact CA-O 3.3Å; H559-E851 WeakPolarHBondContact CA-O 3.41Å; H559-E851 WeakPolarHBondContact CB-O 3.14Å; H559-E851 IonicContact CE1-OE2 3.97Å; H559-E851 PolarHBondContact CE1-OE2 3.4Å; H559-E851 PolarHBondContact ND1-O 3.35Å; H559-E851 IonicContact ND1-OE2 3.05Å; H559-E851 PolarHBondContact ND1-OE2 2.78Å; K563-E851 WeakPolarHBondContact CE-OE2 3.46Å; K563-E851 IonicContact NZ-OE1 2.6Å; K563-E851 IonicContact NZ-OE2 2.81Å; K563-E851 PolarHBondContact NZ-OE2 2.91Å; I847-E851 WeakPolarHBondContact O-CG 3.37Å; I847-E851 PolarHBondContact O-N 2.84Å; A849-E851 PolarHBondContact O-N 3.39Å; E851-G853 VanDerWaalsContact C-N 3.27Å; E851-G853 PolarHBondContact O-N 3.42Å; E851-R887 IonicContact OE1-CZ 3.76Å; E851-R887 IonicContact OE1-NE 3.9Å; E851-R887 PolarHBondContact OE1-NE 3.23Å; E851-R887 VanDerWaalsContact OE1-NE 3.09Å; E851-R887 IonicContact OE1-NH2 3.94Å; E851-R887 PolarHBondContact OE1-NH2 3.48Å; E851-R887 IonicContact OE2-NH2 3.5Å; E851-Y888 HydrophobicContact CG-CE1 4.19Å; E851-Y888 PolarHBondContact OE1-OH 2.93Å
852	T	92.3	Very high	89.5	Confident	1 Å²	1	2.4 Å²	2.4	1%	0.006	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.3	170.3	74.7	0	0	0	0	114.3	F555 M558 L848 A849 A850	F555-T852 HydrophobicContact CB-CG2 3.81Å; F555-T852 HydrophobicContact CD1-CG2 4.04Å; F555-T852 HydrophobicContact CG-CG2 4.29Å; M558-T852 HydrophobicContact CB-CG2 4.23Å; L848-T852 WeakPolarHBondContact O-CG2 3.49Å; A849-T852 WeakPolarHBondContact O-CB 3.29Å; A849-T852 PolarHBondContact O-N 3.18Å; A849-T852 PolarHBondContact O-OG1 2.84Å; A850-T852 PolarHBondContact O-N 3.44Å
853	G	89.5	Confident	89.4	Confident	5 Å²	5	4.6 Å²	4.6	5%	0.052	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	22.3	-172.5	0	0	0	0	0	114.8	A850 E851 N895	A850-G853 PolarHBondContact O-N 3.21Å; A850-G853 VanDerWaalsContact O-N 3.12Å; E851-G853 VanDerWaalsContact C-N 3.27Å; E851-G853 PolarHBondContact O-N 3.42Å; G853-N895 PolarHBondContact O-OD1 3.46Å; G853-N895 VanDerWaalsContact O-OD1 3.1Å
854	L	88	Confident	89.3	Confident	1 Å²	1	4.6 Å²	4.6	1%	0.005	3%	0.025	C	C	.	.			trans	-88.9	107.1	174.9	-177.6	63.5	0	0	0	110.6	K818 L823 M827 L856 A857 Q858	K818-L854 HydrophobicContact CB-CD1 4.42Å; K818-L854 HydrophobicContact CG-CD1 4.08Å; L823-L854 HydrophobicContact CD1-CD2 4.46Å; L823-L854 HydrophobicContact CD2-CD2 4.04Å; L823-L854 HydrophobicContact CG-CD2 4.2Å; M827-L854 HydrophobicContact CE-CD2 3.85Å; M827-L854 HydrophobicContact CG-CD2 4.04Å; M827-L854 HydrophobicContact SD-CD2 3.99Å; L854-L856 VanDerWaalsContact C-N 3.28Å; L854-L856 HydrophobicContact CD1-CB 4.48Å; L854-L856 HydrophobicContact CG-CB 4.21Å; L854-L856 PolarHBondContact O-N 3.37Å; L854-A857 HydrophobicContact CB-CB 4.14Å; L854-A857 HydrophobicContact CD2-CB 4.06Å; L854-A857 HydrophobicContact CG-CB 4.18Å; L854-A857 PolarHBondContact O-N 3.46Å; L854-Q858 WeakPolarHBondContact O-CG 3.42Å; L854-Q858 PolarHBondContact O-N 2.02Å
855	G	85.2	Confident	89.1	Confident	8 Å²	8	4.6 Å²	4.6	8%	0.082	3%	0.025	C	C	.	.	H	α-helix	trans	-59.2	-32.1	-176.3	0	0	0	0	0	115.2	S859 N895	G855-S859 WeakPolarHBondContact O-CB 2.98Å; G855-S859 PolarHBondContact O-N 3.05Å; G855-S859 PolarHBondContact O-OG 3.48Å; G855-N895 VanDerWaalsContact CA-ND2 3.34Å; G855-N895 WeakPolarHBondContact CA-ND2 3.5Å
856	L	85	Confident	88.6	Confident	5 Å²	5	7.7 Å²	7.7	3%	0.026	4%	0.04	C	C	.	.	H	α-helix	trans	-59.7	-52.8	171	175.9	71	0	0	0	111.7	H605 F606 Y608 M827 L854 Q858 S859 N860	H605-L856 WeakPolarHBondContact O-CD2 3.35Å; F606-L856 HydrophobicContact CB-CD2 4.32Å; F606-L856 HydrophobicContact CD1-CB 4.31Å; F606-L856 HydrophobicContact CD1-CD2 3.83Å; F606-L856 HydrophobicContact CG-CD2 4.34Å; Y608-L856 HydrophobicContact CD1-CD1 3.65Å; Y608-L856 HydrophobicContact CD2-CD1 3.96Å; Y608-L856 HydrophobicContact CE1-CB 4.49Å; Y608-L856 HydrophobicContact CE1-CD1 3.54Å; Y608-L856 HydrophobicContact CE2-CD1 3.86Å; Y608-L856 HydrophobicContact CG-CD1 3.85Å; M827-L856 HydrophobicContact CE-CB 4.42Å; M827-L856 HydrophobicContact CE-CD2 3.54Å; M827-L856 HydrophobicContact CE-CG 3.8Å; L854-L856 VanDerWaalsContact C-N 3.28Å; L854-L856 HydrophobicContact CD1-CB 4.48Å; L854-L856 HydrophobicContact CG-CB 4.21Å; L854-L856 PolarHBondContact O-N 3.37Å; L856-Q858 VanDerWaalsContact C-N 3.33Å; L856-Q858 PolarHBondContact O-N 3.23Å; L856-S859 WeakPolarHBondContact O-CB 3.42Å; L856-S859 PolarHBondContact O-N 3.31Å; L856-S859 VanDerWaalsContact O-N 3.15Å; L856-N860 PolarHBondContact O-N 3.39Å
857	A	89.8	Confident	88	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63	-41.6	179.7	0	0	0	0	0	111.2	M827 Y846 A849 A850 L854 S859 N860 T861	M827-A857 HydrophobicContact CE-CB 3.73Å; M827-A857 HydrophobicContact SD-CB 3.79Å; Y846-A857 HydrophobicContact CD1-CB 4.41Å; A849-A857 HydrophobicContact CB-CB 3.59Å; A850-A857 HydrophobicContact CB-CB 4.05Å; L854-A857 HydrophobicContact CB-CB 4.14Å; L854-A857 HydrophobicContact CD2-CB 4.06Å; L854-A857 HydrophobicContact CG-CB 4.18Å; L854-A857 PolarHBondContact O-N 3.46Å; A857-S859 VanDerWaalsContact C-N 3.27Å; A857-S859 PolarHBondContact O-N 2.61Å; A857-N860 PolarHBondContact O-N 3.04Å; A857-T861 WeakPolarHBondContact O-CB 3.24Å; A857-T861 PolarHBondContact O-N 3.29Å; A857-T861 PolarHBondContact O-OG1 3.41Å
858	Q	90.7	Very high	87	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.6	-39.5	174.5	-66.6	166	-1.1	0	0	111.9	A850 L854 L856 A862 Y888 H891 S892 N895	A850-Q858 HydrophobicContact CB-CB 4.28Å; A850-Q858 HydrophobicContact CB-CG 3.63Å; A850-Q858 WeakPolarHBondContact O-CG 3.47Å; A850-Q858 PolarHBondContact O-NE2 3.46Å; L854-Q858 WeakPolarHBondContact O-CG 3.42Å; L854-Q858 PolarHBondContact O-N 2.02Å; L856-Q858 VanDerWaalsContact C-N 3.33Å; L856-Q858 PolarHBondContact O-N 3.23Å; Q858-A862 WeakPolarHBondContact O-CB 3.41Å; Q858-A862 PolarHBondContact O-N 3.29Å; Q858-Y888 HydrophobicContact CG-CD1 4.34Å; Q858-Y888 WeakPolarHBondContact O-CB 3.48Å; Q858-H891 HydrophobicContact CG-CB 4.22Å; Q858-H891 PolarHBondContact OE1-O 3.19Å; Q858-S892 VanDerWaalsContact OE1-CA 3.23Å; Q858-N895 PolarHBondContact OE1-ND2 2.84Å
859	S	87.3	Confident	85.6	Confident	5 Å²	5	13.8 Å²	13.8	4%	0.035	7%	0.073	C	C	.	.	H	α-helix	trans	-68.4	-42.7	176.5	-57.1	0	0	0	0	112.2	G855 L856 A857 A862 H863	G855-S859 WeakPolarHBondContact O-CB 2.98Å; G855-S859 PolarHBondContact O-N 3.05Å; G855-S859 PolarHBondContact O-OG 3.48Å; L856-S859 WeakPolarHBondContact O-CB 3.42Å; L856-S859 PolarHBondContact O-N 3.31Å; L856-S859 VanDerWaalsContact O-N 3.15Å; A857-S859 VanDerWaalsContact C-N 3.27Å; A857-S859 PolarHBondContact O-N 2.61Å; S859-A862 PolarHBondContact O-N 2.93Å; S859-H863 PolarHBondContact O-N 3.25Å
860	N	89	Confident	83.7	Confident	2 Å²	2	19.8 Å²	19.8	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-69.2	-38.4	177.9	-69.9	-3.5	0	0	0	112.1	I607 Y608 L609 Y846 L856 A857 H863 L864	I607-N860 PolarHBondContact O-ND2 2.99Å; Y608-N860 WeakPolarHBondContact CA-OD1 3.42Å; L609-N860 HydrophobicContact CD1-CB 4.08Å; L609-N860 HydrophobicContact CG-CB 4.09Å; L609-N860 PolarHBondContact N-OD1 2.7Å; Y846-N860 HydrophobicContact CD1-CB 3.85Å; Y846-N860 HydrophobicContact CD2-CB 4.39Å; Y846-N860 HydrophobicContact CE1-CB 3.85Å; Y846-N860 WeakPolarHBondContact CE1-ND2 3.36Å; Y846-N860 HydrophobicContact CE2-CB 4.4Å; Y846-N860 HydrophobicContact CG-CB 4.14Å; L856-N860 PolarHBondContact O-N 3.39Å; A857-N860 PolarHBondContact O-N 3.04Å; N860-H863 PolarHBondContact O-N 3.38Å; N860-L864 WeakPolarHBondContact O-CG 3.39Å; N860-L864 PolarHBondContact O-N 2.69Å
861	T	89.9	Confident	81.7	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-44.8	172	-61	0	0	0	0	111.6	L843 Y846 I847 A857 H863 L864 C865 Y888	L843-T861 HydrophobicContact CD1-CG2 4.01Å; Y846-T861 VanDerWaalsContact C-OG1 3.25Å; Y846-T861 WeakPolarHBondContact CB-OG1 3.42Å; Y846-T861 PolarHBondContact O-OG1 2.86Å; I847-T861 HydrophobicContact CD1-CG2 4.46Å; I847-T861 HydrophobicContact CG1-CG2 3.54Å; I847-T861 PolarHBondContact N-OG1 3.31Å; A857-T861 WeakPolarHBondContact O-CB 3.24Å; A857-T861 PolarHBondContact O-N 3.29Å; A857-T861 PolarHBondContact O-OG1 3.41Å; T861-H863 PolarHBondContact O-N 3.17Å; T861-L864 PolarHBondContact O-N 2.95Å; T861-C865 WeakPolarHBondContact O-CB 3.04Å; T861-C865 PolarHBondContact O-N 2.92Å; T861-Y888 HydrophobicContact CG2-CD1 4.35Å; T861-Y888 HydrophobicContact CG2-CD2 3.29Å; T861-Y888 HydrophobicContact CG2-CE2 3.48Å; T861-Y888 VanDerWaalsContact CG2-CE2 3.48Å; T861-Y888 HydrophobicContact CG2-CG 3.77Å
862	A	87.6	Confident	79.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.4	-47.5	176.7	0	0	0	0	0	111.3	Q858 S859 C865 E866 R889	Q858-A862 WeakPolarHBondContact O-CB 3.41Å; Q858-A862 PolarHBondContact O-N 3.29Å; S859-A862 PolarHBondContact O-N 2.93Å; A862-C865 PolarHBondContact O-N 3.37Å; A862-E866 PolarHBondContact O-N 3.35Å; A862-R889 HydrophobicContact CB-CG 3.81Å
863	H	85.8	Confident	77.1	Confident	46 Å²	46	36.4 Å²	36.4	21%	0.213	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-46.4	177.3	178.8	74.3	0	0	0	112.9	S859 N860 T861 C865 E866 V867	S859-H863 PolarHBondContact O-N 3.25Å; N860-H863 PolarHBondContact O-N 3.38Å; T861-H863 PolarHBondContact O-N 3.17Å; H863-C865 VanDerWaalsContact C-N 3.31Å; H863-C865 PolarHBondContact O-N 2.95Å; H863-E866 WeakPolarHBondContact O-CB 3.27Å; H863-E866 PolarHBondContact O-N 3.45Å; H863-E866 VanDerWaalsContact O-N 3.13Å; H863-V867 WeakPolarHBondContact O-CG2 3.42Å; H863-V867 PolarHBondContact O-N 2.93Å
864	L	85.9	Confident	74.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-40.1	176	-73.3	173.5	0	0	0	112.2	L609 A842 L843 Y846 N860 T861 H868	L609-L864 HydrophobicContact CD1-CD1 4.06Å; L609-L864 HydrophobicContact CD1-CD2 3.96Å; L609-L864 HydrophobicContact CD1-CG 3.88Å; A842-L864 HydrophobicContact CB-CD1 4.35Å; L843-L864 HydrophobicContact CB-CD1 4.4Å; L843-L864 HydrophobicContact CD1-CB 4.09Å; L843-L864 HydrophobicContact CD1-CD1 4.46Å; Y846-L864 HydrophobicContact CD2-CD1 3.6Å; Y846-L864 HydrophobicContact CE2-CD1 4.21Å; Y846-L864 HydrophobicContact CG-CD1 4.5Å; N860-L864 WeakPolarHBondContact O-CG 3.39Å; N860-L864 PolarHBondContact O-N 2.69Å; T861-L864 PolarHBondContact O-N 2.95Å; L864-H868 WeakPolarHBondContact O-CB 3.43Å; L864-H868 PolarHBondContact O-CD2 2.75Å; L864-H868 PolarHBondContact O-N 3.18Å; L864-H868 VanDerWaalsContact O-N 3.1Å
865	C	83.3	Confident	72.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-37.3	174.3	-82	0	0	0	0	112.3	T861 A862 H863 T869 C884	T861-C865 WeakPolarHBondContact O-CB 3.04Å; T861-C865 PolarHBondContact O-N 2.92Å; A862-C865 PolarHBondContact O-N 3.37Å; H863-C865 VanDerWaalsContact C-N 3.31Å; H863-C865 PolarHBondContact O-N 2.95Å; C865-T869 VanDerWaalsContact O-CB 3.31Å; C865-T869 WeakPolarHBondContact O-CB 3.46Å; C865-T869 VanDerWaalsContact O-CG2 3.29Å; C865-T869 WeakPolarHBondContact O-CG2 3.09Å; C865-T869 PolarHBondContact O-N 3.29Å; C865-T869 PolarHBondContact O-OG1 3.39Å; C865-C884 HydrophobicContact CB-CB 3.62Å; C865-C884 WeakPolarHBondContact CB-SG 3.47Å; C865-C884 WeakPolarHBondContact SG-CB 3.47Å; C865-C884 CovalentContact SG-SG 2.03Å; C865-C884 PolarHBondContact SG-SG 3.45Å
866	E	79.4	Confident	69.8	Low	80 Å²	80	60.1 Å²	60.1	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-51.8	176.5	-171.9	170.3	176.5	0	0	113	A862 H863 H870 W885	A862-E866 PolarHBondContact O-N 3.35Å; H863-E866 WeakPolarHBondContact O-CB 3.27Å; H863-E866 PolarHBondContact O-N 3.45Å; H863-E866 VanDerWaalsContact O-N 3.13Å; E866-H870 PolarHBondContact O-ND1 2.87Å; E866-W885 PolarHBondContact OE2-NE1 2.9Å
867	V	78.2	Confident	67.7	Low	55 Å²	55	67.8 Å²	67.8	33%	0.333	34%	0.335	S	S	.	.	H	α-helix	trans	-68	-45.8	-175.5	174.5	0	0	0	0	111.9	H863 H870	H863-V867 WeakPolarHBondContact O-CG2 3.42Å; H863-V867 PolarHBondContact O-N 2.93Å; V867-H870 PolarHBondContact O-CD2 2.95Å; V867-H870 PolarHBondContact O-NE2 3.49Å
868	H	71	Confident	65.8	Low	68 Å²	68	73.5 Å²	73.5	32%	0.315	37%	0.365	S	S	.	.	H	α-helix	trans	-90	-9.7	-170.1	-65.2	-73.4	0	0	0	114.7	W839 L864	W839-H868 HydrophobicContact CD2-CB 4.13Å; W839-H868 AromaticContact CD2-CG 3.86Å; W839-H868 HydrophobicContact CE3-CB 3.75Å; W839-H868 AromaticContact CE3-CD2 4Å; W839-H868 AromaticContact CE3-CG 3.78Å; W839-H868 AromaticContact CG-CE1 3.97Å; W839-H868 AromaticContact CG-ND1 3.96Å; W839-H868 HydrophobicContact CH2-CB 4.48Å; W839-H868 HydrophobicContact CZ3-CB 3.94Å; L864-H868 WeakPolarHBondContact O-CB 3.43Å; L864-H868 PolarHBondContact O-CD2 2.75Å; L864-H868 PolarHBondContact O-N 3.18Å; L864-H868 VanDerWaalsContact O-N 3.1Å
869	T	62.8	Low	64.2	Low	13 Å²	13	73.9 Å²	73.9	8%	0.08	37%	0.369	C	S	.	.	H	α-helix	trans	-110.6	3.4	-178.1	76.4	0	0	0	0	115.4	I499 C865 T871 G881	I499-T869 HydrophobicContact CD1-CG2 3.91Å; I499-T869 HydrophobicContact CG1-CG2 4.21Å; C865-T869 VanDerWaalsContact O-CB 3.31Å; C865-T869 WeakPolarHBondContact O-CB 3.46Å; C865-T869 VanDerWaalsContact O-CG2 3.29Å; C865-T869 WeakPolarHBondContact O-CG2 3.09Å; C865-T869 PolarHBondContact O-N 3.29Å; C865-T869 PolarHBondContact O-OG1 3.39Å; T869-T871 PolarHBondContact O-N 2.66Å; T869-G881 VanDerWaalsContact OG1-CA 3.32Å; T869-G881 WeakPolarHBondContact OG1-CA 3.26Å
870	H	51.6	Low	62.9	Low	125 Å²	125	75.3 Å²	75.3	58%	0.579	38%	0.377	S	S	*	.			trans	-15.5	89.8	-177.9	-79.4	-39.5	0	0	0	116.5	E866 V867	E866-H870 PolarHBondContact O-ND1 2.87Å; V867-H870 PolarHBondContact O-CD2 2.95Å; V867-H870 PolarHBondContact O-NE2 3.49Å
871	T	50.4	Low	61.8	Low	66 Å²	66	75.5 Å²	75.5	41%	0.405	38%	0.379	S	S	.	.			trans	-98.8	121.8	157.4	44	0	0	0	0	107.5	T869 F873	T869-T871 PolarHBondContact O-N 2.66Å; T871-F873 PolarHBondContact O-N 3.19Å
872	P	42.8	Very low	61	Low	96 Å²	96	78 Å²	78	62%	0.623	39%	0.389	S	S	*	.			trans	-66.5	135.3	179.7	25.6	-32.4	0	0	0	110.2	T874	P872-T874 PolarHBondContact O-N 3.43Å
873	F	45.3	Very low	60.5	Low	188 Å²	188	82 Å²	82	83%	0.825	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-1.6	-175.9	-101	-94.1	0	0	0	117.3	T871	T871-F873 PolarHBondContact O-N 3.19Å
874	T	37.4	Very low	60.4	Low	128 Å²	128	79.9 Å²	79.9	79%	0.785	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	3	-165.8	54.1	0	0	0	0	115.1	P872	P872-T874 PolarHBondContact O-N 3.43Å
875	K	34.9	Very low	60.4	Low	179 Å²	179	81.1 Å²	81.1	78%	0.778	41%	0.406	S	S	*	.	S	Bend	trans	-129.1	143.5	173.6	-90.2	-175.9	175.1	-179.2	0	114.1	E877	K875-E877 PolarHBondContact O-N 3.26Å
876	K	37.6	Very low	60.3	Low	206 Å²	206	82.4 Å²	82.4	90%	0.896	41%	0.414	S	S	*	.	S	Bend	trans	-81.5	27.7	-161.2	-152.1	178.4	-177.1	-178.9	0	114.5
877	E	42.1	Very low	60.7	Low	165 Å²	165	80.2 Å²	80.2	77%	0.771	40%	0.402	S	S	*	.			trans	-117.1	90.5	179.8	-72.3	173.5	169.3	0	0	107.4	K875 G879	K875-E877 PolarHBondContact O-N 3.26Å; E877-G879 PolarHBondContact O-N 3.06Å
878	L	48.9	Very low	61.2	Low	121 Å²	121	77.6 Å²	77.6	63%	0.634	39%	0.387	S	S	*	.			trans	-61.6	118	176	-79.4	72.9	0	0	0	108.4	Y882	L878-Y882 HydrophobicContact CD2-CD1 3.88Å; L878-Y882 HydrophobicContact CD2-CE1 3.85Å; L878-Y882 HydrophobicContact CG-CD1 4.06Å; L878-Y882 HydrophobicContact CG-CE1 4.31Å
879	G	57	Low	62	Low	8 Å²	8	75 Å²	75	8%	0.082	37%	0.374	C	S	.	.			trans	-91.7	157.9	176.8	0	0	0	0	0	112.6	E877 G881 Y882 D883	E877-G879 PolarHBondContact O-N 3.06Å; G879-G881 PolarHBondContact O-N 3.09Å; G879-Y882 WeakPolarHBondContact O-CB 3.27Å; G879-Y882 PolarHBondContact O-N 3.19Å; G879-D883 PolarHBondContact O-N 3.14Å
880	V	59.2	Low	63.2	Low	34 Å²	34	77.4 Å²	77.4	21%	0.206	39%	0.386	C	S	.	.	H	α-helix	trans	-48.4	-33.2	179.4	-179.7	0	0	0	0	113.5	I499 L532 C884	I499-V880 HydrophobicContact CB-CG1 4.23Å; L532-V880 HydrophobicContact CD2-CG1 4.15Å; V880-C884 PolarHBondContact O-N 3.31Å
881	G	66.4	Low	65	Low	6 Å²	6	71.7 Å²	71.7	6%	0.062	36%	0.36	C	S	.	.	H	α-helix	trans	-72.9	-28.4	177.9	0	0	0	0	0	115.5	T869 G879 C884 W885	T869-G881 VanDerWaalsContact OG1-CA 3.32Å; T869-G881 WeakPolarHBondContact OG1-CA 3.26Å; G879-G881 PolarHBondContact O-N 3.09Å; G881-C884 WeakPolarHBondContact O-CB 3.47Å; G881-W885 PolarHBondContact O-N 2.94Å
882	Y	73.2	Confident	66.6	Low	53 Å²	53	68.8 Å²	68.8	21%	0.208	34%	0.342	C	S	.	.	H	α-helix	trans	-71.4	-40.7	172.7	177.9	-95	0	0	0	111.2	L878 G879 C884 W885 C886 Y910	L878-Y882 HydrophobicContact CD2-CD1 3.88Å; L878-Y882 HydrophobicContact CD2-CE1 3.85Å; L878-Y882 HydrophobicContact CG-CD1 4.06Å; L878-Y882 HydrophobicContact CG-CE1 4.31Å; G879-Y882 WeakPolarHBondContact O-CB 3.27Å; G879-Y882 PolarHBondContact O-N 3.19Å; Y882-C884 VanDerWaalsContact C-N 3.32Å; Y882-C884 PolarHBondContact O-N 3.05Å; Y882-W885 HydrophobicContact CE2-CE3 4.38Å; Y882-W885 PolarHBondContact O-N 2.87Å; Y882-C886 WeakPolarHBondContact CE1-SG 3.26Å; Y882-C886 WeakPolarHBondContact O-CB 3.4Å; Y882-C886 PolarHBondContact O-N 3.17Å; Y882-C886 PolarHBondContact O-SG 3.46Å; Y882-Y910 WeakPolarHBondContact OH-CE2 3.12Å
883	D	77.7	Confident	68.6	Low	85 Å²	85	64.4 Å²	64.4	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-38.4	174.3	-65.8	-26.3	0	0	0	111.1	G879 R887	G879-D883 PolarHBondContact O-N 3.14Å; D883-R887 VanDerWaalsContact O-CB 3.25Å; D883-R887 WeakPolarHBondContact O-CB 3.46Å; D883-R887 PolarHBondContact O-N 3.47Å
884	C	83.8	Confident	70.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-56	-55.1	169.4	179.7	0	0	0	0	112.1	L532 C865 V880 G881 Y882 C886 R887 Y888	L532-C884 HydrophobicContact CD2-CB 3.61Å; C865-C884 HydrophobicContact CB-CB 3.62Å; C865-C884 WeakPolarHBondContact CB-SG 3.47Å; C865-C884 WeakPolarHBondContact SG-CB 3.47Å; C865-C884 CovalentContact SG-SG 2.03Å; C865-C884 PolarHBondContact SG-SG 3.45Å; V880-C884 PolarHBondContact O-N 3.31Å; G881-C884 WeakPolarHBondContact O-CB 3.47Å; Y882-C884 VanDerWaalsContact C-N 3.32Å; Y882-C884 PolarHBondContact O-N 3.05Å; C884-C886 PolarHBondContact O-N 3.3Å; C884-R887 PolarHBondContact O-N 2.88Å; C884-Y888 VanDerWaalsContact O-CD2 3.25Å; C884-Y888 WeakPolarHBondContact O-CD2 3.35Å; C884-Y888 PolarHBondContact O-N 2.98Å; C884-Y888 VanDerWaalsContact O-N 3.07Å
885	W	85.8	Confident	72.2	Confident	26 Å²	26	52.6 Å²	52.6	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-50.3	-178.7	177.2	90.8	0	0	0	111.3	E866 G881 Y882 R887 Y888 R889 E906	E866-W885 PolarHBondContact OE2-NE1 2.9Å; G881-W885 PolarHBondContact O-N 2.94Å; Y882-W885 HydrophobicContact CE2-CE3 4.38Å; Y882-W885 PolarHBondContact O-N 2.87Å; W885-R887 VanDerWaalsContact C-N 3.35Å; W885-R887 PolarHBondContact O-N 2.83Å; W885-Y888 PolarHBondContact O-N 3.25Å; W885-R889 HydrophobicContact CD2-CG 4.14Å; W885-R889 HydrophobicContact CG-CG 4.42Å; W885-R889 HydrophobicContact CZ2-CG 4.08Å; W885-R889 WeakPolarHBondContact O-CB 3.26Å; W885-R889 WeakPolarHBondContact O-CG 3.23Å; W885-R889 PolarHBondContact O-N 3.12Å; W885-E906 HydrophobicContact CZ2-CB 4.33Å
886	C	81.8	Confident	73.4	Confident	27 Å²	27	47.4 Å²	47.4	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-44.8	177	-76.4	0	0	0	0	112.3	Y882 C884 N890	Y882-C886 WeakPolarHBondContact CE1-SG 3.26Å; Y882-C886 WeakPolarHBondContact O-CB 3.4Å; Y882-C886 PolarHBondContact O-N 3.17Å; Y882-C886 PolarHBondContact O-SG 3.46Å; C884-C886 PolarHBondContact O-N 3.3Å; C886-N890 WeakPolarHBondContact O-CB 3.49Å; C886-N890 PolarHBondContact O-N 3.34Å
887	R	87.8	Confident	74.3	Confident	34 Å²	34	39.9 Å²	39.9	13%	0.128	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-53.4	179.7	177.9	-179.7	178.3	80.5	2	111.1	D569 E851 D883 C884 W885 N890 H891	D569-R887 IonicContact OD1-CZ 2.72Å; D569-R887 IonicContact OD1-NH1 3.11Å; D569-R887 PolarHBondContact OD1-NH1 3.14Å; D569-R887 IonicContact OD1-NH2 3.16Å; D569-R887 IonicContact OD2-CZ 3.55Å; D569-R887 IonicContact OD2-NH1 2.86Å; D569-R887 IonicContact OD2-NH2 3.58Å; D569-R887 PolarHBondContact OD2-NH2 3.12Å; E851-R887 IonicContact OE1-CZ 3.76Å; E851-R887 IonicContact OE1-NE 3.9Å; E851-R887 PolarHBondContact OE1-NE 3.23Å; E851-R887 VanDerWaalsContact OE1-NE 3.09Å; E851-R887 IonicContact OE1-NH2 3.94Å; E851-R887 PolarHBondContact OE1-NH2 3.48Å; E851-R887 IonicContact OE2-NH2 3.5Å; D883-R887 VanDerWaalsContact O-CB 3.25Å; D883-R887 WeakPolarHBondContact O-CB 3.46Å; D883-R887 PolarHBondContact O-N 3.47Å; C884-R887 PolarHBondContact O-N 2.88Å; W885-R887 VanDerWaalsContact C-N 3.35Å; W885-R887 PolarHBondContact O-N 2.83Å; R887-N890 PolarHBondContact O-N 2.86Å; R887-H891 PolarHBondContact O-N 3.33Å; R887-H891 PolarHBondContact O-ND1 3.47Å
888	Y	88.8	Confident	74.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-79.3	-30.4	-173.2	-67.1	-68	0	0	0	113.5	L532 I847 A850 E851 Q858 T861 C884 W885 H891 S892	L532-Y888 HydrophobicContact CD1-CE2 4.24Å; I847-Y888 HydrophobicContact CG1-CE2 4.32Å; A850-Y888 HydrophobicContact CB-CD1 3.86Å; A850-Y888 HydrophobicContact CB-CE1 3.82Å; E851-Y888 HydrophobicContact CG-CE1 4.19Å; E851-Y888 PolarHBondContact OE1-OH 2.93Å; Q858-Y888 HydrophobicContact CG-CD1 4.34Å; Q858-Y888 WeakPolarHBondContact O-CB 3.48Å; T861-Y888 HydrophobicContact CG2-CD1 4.35Å; T861-Y888 HydrophobicContact CG2-CD2 3.29Å; T861-Y888 HydrophobicContact CG2-CE2 3.48Å; T861-Y888 VanDerWaalsContact CG2-CE2 3.48Å; T861-Y888 HydrophobicContact CG2-CG 3.77Å; C884-Y888 VanDerWaalsContact O-CD2 3.25Å; C884-Y888 WeakPolarHBondContact O-CD2 3.35Å; C884-Y888 PolarHBondContact O-N 2.98Å; C884-Y888 VanDerWaalsContact O-N 3.07Å; W885-Y888 PolarHBondContact O-N 3.25Å; Y888-H891 PolarHBondContact O-N 3.23Å; Y888-S892 WeakPolarHBondContact O-CB 3.36Å; Y888-S892 PolarHBondContact O-N 3.48Å
889	R	87.3	Confident	75.1	Confident	13 Å²	13	33.8 Å²	33.8	5%	0.049	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-45.6	166.6	-72	-53.5	-163.6	-159.7	2.7	111.7	A862 W885 H891 S892 I893 E906 M907	A862-R889 HydrophobicContact CB-CG 3.81Å; W885-R889 HydrophobicContact CD2-CG 4.14Å; W885-R889 HydrophobicContact CG-CG 4.42Å; W885-R889 HydrophobicContact CZ2-CG 4.08Å; W885-R889 WeakPolarHBondContact O-CB 3.26Å; W885-R889 WeakPolarHBondContact O-CG 3.23Å; W885-R889 PolarHBondContact O-N 3.12Å; R889-H891 VanDerWaalsContact C-N 3.31Å; R889-H891 PolarHBondContact O-N 3.49Å; R889-S892 PolarHBondContact O-N 2.85Å; R889-S892 VanDerWaalsContact O-N 3.1Å; R889-S892 PolarHBondContact O-OG 2.75Å; R889-I893 PolarHBondContact O-N 2.56Å; R889-E906 IonicContact CZ-OE1 3.5Å; R889-E906 IonicContact CZ-OE2 3.21Å; R889-E906 IonicContact NE-OE1 3.69Å; R889-E906 IonicContact NE-OE2 2.8Å; R889-E906 PolarHBondContact NE-OE2 2.92Å; R889-E906 IonicContact NH2-OE1 2.82Å; R889-E906 PolarHBondContact NH2-OE1 2.69Å; R889-E906 IonicContact NH2-OE2 2.68Å; R889-E906 PolarHBondContact NH2-OE2 2.57Å; R889-M907 HydrophobicContact CB-CG 4.03Å; R889-M907 HydrophobicContact CB-SD 3.55Å; R889-M907 VanDerWaalsContact CB-SD 3.55Å
890	N	87.8	Confident	75.2	Confident	64 Å²	64	34.9 Å²	34.9	34%	0.342	20%	0.195	S	C	.	.	H	α-helix	trans	-62.5	-35.1	174.7	-171.5	20.4	0	0	0	112.6	C886 R887 I893 L894 M907	C886-N890 WeakPolarHBondContact O-CB 3.49Å; C886-N890 PolarHBondContact O-N 3.34Å; R887-N890 PolarHBondContact O-N 2.86Å; N890-I893 WeakPolarHBondContact O-CG1 3.43Å; N890-L894 WeakPolarHBondContact O-CG 3.38Å; N890-M907 HydrophobicContact CB-CE 4.33Å
891	H	88.3	Confident	75.3	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-39.9	171.5	-70.8	5.7	0	0	0	112.3	F562 K563 Q858 R887 Y888 R889 I893 L894 N895	F562-H891 HydrophobicContact CZ-CB 4.37Å; K563-H891 PolarHBondContact NZ-NE2 3.45Å; Q858-H891 HydrophobicContact CG-CB 4.22Å; Q858-H891 PolarHBondContact OE1-O 3.19Å; R887-H891 PolarHBondContact O-N 3.33Å; R887-H891 PolarHBondContact O-ND1 3.47Å; Y888-H891 PolarHBondContact O-N 3.23Å; R889-H891 VanDerWaalsContact C-N 3.31Å; R889-H891 PolarHBondContact O-N 3.49Å; H891-I893 VanDerWaalsContact C-N 3.26Å; H891-I893 PolarHBondContact O-N 3.17Å; H891-L894 WeakPolarHBondContact O-CB 3.41Å; H891-L894 PolarHBondContact O-N 2.83Å; H891-N895 PolarHBondContact O-ND2 3.46Å
892	S	85.8	Confident	75.8	Confident	4 Å²	4	39 Å²	39	3%	0.028	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-34.5	-177.4	75.1	0	0	0	0	113.4	Q858 Y888 R889 L894 N895 H899 A903	Q858-S892 VanDerWaalsContact OE1-CA 3.23Å; Y888-S892 WeakPolarHBondContact O-CB 3.36Å; Y888-S892 PolarHBondContact O-N 3.48Å; R889-S892 PolarHBondContact O-N 2.85Å; R889-S892 VanDerWaalsContact O-N 3.1Å; R889-S892 PolarHBondContact O-OG 2.75Å; S892-L894 VanDerWaalsContact C-N 3.29Å; S892-L894 PolarHBondContact O-N 2.92Å; S892-N895 WeakPolarHBondContact CA-ND2 3.24Å; S892-N895 PolarHBondContact O-ND2 2.95Å; S892-H899 PolarHBondContact O-ND1 3.29Å; S892-A903 WeakPolarHBondContact OG-CB 3.12Å
893	I	83.6	Confident	76.1	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.1	178.2	64.1	161.1	0	0	0	114.3	R889 N890 H891 L904 M907 M932 R935	R889-I893 PolarHBondContact O-N 2.56Å; N890-I893 WeakPolarHBondContact O-CG1 3.43Å; H891-I893 VanDerWaalsContact C-N 3.26Å; H891-I893 PolarHBondContact O-N 3.17Å; I893-L904 HydrophobicContact CB-CD2 4.09Å; I893-L904 HydrophobicContact CG2-CD2 3.75Å; I893-L904 HydrophobicContact CG2-CG 4.39Å; I893-M907 HydrophobicContact CG2-CB 4.46Å; I893-M907 HydrophobicContact CG2-CG 4.06Å; I893-M932 HydrophobicContact CD1-CE 3.58Å; I893-M932 HydrophobicContact CD1-SD 3.77Å; I893-R935 VanDerWaalsContact O-CZ 3.3Å; I893-R935 PolarHBondContact O-NH1 2.95Å; I893-R935 PolarHBondContact O-NH2 3.19Å
894	L	82.4	Confident	76.4	Confident	58 Å²	58	32.4 Å²	32.4	30%	0.304	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-21.5	177.1	-63.4	173.1	0	0	0	113.1	H566 L568 N890 H891 S892	H566-L894 HydrophobicContact CB-CD1 4.39Å; H566-L894 PolarHBondContact NE2-O 2.97Å; L568-L894 HydrophobicContact CD1-CD1 3.87Å; L568-L894 HydrophobicContact CD2-CD1 3.85Å; L568-L894 HydrophobicContact CG-CD1 4.3Å; N890-L894 WeakPolarHBondContact O-CG 3.38Å; H891-L894 WeakPolarHBondContact O-CB 3.41Å; H891-L894 PolarHBondContact O-N 2.83Å; S892-L894 VanDerWaalsContact C-N 3.29Å; S892-L894 PolarHBondContact O-N 2.92Å
895	N	75.1	Confident	76.5	Confident	9 Å²	9	32.7 Å²	32.7	5%	0.048	19%	0.186	C	C	.	.	S	Bend	trans	-68.4	151.8	-176.8	-52.9	-66.7	0	0	0	112.1	G853 G855 Q858 H891 S892 D897 H899	G853-N895 PolarHBondContact O-OD1 3.46Å; G853-N895 VanDerWaalsContact O-OD1 3.1Å; G855-N895 VanDerWaalsContact CA-ND2 3.34Å; G855-N895 WeakPolarHBondContact CA-ND2 3.5Å; Q858-N895 PolarHBondContact OE1-ND2 2.84Å; H891-N895 PolarHBondContact O-ND2 3.46Å; S892-N895 WeakPolarHBondContact CA-ND2 3.24Å; S892-N895 PolarHBondContact O-ND2 2.95Å; N895-D897 VanDerWaalsContact C-N 3.34Å; N895-H899 PolarHBondContact O-CE1 3.21Å; N895-H899 PolarHBondContact O-NE2 3.03Å
896	S	60.4	Low	76.5	Confident	70 Å²	70	33.8 Å²	33.8	49%	0.49	19%	0.192	S	C	.	.	S	Bend	trans	-87.8	3.5	-179.9	-41.9	0	0	0	0	114.7
897	D	57.5	Low	76.6	Confident	48 Å²	48	32.7 Å²	32.7	26%	0.257	19%	0.185	S	C	.	.	S	Bend	trans	-72.1	156.1	177.6	-60.1	-43	0	0	0	110.4	K818 N895 H899	K818-D897 WeakPolarHBondContact CE-OD2 3.42Å; K818-D897 IonicContact NZ-OD1 3.54Å; K818-D897 PolarHBondContact NZ-OD1 3.01Å; K818-D897 IonicContact NZ-OD2 3.61Å; K818-D897 PolarHBondContact NZ-OD2 2.93Å; N895-D897 VanDerWaalsContact C-N 3.34Å; D897-H899 PolarHBondContact O-N 3.42Å
898	P	52.2	Low	76.6	Confident	123 Å²	123	31 Å²	31	80%	0.799	18%	0.179	S	C	*	.			trans	-58	105.3	166.3	25.5	-33.3	0	0	0	108.3
899	H	54.5	Low	76.5	Confident	35 Å²	35	33 Å²	33	16%	0.162	19%	0.189	C	C	.	.			trans	-61	143.2	-174.5	-60.8	-80.7	0	0	0	110.2	S892 N895 D897 S901 L904 R935	S892-H899 PolarHBondContact O-ND1 3.29Å; N895-H899 PolarHBondContact O-CE1 3.21Å; N895-H899 PolarHBondContact O-NE2 3.03Å; D897-H899 PolarHBondContact O-N 3.42Å; H899-S901 PolarHBondContact O-N 3.07Å; H899-L904 HydrophobicContact CB-CD1 3.88Å; H899-L904 HydrophobicContact CB-CG 4.26Å; H899-R935 PolarHBondContact CE1-NH2 3.02Å; H899-R935 PolarHBondContact NE2-NH2 3.12Å
900	P	59.6	Low	76.3	Confident	32 Å²	32	36.1 Å²	36.1	21%	0.208	20%	0.201	C	C	.	.			trans	-57.8	118	154.4	28.6	-32.6	0	0	0	106.2	Y608 I902 A903	Y608-P900 HydrophobicContact CE1-CB 4.29Å; Y608-P900 HydrophobicContact CE1-CG 3.75Å; P900-I902 PolarHBondContact O-N 3.32Å; P900-A903 HydrophobicContact CG-CB 4.42Å; P900-A903 PolarHBondContact O-N 2.87Å
901	S	62.2	Low	76.2	Confident	43 Å²	43	34.2 Å²	34.2	30%	0.301	19%	0.189	S	C	.	.	H	α-helix	trans	-44.9	-42.2	-177.8	48.3	0	0	0	0	111.7	H899 A903 L904 L905	H899-S901 PolarHBondContact O-N 3.07Å; S901-A903 VanDerWaalsContact C-N 3.3Å; S901-A903 PolarHBondContact O-N 3.23Å; S901-A903 VanDerWaalsContact O-N 3.17Å; S901-L904 PolarHBondContact O-N 3.39Å; S901-L905 VanDerWaalsContact O-CG 3.3Å; S901-L905 WeakPolarHBondContact O-CG 3.34Å; S901-L905 PolarHBondContact O-N 3.05Å
902	I	76.3	Confident	76	Confident	82 Å²	82	36.2 Å²	36.2	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-35.8	-52.4	171.7	-59.9	167.9	0	0	0	113.3	P900 L904 L905 E906	P900-I902 PolarHBondContact O-N 3.32Å; I902-L904 PolarHBondContact O-N 2.92Å; I902-L905 PolarHBondContact O-N 3.12Å; I902-E906 HydrophobicContact CG2-CG 4.45Å; I902-E906 WeakPolarHBondContact CG2-OE1 3.26Å; I902-E906 WeakPolarHBondContact O-CG 3.35Å; I902-E906 PolarHBondContact O-N 2.87Å
903	A	79.3	Confident	75.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-32.6	-175	0	0	0	0	0	113.4	S892 P900 S901 M907	S892-A903 WeakPolarHBondContact OG-CB 3.12Å; P900-A903 HydrophobicContact CG-CB 4.42Å; P900-A903 PolarHBondContact O-N 2.87Å; S901-A903 VanDerWaalsContact C-N 3.3Å; S901-A903 PolarHBondContact O-N 3.23Å; S901-A903 VanDerWaalsContact O-N 3.17Å; A903-M907 WeakPolarHBondContact O-CB 3.48Å; A903-M907 WeakPolarHBondContact O-CG 3.12Å; A903-M907 PolarHBondContact O-N 3.48Å
904	L	85.1	Confident	75.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-75.9	-35.7	173.1	-69	168.2	0	0	0	111.1	I893 H899 S901 I902 G908 M932 R935 A936	I893-L904 HydrophobicContact CB-CD2 4.09Å; I893-L904 HydrophobicContact CG2-CD2 3.75Å; I893-L904 HydrophobicContact CG2-CG 4.39Å; H899-L904 HydrophobicContact CB-CD1 3.88Å; H899-L904 HydrophobicContact CB-CG 4.26Å; S901-L904 PolarHBondContact O-N 3.39Å; I902-L904 PolarHBondContact O-N 2.92Å; L904-G908 PolarHBondContact O-N 2.83Å; L904-M932 HydrophobicContact CD2-SD 3.83Å; L904-M932 WeakPolarHBondContact O-CB 3.35Å; L904-R935 HydrophobicContact CD1-CB 3.75Å; L904-R935 HydrophobicContact CD2-CB 4.12Å; L904-A936 HydrophobicContact CB-CB 4Å; L904-A936 HydrophobicContact CD1-CB 4.31Å
905	L	85.6	Confident	75	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-53.1	176.5	-66.9	167.8	0	0	0	111.1	S901 I902 M907 G908 D909 Y933 A936 Q943	S901-L905 VanDerWaalsContact O-CG 3.3Å; S901-L905 WeakPolarHBondContact O-CG 3.34Å; S901-L905 PolarHBondContact O-N 3.05Å; I902-L905 PolarHBondContact O-N 3.12Å; L905-M907 PolarHBondContact O-N 3.03Å; L905-G908 CarbonylContact O-C 3.58Å; L905-G908 WeakPolarHBondContact O-CA 3.41Å; L905-G908 PolarHBondContact O-N 3.42Å; L905-G908 VanDerWaalsContact O-N 3.09Å; L905-D909 WeakPolarHBondContact O-CB 3.36Å; L905-D909 PolarHBondContact O-N 2.83Å; L905-Y933 HydrophobicContact CD2-CD1 4.15Å; L905-Y933 HydrophobicContact CD2-CE1 4.47Å; L905-A936 HydrophobicContact CD2-CB 4.21Å; L905-A936 HydrophobicContact CG-CB 4.43Å; L905-Q943 HydrophobicContact CD1-CB 4.05Å; L905-Q943 HydrophobicContact CD1-CG 4.22Å; L905-Q943 HydrophobicContact CD2-CB 4.16Å; L905-Q943 HydrophobicContact CD2-CG 4.04Å
906	E	84.2	Confident	74.4	Confident	49 Å²	49	46.4 Å²	46.4	23%	0.229	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-43.5	178.4	-74.7	176.9	-146.9	0	0	112.7	W885 R889 I902 D909 Y910	W885-E906 HydrophobicContact CZ2-CB 4.33Å; R889-E906 IonicContact CZ-OE1 3.5Å; R889-E906 IonicContact CZ-OE2 3.21Å; R889-E906 IonicContact NE-OE1 3.69Å; R889-E906 IonicContact NE-OE2 2.8Å; R889-E906 PolarHBondContact NE-OE2 2.92Å; R889-E906 IonicContact NH2-OE1 2.82Å; R889-E906 PolarHBondContact NH2-OE1 2.69Å; R889-E906 IonicContact NH2-OE2 2.68Å; R889-E906 PolarHBondContact NH2-OE2 2.57Å; I902-E906 HydrophobicContact CG2-CG 4.45Å; I902-E906 WeakPolarHBondContact CG2-OE1 3.26Å; I902-E906 WeakPolarHBondContact O-CG 3.35Å; I902-E906 PolarHBondContact O-N 2.87Å; E906-D909 PolarHBondContact O-N 2.91Å; E906-Y910 WeakPolarHBondContact O-CB 3.45Å; E906-Y910 PolarHBondContact O-N 3.01Å
907	M	84.8	Confident	74.4	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-67.8	-37.2	175.5	-72.3	-61.1	-60.4	0	0	111.7	R889 N890 I893 A903 L905 Y910 Y911 M932	R889-M907 HydrophobicContact CB-CG 4.03Å; R889-M907 HydrophobicContact CB-SD 3.55Å; R889-M907 VanDerWaalsContact CB-SD 3.55Å; N890-M907 HydrophobicContact CB-CE 4.33Å; I893-M907 HydrophobicContact CG2-CB 4.46Å; I893-M907 HydrophobicContact CG2-CG 4.06Å; A903-M907 WeakPolarHBondContact O-CB 3.48Å; A903-M907 WeakPolarHBondContact O-CG 3.12Å; A903-M907 PolarHBondContact O-N 3.48Å; L905-M907 PolarHBondContact O-N 3.03Å; M907-Y910 HydrophobicContact CE-CD1 4.3Å; M907-Y910 PolarHBondContact O-N 3.26Å; M907-Y911 HydrophobicContact CB-CE2 4.32Å; M907-Y911 HydrophobicContact CE-CE1 4.42Å; M907-Y911 HydrophobicContact CE-CE2 3.81Å; M907-Y911 WeakPolarHBondContact CE-OH 3.32Å; M907-Y911 WeakPolarHBondContact O-CD2 3.31Å; M907-Y911 PolarHBondContact O-N 2.74Å; M907-M932 HydrophobicContact CB-CG 4.38Å
908	G	87.3	Confident	74.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-49	173	0	0	0	0	0	112	L904 L905 Y911 Y912 A929 Y933	L904-G908 PolarHBondContact O-N 2.83Å; L905-G908 CarbonylContact O-C 3.58Å; L905-G908 WeakPolarHBondContact O-CA 3.41Å; L905-G908 PolarHBondContact O-N 3.42Å; L905-G908 VanDerWaalsContact O-N 3.09Å; G908-Y911 PolarHBondContact O-N 3.31Å; G908-Y912 VanDerWaalsContact O-CB 3.22Å; G908-Y912 WeakPolarHBondContact O-CB 3.19Å; G908-Y912 PolarHBondContact O-N 3.14Å; G908-A929 WeakPolarHBondContact O-CB 3.5Å; G908-Y933 VanDerWaalsContact C-CZ 3.45Å; G908-Y933 VanDerWaalsContact C-OH 3.28Å; G908-Y933 PolarHBondContact O-OH 3.06Å
909	D	86.2	Confident	73.9	Confident	42 Å²	42	54 Å²	54	23%	0.225	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-46.5	176.6	-73	3.4	0	0	0	110.7	L905 E906 Y911 Y912 Y913 Y933 N947	L905-D909 WeakPolarHBondContact O-CB 3.36Å; L905-D909 PolarHBondContact O-N 2.83Å; E906-D909 PolarHBondContact O-N 2.91Å; D909-Y911 PolarHBondContact O-N 2.99Å; D909-Y912 PolarHBondContact O-N 3.49Å; D909-Y913 HydrophobicContact CB-CD2 4.23Å; D909-Y913 HydrophobicContact CB-CE2 4.11Å; D909-Y913 WeakPolarHBondContact O-CD2 3.43Å; D909-Y913 PolarHBondContact O-N 3.13Å; D909-Y933 VanDerWaalsContact CA-OH 3.26Å; D909-Y933 WeakPolarHBondContact CA-OH 3.32Å; D909-Y933 PolarHBondContact N-OH 3.38Å; D909-Y933 VanDerWaalsContact N-OH 3.15Å; D909-Y933 VanDerWaalsContact OD1-CE1 3.31Å; D909-Y933 WeakPolarHBondContact OD1-CE1 3.49Å; D909-Y933 VanDerWaalsContact OD1-CZ 3.31Å; D909-Y933 PolarHBondContact OD1-OH 2.83Å; D909-N947 PolarHBondContact OD1-ND2 3.37Å
910	Y	84.5	Confident	73.6	Confident	77 Å²	77	55.7 Å²	55.7	30%	0.302	31%	0.311	S	S	.	.	H	α-helix	trans	-56	-50.3	175.3	168.5	-112	0	0	0	112.4	Y882 E906 M907 S914	Y882-Y910 WeakPolarHBondContact OH-CE2 3.12Å; E906-Y910 WeakPolarHBondContact O-CB 3.45Å; E906-Y910 PolarHBondContact O-N 3.01Å; M907-Y910 HydrophobicContact CE-CD1 4.3Å; M907-Y910 PolarHBondContact O-N 3.26Å; Y910-S914 WeakPolarHBondContact CE2-OG 3.47Å; Y910-S914 WeakPolarHBondContact O-CB 3.45Å; Y910-S914 PolarHBondContact O-N 3.43Å; Y910-S914 PolarHBondContact O-OG 3.39Å
911	Y	85.5	Confident	73.3	Confident	24 Å²	24	59.6 Å²	59.6	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-39.6	178.3	-68.6	-50.4	0	0	0	112.1	M907 G908 D909 S915 L925 Q928 M932	M907-Y911 HydrophobicContact CB-CE2 4.32Å; M907-Y911 HydrophobicContact CE-CE1 4.42Å; M907-Y911 HydrophobicContact CE-CE2 3.81Å; M907-Y911 WeakPolarHBondContact CE-OH 3.32Å; M907-Y911 WeakPolarHBondContact O-CD2 3.31Å; M907-Y911 PolarHBondContact O-N 2.74Å; G908-Y911 PolarHBondContact O-N 3.31Å; D909-Y911 PolarHBondContact O-N 2.99Å; Y911-S915 WeakPolarHBondContact O-CB 3.21Å; Y911-S915 PolarHBondContact O-N 3.13Å; Y911-L925 HydrophobicContact CD1-CD2 3.97Å; Y911-Q928 HydrophobicContact CD1-CB 4.23Å; Y911-Q928 HydrophobicContact CD2-CB 3.76Å; Y911-Q928 HydrophobicContact CE1-CB 4.48Å; Y911-Q928 VanDerWaalsContact CE1-OE1 3.32Å; Y911-Q928 HydrophobicContact CE2-CB 4.07Å; Y911-Q928 HydrophobicContact CG-CB 3.87Å; Y911-M932 HydrophobicContact CD2-CG 4.16Å; Y911-M932 HydrophobicContact CE2-CE 4.2Å; Y911-M932 HydrophobicContact CE2-CG 4.12Å
912	Y	84.4	Confident	73.1	Confident	48 Å²	48	59.7 Å²	59.7	19%	0.188	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-53	179.2	171.4	-109.2	0	0	0	112.1	G908 D909 S914 S915 A916 L951 K954	G908-Y912 VanDerWaalsContact O-CB 3.22Å; G908-Y912 WeakPolarHBondContact O-CB 3.19Å; G908-Y912 PolarHBondContact O-N 3.14Å; D909-Y912 PolarHBondContact O-N 3.49Å; Y912-S914 VanDerWaalsContact C-N 3.34Å; Y912-S914 PolarHBondContact O-N 2.63Å; Y912-S915 WeakPolarHBondContact O-CB 3.36Å; Y912-S915 PolarHBondContact O-N 2.75Å; Y912-S915 PolarHBondContact O-OG 3.44Å; Y912-A916 PolarHBondContact O-N 2.72Å; Y912-L951 HydrophobicContact CD2-CD2 3.84Å; Y912-L951 HydrophobicContact CE2-CD2 3.8Å; Y912-K954 PolarHBondContact OH-NZ 3.23Å
913	Y	81.8	Confident	72.4	Confident	157 Å²	157	61.6 Å²	61.6	62%	0.616	34%	0.341	S	S	*	.	H	α-helix	trans	-65.9	-36.1	178	-69.5	-62	0	0	0	112.1	D909 S915 A916 G917	D909-Y913 HydrophobicContact CB-CD2 4.23Å; D909-Y913 HydrophobicContact CB-CE2 4.11Å; D909-Y913 WeakPolarHBondContact O-CD2 3.43Å; D909-Y913 PolarHBondContact O-N 3.13Å; Y913-S915 VanDerWaalsContact C-N 3.32Å; Y913-S915 PolarHBondContact O-N 3.34Å; Y913-A916 PolarHBondContact O-N 2.92Å; Y913-G917 PolarHBondContact O-N 3.07Å
914	S	77.6	Confident	72.2	Confident	36 Å²	36	64.1 Å²	64.1	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-64	-35.2	173.5	-62.3	0	0	0	0	112.8	Y910 Y912 A916 G917 T918	Y910-S914 WeakPolarHBondContact CE2-OG 3.47Å; Y910-S914 WeakPolarHBondContact O-CB 3.45Å; Y910-S914 PolarHBondContact O-N 3.43Å; Y910-S914 PolarHBondContact O-OG 3.39Å; Y912-S914 VanDerWaalsContact C-N 3.34Å; Y912-S914 PolarHBondContact O-N 2.63Å; S914-A916 VanDerWaalsContact C-N 3.3Å; S914-A916 PolarHBondContact O-N 2.83Å; S914-G917 PolarHBondContact O-N 3.38Å; S914-T918 PolarHBondContact O-OG1 3.1Å; S914-T918 VanDerWaalsContact O-OG1 3.09Å
915	S	71.1	Confident	72	Confident	9 Å²	9	65.8 Å²	65.8	6%	0.063	37%	0.368	C	S	.	.	H	α-helix	trans	-64.8	-33.1	176.2	81.3	0	0	0	0	112.7	Y911 Y912 Y913 S922	Y911-S915 WeakPolarHBondContact O-CB 3.21Å; Y911-S915 PolarHBondContact O-N 3.13Å; Y912-S915 WeakPolarHBondContact O-CB 3.36Å; Y912-S915 PolarHBondContact O-N 2.75Å; Y912-S915 PolarHBondContact O-OG 3.44Å; Y913-S915 VanDerWaalsContact C-N 3.32Å; Y913-S915 PolarHBondContact O-N 3.34Å; S915-S922 WeakPolarHBondContact CB-O 3.31Å; S915-S922 VanDerWaalsContact O-CB 3.26Å; S915-S922 WeakPolarHBondContact O-CB 3.37Å
916	A	62.3	Low	71.8	Confident	88 Å²	88	65.5 Å²	65.5	73%	0.727	37%	0.367	S	S	*	.	H	α-helix	trans	-72.5	-27.2	178.2	0	0	0	0	0	113.2	Y912 Y913 S914	Y912-A916 PolarHBondContact O-N 2.72Å; Y913-A916 PolarHBondContact O-N 2.92Å; S914-A916 VanDerWaalsContact C-N 3.3Å; S914-A916 PolarHBondContact O-N 2.83Å
917	G	59.5	Low	71.8	Confident	69 Å²	69	69.1 Å²	69.1	71%	0.711	38%	0.383	S	S	*	.	H	α-helix	trans	-85	-17.9	-177.5	0	0	0	0	0	115.9	Y913 S914	Y913-G917 PolarHBondContact O-N 3.07Å; S914-G917 PolarHBondContact O-N 3.38Å
918	T	53.9	Low	71.9	Confident	73 Å²	73	72.3 Å²	72.3	45%	0.448	40%	0.398	S	S	.	.			trans	-128.1	113.5	-169.2	51.4	0	0	0	0	114.1	S914 G920	S914-T918 PolarHBondContact O-OG1 3.1Å; S914-T918 VanDerWaalsContact O-OG1 3.09Å; T918-G920 PolarHBondContact O-N 3.03Å; T918-G920 VanDerWaalsContact O-N 3.16Å
919	R	47	Very low	72	Confident	260 Å²	260	72.3 Å²	72.3	98%	0.981	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-5.9	-176.7	-72.5	-174.7	176.5	179.1	-1	116.2
920	G	47.5	Very low	72.2	Confident	69 Å²	69	70.7 Å²	70.7	71%	0.711	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-41.7	-172.5	0	0	0	0	0	115.5	T918	T918-G920 PolarHBondContact O-N 3.03Å; T918-G920 VanDerWaalsContact O-N 3.16Å
921	N	52.8	Low	72.4	Confident	115 Å²	115	69.5 Å²	69.5	62%	0.615	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	20.8	-172.2	-71.2	-3.7	0	0	0	112.7	L923 S924 L925	N921-L923 VanDerWaalsContact C-N 3.31Å; N921-L923 PolarHBondContact O-N 3.23Å; N921-S924 PolarHBondContact O-N 3.38Å; N921-S924 PolarHBondContact O-OG 2.92Å; N921-L925 PolarHBondContact O-N 3.48Å
922	S	59.3	Low	72.6	Confident	44 Å²	44	69.1 Å²	69.1	31%	0.308	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-36.9	-173	53.1	0	0	0	0	113.8	S915 L925 A926	S915-S922 WeakPolarHBondContact CB-O 3.31Å; S915-S922 VanDerWaalsContact O-CB 3.26Å; S915-S922 WeakPolarHBondContact O-CB 3.37Å; S922-L925 PolarHBondContact O-N 3.2Å; S922-A926 WeakPolarHBondContact O-CB 3.42Å; S922-A926 PolarHBondContact O-N 3.2Å
923	L	60.4	Low	72.9	Confident	122 Å²	122	67 Å²	67	64%	0.639	38%	0.384	S	S	*	.	H	α-helix	trans	-62.9	-47.8	-178.1	-112.6	144.1	0	0	0	112.8	N921 L925 A926 E927	N921-L923 VanDerWaalsContact C-N 3.31Å; N921-L923 PolarHBondContact O-N 3.23Å; L923-L925 VanDerWaalsContact C-N 3.31Å; L923-L925 PolarHBondContact O-N 3.48Å; L923-A926 PolarHBondContact O-N 3.16Å; L923-E927 WeakPolarHBondContact O-CG 3.4Å; L923-E927 PolarHBondContact O-N 3.07Å
924	S	74.9	Confident	73.3	Confident	54 Å²	54	59.8 Å²	59.8	38%	0.378	36%	0.356	S	S	.	.	H	α-helix	trans	-72.6	-22.9	-179.5	58.7	0	0	0	0	113.5	N921 Q928	N921-S924 PolarHBondContact O-N 3.38Å; N921-S924 PolarHBondContact O-OG 2.92Å; S924-Q928 WeakPolarHBondContact O-CG 3.1Å; S924-Q928 PolarHBondContact O-N 2.99Å; S924-Q928 PolarHBondContact O-NE2 3.43Å
925	L	80.9	Confident	73.7	Confident	35 Å²	35	62 Å²	62	18%	0.183	36%	0.359	C	S	.	.	H	α-helix	trans	-77.3	-41.3	171.1	-68	171.9	0	0	0	111.1	Y911 N921 S922 L923 E927 Q928 A929	Y911-L925 HydrophobicContact CD1-CD2 3.97Å; N921-L925 PolarHBondContact O-N 3.48Å; S922-L925 PolarHBondContact O-N 3.2Å; L923-L925 VanDerWaalsContact C-N 3.31Å; L923-L925 PolarHBondContact O-N 3.48Å; L925-E927 VanDerWaalsContact C-N 3.34Å; L925-E927 PolarHBondContact O-N 3.12Å; L925-Q928 WeakPolarHBondContact O-CB 3.39Å; L925-Q928 PolarHBondContact O-N 3.5Å; L925-Q928 VanDerWaalsContact O-N 3.17Å; L925-A929 PolarHBondContact O-N 3.08Å
926	A	81.3	Confident	74.5	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.008	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-38.3	174.5	0	0	0	0	0	112.1	S922 L923 Q928 A929 V930 Y956	S922-A926 WeakPolarHBondContact O-CB 3.42Å; S922-A926 PolarHBondContact O-N 3.2Å; L923-A926 PolarHBondContact O-N 3.16Å; A926-Q928 VanDerWaalsContact C-N 3.32Å; A926-Q928 PolarHBondContact O-N 3.19Å; A926-A929 WeakPolarHBondContact O-CB 3.5Å; A926-A929 PolarHBondContact O-N 3.39Å; A926-V930 WeakPolarHBondContact O-CG2 3.5Å; A926-V930 PolarHBondContact O-N 3.01Å; A926-Y956 HydrophobicContact CB-CD1 4.05Å; A926-Y956 HydrophobicContact CB-CE1 3.38Å
927	E	84.6	Confident	75.7	Confident	124 Å²	124	57.3 Å²	57.3	58%	0.579	32%	0.321	S	S	*	.	H	α-helix	trans	-61	-37.7	171.7	-74.6	172.7	175.7	0	0	112.6	L923 L925 S931	L923-E927 WeakPolarHBondContact O-CG 3.4Å; L923-E927 PolarHBondContact O-N 3.07Å; L925-E927 VanDerWaalsContact C-N 3.34Å; L925-E927 PolarHBondContact O-N 3.12Å; E927-S931 WeakPolarHBondContact O-CB 3.48Å; E927-S931 PolarHBondContact O-N 2.86Å
928	Q	86.2	Confident	77	Confident	71 Å²	71	57.3 Å²	57.3	33%	0.332	30%	0.304	S	S	.	.	H	α-helix	trans	-67.1	-41.9	173.1	-76.6	167.7	76.6	0	0	111.8	Y911 S924 L925 A926 S931 M932	Y911-Q928 HydrophobicContact CD1-CB 4.23Å; Y911-Q928 HydrophobicContact CD2-CB 3.76Å; Y911-Q928 HydrophobicContact CE1-CB 4.48Å; Y911-Q928 VanDerWaalsContact CE1-OE1 3.32Å; Y911-Q928 HydrophobicContact CE2-CB 4.07Å; Y911-Q928 HydrophobicContact CG-CB 3.87Å; S924-Q928 WeakPolarHBondContact O-CG 3.1Å; S924-Q928 PolarHBondContact O-N 2.99Å; S924-Q928 PolarHBondContact O-NE2 3.43Å; L925-Q928 WeakPolarHBondContact O-CB 3.39Å; L925-Q928 PolarHBondContact O-N 3.5Å; L925-Q928 VanDerWaalsContact O-N 3.17Å; A926-Q928 VanDerWaalsContact C-N 3.32Å; A926-Q928 PolarHBondContact O-N 3.19Å; Q928-S931 WeakPolarHBondContact O-CB 3.27Å; Q928-S931 PolarHBondContact O-N 3.41Å; Q928-M932 WeakPolarHBondContact O-CG 3.49Å; Q928-M932 PolarHBondContact O-N 3.06Å
929	A	89.5	Confident	78.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-48.7	173.9	0	0	0	0	0	111.8	G908 L925 A926 S931 M932 Y933	G908-A929 WeakPolarHBondContact O-CB 3.5Å; L925-A929 PolarHBondContact O-N 3.08Å; A926-A929 WeakPolarHBondContact O-CB 3.5Å; A926-A929 PolarHBondContact O-N 3.39Å; A929-S931 VanDerWaalsContact C-N 3.27Å; A929-S931 PolarHBondContact O-N 3.41Å; A929-M932 PolarHBondContact O-N 3.41Å; A929-M932 VanDerWaalsContact O-N 3.17Å; A929-Y933 HydrophobicContact CB-CD2 4.47Å; A929-Y933 HydrophobicContact CB-CE2 4.11Å; A929-Y933 WeakPolarHBondContact O-CD2 3.26Å; A929-Y933 PolarHBondContact O-N 3.46Å
930	V	90.7	Very high	80	Confident	8 Å²	8	46 Å²	46	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-53	-46.1	172.5	170.4	0	0	0	0	110.4	A926 S934 L951 L958 P959	A926-V930 WeakPolarHBondContact O-CG2 3.5Å; A926-V930 PolarHBondContact O-N 3.01Å; V930-S934 WeakPolarHBondContact O-CB 3.45Å; V930-S934 PolarHBondContact O-N 2.81Å; V930-S934 PolarHBondContact O-OG 3.12Å; V930-L951 HydrophobicContact CG2-CD1 3.76Å; V930-L958 HydrophobicContact CG1-CD2 4.23Å; V930-P959 HydrophobicContact CG1-CG 4.14Å
931	S	89.1	Confident	81.8	Confident	52 Å²	52	43 Å²	43	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-41.7	178.9	-172.8	0	0	0	0	113.2	E927 Q928 A929 S934 R935	E927-S931 WeakPolarHBondContact O-CB 3.48Å; E927-S931 PolarHBondContact O-N 2.86Å; Q928-S931 WeakPolarHBondContact O-CB 3.27Å; Q928-S931 PolarHBondContact O-N 3.41Å; A929-S931 VanDerWaalsContact C-N 3.27Å; A929-S931 PolarHBondContact O-N 3.41Å; S931-S934 WeakPolarHBondContact O-CB 3.39Å; S931-R935 WeakPolarHBondContact O-CG 3.36Å; S931-R935 PolarHBondContact O-N 3.29Å; S931-R935 VanDerWaalsContact O-N 3.1Å
932	M	89.2	Confident	83.4	Confident	17 Å²	17	39.1 Å²	39.1	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-71.2	-47.2	179.7	-61.4	-50.9	151.5	0	0	112.3	I893 L904 M907 Y911 Q928 A929 S934 R935 A936	I893-M932 HydrophobicContact CD1-CE 3.58Å; I893-M932 HydrophobicContact CD1-SD 3.77Å; L904-M932 HydrophobicContact CD2-SD 3.83Å; L904-M932 WeakPolarHBondContact O-CB 3.35Å; M907-M932 HydrophobicContact CB-CG 4.38Å; Y911-M932 HydrophobicContact CD2-CG 4.16Å; Y911-M932 HydrophobicContact CE2-CE 4.2Å; Y911-M932 HydrophobicContact CE2-CG 4.12Å; Q928-M932 WeakPolarHBondContact O-CG 3.49Å; Q928-M932 PolarHBondContact O-N 3.06Å; A929-M932 PolarHBondContact O-N 3.41Å; A929-M932 VanDerWaalsContact O-N 3.17Å; M932-S934 VanDerWaalsContact C-N 3.29Å; M932-S934 PolarHBondContact O-N 3.4Å; M932-R935 PolarHBondContact O-N 3.33Å; M932-R935 VanDerWaalsContact O-N 3.16Å; M932-A936 PolarHBondContact O-N 3.03Å
933	Y	91.1	Very high	84.7	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-34.4	175.2	-57.3	-49.5	0	0	0	112.1	L905 G908 D909 A929 R935 A936 A937 N947 L951	L905-Y933 HydrophobicContact CD2-CD1 4.15Å; L905-Y933 HydrophobicContact CD2-CE1 4.47Å; G908-Y933 VanDerWaalsContact C-CZ 3.45Å; G908-Y933 VanDerWaalsContact C-OH 3.28Å; G908-Y933 PolarHBondContact O-OH 3.06Å; D909-Y933 VanDerWaalsContact CA-OH 3.26Å; D909-Y933 WeakPolarHBondContact CA-OH 3.32Å; D909-Y933 PolarHBondContact N-OH 3.38Å; D909-Y933 VanDerWaalsContact N-OH 3.15Å; D909-Y933 VanDerWaalsContact OD1-CE1 3.31Å; D909-Y933 WeakPolarHBondContact OD1-CE1 3.49Å; D909-Y933 VanDerWaalsContact OD1-CZ 3.31Å; D909-Y933 PolarHBondContact OD1-OH 2.83Å; A929-Y933 HydrophobicContact CB-CD2 4.47Å; A929-Y933 HydrophobicContact CB-CE2 4.11Å; A929-Y933 WeakPolarHBondContact O-CD2 3.26Å; A929-Y933 PolarHBondContact O-N 3.46Å; Y933-R935 VanDerWaalsContact C-N 3.34Å; Y933-R935 PolarHBondContact O-N 3.32Å; Y933-A936 PolarHBondContact O-N 3.38Å; Y933-A937 VanDerWaalsContact O-CB 3.3Å; Y933-A937 WeakPolarHBondContact O-CB 3.17Å; Y933-A937 PolarHBondContact O-N 3.43Å; Y933-N947 HydrophobicContact CD1-CB 3.77Å; Y933-N947 HydrophobicContact CD2-CB 4.01Å; Y933-N947 HydrophobicContact CE1-CB 3.83Å; Y933-N947 WeakPolarHBondContact CE1-ND2 3.35Å; Y933-N947 HydrophobicContact CE2-CB 4.04Å; Y933-N947 HydrophobicContact CG-CB 3.84Å; Y933-L951 HydrophobicContact CD2-CD1 3.49Å; Y933-L951 VanDerWaalsContact CD2-CD1 3.49Å; Y933-L951 HydrophobicContact CE2-CD1 3.77Å
934	S	89.8	Confident	86.1	Confident	5 Å²	5	36 Å²	36	4%	0.035	20%	0.203	C	C	.	.	H	α-helix	trans	-57.5	-45.7	171.8	-69.5	0	0	0	0	111.9	V930 S931 M932 L938 P959	V930-S934 WeakPolarHBondContact O-CB 3.45Å; V930-S934 PolarHBondContact O-N 2.81Å; V930-S934 PolarHBondContact O-OG 3.12Å; S931-S934 WeakPolarHBondContact O-CB 3.39Å; M932-S934 VanDerWaalsContact C-N 3.29Å; M932-S934 PolarHBondContact O-N 3.4Å; S934-L938 WeakPolarHBondContact O-CB 3.33Å; S934-L938 VanDerWaalsContact O-CG 3.25Å; S934-L938 WeakPolarHBondContact O-CG 3.36Å; S934-L938 PolarHBondContact O-N 3.25Å; S934-P959 WeakPolarHBondContact OG-CD 3.32Å; S934-P959 WeakPolarHBondContact OG-CG 3.42Å
935	R	87.5	Confident	86.8	Confident	81 Å²	81	33.5 Å²	33.5	31%	0.306	19%	0.186	S	C	.	.	H	α-helix	trans	-66.5	-39	176.6	-69.1	169.2	68.7	-172.7	7.8	111.9	I893 H899 L904 S931 M932 Y933 A939	I893-R935 VanDerWaalsContact O-CZ 3.3Å; I893-R935 PolarHBondContact O-NH1 2.95Å; I893-R935 PolarHBondContact O-NH2 3.19Å; H899-R935 PolarHBondContact CE1-NH2 3.02Å; H899-R935 PolarHBondContact NE2-NH2 3.12Å; L904-R935 HydrophobicContact CD1-CB 3.75Å; L904-R935 HydrophobicContact CD2-CB 4.12Å; S931-R935 WeakPolarHBondContact O-CG 3.36Å; S931-R935 PolarHBondContact O-N 3.29Å; S931-R935 VanDerWaalsContact O-N 3.1Å; M932-R935 PolarHBondContact O-N 3.33Å; M932-R935 VanDerWaalsContact O-N 3.16Å; Y933-R935 VanDerWaalsContact C-N 3.34Å; Y933-R935 PolarHBondContact O-N 3.32Å; R935-A939 WeakPolarHBondContact O-CB 3.48Å; R935-A939 PolarHBondContact O-N 2.85Å
936	A	87.4	Confident	87.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-43.1	176.7	0	0	0	0	0	112	L904 L905 M932 Y933 A939 G940 S941	L904-A936 HydrophobicContact CB-CB 4Å; L904-A936 HydrophobicContact CD1-CB 4.31Å; L905-A936 HydrophobicContact CD2-CB 4.21Å; L905-A936 HydrophobicContact CG-CB 4.43Å; M932-A936 PolarHBondContact O-N 3.03Å; Y933-A936 PolarHBondContact O-N 3.38Å; A936-A939 CarbonylContact O-C 3.59Å; A936-A939 PolarHBondContact O-N 3.45Å; A936-G940 PolarHBondContact O-N 2.88Å; A936-S941 WeakPolarHBondContact O-CB 3.32Å; A936-S941 PolarHBondContact O-N 3.01Å
937	A	87.8	Confident	87.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-43.5	175.9	0	0	0	0	0	112	Y933 A939 G940 M945 L948 F966	Y933-A937 VanDerWaalsContact O-CB 3.3Å; Y933-A937 WeakPolarHBondContact O-CB 3.17Å; Y933-A937 PolarHBondContact O-N 3.43Å; A937-A939 PolarHBondContact O-N 3.3Å; A937-G940 PolarHBondContact O-N 2.94Å; A937-M945 HydrophobicContact CB-CG 3.79Å; A937-M945 VanDerWaalsContact O-CE 3.3Å; A937-M945 WeakPolarHBondContact O-CE 3.48Å; A937-L948 HydrophobicContact CB-CD2 4.4Å; A937-F966 HydrophobicContact CB-CE2 4.4Å; A937-F966 HydrophobicContact CB-CZ 4.31Å
938	L	86.5	Confident	88.2	Confident	68 Å²	68	29.9 Å²	29.9	36%	0.356	17%	0.168	S	C	.	.	H	α-helix	trans	-65	-26.2	173.9	-71.6	173.4	0	0	0	113.1	S934 V962 F965	S934-L938 WeakPolarHBondContact O-CB 3.33Å; S934-L938 VanDerWaalsContact O-CG 3.25Å; S934-L938 WeakPolarHBondContact O-CG 3.36Å; S934-L938 PolarHBondContact O-N 3.25Å; L938-V962 HydrophobicContact CD1-CG2 4.08Å; L938-V962 HydrophobicContact CG-CG2 4.32Å; L938-F965 HydrophobicContact CD2-CB 3.59Å; L938-F965 HydrophobicContact CD2-CD1 3.87Å; L938-F965 HydrophobicContact CD2-CD2 3.71Å; L938-F965 HydrophobicContact CD2-CE1 4.44Å; L938-F965 HydrophobicContact CD2-CE2 4.3Å; L938-F965 HydrophobicContact CD2-CG 3.46Å; L938-F965 VanDerWaalsContact CD2-CG 3.46Å
939	A	80.3	Confident	88.4	Confident	65 Å²	65	26.8 Å²	26.8	54%	0.537	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.8	170.9	0	0	0	0	0	113.6	R935 A936 A937	R935-A939 WeakPolarHBondContact O-CB 3.48Å; R935-A939 PolarHBondContact O-N 2.85Å; A936-A939 CarbonylContact O-C 3.59Å; A936-A939 PolarHBondContact O-N 3.45Å; A937-A939 PolarHBondContact O-N 3.3Å
940	G	83	Confident	88.4	Confident	30 Å²	30	28.6 Å²	28.6	31%	0.309	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	12.3	176.7	0	0	0	0	0	115.6	A936 A937 P942	A936-G940 PolarHBondContact O-N 2.88Å; A937-G940 PolarHBondContact O-N 2.94Å; G940-P942 WeakPolarHBondContact O-CD 3.47Å
941	S	85.6	Confident	88.3	Confident	8 Å²	8	28.3 Å²	28.3	6%	0.056	16%	0.163	C	C	.	.			trans	-74.4	120.7	-179.8	179.4	0	0	0	0	112.7	A936 G944 M945	A936-S941 WeakPolarHBondContact O-CB 3.32Å; A936-S941 PolarHBondContact O-N 3.01Å; S941-G944 WeakPolarHBondContact O-CA 3.41Å; S941-G944 PolarHBondContact O-N 3.38Å; S941-G944 VanDerWaalsContact O-N 3.13Å; S941-G944 PolarHBondContact OG-N 2.99Å; S941-M945 WeakPolarHBondContact O-CG 3.41Å; S941-M945 PolarHBondContact O-N 3.14Å
942	P	87.2	Confident	88.3	Confident	32 Å²	32	26.1 Å²	26.1	21%	0.208	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-48.3	175.8	-25.5	36.3	0	0	0	112.7	G940 G944 M945 F946 C985 I988 E989	G940-P942 WeakPolarHBondContact O-CD 3.47Å; P942-G944 PolarHBondContact O-N 3.48Å; P942-M945 WeakPolarHBondContact O-CA 3.48Å; P942-M945 WeakPolarHBondContact O-CB 3.13Å; P942-M945 PolarHBondContact O-N 2.62Å; P942-F946 PolarHBondContact O-N 2.99Å; P942-C985 VanDerWaalsContact CA-SG 3.57Å; P942-C985 PolarHBondContact O-SG 2.99Å; P942-I988 HydrophobicContact CG-CB 4.34Å; P942-I988 HydrophobicContact CG-CG2 3.81Å; P942-E989 HydrophobicContact CB-CG 3.58Å; P942-E989 WeakPolarHBondContact CB-OE1 3.42Å; P942-E989 HydrophobicContact CG-CG 3.82Å
943	Q	86.5	Confident	88.3	Confident	101 Å²	101	31.7 Å²	31.7	47%	0.472	17%	0.174	S	C	.	.	H	α-helix	trans	-58.4	-33.6	174.9	-170.8	179.9	-7.3	0	0	112.4	L905 N947	L905-Q943 HydrophobicContact CD1-CB 4.05Å; L905-Q943 HydrophobicContact CD1-CG 4.22Å; L905-Q943 HydrophobicContact CD2-CB 4.16Å; L905-Q943 HydrophobicContact CD2-CG 4.04Å; Q943-N947 WeakPolarHBondContact O-CB 3.2Å; Q943-N947 PolarHBondContact O-N 3.36Å
944	G	88.9	Confident	88	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-42.8	173.5	0	0	0	0	0	112.5	S941 P942 L948	S941-G944 WeakPolarHBondContact O-CA 3.41Å; S941-G944 PolarHBondContact O-N 3.38Å; S941-G944 VanDerWaalsContact O-N 3.13Å; S941-G944 PolarHBondContact OG-N 2.99Å; P942-G944 PolarHBondContact O-N 3.48Å; G944-L948 VanDerWaalsContact O-CB 3.31Å; G944-L948 WeakPolarHBondContact O-CB 3.31Å; G944-L948 PolarHBondContact O-N 2.97Å
945	M	90.6	Very high	87.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-43.5	174.8	-63.4	-176.7	-166.7	0	0	111.7	A937 S941 P942 L948 A949 F966 I981 R984 C985 I988	A937-M945 HydrophobicContact CB-CG 3.79Å; A937-M945 VanDerWaalsContact O-CE 3.3Å; A937-M945 WeakPolarHBondContact O-CE 3.48Å; S941-M945 WeakPolarHBondContact O-CG 3.41Å; S941-M945 PolarHBondContact O-N 3.14Å; P942-M945 WeakPolarHBondContact O-CA 3.48Å; P942-M945 WeakPolarHBondContact O-CB 3.13Å; P942-M945 PolarHBondContact O-N 2.62Å; M945-L948 WeakPolarHBondContact O-CB 3.42Å; M945-L948 PolarHBondContact O-N 2.85Å; M945-A949 PolarHBondContact O-N 2.92Å; M945-F966 HydrophobicContact CE-CE1 4.12Å; M945-F966 HydrophobicContact CE-CZ 4.01Å; M945-F966 HydrophobicContact CG-CE1 4.38Å; M945-F966 HydrophobicContact CG-CZ 3.86Å; M945-F966 HydrophobicContact SD-CE1 3.84Å; M945-F966 HydrophobicContact SD-CZ 3.89Å; M945-I981 HydrophobicContact CB-CG2 3.84Å; M945-I981 VanDerWaalsContact O-CG2 3.3Å; M945-I981 WeakPolarHBondContact O-CG2 3.47Å; M945-R984 HydrophobicContact SD-CG 4.35Å; M945-C985 HydrophobicContact CB-CB 3.84Å; M945-C985 HydrophobicContact SD-CB 4.08Å; M945-I988 HydrophobicContact CE-CD1 3.64Å; M945-I988 HydrophobicContact SD-CD1 4.18Å
946	F	91.5	Very high	87.8	Confident	58 Å²	58	39.7 Å²	39.7	25%	0.254	23%	0.226	S	C	.	.	H	α-helix	trans	-57.5	-53.7	174.9	-176.6	-100	0	0	0	111.9	P942 L948 A949 V950 L982 P996 A1000	P942-F946 PolarHBondContact O-N 2.99Å; F946-L948 VanDerWaalsContact C-N 3.25Å; F946-L948 PolarHBondContact O-N 3.45Å; F946-A949 WeakPolarHBondContact O-CB 3.5Å; F946-A949 PolarHBondContact O-N 3.42Å; F946-A949 VanDerWaalsContact O-N 3.1Å; F946-V950 HydrophobicContact CD1-CG2 4.31Å; F946-V950 HydrophobicContact CE1-CG2 3.94Å; F946-V950 HydrophobicContact CZ-CG2 4.15Å; F946-V950 WeakPolarHBondContact O-CG2 3.19Å; F946-V950 PolarHBondContact O-N 3.15Å; F946-L982 HydrophobicContact CD2-CD2 4.38Å; F946-P996 HydrophobicContact CD2-CB 3.88Å; F946-P996 HydrophobicContact CE2-CB 3.72Å; F946-P996 WeakPolarHBondContact CE2-O 3.45Å; F946-P996 HydrophobicContact CG-CB 4.35Å; F946-P996 HydrophobicContact CZ-CB 4.06Å; F946-A1000 HydrophobicContact CE2-CB 3.96Å
947	N	92	Very high	87.6	Confident	27 Å²	27	46 Å²	46	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-35.3	179.7	-75.1	-3.2	0	0	0	111.8	D909 Y933 Q943 V950 L951	D909-N947 PolarHBondContact OD1-ND2 3.37Å; Y933-N947 HydrophobicContact CD1-CB 3.77Å; Y933-N947 HydrophobicContact CD2-CB 4.01Å; Y933-N947 HydrophobicContact CE1-CB 3.83Å; Y933-N947 WeakPolarHBondContact CE1-ND2 3.35Å; Y933-N947 HydrophobicContact CE2-CB 4.04Å; Y933-N947 HydrophobicContact CG-CB 3.84Å; Q943-N947 WeakPolarHBondContact O-CB 3.2Å; Q943-N947 PolarHBondContact O-N 3.36Å; N947-V950 PolarHBondContact O-N 3.17Å; N947-L951 WeakPolarHBondContact O-CG 3.38Å; N947-L951 PolarHBondContact O-N 3.36Å; N947-L951 VanDerWaalsContact O-N 3.08Å
948	L	91.2	Very high	87.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-41.8	174.2	-163.4	78.6	0	0	0	112.3	A937 G944 M945 F946 L951 A952 L958 V962 F966 I981	A937-L948 HydrophobicContact CB-CD2 4.4Å; G944-L948 VanDerWaalsContact O-CB 3.31Å; G944-L948 WeakPolarHBondContact O-CB 3.31Å; G944-L948 PolarHBondContact O-N 2.97Å; M945-L948 WeakPolarHBondContact O-CB 3.42Å; M945-L948 PolarHBondContact O-N 2.85Å; F946-L948 VanDerWaalsContact C-N 3.25Å; F946-L948 PolarHBondContact O-N 3.45Å; L948-L951 PolarHBondContact O-N 3.35Å; L948-A952 PolarHBondContact O-N 3.4Å; L948-L958 HydrophobicContact CD1-CD2 3.71Å; L948-L958 HydrophobicContact CD2-CD1 4.09Å; L948-L958 HydrophobicContact CG-CD1 4.04Å; L948-L958 HydrophobicContact CG-CD2 3.91Å; L948-V962 HydrophobicContact CD2-CG1 3.51Å; L948-F966 HydrophobicContact CD2-CE2 4.33Å; L948-I981 HydrophobicContact CD2-CD1 4.06Å
949	A	90.7	Very high	87.6	Confident	5 Å²	5	45.6 Å²	45.6	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-41.4	175.4	0	0	0	0	0	111.7	M945 F946 L951 A952 Q953 M978 I981 L982	M945-A949 PolarHBondContact O-N 2.92Å; F946-A949 WeakPolarHBondContact O-CB 3.5Å; F946-A949 PolarHBondContact O-N 3.42Å; F946-A949 VanDerWaalsContact O-N 3.1Å; A949-L951 VanDerWaalsContact C-N 3.29Å; A949-L951 PolarHBondContact O-N 3.18Å; A949-A952 WeakPolarHBondContact O-CB 3.4Å; A949-A952 PolarHBondContact O-N 2.91Å; A949-Q953 PolarHBondContact O-N 3.19Å; A949-M978 HydrophobicContact CB-CG 4.49Å; A949-I981 HydrophobicContact CB-CG2 4.28Å; A949-L982 HydrophobicContact CB-CD1 4.38Å; A949-L982 HydrophobicContact CB-CD2 3.95Å; A949-L982 HydrophobicContact CB-CG 3.97Å
950	V	89.9	Confident	87.8	Confident	38 Å²	38	49.5 Å²	49.5	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-36.8	173.8	173.4	0	0	0	0	111.9	F946 N947 K954	F946-V950 HydrophobicContact CD1-CG2 4.31Å; F946-V950 HydrophobicContact CE1-CG2 3.94Å; F946-V950 HydrophobicContact CZ-CG2 4.15Å; F946-V950 WeakPolarHBondContact O-CG2 3.19Å; F946-V950 PolarHBondContact O-N 3.15Å; N947-V950 PolarHBondContact O-N 3.17Å; V950-K954 WeakPolarHBondContact O-CG 3.37Å; V950-K954 PolarHBondContact O-N 2.99Å
951	L	89.5	Confident	87.8	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-72.9	-37.5	174.7	-70.3	175.8	0	0	0	112.7	Y912 V930 Y933 N947 L948 A949 Q953 K954 G955 Y956	Y912-L951 HydrophobicContact CD2-CD2 3.84Å; Y912-L951 HydrophobicContact CE2-CD2 3.8Å; V930-L951 HydrophobicContact CG2-CD1 3.76Å; Y933-L951 HydrophobicContact CD2-CD1 3.49Å; Y933-L951 VanDerWaalsContact CD2-CD1 3.49Å; Y933-L951 HydrophobicContact CE2-CD1 3.77Å; N947-L951 WeakPolarHBondContact O-CG 3.38Å; N947-L951 PolarHBondContact O-N 3.36Å; N947-L951 VanDerWaalsContact O-N 3.08Å; L948-L951 PolarHBondContact O-N 3.35Å; A949-L951 VanDerWaalsContact C-N 3.29Å; A949-L951 PolarHBondContact O-N 3.18Å; L951-Q953 VanDerWaalsContact C-N 3.34Å; L951-K954 PolarHBondContact O-N 3.47Å; L951-G955 PolarHBondContact O-N 2.88Å; L951-Y956 HydrophobicContact CB-CD2 4.09Å; L951-Y956 HydrophobicContact CD2-CD2 3.57Å; L951-Y956 HydrophobicContact CD2-CE2 3.76Å; L951-Y956 HydrophobicContact CD2-CG 4.44Å; L951-Y956 HydrophobicContact CG-CD2 4.42Å; L951-Y956 WeakPolarHBondContact O-CB 3.37Å; L951-Y956 WeakPolarHBondContact O-CD2 3.42Å; L951-Y956 PolarHBondContact O-N 2.97Å; L951-Y956 VanDerWaalsContact O-N 3.11Å
952	A	88.7	Confident	87.8	Confident	6 Å²	6	51.2 Å²	51.2	5%	0.05	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-44.6	172.3	0	0	0	0	0	111.2	L948 A949 K954 G955 L958 V974 M978	L948-A952 PolarHBondContact O-N 3.4Å; A949-A952 WeakPolarHBondContact O-CB 3.4Å; A949-A952 PolarHBondContact O-N 2.91Å; A952-K954 PolarHBondContact O-N 2.98Å; A952-G955 PolarHBondContact O-N 3.46Å; A952-L958 HydrophobicContact CB-CD1 4.18Å; A952-V974 VanDerWaalsContact O-CG1 3.23Å; A952-V974 WeakPolarHBondContact O-CG1 3.42Å; A952-M978 HydrophobicContact CB-CG 4.01Å
953	Q	88.4	Confident	87.8	Confident	135 Å²	135	51.8 Å²	51.8	63%	0.631	27%	0.274	S	S	*	.	H	α-helix	trans	-55.8	-36.4	175	-159.3	-175.7	25.1	0	0	112.5	A949 L951 G955 M978	A949-Q953 PolarHBondContact O-N 3.19Å; L951-Q953 VanDerWaalsContact C-N 3.34Å; Q953-G955 PolarHBondContact O-N 3.03Å; Q953-M978 HydrophobicContact CB-CE 4.49Å; Q953-M978 HydrophobicContact CB-SD 3.46Å; Q953-M978 WeakPolarHBondContact CB-SD 3.28Å; Q953-M978 HydrophobicContact CG-CE 4.26Å; Q953-M978 HydrophobicContact CG-SD 3.78Å
954	K	86.1	Confident	87.9	Confident	117 Å²	117	51.3 Å²	51.3	51%	0.509	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	2.5	177.7	-69.5	-179.2	-179.7	-165.4	0	114	Y912 V950 L951 A952 Y956	Y912-K954 PolarHBondContact OH-NZ 3.23Å; V950-K954 WeakPolarHBondContact O-CG 3.37Å; V950-K954 PolarHBondContact O-N 2.99Å; L951-K954 PolarHBondContact O-N 3.47Å; A952-K954 PolarHBondContact O-N 2.98Å; K954-Y956 HydrophobicContact CB-CD2 3.85Å; K954-Y956 HydrophobicContact CB-CE2 3.87Å
955	G	84.8	Confident	87.7	Confident	60 Å²	60	56 Å²	56	62%	0.619	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	15.8	177.1	0	0	0	0	0	114.9	L951 A952 Q953	L951-G955 PolarHBondContact O-N 2.88Å; A952-G955 PolarHBondContact O-N 3.46Å; Q953-G955 PolarHBondContact O-N 3.03Å
956	Y	86.5	Confident	87.6	Confident	80 Å²	80	56.6 Å²	56.6	31%	0.314	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-73.9	138.4	173.6	-68.7	-74.9	0	0	0	111.3	A926 L951 K954 L958	A926-Y956 HydrophobicContact CB-CD1 4.05Å; A926-Y956 HydrophobicContact CB-CE1 3.38Å; L951-Y956 HydrophobicContact CB-CD2 4.09Å; L951-Y956 HydrophobicContact CD2-CD2 3.57Å; L951-Y956 HydrophobicContact CD2-CE2 3.76Å; L951-Y956 HydrophobicContact CD2-CG 4.44Å; L951-Y956 HydrophobicContact CG-CD2 4.42Å; L951-Y956 WeakPolarHBondContact O-CB 3.37Å; L951-Y956 WeakPolarHBondContact O-CD2 3.42Å; L951-Y956 PolarHBondContact O-N 2.97Å; L951-Y956 VanDerWaalsContact O-N 3.11Å; K954-Y956 HydrophobicContact CB-CD2 3.85Å; K954-Y956 HydrophobicContact CB-CE2 3.87Å; Y956-L958 PolarHBondContact O-N 3.5Å
957	V	84.3	Confident	87.4	Confident	134 Å²	134	60.2 Å²	60.2	81%	0.812	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-78.7	119.8	-178.8	-178.6	0	0	0	0	110
958	L	86.8	Confident	87.1	Confident	15 Å²	15	59.7 Å²	59.7	8%	0.079	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-81	148.1	179.2	-57.5	-171.9	0	0	0	112.3	V930 L948 A952 Y956 L963 V977 I981	V930-L958 HydrophobicContact CG1-CD2 4.23Å; L948-L958 HydrophobicContact CD1-CD2 3.71Å; L948-L958 HydrophobicContact CD2-CD1 4.09Å; L948-L958 HydrophobicContact CG-CD1 4.04Å; L948-L958 HydrophobicContact CG-CD2 3.91Å; A952-L958 HydrophobicContact CB-CD1 4.18Å; Y956-L958 PolarHBondContact O-N 3.5Å; L958-L963 HydrophobicContact CB-CD2 3.97Å; L958-L963 HydrophobicContact CB-CG 4.17Å; L958-L963 HydrophobicContact CD1-CD2 4.1Å; L958-V977 HydrophobicContact CD1-CG1 4.09Å; L958-I981 HydrophobicContact CD1-CD1 3.86Å
959	P	86.9	Confident	86.7	Confident	44 Å²	44	63.2 Å²	63.2	29%	0.286	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-65.8	142.3	177.1	-18.6	32.5	0	0	0	111.6	V930 S934 S961 V962 L963	V930-P959 HydrophobicContact CG1-CG 4.14Å; S934-P959 WeakPolarHBondContact OG-CD 3.32Å; S934-P959 WeakPolarHBondContact OG-CG 3.42Å; P959-S961 VanDerWaalsContact C-N 3.29Å; P959-S961 PolarHBondContact O-N 3.44Å; P959-V962 HydrophobicContact CB-CG2 4.14Å; P959-V962 HydrophobicContact CG-CG2 4.27Å; P959-V962 WeakPolarHBondContact O-CB 3.31Å; P959-V962 PolarHBondContact O-N 3.07Å; P959-L963 PolarHBondContact O-N 3.08Å
960	R	84.1	Confident	85.7	Confident	146 Å²	146	73.5 Å²	73.5	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-61.2	-35	-174.8	-168.6	175.3	179.4	179.9	-0.9	113.9	V962 L963 D964 R970	R960-V962 PolarHBondContact O-N 3.09Å; R960-L963 PolarHBondContact O-N 3.08Å; R960-D964 IonicContact NE-OD1 3.85Å; R960-D964 IonicContact NE-OD2 3.95Å; R960-D964 WeakPolarHBondContact O-CB 3.31Å; R960-D964 PolarHBondContact O-N 3.29Å; R960-R970 VanDerWaalsContact NH1-NH2 3.16Å
961	S	84.7	Confident	84.7	Confident	74 Å²	74	75.2 Å²	75.2	52%	0.517	41%	0.406	S	S	.	.	H	α-helix	trans	-57.6	-29.9	174.5	47	0	0	0	0	113.4	P959 F965	P959-S961 VanDerWaalsContact C-N 3.29Å; P959-S961 PolarHBondContact O-N 3.44Å; S961-F965 WeakPolarHBondContact O-CB 3.25Å; S961-F965 PolarHBondContact O-N 3.15Å
962	V	85.1	Confident	84.2	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.006	42%	0.418	C	S	.	.	H	α-helix	trans	-83.4	-42.5	179.6	-169.8	0	0	0	0	110.5	L938 L948 P959 R960 D964 F965 F966	L938-V962 HydrophobicContact CD1-CG2 4.08Å; L938-V962 HydrophobicContact CG-CG2 4.32Å; L948-V962 HydrophobicContact CD2-CG1 3.51Å; P959-V962 HydrophobicContact CB-CG2 4.14Å; P959-V962 HydrophobicContact CG-CG2 4.27Å; P959-V962 WeakPolarHBondContact O-CB 3.31Å; P959-V962 PolarHBondContact O-N 3.07Å; R960-V962 PolarHBondContact O-N 3.09Å; V962-D964 VanDerWaalsContact C-N 3.32Å; V962-D964 PolarHBondContact O-N 2.92Å; V962-F965 WeakPolarHBondContact O-CB 3.43Å; V962-F965 PolarHBondContact O-N 2.99Å; V962-F965 VanDerWaalsContact O-N 3.17Å; V962-F966 HydrophobicContact CG1-CD2 3.78Å; V962-F966 HydrophobicContact CG1-CE2 3.61Å; V962-F966 VanDerWaalsContact O-CD2 3.25Å; V962-F966 WeakPolarHBondContact O-CD2 3.48Å; V962-F966 PolarHBondContact O-N 3.15Å
963	L	87.8	Confident	83.9	Confident	43 Å²	43	79.5 Å²	79.5	23%	0.225	44%	0.439	C	S	.	.	H	α-helix	trans	-58.8	-44.1	172.6	-63.5	177.9	0	0	0	111.5	L958 P959 R960 F965 F966 N967 V968 V977	L958-L963 HydrophobicContact CB-CD2 3.97Å; L958-L963 HydrophobicContact CB-CG 4.17Å; L958-L963 HydrophobicContact CD1-CD2 4.1Å; P959-L963 PolarHBondContact O-N 3.08Å; R960-L963 PolarHBondContact O-N 3.08Å; L963-F965 VanDerWaalsContact C-N 3.34Å; L963-F965 PolarHBondContact O-N 3.17Å; L963-F966 PolarHBondContact O-N 2.88Å; L963-N967 PolarHBondContact O-N 3.4Å; L963-V968 HydrophobicContact CB-CB 4.09Å; L963-V968 HydrophobicContact CD2-CB 4.05Å; L963-V968 HydrophobicContact CD2-CG1 3.99Å; L963-V968 HydrophobicContact CD2-CG2 4.18Å; L963-V968 WeakPolarHBondContact O-CB 3.41Å; L963-V968 PolarHBondContact O-N 3.23Å; L963-V977 HydrophobicContact CD2-CG1 3.91Å
964	D	86.8	Confident	83.7	Confident	91 Å²	91	76.9 Å²	76.9	49%	0.487	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-36.5	176.3	-64.4	-22.6	0	0	0	111	R960 V962 N967	R960-D964 IonicContact NE-OD1 3.85Å; R960-D964 IonicContact NE-OD2 3.95Å; R960-D964 WeakPolarHBondContact O-CB 3.31Å; R960-D964 PolarHBondContact O-N 3.29Å; V962-D964 VanDerWaalsContact C-N 3.32Å; V962-D964 PolarHBondContact O-N 2.92Å; D964-N967 PolarHBondContact O-N 3.46Å
965	F	85.9	Confident	83.6	Confident	100 Å²	100	78 Å²	78	44%	0.439	44%	0.439	S	S	.	.	H	α-helix	trans	-66.5	-38.9	176.4	179.7	-95.1	0	0	0	113.4	L938 S961 V962 L963 N967	L938-F965 HydrophobicContact CD2-CB 3.59Å; L938-F965 HydrophobicContact CD2-CD1 3.87Å; L938-F965 HydrophobicContact CD2-CD2 3.71Å; L938-F965 HydrophobicContact CD2-CE1 4.44Å; L938-F965 HydrophobicContact CD2-CE2 4.3Å; L938-F965 HydrophobicContact CD2-CG 3.46Å; L938-F965 VanDerWaalsContact CD2-CG 3.46Å; S961-F965 WeakPolarHBondContact O-CB 3.25Å; S961-F965 PolarHBondContact O-N 3.15Å; V962-F965 WeakPolarHBondContact O-CB 3.43Å; V962-F965 PolarHBondContact O-N 2.99Å; V962-F965 VanDerWaalsContact O-N 3.17Å; L963-F965 VanDerWaalsContact C-N 3.34Å; L963-F965 PolarHBondContact O-N 3.17Å; F965-N967 VanDerWaalsContact C-N 3.3Å; F965-N967 PolarHBondContact O-N 3.09Å
966	F	87.8	Confident	83.7	Confident	13 Å²	13	76.5 Å²	76.5	6%	0.057	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	15.7	176.4	-65.5	-71.1	0	0	0	113.7	A937 M945 L948 V962 L963 V968 I981 R984	A937-F966 HydrophobicContact CB-CE2 4.4Å; A937-F966 HydrophobicContact CB-CZ 4.31Å; M945-F966 HydrophobicContact CE-CE1 4.12Å; M945-F966 HydrophobicContact CE-CZ 4.01Å; M945-F966 HydrophobicContact CG-CE1 4.38Å; M945-F966 HydrophobicContact CG-CZ 3.86Å; M945-F966 HydrophobicContact SD-CE1 3.84Å; M945-F966 HydrophobicContact SD-CZ 3.89Å; L948-F966 HydrophobicContact CD2-CE2 4.33Å; V962-F966 HydrophobicContact CG1-CD2 3.78Å; V962-F966 HydrophobicContact CG1-CE2 3.61Å; V962-F966 VanDerWaalsContact O-CD2 3.25Å; V962-F966 WeakPolarHBondContact O-CD2 3.48Å; V962-F966 PolarHBondContact O-N 3.15Å; L963-F966 PolarHBondContact O-N 2.88Å; F966-V968 VanDerWaalsContact C-N 3.26Å; F966-V968 HydrophobicContact CB-CG2 4.04Å; F966-V968 PolarHBondContact O-N 3.5Å; F966-I981 HydrophobicContact CB-CG1 4.35Å; F966-I981 HydrophobicContact CD1-CG1 4.39Å; F966-I981 HydrophobicContact CD2-CG1 3.82Å; F966-I981 HydrophobicContact CE2-CG1 4.2Å; F966-I981 HydrophobicContact CG-CG1 3.94Å; F966-R984 HydrophobicContact CD1-CB 3.99Å; F966-R984 HydrophobicContact CD1-CG 4.14Å; F966-R984 HydrophobicContact CE1-CB 3.88Å; F966-R984 HydrophobicContact CE1-CG 3.81Å
967	N	87.8	Confident	83.7	Confident	133 Å²	133	73.5 Å²	73.5	71%	0.711	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	38.1	-179.4	-64.8	-52.5	0	0	0	114.1	L963 D964 F965 K980	L963-N967 PolarHBondContact O-N 3.4Å; D964-N967 PolarHBondContact O-N 3.46Å; F965-N967 VanDerWaalsContact C-N 3.3Å; F965-N967 PolarHBondContact O-N 3.09Å; N967-K980 PolarHBondContact O-NZ 3.32Å
968	V	85.8	Confident	84	Confident	17 Å²	17	68 Å²	68	10%	0.103	38%	0.376	C	S	.	.			trans	-84	126	178.4	-176.4	0	0	0	0	110.1	L963 F966 D972 V977 K980	L963-V968 HydrophobicContact CB-CB 4.09Å; L963-V968 HydrophobicContact CD2-CB 4.05Å; L963-V968 HydrophobicContact CD2-CG1 3.99Å; L963-V968 HydrophobicContact CD2-CG2 4.18Å; L963-V968 WeakPolarHBondContact O-CB 3.41Å; L963-V968 PolarHBondContact O-N 3.23Å; F966-V968 VanDerWaalsContact C-N 3.26Å; F966-V968 HydrophobicContact CB-CG2 4.04Å; F966-V968 PolarHBondContact O-N 3.5Å; V968-D972 HydrophobicContact CG1-CB 3.97Å; V968-V977 HydrophobicContact CG1-CB 4.35Å; V968-V977 HydrophobicContact CG1-CG1 4.28Å; V968-V977 HydrophobicContact CG1-CG2 3.62Å; V968-V977 HydrophobicContact CG2-CG1 4.23Å; V968-K980 HydrophobicContact CG2-CB 4.45Å; V968-K980 HydrophobicContact CG2-CD 4.02Å
969	S	82.6	Confident	84.1	Confident	74 Å²	74	70.8 Å²	70.8	52%	0.517	39%	0.389	S	S	.	.			trans	-89.2	153.6	179	-73.6	0	0	0	0	112	G971 D972	S969-G971 PolarHBondContact O-N 2.86Å; S969-D972 WeakPolarHBondContact CB-OD1 3.36Å; S969-D972 PolarHBondContact N-OD2 3.23Å; S969-D972 WeakPolarHBondContact O-CB 3.26Å; S969-D972 PolarHBondContact O-N 3.49Å
970	R	68.6	Low	84.3	Confident	221 Å²	221	71.9 Å²	71.9	83%	0.834	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.6	180	-79	-177.7	167.9	-165.6	-5.8	115.7	R960	R960-R970 VanDerWaalsContact NH1-NH2 3.16Å
971	G	69.5	Low	84.6	Confident	74 Å²	74	65 Å²	65	76%	0.763	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	0.5	176	0	0	0	0	0	114	S969	S969-G971 PolarHBondContact O-N 2.86Å
972	D	79.7	Confident	84.8	Confident	51 Å²	51	61.8 Å²	61.8	27%	0.273	34%	0.34	S	S	.	.			trans	-72.7	130.1	-178.4	-65.8	-5.4	0	0	0	110	V968 S969 A976 V977 K980	V968-D972 HydrophobicContact CG1-CB 3.97Å; S969-D972 WeakPolarHBondContact CB-OD1 3.36Å; S969-D972 PolarHBondContact N-OD2 3.23Å; S969-D972 WeakPolarHBondContact O-CB 3.26Å; S969-D972 PolarHBondContact O-N 3.49Å; D972-A976 HydrophobicContact CB-CB 4.13Å; D972-V977 HydrophobicContact CB-CG2 4.28Å; D972-K980 IonicContact OD2-NZ 2.69Å; D972-K980 PolarHBondContact OD2-NZ 2.84Å
973	G	82.3	Confident	85	Confident	47 Å²	47	64.4 Å²	64.4	49%	0.485	35%	0.354	S	S	.	.			trans	-71.8	162.8	171.3	0	0	0	0	0	111.8	E975 A976 V977	G973-E975 PolarHBondContact O-N 3.14Å; G973-E975 VanDerWaalsContact O-N 3.14Å; G973-A976 PolarHBondContact O-N 3.33Å; G973-V977 WeakPolarHBondContact O-CG2 3.42Å; G973-V977 PolarHBondContact O-N 3.01Å; G973-V977 VanDerWaalsContact O-N 3.07Å
974	V	84.1	Confident	85.1	Confident	79 Å²	79	68 Å²	68	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-53.7	-38.6	-174.9	-174.9	0	0	0	0	112.3	A952 V977 M978	A952-V974 VanDerWaalsContact O-CG1 3.23Å; A952-V974 WeakPolarHBondContact O-CG1 3.42Å; V974-V977 WeakPolarHBondContact O-CB 3.47Å; V974-V977 PolarHBondContact O-N 2.66Å; V974-M978 HydrophobicContact CG1-CE 4.12Å; V974-M978 HydrophobicContact CG1-SD 4.41Å; V974-M978 WeakPolarHBondContact O-CG 3.26Å; V974-M978 PolarHBondContact O-N 2.91Å
975	E	84.3	Confident	85.2	Confident	141 Å²	141	63.7 Å²	63.7	66%	0.659	34%	0.342	S	S	*	.	H	α-helix	trans	-59.8	-48.4	174.9	-72.7	157.2	-170.5	0	0	112.6	G973 V977 M978 E979	G973-E975 PolarHBondContact O-N 3.14Å; G973-E975 VanDerWaalsContact O-N 3.14Å; E975-V977 VanDerWaalsContact C-N 3.28Å; E975-V977 PolarHBondContact O-N 3.37Å; E975-M978 HydrophobicContact CG-CE 4.16Å; E975-M978 PolarHBondContact O-N 2.9Å; E975-M978 VanDerWaalsContact O-N 3.17Å; E975-E979 WeakPolarHBondContact O-CB 3.49Å; E975-E979 PolarHBondContact O-N 2.96Å
976	A	86.3	Confident	85.2	Confident	29 Å²	29	60.2 Å²	60.2	24%	0.24	33%	0.331	C	S	.	.	H	α-helix	trans	-66.8	-27.7	177.2	0	0	0	0	0	113	D972 G973 K980	D972-A976 HydrophobicContact CB-CB 4.13Å; G973-A976 PolarHBondContact O-N 3.33Å; A976-K980 VanDerWaalsContact O-CG 3.31Å; A976-K980 WeakPolarHBondContact O-CG 3.07Å; A976-K980 PolarHBondContact O-N 2.89Å
977	V	87.3	Confident	85	Confident	17 Å²	17	65.9 Å²	65.9	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-68	-48.3	170.4	-175.2	0	0	0	0	110.5	L958 L963 V968 D972 G973 V974 E975 I981	L958-V977 HydrophobicContact CD1-CG1 4.09Å; L963-V977 HydrophobicContact CD2-CG1 3.91Å; V968-V977 HydrophobicContact CG1-CB 4.35Å; V968-V977 HydrophobicContact CG1-CG1 4.28Å; V968-V977 HydrophobicContact CG1-CG2 3.62Å; V968-V977 HydrophobicContact CG2-CG1 4.23Å; D972-V977 HydrophobicContact CB-CG2 4.28Å; G973-V977 WeakPolarHBondContact O-CG2 3.42Å; G973-V977 PolarHBondContact O-N 3.01Å; G973-V977 VanDerWaalsContact O-N 3.07Å; V974-V977 WeakPolarHBondContact O-CB 3.47Å; V974-V977 PolarHBondContact O-N 2.66Å; E975-V977 VanDerWaalsContact C-N 3.28Å; E975-V977 PolarHBondContact O-N 3.37Å; V977-I981 HydrophobicContact CG1-CD1 3.94Å; V977-I981 WeakPolarHBondContact O-CD1 3.2Å; V977-I981 WeakPolarHBondContact O-CG1 3.43Å; V977-I981 PolarHBondContact O-N 3.33Å
978	M	89.4	Confident	84.7	Confident	17 Å²	17	63.1 Å²	63.1	8%	0.084	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-44.4	178.6	-70.9	-175.4	-61.3	0	0	111.8	A949 A952 Q953 V974 E975 K980 I981 L982 L1004	A949-M978 HydrophobicContact CB-CG 4.49Å; A952-M978 HydrophobicContact CB-CG 4.01Å; Q953-M978 HydrophobicContact CB-CE 4.49Å; Q953-M978 HydrophobicContact CB-SD 3.46Å; Q953-M978 WeakPolarHBondContact CB-SD 3.28Å; Q953-M978 HydrophobicContact CG-CE 4.26Å; Q953-M978 HydrophobicContact CG-SD 3.78Å; V974-M978 HydrophobicContact CG1-CE 4.12Å; V974-M978 HydrophobicContact CG1-SD 4.41Å; V974-M978 WeakPolarHBondContact O-CG 3.26Å; V974-M978 PolarHBondContact O-N 2.91Å; E975-M978 HydrophobicContact CG-CE 4.16Å; E975-M978 PolarHBondContact O-N 2.9Å; E975-M978 VanDerWaalsContact O-N 3.17Å; M978-K980 PolarHBondContact O-N 3.29Å; M978-I981 PolarHBondContact O-N 3.03Å; M978-L982 WeakPolarHBondContact O-CB 3.46Å; M978-L982 VanDerWaalsContact O-CG 3.31Å; M978-L982 WeakPolarHBondContact O-CG 3.37Å; M978-L982 PolarHBondContact O-N 3.39Å; M978-L1004 HydrophobicContact CB-CD1 3.58Å; M978-L1004 HydrophobicContact CE-CD1 3.93Å; M978-L1004 HydrophobicContact SD-CD1 4.48Å
979	E	89.3	Confident	84.3	Confident	75 Å²	75	64.3 Å²	64.3	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-57.3	-47	178.4	-167.4	-166.1	176.2	0	0	111.5	E975 I981 L982 N983 L1001 L1004	E975-E979 WeakPolarHBondContact O-CB 3.49Å; E975-E979 PolarHBondContact O-N 2.96Å; E979-I981 PolarHBondContact O-N 3.18Å; E979-L982 PolarHBondContact O-N 3.31Å; E979-N983 VanDerWaalsContact O-CB 3.27Å; E979-N983 WeakPolarHBondContact O-CB 3.42Å; E979-N983 VanDerWaalsContact O-CG 3.28Å; E979-N983 PolarHBondContact O-N 3.1Å; E979-N983 PolarHBondContact O-ND2 2.93Å; E979-L1001 HydrophobicContact CG-CD1 4.16Å; E979-L1004 HydrophobicContact CB-CD2 4.15Å; E979-L1004 HydrophobicContact CG-CD2 4.5Å
980	K	90.7	Very high	83.5	Confident	67 Å²	67	67 Å²	67	29%	0.291	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-38.3	178	-74.3	173.5	178	-177.5	0	113.2	N967 V968 D972 A976 M978 R984	N967-K980 PolarHBondContact O-NZ 3.32Å; V968-K980 HydrophobicContact CG2-CB 4.45Å; V968-K980 HydrophobicContact CG2-CD 4.02Å; D972-K980 IonicContact OD2-NZ 2.69Å; D972-K980 PolarHBondContact OD2-NZ 2.84Å; A976-K980 VanDerWaalsContact O-CG 3.31Å; A976-K980 WeakPolarHBondContact O-CG 3.07Å; A976-K980 PolarHBondContact O-N 2.89Å; M978-K980 PolarHBondContact O-N 3.29Å; K980-R984 PolarHBondContact O-N 3.49Å
981	I	90.3	Very high	83	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-70.7	-45.4	177	-65.1	163.6	0	0	0	110.5	M945 L948 A949 L958 F966 V977 M978 E979 R984 C985	M945-I981 HydrophobicContact CB-CG2 3.84Å; M945-I981 VanDerWaalsContact O-CG2 3.3Å; M945-I981 WeakPolarHBondContact O-CG2 3.47Å; L948-I981 HydrophobicContact CD2-CD1 4.06Å; A949-I981 HydrophobicContact CB-CG2 4.28Å; L958-I981 HydrophobicContact CD1-CD1 3.86Å; F966-I981 HydrophobicContact CB-CG1 4.35Å; F966-I981 HydrophobicContact CD1-CG1 4.39Å; F966-I981 HydrophobicContact CD2-CG1 3.82Å; F966-I981 HydrophobicContact CE2-CG1 4.2Å; F966-I981 HydrophobicContact CG-CG1 3.94Å; V977-I981 HydrophobicContact CG1-CD1 3.94Å; V977-I981 WeakPolarHBondContact O-CD1 3.2Å; V977-I981 WeakPolarHBondContact O-CG1 3.43Å; V977-I981 PolarHBondContact O-N 3.33Å; M978-I981 PolarHBondContact O-N 3.03Å; E979-I981 PolarHBondContact O-N 3.18Å; I981-R984 PolarHBondContact O-N 3.41Å; I981-C985 WeakPolarHBondContact O-CB 3.37Å; I981-C985 PolarHBondContact O-N 3.05Å
982	L	90	Very high	82.2	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-72.1	-37	-176.8	-70.3	171.3	0	0	0	112.8	F946 A949 M978 E979 R984 C985 A986 C997 A1000 L1001 L1004	F946-L982 HydrophobicContact CD2-CD2 4.38Å; A949-L982 HydrophobicContact CB-CD1 4.38Å; A949-L982 HydrophobicContact CB-CD2 3.95Å; A949-L982 HydrophobicContact CB-CG 3.97Å; M978-L982 WeakPolarHBondContact O-CB 3.46Å; M978-L982 VanDerWaalsContact O-CG 3.31Å; M978-L982 WeakPolarHBondContact O-CG 3.37Å; M978-L982 PolarHBondContact O-N 3.39Å; E979-L982 PolarHBondContact O-N 3.31Å; L982-R984 VanDerWaalsContact C-N 3.34Å; L982-R984 PolarHBondContact O-N 3.38Å; L982-C985 WeakPolarHBondContact O-CB 3.31Å; L982-C985 PolarHBondContact O-N 2.59Å; L982-A986 WeakPolarHBondContact O-CB 3.33Å; L982-A986 PolarHBondContact O-N 2.99Å; L982-C997 HydrophobicContact CD2-CB 4.23Å; L982-A1000 HydrophobicContact CD1-CB 4.02Å; L982-A1000 HydrophobicContact CD2-CB 4.12Å; L982-L1001 HydrophobicContact CB-CB 4.18Å; L982-L1001 HydrophobicContact CB-CD1 4.09Å; L982-L1004 HydrophobicContact CD1-CD1 4.2Å
983	N	89.4	Confident	81.3	Confident	56 Å²	56	70.2 Å²	70.2	30%	0.299	37%	0.374	S	S	.	.	H	α-helix	trans	-55	-51.1	169.2	-81.8	-33.5	0	0	0	110.4	E979 C985 A986 E987 L1001	E979-N983 VanDerWaalsContact O-CB 3.27Å; E979-N983 WeakPolarHBondContact O-CB 3.42Å; E979-N983 VanDerWaalsContact O-CG 3.28Å; E979-N983 PolarHBondContact O-N 3.1Å; E979-N983 PolarHBondContact O-ND2 2.93Å; N983-C985 VanDerWaalsContact C-N 3.28Å; N983-C985 PolarHBondContact O-N 3.26Å; N983-A986 PolarHBondContact O-N 3.23Å; N983-E987 WeakPolarHBondContact O-CG 3.33Å; N983-E987 PolarHBondContact O-N 3.48Å; N983-L1001 WeakPolarHBondContact OD1-CD1 3.3Å; N983-L1001 VanDerWaalsContact OD1-CD2 3.24Å; N983-L1001 WeakPolarHBondContact OD1-CD2 3.46Å
984	R	88.4	Confident	80.7	Confident	120 Å²	120	74.2 Å²	74.2	45%	0.453	39%	0.389	S	S	.	.	H	α-helix	trans	-68.5	-27.5	-179.4	-171.3	53.4	171.3	-177	5.5	113.4	M945 F966 K980 I981 L982 E987 I988	M945-R984 HydrophobicContact SD-CG 4.35Å; F966-R984 HydrophobicContact CD1-CB 3.99Å; F966-R984 HydrophobicContact CD1-CG 4.14Å; F966-R984 HydrophobicContact CE1-CB 3.88Å; F966-R984 HydrophobicContact CE1-CG 3.81Å; K980-R984 PolarHBondContact O-N 3.49Å; I981-R984 PolarHBondContact O-N 3.41Å; L982-R984 VanDerWaalsContact C-N 3.34Å; L982-R984 PolarHBondContact O-N 3.38Å; R984-E987 WeakPolarHBondContact CD-OE2 3.26Å; R984-E987 IonicContact CZ-OE2 3.59Å; R984-E987 IonicContact NE-OE2 3.58Å; R984-E987 IonicContact NH1-OE2 2.68Å; R984-E987 PolarHBondContact NH1-OE2 3.45Å; R984-I988 HydrophobicContact CG-CD1 4.5Å; R984-I988 VanDerWaalsContact O-CD1 3.27Å; R984-I988 WeakPolarHBondContact O-CD1 3.41Å; R984-I988 WeakPolarHBondContact O-CG1 3.42Å
985	C	88.8	Confident	80.4	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-68.5	-48.4	171.9	-176.2	0	0	0	0	111.4	P942 M945 I981 L982 N983 E987 I988 E989 C997	P942-C985 VanDerWaalsContact CA-SG 3.57Å; P942-C985 PolarHBondContact O-SG 2.99Å; M945-C985 HydrophobicContact CB-CB 3.84Å; M945-C985 HydrophobicContact SD-CB 4.08Å; I981-C985 WeakPolarHBondContact O-CB 3.37Å; I981-C985 PolarHBondContact O-N 3.05Å; L982-C985 WeakPolarHBondContact O-CB 3.31Å; L982-C985 PolarHBondContact O-N 2.59Å; N983-C985 VanDerWaalsContact C-N 3.28Å; N983-C985 PolarHBondContact O-N 3.26Å; C985-E987 VanDerWaalsContact C-N 3.3Å; C985-E987 PolarHBondContact O-N 3.04Å; C985-I988 PolarHBondContact O-N 2.94Å; C985-E989 PolarHBondContact O-N 2.88Å; C985-C997 HydrophobicContact CB-CB 3.58Å; C985-C997 WeakPolarHBondContact CB-SG 3.42Å; C985-C997 WeakPolarHBondContact SG-CB 3.39Å; C985-C997 CovalentContact SG-SG 2.02Å; C985-C997 PolarHBondContact SG-SG 3.48Å
986	A	86.4	Confident	80.4	Confident	27 Å²	27	68.5 Å²	68.5	22%	0.223	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-33.3	179.2	0	0	0	0	0	112.6	L982 N983 I988 E989 L1001	L982-A986 WeakPolarHBondContact O-CB 3.33Å; L982-A986 PolarHBondContact O-N 2.99Å; N983-A986 PolarHBondContact O-N 3.23Å; A986-I988 PolarHBondContact O-N 3.44Å; A986-E989 PolarHBondContact O-N 2.83Å; A986-L1001 HydrophobicContact CB-CD2 4.44Å
987	E	84.6	Confident	80.4	Confident	131 Å²	131	67.1 Å²	67.1	61%	0.612	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.8	172.5	-75.4	176.9	174.6	0	0	115	N983 R984 C985	N983-E987 WeakPolarHBondContact O-CG 3.33Å; N983-E987 PolarHBondContact O-N 3.48Å; R984-E987 WeakPolarHBondContact CD-OE2 3.26Å; R984-E987 IonicContact CZ-OE2 3.59Å; R984-E987 IonicContact NE-OE2 3.58Å; R984-E987 IonicContact NH1-OE2 2.68Å; R984-E987 PolarHBondContact NH1-OE2 3.45Å; C985-E987 VanDerWaalsContact C-N 3.3Å; C985-E987 PolarHBondContact O-N 3.04Å
988	I	80.7	Confident	80.4	Confident	76 Å²	76	67.7 Å²	67.7	39%	0.39	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-21.2	-176.1	-63	168.6	0	0	0	111.5	P942 M945 R984 C985 A986	P942-I988 HydrophobicContact CG-CB 4.34Å; P942-I988 HydrophobicContact CG-CG2 3.81Å; M945-I988 HydrophobicContact CE-CD1 3.64Å; M945-I988 HydrophobicContact SD-CD1 4.18Å; R984-I988 HydrophobicContact CG-CD1 4.5Å; R984-I988 VanDerWaalsContact O-CD1 3.27Å; R984-I988 WeakPolarHBondContact O-CD1 3.41Å; R984-I988 WeakPolarHBondContact O-CG1 3.42Å; C985-I988 PolarHBondContact O-N 2.94Å; A986-I988 PolarHBondContact O-N 3.44Å
989	E	76.9	Confident	80.2	Confident	41 Å²	41	69.1 Å²	69.1	19%	0.192	37%	0.373	C	S	.	.	S	Bend	trans	-83.8	159.4	177	-68	178.3	143.2	0	0	111.2	P942 C985 A986 T995 C997	P942-E989 HydrophobicContact CB-CG 3.58Å; P942-E989 WeakPolarHBondContact CB-OE1 3.42Å; P942-E989 HydrophobicContact CG-CG 3.82Å; C985-E989 PolarHBondContact O-N 2.88Å; A986-E989 PolarHBondContact O-N 2.83Å; E989-T995 HydrophobicContact CB-CG2 3.85Å; E989-T995 HydrophobicContact CG-CG2 4.32Å; E989-T995 WeakPolarHBondContact OE2-CB 3.21Å; E989-T995 PolarHBondContact OE2-OG1 2.78Å; E989-C997 WeakPolarHBondContact OE2-CB 3.37Å
990	D	66	Low	80	Confident	131 Å²	131	67.2 Å²	67.2	70%	0.701	37%	0.37	S	S	*	.			trans	-74.3	131	-172.7	-152.9	-10.3	0	0	0	111.8	E992 A993	D990-E992 PolarHBondContact O-N 3.21Å; D990-A993 PolarHBondContact O-N 2.8Å
991	D	57.5	Low	79.9	Confident	164 Å²	164	64.9 Å²	64.9	88%	0.877	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.7	-169.2	-83.6	-38.7	0	0	0	113.6
992	E	54.3	Low	79.6	Confident	192 Å²	192	69 Å²	69	90%	0.897	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.4	-174.2	-60.3	-163.1	163.7	0	0	114.6	D990	D990-E992 PolarHBondContact O-N 3.21Å
993	A	60.8	Low	79.3	Confident	58 Å²	58	71 Å²	71	48%	0.479	40%	0.403	S	S	.	.	S	Bend	trans	-123.7	138.5	-175.1	0	0	0	0	0	114.3	D990 T995	D990-A993 PolarHBondContact O-N 2.8Å; A993-T995 HydrophobicContact CB-CG2 4.31Å; A993-T995 WeakPolarHBondContact O-CG2 3.31Å; A993-T995 PolarHBondContact O-N 3.43Å
994	V	69.8	Low	79.1	Confident	131 Å²	131	70.3 Å²	70.3	79%	0.794	40%	0.4	S	S	*	.			trans	-74.6	96.1	167.5	-179.3	0	0	0	0	109	A999	V994-A999 HydrophobicContact CG1-CB 4.21Å
995	T	78.2	Confident	78.8	Confident	22 Å²	22	69.7 Å²	69.7	14%	0.135	40%	0.402	C	S	.	.			trans	-86.5	165.4	-178.5	64.5	0	0	0	0	113.5	E989 A993 C997 S998 A999	E989-T995 HydrophobicContact CB-CG2 3.85Å; E989-T995 HydrophobicContact CG-CG2 4.32Å; E989-T995 WeakPolarHBondContact OE2-CB 3.21Å; E989-T995 PolarHBondContact OE2-OG1 2.78Å; A993-T995 HydrophobicContact CB-CG2 4.31Å; A993-T995 WeakPolarHBondContact O-CG2 3.31Å; A993-T995 PolarHBondContact O-N 3.43Å; T995-C997 VanDerWaalsContact C-N 3.28Å; T995-C997 PolarHBondContact O-N 3.4Å; T995-S998 PolarHBondContact N-OG 2.98Å; T995-S998 PolarHBondContact O-N 3.31Å; T995-S998 PolarHBondContact O-OG 3.15Å; T995-S998 VanDerWaalsContact O-OG 3.12Å; T995-S998 PolarHBondContact OG1-N 3.31Å; T995-S998 PolarHBondContact OG1-OG 3.45Å; T995-A999 VanDerWaalsContact O-CB 3.27Å; T995-A999 WeakPolarHBondContact O-CB 3.46Å; T995-A999 PolarHBondContact O-N 2.73Å
996	P	82.4	Confident	78.3	Confident	77 Å²	77	77.1 Å²	77.1	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-57.2	-37.6	174.9	-26	36.2	0	0	0	113.7	F946 A1000	F946-P996 HydrophobicContact CD2-CB 3.88Å; F946-P996 HydrophobicContact CE2-CB 3.72Å; F946-P996 WeakPolarHBondContact CE2-O 3.45Å; F946-P996 HydrophobicContact CG-CB 4.35Å; F946-P996 HydrophobicContact CZ-CB 4.06Å; P996-A1000 VanDerWaalsContact O-CB 3.24Å; P996-A1000 WeakPolarHBondContact O-CB 3.26Å; P996-A1000 PolarHBondContact O-N 2.88Å
997	C	87	Confident	77.1	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	49%	0.489	C	S	.	.	H	α-helix	trans	-72.8	-44.6	178.7	-77.3	0	0	0	0	113	L982 C985 E989 T995 A1000 L1001	L982-C997 HydrophobicContact CD2-CB 4.23Å; C985-C997 HydrophobicContact CB-CB 3.58Å; C985-C997 WeakPolarHBondContact CB-SG 3.42Å; C985-C997 WeakPolarHBondContact SG-CB 3.39Å; C985-C997 CovalentContact SG-SG 2.02Å; C985-C997 PolarHBondContact SG-SG 3.48Å; E989-C997 WeakPolarHBondContact OE2-CB 3.37Å; T995-C997 VanDerWaalsContact C-N 3.28Å; T995-C997 PolarHBondContact O-N 3.4Å; C997-A1000 PolarHBondContact O-N 3.23Å; C997-L1001 VanDerWaalsContact O-CB 3.27Å; C997-L1001 WeakPolarHBondContact O-CB 3.45Å; C997-L1001 PolarHBondContact O-N 3.2Å
998	S	86.5	Confident	76.7	Confident	29 Å²	29	79.3 Å²	79.3	20%	0.203	48%	0.483	C	S	.	.	H	α-helix	trans	-65.6	-38.6	177.4	54.7	0	0	0	0	111.9	T995 L1001 L1002	T995-S998 PolarHBondContact N-OG 2.98Å; T995-S998 PolarHBondContact O-N 3.31Å; T995-S998 PolarHBondContact O-OG 3.15Å; T995-S998 VanDerWaalsContact O-OG 3.12Å; T995-S998 PolarHBondContact OG1-N 3.31Å; T995-S998 PolarHBondContact OG1-OG 3.45Å; S998-L1001 PolarHBondContact O-N 2.88Å; S998-L1002 WeakPolarHBondContact O-CB 3.43Å; S998-L1002 WeakPolarHBondContact O-CG 3.37Å; S998-L1002 PolarHBondContact O-N 3.22Å
999	A	85.7	Confident	76.5	Confident	48 Å²	48	79.5 Å²	79.5	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-42.2	172.8	0	0	0	0	0	113	V994 T995 G1003	V994-A999 HydrophobicContact CG1-CB 4.21Å; T995-A999 VanDerWaalsContact O-CB 3.27Å; T995-A999 WeakPolarHBondContact O-CB 3.46Å; T995-A999 PolarHBondContact O-N 2.73Å; A999-G1003 PolarHBondContact O-N 2.82Å
1000	A	86.1	Confident	76.5	Confident	34 Å²	34	81.6 Å²	81.6	28%	0.281	50%	0.504	S	S	.	.	H	α-helix	trans	-68.7	-37.8	176.8	0	0	0	0	0	112.6	F946 L982 P996 C997 G1003 L1004	F946-A1000 HydrophobicContact CE2-CB 3.96Å; L982-A1000 HydrophobicContact CD1-CB 4.02Å; L982-A1000 HydrophobicContact CD2-CB 4.12Å; P996-A1000 VanDerWaalsContact O-CB 3.24Å; P996-A1000 WeakPolarHBondContact O-CB 3.26Å; P996-A1000 PolarHBondContact O-N 2.88Å; C997-A1000 PolarHBondContact O-N 3.23Å; A1000-G1003 PolarHBondContact O-N 3.33Å; A1000-L1004 WeakPolarHBondContact O-CB 3.33Å; A1000-L1004 PolarHBondContact O-N 2.96Å
1001	L	87.2	Confident	77.1	Confident	18 Å²	18	78.7 Å²	78.7	9%	0.094	49%	0.493	C	S	.	.	H	α-helix	trans	-62.6	-47.6	174.8	-178.5	64.8	0	0	0	111.3	E979 L982 N983 A986 C997 S998 G1003 L1004 Q1005	E979-L1001 HydrophobicContact CG-CD1 4.16Å; L982-L1001 HydrophobicContact CB-CB 4.18Å; L982-L1001 HydrophobicContact CB-CD1 4.09Å; N983-L1001 WeakPolarHBondContact OD1-CD1 3.3Å; N983-L1001 VanDerWaalsContact OD1-CD2 3.24Å; N983-L1001 WeakPolarHBondContact OD1-CD2 3.46Å; A986-L1001 HydrophobicContact CB-CD2 4.44Å; C997-L1001 VanDerWaalsContact O-CB 3.27Å; C997-L1001 WeakPolarHBondContact O-CB 3.45Å; C997-L1001 PolarHBondContact O-N 3.2Å; S998-L1001 PolarHBondContact O-N 2.88Å; L1001-G1003 VanDerWaalsContact C-N 3.31Å; L1001-G1003 PolarHBondContact O-N 3.47Å; L1001-L1004 PolarHBondContact O-N 3.04Å; L1001-L1004 VanDerWaalsContact O-N 3.11Å; L1001-Q1005 WeakPolarHBondContact O-CG 3.28Å; L1001-Q1005 PolarHBondContact O-N 3.48Å
1002	L	85	Confident	78.3	Confident	89 Å²	89	73.4 Å²	73.4	47%	0.466	47%	0.469	S	S	.	.	H	α-helix	trans	-59.2	-41.5	173.9	-80.1	165.5	0	0	0	112	S998 L1004 Q1005 M1006	S998-L1002 WeakPolarHBondContact O-CB 3.43Å; S998-L1002 WeakPolarHBondContact O-CG 3.37Å; S998-L1002 PolarHBondContact O-N 3.22Å; L1002-L1004 VanDerWaalsContact C-N 3.27Å; L1002-L1004 PolarHBondContact O-N 2.92Å; L1002-Q1005 PolarHBondContact O-N 3.46Å; L1002-M1006 HydrophobicContact CB-CE 4.35Å; L1002-M1006 WeakPolarHBondContact O-CB 3.29Å; L1002-M1006 WeakPolarHBondContact O-CG 3.32Å; L1002-M1006 PolarHBondContact O-N 3.31Å
1003	G	82.7	Confident	79.9	Confident	46 Å²	46	65.5 Å²	65.5	47%	0.474	44%	0.44	S	S	.	.	H	α-helix	trans	-62.2	-33.5	174.8	0	0	0	0	0	113.5	A999 A1000 L1001 G1007	A999-G1003 PolarHBondContact O-N 2.82Å; A1000-G1003 PolarHBondContact O-N 3.33Å; L1001-G1003 VanDerWaalsContact C-N 3.31Å; L1001-G1003 PolarHBondContact O-N 3.47Å; G1003-G1007 PolarHBondContact O-N 3.28Å
1004	L	86	Confident	81.3	Confident	43 Å²	43	66 Å²	66	23%	0.225	44%	0.437	C	S	.	.	H	α-helix	trans	-78.7	-30.3	177.9	-161.2	154.5	0	0	0	112.2	M978 E979 L982 A1000 L1001 L1002	M978-L1004 HydrophobicContact CB-CD1 3.58Å; M978-L1004 HydrophobicContact CE-CD1 3.93Å; M978-L1004 HydrophobicContact SD-CD1 4.48Å; E979-L1004 HydrophobicContact CB-CD2 4.15Å; E979-L1004 HydrophobicContact CG-CD2 4.5Å; L982-L1004 HydrophobicContact CD1-CD1 4.2Å; A1000-L1004 WeakPolarHBondContact O-CB 3.33Å; A1000-L1004 PolarHBondContact O-N 2.96Å; L1001-L1004 PolarHBondContact O-N 3.04Å; L1001-L1004 VanDerWaalsContact O-N 3.11Å; L1002-L1004 VanDerWaalsContact C-N 3.27Å; L1002-L1004 PolarHBondContact O-N 2.92Å
1005	Q	82	Confident	82.2	Confident	106 Å²	106	61 Å²	61	50%	0.495	41%	0.41	S	S	.	.	H	α-helix	trans	-82.4	-17.9	176.1	-70.8	176.4	-10.1	0	0	114.3	L1001 L1002	L1001-Q1005 WeakPolarHBondContact O-CG 3.28Å; L1001-Q1005 PolarHBondContact O-N 3.48Å; L1002-Q1005 PolarHBondContact O-N 3.46Å
1006	M	79.5	Confident	82.5	Confident	156 Å²	156	64.3 Å²	64.3	77%	0.768	43%	0.433	S	S	*	.			trans	-102.7	-6.2	179.3	-68.9	-167.5	-63.7	0	0	114.5	L1002	L1002-M1006 HydrophobicContact CB-CE 4.35Å; L1002-M1006 WeakPolarHBondContact O-CB 3.29Å; L1002-M1006 WeakPolarHBondContact O-CG 3.32Å; L1002-M1006 PolarHBondContact O-N 3.31Å
1007	G	59.8	Low	82.5	Confident	125 Å²	125	63.1 Å²	63.1	100%	1.289	43%	0.427	S	S	*	.			trans	-92.9	0	177.7	0	0	0	0	0	113.3	G1003	G1003-G1007 PolarHBondContact O-N 3.28Å

Retrieved 1,007 of 1,007 residues in 666.4 ms (Link to these results)

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