A0A3Q0KNL9_SCHMA Loading...

DNA-directed RNA polymerase III subunit RPC5

AlphaFold DB , UniProt , Accession A0A3Q0KNL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 863 aa.

						>A0A3Q0KNL9_SCHMA|A0A3Q0KNL9
MDVPAKSGGDEPGVLKEVDCYISPALQKQILLLLYKNRENYHTLDNESIKEARIKPNLDLLEFVVRDGRSSCVESVGEQIDTYLLRSNTVTFPRTLLGYFVNDECHFIPLKRDALVLDTCKEAVKVDKTNQNSDSSTSTPVAPAAFVSARLRTADAIALRGPMASRRKPADSDPDVIFLKQQVQAPWCPVQYKRFIPSEAFERRIPLLYSNDDMPELTRNRVTGPSQEEYVNSLLASVTPHVVDRSRTEPVKLPTLGELIQTIMIKAQLIRFDKLVICLRERFKDPHSVTNTSVLQYLPTFAVLLRGWWVAKSEIIYPPNSFSEHSGTPSAILIRARDYIMAVFHRGEHLTRKTISCMTKVPTVEATEILKSLACKMSTTQKGCANHWKFYPTDYDFIKKYPDIVQQQQVAWEIRIRQLCTQLKLEHLVSDGVRRKRNPGQHSGESGSDSDTGFKSLVSGVHISTPSKNTNRKRLRQSSVCHTTDTEKDATNSLKSPDRKRVRTQSLSSSYSSGLSSPHPTSTTTKLSCLQTDVVSSKFCTPISPPPVKINSPKLKVNSTPISSEPPDNSSTSLVSNSVSNQTVACKLEPDAPEDPNPGISAAAAASVSDSEMDEIKPKLSPPSHDLSQSAIIDNCHNDINGNIELSSQTDLVGNRIDSPCTPSQYINNTIMDNNNNDLNFDNNNEIPELLMNNSINFVKNVLNTQPIVALSALTKIYQQQLGNFDANFYSTLWKNSPPPPPGSESERELLKTYLLKVLHTIDARQLTVCWPTVPTALEEEPLFVIKVAGPECGAVSEPIAQFRDIILALYESLPSFKMKDLQEKCPVFPPKGMSDKAMRTFIKQYCIFRHGRYFLRCTVSDD
					

Structure Viewer

Loading PAE data...

(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	39	Very low	45.4	Very low	227 Å²	227	143 Å²	143	100%	1.118	86%	0.862	S	S	*	*				0	91	0	-98	-166.2	179.6	0	0	105.6
2	D	41.6	Very low	47.4	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	86%	0.856	S	S	*	*			trans	-116.3	116.2	-156.2	-57.6	-85.5	0	0	0	107	P4	D2-P4 VanDerWaalsContact O-CD 3.32Å; D2-P4 WeakPolarHBondContact O-CD 3.38Å
3	V	45.2	Very low	49.5	Very low	138 Å²	138	135.3 Å²	135.3	84%	0.836	84%	0.84	S	S	*	*			trans	-85.2	113.8	-177.7	179.2	0	0	0	0	107.4	A5	V3-A5 PolarHBondContact O-N 3.22Å
4	P	43.3	Very low	51.8	Low	113 Å²	113	133.8 Å²	133.8	73%	0.734	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-66.5	120.6	174.9	27.5	-32.9	0	0	0	109	D2 K6	D2-P4 VanDerWaalsContact O-CD 3.32Å; D2-P4 WeakPolarHBondContact O-CD 3.38Å; P4-K6 PolarHBondContact O-N 3.08Å
5	A	41.8	Very low	54.1	Low	99 Å²	99	136.7 Å²	136.7	82%	0.818	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.2	122.3	174.3	0	0	0	0	0	109.2	V3 S7	V3-A5 PolarHBondContact O-N 3.22Å; A5-S7 PolarHBondContact O-N 3.11Å
6	K	42.4	Very low	56.1	Low	208 Å²	208	135.7 Å²	135.7	90%	0.904	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.9	119.9	175.5	-69.4	-177.9	175.6	-175.8	0	109.6	P4	P4-K6 PolarHBondContact O-N 3.08Å
7	S	42.5	Very low	57.9	Low	128 Å²	128	137.8 Å²	137.8	90%	0.895	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.5	122.7	160.8	41.5	0	0	0	0	109.7	A5	A5-S7 PolarHBondContact O-N 3.11Å
8	G	42.5	Very low	59.7	Low	77 Å²	77	133.4 Å²	133.4	79%	0.794	79%	0.79	S	S	*	*			trans	-145.9	141	161.4	0	0	0	0	0	107.4
9	G	39.5	Very low	61.3	Low	78 Å²	78	132.1 Å²	132.1	80%	0.804	78%	0.779	S	S	*	*			cis	159.3	59.9	1.5	0	0	0	0	0	110.4
10	D	59.5	Low	62.7	Low	164 Å²	164	129.4 Å²	129.4	88%	0.877	77%	0.767	S	S	*	*			trans	-156.2	24.3	-174.3	-130.1	-0.5	0	0	0	111.8
11	E	61.6	Low	63.9	Low	188 Å²	188	126.4 Å²	126.4	88%	0.879	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-82.6	134.6	171.8	-70.5	-166.5	146.8	0	0	110.2	G13	E11-G13 PolarHBondContact O-N 2.98Å
12	P	69.7	Low	66.1	Low	123 Å²	123	120.4 Å²	120.4	80%	0.799	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.3	178.9	28.3	-33.7	0	0	0	110.4
13	G	74.8	Confident	68.2	Low	63 Å²	63	113.2 Å²	113.2	65%	0.649	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-60.5	142.2	177.8	0	0	0	0	0	112.6	E11 L15	E11-G13 PolarHBondContact O-N 2.98Å; G13-L15 PolarHBondContact O-N 2.73Å
14	V	82.3	Confident	69.8	Low	114 Å²	114	110.2 Å²	110.2	69%	0.691	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63	117.6	176.7	-179.8	0	0	0	0	109.4	E17	V14-E17 HydrophobicContact CG1-CG 3.85Å
15	L	85.3	Confident	71.5	Confident	178 Å²	178	106.3 Å²	106.3	93%	0.932	64%	0.637	S	S	*	*			trans	-84.4	-33.7	-179.7	-66.5	175.8	0	0	0	112.9	G13	G13-L15 PolarHBondContact O-N 2.73Å
16	K	86.7	Confident	73.4	Confident	120 Å²	120	104.4 Å²	104.4	52%	0.522	61%	0.612	S	S	.	*			trans	-162.2	138.5	-178.3	-175.6	167	-167.9	168.4	0	109.5	V18 D103	K16-V18 HydrophobicContact CG-CG2 4.29Å; K16-D103 IonicContact NZ-OD1 3.97Å; K16-D103 PolarHBondContact NZ-OD1 2.78Å; K16-D103 IonicContact NZ-OD2 3.03Å; K16-D103 PolarHBondContact NZ-OD2 2.85Å
17	E	87.1	Confident	75.2	Confident	171 Å²	171	96.1 Å²	96.1	80%	0.799	58%	0.577	S	S	*	*			trans	-96.5	146.7	165.8	-62	-178	162.5	0	0	108.6	V14	V14-E17 HydrophobicContact CG1-CG 3.85Å
18	V	90.1	Very high	77	Confident	59 Å²	59	97.8 Å²	97.8	36%	0.358	57%	0.568	S	S	.	*			trans	-135.3	115.4	-173.1	167.3	0	0	0	0	107.8	K16 C20 F100 C105	K16-V18 HydrophobicContact CG-CG2 4.29Å; V18-C20 PolarHBondContact O-N 2.88Å; V18-C20 PolarHBondContact O-SG 2.7Å; V18-F100 HydrophobicContact CG1-CE2 3.95Å; V18-C105 HydrophobicContact CG1-CB 4.22Å
19	D	89.5	Confident	79.1	Confident	109 Å²	109	100.8 Å²	100.8	58%	0.583	56%	0.561	S	S	*	*			trans	-67.8	132.3	-179.8	-79.5	-55.5	0	0	0	110.9	Y21 C105	D19-Y21 HydrophobicContact CB-CE2 3.89Å; D19-C105 PolarHBondContact O-N 3.19Å
20	C	89.3	Confident	81.4	Confident	78 Å²	78	98.7 Å²	98.7	53%	0.527	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	106.5	-168.6	-74.6	0	0	0	0	110.9	V18 C105 F107	V18-C20 PolarHBondContact O-N 2.88Å; V18-C20 PolarHBondContact O-SG 2.7Å; C20-C105 CarbonylContact C-O 3.45Å; C20-C105 WeakPolarHBondContact CA-O 3.41Å; C20-F107 HydrophobicContact CB-CE2 4.04Å
21	Y	88.8	Confident	82.7	Confident	67 Å²	67	93 Å²	93	26%	0.263	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	154.5	-179.1	-56	-83.2	0	0	0	111.3	D19 E104 C105 H106 F107 Y209	D19-Y21 HydrophobicContact CB-CE2 3.89Å; Y21-E104 HydrophobicContact CD2-CB 4.48Å; Y21-E104 HydrophobicContact CE2-CB 4.08Å; Y21-E104 HydrophobicContact CE2-CG 4.01Å; Y21-E104 WeakPolarHBondContact CE2-OE2 3.33Å; Y21-C105 PolarHBondContact N-O 2.87Å; Y21-H106 AromaticContact CD2-CE1 3.52Å; Y21-H106 AromaticContact CD2-ND1 3.42Å; Y21-H106 WeakPolarHBondContact CD2-ND1 3.5Å; Y21-H106 AromaticContact CG-ND1 3.78Å; Y21-F107 PolarHBondContact O-N 3.19Å; Y21-Y209 HydrophobicContact CD1-CD1 4.34Å; Y21-Y209 HydrophobicContact CD1-CG 4.29Å; Y21-Y209 HydrophobicContact CG-CG 4.49Å
22	I	85.7	Confident	84	Confident	101 Å²	101	87.1 Å²	87.1	52%	0.518	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	103.8	170.2	-58.3	177.9	0	0	0	108	F107 P109	I22-F107 CarbonylContact C-O 3.57Å; I22-F107 WeakPolarHBondContact CA-O 3.42Å; I22-P109 HydrophobicContact CG2-CG 3.93Å
23	S	84	Confident	84.9	Confident	1 Å²	1	83.9 Å²	83.9	1%	0.007	45%	0.451	C	S	.	.			trans	-86	125	177.5	-171.8	0	0	0	0	110.5	A25 F107 L208	S23-A25 PolarHBondContact O-N 3.38Å; S23-A25 VanDerWaalsContact OG-CB 3.28Å; S23-A25 WeakPolarHBondContact OG-CB 3.28Å; S23-A25 PolarHBondContact OG-N 3.3Å; S23-F107 PolarHBondContact N-O 3.2Å; S23-L208 WeakPolarHBondContact CB-O 3.46Å; S23-L208 PolarHBondContact OG-O 3.23Å
24	P	80.4	Confident	85.6	Confident	76 Å²	76	83.7 Å²	83.7	49%	0.494	43%	0.434	S	S	.	.			trans	-77.3	-8.3	170.3	33.7	-35	0	0	0	112.2	Q27	P24-Q27 WeakPolarHBondContact O-CB 3.24Å
25	A	77.7	Confident	85.9	Confident	31 Å²	31	82.6 Å²	82.6	26%	0.256	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	142.2	-175.6	0	0	0	0	0	111.9	S23 Q27 I108 P206	S23-A25 PolarHBondContact O-N 3.38Å; S23-A25 VanDerWaalsContact OG-CB 3.28Å; S23-A25 WeakPolarHBondContact OG-CB 3.28Å; S23-A25 PolarHBondContact OG-N 3.3Å; A25-Q27 PolarHBondContact O-N 3.31Å; A25-I108 WeakPolarHBondContact O-CG2 3.44Å; A25-P206 VanDerWaalsContact CB-O 3.23Å; A25-P206 WeakPolarHBondContact CB-O 3.47Å
26	L	82.4	Confident	85.9	Confident	59 Å²	59	79 Å²	79	31%	0.309	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	8.5	179.2	-55.4	-174.5	0	0	0	117.1	K28 Q29 I30 P206 L207	L26-K28 PolarHBondContact O-N 2.81Å; L26-Q29 HydrophobicContact CB-CB 4.37Å; L26-Q29 HydrophobicContact CD2-CB 4.33Å; L26-Q29 HydrophobicContact CD2-CG 4.4Å; L26-Q29 WeakPolarHBondContact O-CA 3.33Å; L26-Q29 PolarHBondContact O-N 2.91Å; L26-I30 HydrophobicContact CB-CD1 3.87Å; L26-I30 HydrophobicContact CB-CG1 3.88Å; L26-I30 PolarHBondContact O-N 3.02Å; L26-P206 HydrophobicContact CD1-CB 3.91Å; L26-P206 HydrophobicContact CG-CB 4.33Å; L26-L207 HydrophobicContact CD1-CD2 4.11Å
27	Q	80.7	Confident	85.5	Confident	33 Å²	33	79.6 Å²	79.6	15%	0.154	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.4	-178.7	160	172.4	91.1	0	0	114.7	P24 A25 I108 P109 K111	P24-Q27 WeakPolarHBondContact O-CB 3.24Å; A25-Q27 PolarHBondContact O-N 3.31Å; Q27-I108 HydrophobicContact CB-CG2 4.21Å; Q27-P109 VanDerWaalsContact CG-O 3.28Å; Q27-P109 WeakPolarHBondContact CG-O 3.47Å; Q27-P109 PolarHBondContact NE2-O 3.22Å; Q27-K111 HydrophobicContact CG-CB 4.04Å; Q27-K111 HydrophobicContact CG-CD 3.7Å; Q27-K111 HydrophobicContact CG-CG 3.72Å
28	K	80.6	Confident	85.2	Confident	164 Å²	164	73.7 Å²	73.7	71%	0.713	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.3	174.9	-67.2	-174.2	-179.9	178.7	0	113.9	L26 R112	L26-K28 PolarHBondContact O-N 2.81Å; K28-R112 PolarHBondContact O-NH1 3.19Å
29	Q	85.3	Confident	84.8	Confident	140 Å²	140	76 Å²	76	65%	0.654	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-35.3	-170.9	-57.4	-171.4	30.2	0	0	112.5	L26	L26-Q29 HydrophobicContact CB-CB 4.37Å; L26-Q29 HydrophobicContact CD2-CB 4.33Å; L26-Q29 HydrophobicContact CD2-CG 4.4Å; L26-Q29 WeakPolarHBondContact O-CA 3.33Å; L26-Q29 PolarHBondContact O-N 2.91Å
30	I	87.3	Confident	84.3	Confident	34 Å²	34	78.6 Å²	78.6	17%	0.174	40%	0.395	C	S	.	.			trans	-61.6	137.6	175.9	-65.3	161.1	0	0	0	110.4	L26 L97 I108 L110 L207	L26-I30 HydrophobicContact CB-CD1 3.87Å; L26-I30 HydrophobicContact CB-CG1 3.88Å; L26-I30 PolarHBondContact O-N 3.02Å; I30-L97 HydrophobicContact CD1-CD2 4.33Å; I30-L97 HydrophobicContact CG2-CD2 4.37Å; I30-I108 HydrophobicContact CD1-CB 4.37Å; I30-I108 HydrophobicContact CD1-CG2 3.9Å; I30-L110 HydrophobicContact CB-CD2 4.31Å; I30-L110 HydrophobicContact CG2-CD2 3.76Å; I30-L207 HydrophobicContact CD1-CD2 3.71Å; I30-L207 HydrophobicContact CG1-CD2 4.43Å
31	L	87.5	Confident	83.8	Confident	44 Å²	44	82 Å²	82	23%	0.23	40%	0.398	C	S	.	.			trans	-122.8	130.2	169	-70.7	170.1	0	0	0	108	L33 I54 D59 R112 L115	L31-L33 HydrophobicContact CB-CD2 4.24Å; L31-L33 PolarHBondContact O-N 3.38Å; L31-I54 HydrophobicContact CD1-CD1 3.83Å; L31-D59 HydrophobicContact CD2-CB 4.48Å; L31-R112 HydrophobicContact CD2-CB 4.42Å; L31-L115 HydrophobicContact CD1-CD1 4.14Å; L31-L115 HydrophobicContact CD2-CD1 3.98Å; L31-L115 HydrophobicContact CD2-CG 4.48Å; L31-L115 HydrophobicContact CG-CD1 4.46Å
32	L	88.7	Confident	83.3	Confident	64 Å²	64	83.3 Å²	83.3	34%	0.335	41%	0.406	S	S	.	.			trans	-86.6	103.5	172.7	178	58.3	0	0	0	109	L34 L110 A114 L115	L32-L34 HydrophobicContact CD1-CD2 4.19Å; L32-L34 HydrophobicContact CD2-CD2 4.49Å; L32-L34 HydrophobicContact CG-CD2 4.15Å; L32-L34 HydrophobicContact CG-CG 4.25Å; L32-L110 HydrophobicContact CB-CD1 4.42Å; L32-L110 HydrophobicContact CD2-CD1 4.44Å; L32-A114 HydrophobicContact CB-CB 4.25Å; L32-A114 HydrophobicContact CD2-CB 4.12Å; L32-A114 HydrophobicContact CG-CB 4.24Å; L32-L115 PolarHBondContact O-N 3.48Å
33	L	89.4	Confident	83.1	Confident	56 Å²	56	80.9 Å²	80.9	29%	0.293	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.7	175.2	-53.4	-172.4	0	0	0	109.9	L31 L61 F63 L115 L117	L31-L33 HydrophobicContact CB-CD2 4.24Å; L31-L33 PolarHBondContact O-N 3.38Å; L33-L61 HydrophobicContact CD1-CD2 4.01Å; L33-L61 HydrophobicContact CD2-CD2 3.66Å; L33-F63 HydrophobicContact CD1-CZ 4.49Å; L33-L115 HydrophobicContact CD2-CB 3.82Å; L33-L115 HydrophobicContact CD2-CD1 3.98Å; L33-L115 HydrophobicContact CD2-CG 4.42Å; L33-L117 HydrophobicContact CB-CD1 4.39Å; L33-L117 HydrophobicContact CD1-CD1 4.42Å
34	L	89.3	Confident	83.1	Confident	59 Å²	59	80.9 Å²	80.9	31%	0.309	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.4	175.8	-59.9	176.9	0	0	0	108.7	L32 F92 A114 L115 V116 L117	L32-L34 HydrophobicContact CD1-CD2 4.19Å; L32-L34 HydrophobicContact CD2-CD2 4.49Å; L32-L34 HydrophobicContact CG-CD2 4.15Å; L32-L34 HydrophobicContact CG-CG 4.25Å; L34-F92 HydrophobicContact CD1-CE2 3.97Å; L34-F92 HydrophobicContact CD1-CZ 4.02Å; L34-A114 HydrophobicContact CD1-CB 4Å; L34-L115 PolarHBondContact N-O 3.33Å; L34-V116 HydrophobicContact CB-CG2 4.19Å; L34-V116 HydrophobicContact CD1-CG2 4.33Å; L34-V116 CarbonylContact O-C 3.54Å; L34-V116 WeakPolarHBondContact O-CA 3.43Å; L34-L117 PolarHBondContact O-N 2.94Å
35	Y	88.1	Confident	83.2	Confident	90 Å²	90	79.2 Å²	79.2	35%	0.353	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128	179.8	-59.7	-81.7	0	0	0	110.9	L44 L117	Y35-L44 HydrophobicContact CE1-CD1 3.84Å; Y35-L44 HydrophobicContact CE1-CD2 4.28Å; Y35-L44 HydrophobicContact CE1-CG 3.77Å; Y35-L44 VanDerWaalsContact OH-CD1 3.27Å; Y35-L44 WeakPolarHBondContact OH-CD1 3.15Å; Y35-L44 WeakPolarHBondContact OH-CG 3.38Å; Y35-L117 HydrophobicContact CD1-CB 4.17Å; Y35-L117 HydrophobicContact CD1-CD1 3.97Å; Y35-L117 HydrophobicContact CE1-CD1 3.49Å; Y35-L117 VanDerWaalsContact CE1-CD1 3.49Å
36	K	85.6	Confident	83.3	Confident	103 Å²	103	83.9 Å²	83.9	45%	0.448	40%	0.404	S	S	.	.	S	Bend	trans	-87.3	141.6	168.8	-161.9	173.8	154.9	-155.5	0	108.9	R38 V116 L117 D118	K36-R38 VanDerWaalsContact C-N 3.33Å; K36-R38 PolarHBondContact O-N 2.98Å; K36-V116 HydrophobicContact CB-CG1 3.81Å; K36-V116 HydrophobicContact CD-CG1 4.24Å; K36-V116 HydrophobicContact CG-CG1 4.44Å; K36-L117 WeakPolarHBondContact CB-O 3.48Å; K36-L117 PolarHBondContact N-O 2.79Å; K36-D118 HydrophobicContact CB-CB 4.19Å; K36-D118 HydrophobicContact CD-CB 4.12Å; K36-D118 WeakPolarHBondContact CD-OD2 3.39Å; K36-D118 WeakPolarHBondContact CE-OD2 3.34Å; K36-D118 IonicContact NZ-OD2 2.79Å; K36-D118 PolarHBondContact NZ-OD2 3.32Å
37	N	78.5	Confident	83.3	Confident	133 Å²	133	82.7 Å²	82.7	71%	0.711	40%	0.397	S	S	*	.	S	Bend	trans	58.8	31.8	174.8	-45.8	-46.7	0	0	0	115.7	D118	N37-D118 PolarHBondContact ND2-OD1 3.49Å
38	R	81.1	Confident	83.5	Confident	46 Å²	46	83.5 Å²	83.5	17%	0.174	41%	0.406	C	S	.	.			trans	-127.5	138.9	176.6	-73.6	-173.2	167.5	-127.9	0	112.8	K36 H42 E47 Y83	K36-R38 VanDerWaalsContact C-N 3.33Å; K36-R38 PolarHBondContact O-N 2.98Å; R38-H42 PolarHBondContact NH1-O 2.89Å; R38-E47 IonicContact CZ-OE1 2.8Å; R38-E47 VanDerWaalsContact CZ-OE1 3.24Å; R38-E47 IonicContact CZ-OE2 3.16Å; R38-E47 VanDerWaalsContact NH1-CD 3.3Å; R38-E47 IonicContact NH1-OE1 2.72Å; R38-E47 PolarHBondContact NH1-OE1 2.76Å; R38-E47 IonicContact NH1-OE2 3.06Å; R38-E47 PolarHBondContact NH1-OE2 3.21Å; R38-E47 VanDerWaalsContact NH2-CD 3.28Å; R38-E47 IonicContact NH2-OE1 3.18Å; R38-E47 PolarHBondContact NH2-OE1 3.36Å; R38-E47 IonicContact NH2-OE2 2.9Å; R38-E47 PolarHBondContact NH2-OE2 3.26Å; R38-Y83 PolarHBondContact NH2-OH 2.94Å
39	E	80.5	Confident	83.8	Confident	108 Å²	108	77.4 Å²	77.4	51%	0.505	38%	0.381	S	S	.	.			trans	-55.7	143.1	165.2	50.7	60.5	108.3	0	0	112.2	Y41 H42	E39-Y41 HydrophobicContact CB-CE1 4.23Å; E39-Y41 PolarHBondContact O-N 3.31Å; E39-Y41 PolarHBondContact OE1-OH 2.93Å; E39-Y41 PolarHBondContact OE2-OH 3.22Å; E39-H42 PolarHBondContact O-N 3.18Å; E39-H42 IonicContact OE2-CD2 2.79Å
40	N	79.9	Confident	83.8	Confident	163 Å²	163	77.5 Å²	77.5	87%	0.872	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.2	174.9	-71.6	-11.2	0	0	0	113.6
41	Y	79	Confident	84	Confident	150 Å²	150	80 Å²	80	59%	0.588	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-9	178.2	57.5	-86.8	0	0	0	113.6	E39 T43	E39-Y41 HydrophobicContact CB-CE1 4.23Å; E39-Y41 PolarHBondContact O-N 3.31Å; E39-Y41 PolarHBondContact OE1-OH 2.93Å; E39-Y41 PolarHBondContact OE2-OH 3.22Å; Y41-T43 PolarHBondContact O-N 2.77Å
42	H	77.8	Confident	84.2	Confident	94 Å²	94	78.2 Å²	78.2	44%	0.435	38%	0.381	S	S	.	.			trans	-94.3	62.9	176.8	-81.4	-66.1	0	0	0	111.6	R38 E39	R38-H42 PolarHBondContact NH1-O 2.89Å; E39-H42 PolarHBondContact O-N 3.18Å; E39-H42 IonicContact OE2-CD2 2.79Å
43	T	81.7	Confident	84.5	Confident	50 Å²	50	78.1 Å²	78.1	31%	0.307	38%	0.377	S	S	.	.			trans	-76	156.4	178.2	83.1	0	0	0	0	112.4	Y41 D45 N46	Y41-T43 PolarHBondContact O-N 2.77Å; T43-D45 WeakPolarHBondContact CB-OD2 3.26Å; T43-D45 PolarHBondContact O-N 3.24Å; T43-D45 PolarHBondContact OG1-N 2.85Å; T43-D45 PolarHBondContact OG1-OD2 2.96Å; T43-N46 PolarHBondContact O-N 2.8Å
44	L	83.6	Confident	84.7	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.005	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-62.9	-16.4	175.2	-69.7	-175.6	0	0	0	113.7	Y35 N46 E47 I49 F63 L85 Y192	Y35-L44 HydrophobicContact CE1-CD1 3.84Å; Y35-L44 HydrophobicContact CE1-CD2 4.28Å; Y35-L44 HydrophobicContact CE1-CG 3.77Å; Y35-L44 VanDerWaalsContact OH-CD1 3.27Å; Y35-L44 WeakPolarHBondContact OH-CD1 3.15Å; Y35-L44 WeakPolarHBondContact OH-CG 3.38Å; L44-N46 PolarHBondContact O-N 3.07Å; L44-E47 VanDerWaalsContact CD2-OE2 3.26Å; L44-E47 WeakPolarHBondContact CD2-OE2 3.09Å; L44-E47 PolarHBondContact O-N 3.44Å; L44-I49 HydrophobicContact CB-CD1 4.38Å; L44-I49 HydrophobicContact CD1-CD1 4.04Å; L44-I49 HydrophobicContact CD2-CD1 4.44Å; L44-F63 HydrophobicContact CD1-CD2 4.43Å; L44-F63 HydrophobicContact CD1-CE2 4.32Å; L44-L85 HydrophobicContact CD2-CD1 3.72Å; L44-Y192 HydrophobicContact CB-CE1 4.32Å; L44-Y192 HydrophobicContact CB-CE2 4.39Å; L44-Y192 WeakPolarHBondContact CB-OH 3.46Å; L44-Y192 HydrophobicContact CD1-CE2 4.39Å
45	D	82.2	Confident	84.7	Confident	41 Å²	41	74.3 Å²	74.3	22%	0.219	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-66.1	-29.1	-178.3	-50.3	-78	0	0	0	112	T43 E47 Y192 R194 F195	T43-D45 WeakPolarHBondContact CB-OD2 3.26Å; T43-D45 PolarHBondContact O-N 3.24Å; T43-D45 PolarHBondContact OG1-N 2.85Å; T43-D45 PolarHBondContact OG1-OD2 2.96Å; D45-E47 VanDerWaalsContact C-N 3.28Å; D45-E47 PolarHBondContact O-N 2.88Å; D45-Y192 PolarHBondContact N-OH 3.35Å; D45-Y192 PolarHBondContact OD1-OH 2.99Å; D45-Y192 VanDerWaalsContact OD1-OH 3.07Å; D45-R194 WeakPolarHBondContact O-CD 3.09Å; D45-R194 PolarHBondContact O-NE 2.96Å; D45-R194 PolarHBondContact O-NH2 3.21Å; D45-F195 VanDerWaalsContact OD1-CB 3.27Å; D45-F195 WeakPolarHBondContact OD1-CB 3.3Å; D45-F195 PolarHBondContact OD1-N 3.36Å
46	N	79.5	Confident	84.5	Confident	130 Å²	130	72.4 Å²	72.4	70%	0.695	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-79.9	-8.1	175.7	-66.1	-26.2	0	0	0	112.9	T43 L44	T43-N46 PolarHBondContact O-N 2.8Å; L44-N46 PolarHBondContact O-N 3.07Å
47	E	82.6	Confident	84.3	Confident	34 Å²	34	75 Å²	75	16%	0.159	37%	0.374	C	S	.	.	S	Bend	trans	-107.5	151.7	-170.7	-71.4	172.2	-168.3	0	0	112.9	R38 L44 D45 I49 V65 Y83 R194	R38-E47 IonicContact CZ-OE1 2.8Å; R38-E47 VanDerWaalsContact CZ-OE1 3.24Å; R38-E47 IonicContact CZ-OE2 3.16Å; R38-E47 VanDerWaalsContact NH1-CD 3.3Å; R38-E47 IonicContact NH1-OE1 2.72Å; R38-E47 PolarHBondContact NH1-OE1 2.76Å; R38-E47 IonicContact NH1-OE2 3.06Å; R38-E47 PolarHBondContact NH1-OE2 3.21Å; R38-E47 VanDerWaalsContact NH2-CD 3.28Å; R38-E47 IonicContact NH2-OE1 3.18Å; R38-E47 PolarHBondContact NH2-OE1 3.36Å; R38-E47 IonicContact NH2-OE2 2.9Å; R38-E47 PolarHBondContact NH2-OE2 3.26Å; L44-E47 VanDerWaalsContact CD2-OE2 3.26Å; L44-E47 WeakPolarHBondContact CD2-OE2 3.09Å; L44-E47 PolarHBondContact O-N 3.44Å; D45-E47 VanDerWaalsContact C-N 3.28Å; D45-E47 PolarHBondContact O-N 2.88Å; E47-I49 PolarHBondContact O-N 3.42Å; E47-V65 HydrophobicContact CB-CG1 3.78Å; E47-V65 HydrophobicContact CG-CG1 4.33Å; E47-Y83 VanDerWaalsContact CD-OH 3.28Å; E47-Y83 PolarHBondContact OE1-OH 3.3Å; E47-Y83 PolarHBondContact OE2-OH 2.83Å; E47-R194 PolarHBondContact O-NH2 2.91Å
48	S	84.6	Confident	84.4	Confident	50 Å²	50	70.3 Å²	70.3	35%	0.35	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	86	-179	62.4	0	0	0	0	111.4	K50 R66	S48-K50 PolarHBondContact O-N 3.03Å; S48-R66 PolarHBondContact O-N 3.45Å; S48-R66 WeakPolarHBondContact OG-CB 3.45Å
49	I	87.5	Confident	84.5	Confident	36 Å²	36	69.2 Å²	69.2	19%	0.185	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.1	175.1	-50.8	-159.2	0	0	0	109.7	L44 E47 E51 F63 V65 Y192	L44-I49 HydrophobicContact CB-CD1 4.38Å; L44-I49 HydrophobicContact CD1-CD1 4.04Å; L44-I49 HydrophobicContact CD2-CD1 4.44Å; E47-I49 PolarHBondContact O-N 3.42Å; I49-E51 WeakPolarHBondContact CG2-O 3.42Å; I49-F63 HydrophobicContact CD1-CB 4.44Å; I49-F63 HydrophobicContact CD1-CD1 3.7Å; I49-F63 HydrophobicContact CD1-CE1 4.23Å; I49-F63 HydrophobicContact CD1-CG 4.26Å; I49-F63 HydrophobicContact CG2-CB 4.46Å; I49-F63 HydrophobicContact CG2-CD1 4.09Å; I49-V65 HydrophobicContact CG1-CG2 4.33Å; I49-Y192 HydrophobicContact CB-CD1 4.32Å; I49-Y192 HydrophobicContact CD1-CD1 3.47Å; I49-Y192 VanDerWaalsContact CD1-CD1 3.47Å; I49-Y192 HydrophobicContact CD1-CD2 4.19Å; I49-Y192 HydrophobicContact CD1-CE1 3.78Å; I49-Y192 HydrophobicContact CD1-CE2 4.49Å; I49-Y192 HydrophobicContact CD1-CG 3.68Å; I49-Y192 HydrophobicContact CG1-CD1 3.91Å; I49-Y192 HydrophobicContact CG1-CE1 4.25Å
50	K	86.4	Confident	84.9	Confident	141 Å²	141	64.9 Å²	64.9	61%	0.613	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	-39.1	-178.9	-179.6	-175.8	176.1	-176	0	112.1	S48 V64 T82	S48-K50 PolarHBondContact O-N 3.03Å; K50-V64 HydrophobicContact CB-CG1 4.27Å; K50-V64 HydrophobicContact CD-CG1 4.23Å; K50-V64 PolarHBondContact N-O 3.14Å; K50-T82 HydrophobicContact CD-CG2 3.81Å
51	E	90.8	Very high	85.5	Confident	87 Å²	87	57.6 Å²	57.6	41%	0.407	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145.6	-179.5	-171.2	-169.9	146.1	0	0	108.9	I49 R53 V64	I49-E51 WeakPolarHBondContact CG2-O 3.42Å; E51-R53 WeakPolarHBondContact OE1-CD 3.26Å; E51-R53 IonicContact OE1-CZ 2.68Å; E51-R53 IonicContact OE1-NE 2.77Å; E51-R53 IonicContact OE1-NH1 3.3Å; E51-R53 PolarHBondContact OE1-NH1 3.36Å; E51-R53 IonicContact OE2-NH1 3.12Å; E51-V64 HydrophobicContact CB-CB 3.99Å; E51-V64 HydrophobicContact CB-CG2 4Å; E51-V64 PolarHBondContact N-O 3.14Å; E51-V64 PolarHBondContact O-N 2.67Å
52	A	92.4	Very high	86.2	Confident	6 Å²	6	50.6 Å²	50.6	5%	0.05	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.9	167.8	0	0	0	0	0	110	E62 F63 V190	A52-E62 WeakPolarHBondContact CA-O 3.47Å; A52-F63 HydrophobicContact CB-CD1 3.52Å; A52-F63 HydrophobicContact CB-CE1 3.75Å; A52-V190 HydrophobicContact CB-CG2 3.81Å; A52-V190 PolarHBondContact O-N 2.8Å; A52-V190 VanDerWaalsContact O-O 3.11Å
53	R	94.2	Very high	86.8	Confident	63 Å²	63	46.6 Å²	46.6	24%	0.238	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149	-176.9	59.4	-179.7	-179.6	-136.3	6.2	112.5	E51 E62 W187 C188	E51-R53 WeakPolarHBondContact OE1-CD 3.26Å; E51-R53 IonicContact OE1-CZ 2.68Å; E51-R53 IonicContact OE1-NE 2.77Å; E51-R53 IonicContact OE1-NH1 3.3Å; E51-R53 PolarHBondContact OE1-NH1 3.36Å; E51-R53 IonicContact OE2-NH1 3.12Å; R53-E62 HydrophobicContact CG-CB 3.96Å; R53-E62 IonicContact CZ-OE2 3.82Å; R53-E62 PolarHBondContact N-O 3.13Å; R53-E62 IonicContact NE-OE2 2.72Å; R53-E62 PolarHBondContact NE-OE2 3.24Å; R53-E62 IonicContact NH2-OE2 3.28Å; R53-E62 PolarHBondContact NH2-OE2 3.01Å; R53-E62 PolarHBondContact O-N 3.23Å; R53-W187 HydrophobicContact CB-CB 4.49Å; R53-W187 HydrophobicContact CB-CD2 4.39Å; R53-W187 HydrophobicContact CB-CE3 3.89Å; R53-W187 HydrophobicContact CB-CZ3 4.49Å; R53-W187 HydrophobicContact CG-CD2 3.94Å; R53-W187 HydrophobicContact CG-CE3 3.59Å; R53-W187 HydrophobicContact CG-CG 4.49Å; R53-W187 HydrophobicContact CG-CZ3 3.91Å; R53-C188 CarbonylContact C-O 3.58Å; R53-C188 VanDerWaalsContact CA-O 3.31Å; R53-C188 WeakPolarHBondContact CA-O 3.37Å
54	I	92.8	Very high	87.2	Confident	21 Å²	21	45.2 Å²	45.2	11%	0.108	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.6	-175.3	-163.9	173	0	0	0	111.7	L31 P56 L60 L61 C188 V190	L31-I54 HydrophobicContact CD1-CD1 3.83Å; I54-P56 HydrophobicContact CG2-CG 4.07Å; I54-L60 CarbonylContact C-O 3.52Å; I54-L60 VanDerWaalsContact CA-O 3.25Å; I54-L60 WeakPolarHBondContact CA-O 3.09Å; I54-L60 WeakPolarHBondContact CG1-O 3.44Å; I54-L61 HydrophobicContact CB-CD1 4.06Å; I54-L61 HydrophobicContact CD1-CD1 4.41Å; I54-L61 HydrophobicContact CG1-CB 4.4Å; I54-L61 HydrophobicContact CG1-CD1 4.26Å; I54-C188 HydrophobicContact CG2-CB 4.13Å; I54-C188 PolarHBondContact N-O 3.31Å; I54-C188 PolarHBondContact O-N 3.37Å; I54-V190 HydrophobicContact CB-CG1 4.47Å; I54-V190 HydrophobicContact CG2-CG1 3.63Å
55	K	90.3	Very high	87.4	Confident	13 Å²	13	45.2 Å²	45.2	6%	0.057	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	93.5	164.2	-54.1	-158.9	-177.7	-163.7	0	108.8	N57 L58 D59 L60 Q182 A185 W187	K55-N57 PolarHBondContact O-N 2.86Å; K55-L58 HydrophobicContact CB-CB 4.35Å; K55-L58 HydrophobicContact CB-CD1 4.47Å; K55-L58 HydrophobicContact CD-CD1 4.32Å; K55-L58 PolarHBondContact O-N 2.82Å; K55-D59 PolarHBondContact O-N 3.24Å; K55-D59 VanDerWaalsContact O-N 3.13Å; K55-L60 HydrophobicContact CB-CB 4.31Å; K55-L60 HydrophobicContact CD-CD2 4.35Å; K55-L60 PolarHBondContact N-O 3.14Å; K55-Q182 PolarHBondContact NZ-O 3.17Å; K55-A185 HydrophobicContact CD-CB 3.95Å; K55-A185 WeakPolarHBondContact CD-O 3.42Å; K55-A185 WeakPolarHBondContact CE-O 3.48Å; K55-A185 PolarHBondContact NZ-O 3.43Å; K55-W187 HydrophobicContact CD-CD2 4.25Å; K55-W187 HydrophobicContact CD-CE3 4.31Å; K55-W187 HydrophobicContact CG-CD2 3.88Å; K55-W187 HydrophobicContact CG-CE3 3.48Å; K55-W187 VanDerWaalsContact CG-CE3 3.48Å; K55-W187 HydrophobicContact CG-CH2 4.25Å; K55-W187 HydrophobicContact CG-CZ3 3.69Å
56	P	82.7	Confident	87.4	Confident	51 Å²	51	49.9 Å²	49.9	33%	0.331	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.5	-166.3	-26.9	34.9	0	0	0	117.2	I54 R112	I54-P56 HydrophobicContact CG2-CG 4.07Å; P56-R112 PolarHBondContact O-NH2 3.13Å
57	N	81.4	Confident	87	Confident	157 Å²	157	46.1 Å²	46.1	84%	0.84	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.2	-179.5	-61.7	-3.5	0	0	0	113.2	K55	K55-N57 PolarHBondContact O-N 2.86Å
58	L	81.5	Confident	86.2	Confident	34 Å²	34	48.1 Å²	48.1	18%	0.178	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	1.1	179.7	-58.8	174.4	0	0	0	111.6	K55 L60 F178 Q182 A185	K55-L58 HydrophobicContact CB-CB 4.35Å; K55-L58 HydrophobicContact CB-CD1 4.47Å; K55-L58 HydrophobicContact CD-CD1 4.32Å; K55-L58 PolarHBondContact O-N 2.82Å; L58-L60 HydrophobicContact CB-CB 4.46Å; L58-L60 PolarHBondContact O-N 3.35Å; L58-F178 HydrophobicContact CD2-CE2 4.23Å; L58-Q182 HydrophobicContact CD1-CB 4.26Å; L58-Q182 HydrophobicContact CD1-CG 4.29Å; L58-A185 HydrophobicContact CD1-CB 3.82Å
59	D	83.1	Confident	84.9	Confident	24 Å²	24	55.1 Å²	55.1	13%	0.128	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.1	28.7	-171.1	-63.1	-37	0	0	0	114.6	L31 K55 S87 T89 R112 L115	L31-D59 HydrophobicContact CD2-CB 4.48Å; K55-D59 PolarHBondContact O-N 3.24Å; K55-D59 VanDerWaalsContact O-N 3.13Å; D59-S87 PolarHBondContact O-OG 2.73Å; D59-T89 HydrophobicContact CB-CG2 4.36Å; D59-R112 VanDerWaalsContact CG-NE 3.33Å; D59-R112 IonicContact OD1-CZ 3.64Å; D59-R112 VanDerWaalsContact OD1-CZ 3.24Å; D59-R112 IonicContact OD1-NE 3.6Å; D59-R112 PolarHBondContact OD1-NE 2.74Å; D59-R112 IonicContact OD1-NH2 3.74Å; D59-R112 PolarHBondContact OD1-NH2 2.73Å; D59-R112 VanDerWaalsContact OD1-NH2 3.16Å; D59-R112 VanDerWaalsContact OD2-CD 3.26Å; D59-R112 WeakPolarHBondContact OD2-CD 3.38Å; D59-R112 IonicContact OD2-NE 3.5Å; D59-R112 PolarHBondContact OD2-NE 2.95Å; D59-L115 HydrophobicContact CB-CD1 4.35Å; D59-L115 HydrophobicContact CB-CD2 3.97Å; D59-L115 WeakPolarHBondContact O-CD1 3.39Å; D59-L115 WeakPolarHBondContact O-CD2 3.48Å
60	L	88.5	Confident	83	Confident	16 Å²	16	56 Å²	56	8%	0.084	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.1	175.6	-174.2	70.4	0	0	0	109.7	I54 K55 L58 R86 S87 Q182 W187	I54-L60 CarbonylContact C-O 3.52Å; I54-L60 VanDerWaalsContact CA-O 3.25Å; I54-L60 WeakPolarHBondContact CA-O 3.09Å; I54-L60 WeakPolarHBondContact CG1-O 3.44Å; K55-L60 HydrophobicContact CB-CB 4.31Å; K55-L60 HydrophobicContact CD-CD2 4.35Å; K55-L60 PolarHBondContact N-O 3.14Å; L58-L60 HydrophobicContact CB-CB 4.46Å; L58-L60 PolarHBondContact O-N 3.35Å; L60-R86 HydrophobicContact CD1-CG 3.97Å; L60-S87 WeakPolarHBondContact CA-OG 3.38Å; L60-S87 WeakPolarHBondContact CD1-O 3.21Å; L60-Q182 HydrophobicContact CD2-CG 4.01Å; L60-W187 HydrophobicContact CD2-CH2 3.58Å; L60-W187 HydrophobicContact CD2-CZ2 4.03Å; L60-W187 HydrophobicContact CD2-CZ3 4.38Å; L60-W187 HydrophobicContact CG-CH2 3.82Å; L60-W187 HydrophobicContact CG-CZ3 4.36Å
61	L	92.7	Very high	80.9	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.052	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.9	-174.9	176.5	64.4	0	0	0	109.4	L33 I54 F63 R86 S87 L115 V190	L33-L61 HydrophobicContact CD1-CD2 4.01Å; L33-L61 HydrophobicContact CD2-CD2 3.66Å; I54-L61 HydrophobicContact CB-CD1 4.06Å; I54-L61 HydrophobicContact CD1-CD1 4.41Å; I54-L61 HydrophobicContact CG1-CB 4.4Å; I54-L61 HydrophobicContact CG1-CD1 4.26Å; L61-F63 HydrophobicContact CD1-CE2 4.28Å; L61-F63 HydrophobicContact CD1-CZ 4.15Å; L61-F63 HydrophobicContact CD2-CE2 3.59Å; L61-F63 HydrophobicContact CD2-CZ 3.83Å; L61-F63 HydrophobicContact CG-CD2 4.39Å; L61-F63 HydrophobicContact CG-CE2 3.77Å; L61-F63 HydrophobicContact CG-CZ 4.11Å; L61-R86 CarbonylContact O-C 3.57Å; L61-R86 WeakPolarHBondContact O-CA 3.18Å; L61-S87 PolarHBondContact N-OG 2.85Å; L61-S87 PolarHBondContact O-N 3.24Å; L61-L115 HydrophobicContact CB-CD1 4.32Å; L61-V190 HydrophobicContact CD1-CG2 4.46Å
62	E	93.1	Very high	78.5	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.019	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.4	177.5	-81.5	-178.6	171.9	0	0	111.2	A52 R53 L84 L85 R86 W187	A52-E62 WeakPolarHBondContact CA-O 3.47Å; R53-E62 HydrophobicContact CG-CB 3.96Å; R53-E62 IonicContact CZ-OE2 3.82Å; R53-E62 PolarHBondContact N-O 3.13Å; R53-E62 IonicContact NE-OE2 2.72Å; R53-E62 PolarHBondContact NE-OE2 3.24Å; R53-E62 IonicContact NH2-OE2 3.28Å; R53-E62 PolarHBondContact NH2-OE2 3.01Å; R53-E62 PolarHBondContact O-N 3.23Å; E62-L84 HydrophobicContact CB-CD1 3.97Å; E62-L84 HydrophobicContact CG-CD1 4.04Å; E62-L85 CarbonylContact C-O 3.53Å; E62-L85 VanDerWaalsContact CA-O 3.28Å; E62-L85 WeakPolarHBondContact CA-O 3.19Å; E62-R86 HydrophobicContact CG-CB 4.11Å; E62-R86 HydrophobicContact CG-CG 4.05Å; E62-R86 IonicContact OE1-CZ 3.92Å; E62-R86 IonicContact OE1-NE 3.73Å; E62-R86 PolarHBondContact OE1-NE 2.71Å; E62-R86 IonicContact OE1-NH2 2.72Å; E62-R86 PolarHBondContact OE1-NH2 3.15Å; E62-W187 HydrophobicContact CB-CH2 4.09Å; E62-W187 HydrophobicContact CB-CZ3 4.36Å; E62-W187 VanDerWaalsContact CD-CZ2 3.44Å; E62-W187 HydrophobicContact CG-CH2 3.62Å; E62-W187 HydrophobicContact CG-CZ2 4.21Å; E62-W187 HydrophobicContact CG-CZ3 4.34Å; E62-W187 WeakPolarHBondContact OE2-CH2 3.2Å; E62-W187 VanDerWaalsContact OE2-CZ2 3.26Å; E62-W187 WeakPolarHBondContact OE2-CZ2 3.44Å
63	F	91.5	Very high	76.3	Confident	10 Å²	10	60.9 Å²	60.9	4%	0.044	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.6	171	-62.4	-81.2	0	0	0	109.9	L33 L44 I49 A52 L61 V65 L85 L117 Y192	L33-F63 HydrophobicContact CD1-CZ 4.49Å; L44-F63 HydrophobicContact CD1-CD2 4.43Å; L44-F63 HydrophobicContact CD1-CE2 4.32Å; I49-F63 HydrophobicContact CD1-CB 4.44Å; I49-F63 HydrophobicContact CD1-CD1 3.7Å; I49-F63 HydrophobicContact CD1-CE1 4.23Å; I49-F63 HydrophobicContact CD1-CG 4.26Å; I49-F63 HydrophobicContact CG2-CB 4.46Å; I49-F63 HydrophobicContact CG2-CD1 4.09Å; A52-F63 HydrophobicContact CB-CD1 3.52Å; A52-F63 HydrophobicContact CB-CE1 3.75Å; L61-F63 HydrophobicContact CD1-CE2 4.28Å; L61-F63 HydrophobicContact CD1-CZ 4.15Å; L61-F63 HydrophobicContact CD2-CE2 3.59Å; L61-F63 HydrophobicContact CD2-CZ 3.83Å; L61-F63 HydrophobicContact CG-CD2 4.39Å; L61-F63 HydrophobicContact CG-CE2 3.77Å; L61-F63 HydrophobicContact CG-CZ 4.11Å; F63-V65 HydrophobicContact CB-CG2 4.27Å; F63-L85 HydrophobicContact CB-CB 4.31Å; F63-L85 PolarHBondContact N-O 3.16Å; F63-L85 PolarHBondContact O-N 2.93Å; F63-L117 HydrophobicContact CD2-CD1 4.26Å; F63-L117 HydrophobicContact CD2-CD2 4.08Å; F63-L117 HydrophobicContact CE2-CD1 3.92Å; F63-L117 HydrophobicContact CE2-CD2 4.13Å; F63-Y192 HydrophobicContact CE1-CD2 4.13Å; F63-Y192 HydrophobicContact CE1-CG 4.45Å
64	V	90.4	Very high	73.4	Confident	21 Å²	21	66.5 Å²	66.5	13%	0.127	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.6	167.9	-177	0	0	0	0	107.5	K50 E51 T82 L84	K50-V64 HydrophobicContact CB-CG1 4.27Å; K50-V64 HydrophobicContact CD-CG1 4.23Å; K50-V64 PolarHBondContact N-O 3.14Å; E51-V64 HydrophobicContact CB-CB 3.99Å; E51-V64 HydrophobicContact CB-CG2 4Å; E51-V64 PolarHBondContact N-O 3.14Å; E51-V64 PolarHBondContact O-N 2.67Å; V64-T82 HydrophobicContact CG1-CG2 3.91Å; V64-L84 HydrophobicContact CG2-CD1 4.13Å
65	V	87.8	Confident	70.9	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.7	-177.4	-172.1	0	0	0	0	109.1	E47 I49 F63 T82 Y83 L85	E47-V65 HydrophobicContact CB-CG1 3.78Å; E47-V65 HydrophobicContact CG-CG1 4.33Å; I49-V65 HydrophobicContact CG1-CG2 4.33Å; F63-V65 HydrophobicContact CB-CG2 4.27Å; V65-T82 CarbonylContact O-C 3.57Å; V65-T82 WeakPolarHBondContact O-CA 3.49Å; V65-T82 WeakPolarHBondContact O-CB 3.31Å; V65-Y83 HydrophobicContact CB-CD2 4.17Å; V65-Y83 HydrophobicContact CB-CE1 4.16Å; V65-Y83 HydrophobicContact CB-CE2 3.71Å; V65-Y83 HydrophobicContact CG1-CE1 4.13Å; V65-Y83 HydrophobicContact CG1-CE2 4.2Å; V65-Y83 HydrophobicContact CG2-CE2 3.96Å; V65-Y83 PolarHBondContact N-O 3.34Å; V65-Y83 PolarHBondContact O-N 2.96Å; V65-L85 HydrophobicContact CG2-CD1 4.09Å; V65-L85 HydrophobicContact CG2-CG 4.4Å
66	R	82	Confident	68.4	Low	139 Å²	139	77.2 Å²	77.2	53%	0.525	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.8	171.1	-93.5	-176	-76.9	-168.6	-5.9	111.2	S48 D81 T82	S48-R66 PolarHBondContact O-N 3.45Å; S48-R66 WeakPolarHBondContact OG-CB 3.45Å; R66-D81 CarbonylContact C-O 3.59Å; R66-D81 VanDerWaalsContact CA-O 3.24Å; R66-D81 WeakPolarHBondContact CA-O 3.39Å; R66-T82 HydrophobicContact CB-CG2 4.45Å; R66-T82 HydrophobicContact CG-CG2 3.68Å
67	D	71.4	Confident	66.5	Low	52 Å²	52	78 Å²	78	28%	0.278	46%	0.458	S	S	.	.			trans	-81.7	122.5	168.7	-165	-9.6	0	0	0	108.6	R69 D81 Y83	D67-R69 PolarHBondContact O-N 2.95Å; D67-R69 WeakPolarHBondContact OD1-CD 3.33Å; D67-R69 WeakPolarHBondContact OD1-CG 3.44Å; D67-R69 IonicContact OD1-NE 3.29Å; D67-R69 IonicContact OD2-NH1 3.97Å; D67-D81 PolarHBondContact N-O 2.89Å; D67-Y83 HydrophobicContact CB-CD1 4.13Å; D67-Y83 HydrophobicContact CB-CE1 4.4Å
68	G	64.2	Low	64.7	Low	76 Å²	76	79.1 Å²	79.1	78%	0.784	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	26.5	-172.4	0	0	0	0	0	114.8
69	R	57.4	Low	63.1	Low	197 Å²	197	83.6 Å²	83.6	74%	0.743	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-6.4	-167.5	-73.3	175.9	170.8	153.2	-6.7	115.1	D67 S71	D67-R69 PolarHBondContact O-N 2.95Å; D67-R69 WeakPolarHBondContact OD1-CD 3.33Å; D67-R69 WeakPolarHBondContact OD1-CG 3.44Å; D67-R69 IonicContact OD1-NE 3.29Å; D67-R69 IonicContact OD2-NH1 3.97Å; R69-S71 VanDerWaalsContact C-N 3.3Å; R69-S71 PolarHBondContact O-N 3.01Å
70	S	48	Very low	61.9	Low	54 Å²	54	87.6 Å²	87.6	38%	0.378	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	65.4	-178.2	48	0	0	0	0	113.7	D81	S70-D81 VanDerWaalsContact CB-CG 3.48Å; S70-D81 WeakPolarHBondContact CB-OD1 3.41Å; S70-D81 WeakPolarHBondContact CB-OD2 3.4Å; S70-D81 PolarHBondContact OG-OD1 3.44Å; S70-D81 PolarHBondContact OG-OD2 2.98Å
71	S	42.2	Very low	61.3	Low	116 Å²	116	90 Å²	90	81%	0.811	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.8	-4.9	173.2	64.2	0	0	0	0	116.3	R69	R69-S71 VanDerWaalsContact C-N 3.3Å; R69-S71 PolarHBondContact O-N 3.01Å
72	C	40	Very low	60.9	Low	114 Å²	114	91.1 Å²	91.1	77%	0.77	52%	0.519	S	S	*	.	S	Bend	trans	-136.1	4.4	-168.3	-156.9	0	0	0	0	116.1
73	V	46.4	Very low	60.5	Low	106 Å²	106	93.7 Å²	93.7	64%	0.642	53%	0.529	S	S	*	.			trans	-139	106.3	176.5	-173.9	0	0	0	0	110.5	Q79	V73-Q79 PolarHBondContact O-NE2 3.24Å
74	E	35	Very low	60.4	Low	182 Å²	182	94.5 Å²	94.5	85%	0.85	53%	0.533	S	S	*	.			trans	-78.1	156.8	162.6	-66.1	-172.1	142.1	0	0	110.9
75	S	40.2	Very low	60.4	Low	110 Å²	110	93.6 Å²	93.6	77%	0.769	53%	0.528	S	S	*	.	S	Bend	trans	90.8	136	164.4	83.3	0	0	0	0	119.9
76	V	36.2	Very low	60.6	Low	148 Å²	148	96.8 Å²	96.8	90%	0.897	54%	0.54	S	S	*	.	S	Bend	trans	62.1	64.9	163	-153.9	0	0	0	0	118.1
77	G	42.7	Very low	61.1	Low	68 Å²	68	90.2 Å²	90.2	70%	0.701	52%	0.515	S	S	*	.	S	Bend	trans	169.2	154.4	160.3	0	0	0	0	0	112.3	Q79	G77-Q79 PolarHBondContact O-N 3.41Å
78	E	43.7	Very low	61.9	Low	181 Å²	181	92.1 Å²	92.1	85%	0.846	53%	0.526	S	S	*	.			trans	-66.4	102.4	165.1	-71.3	-177.3	118.6	0	0	107.9	I80	E78-I80 WeakPolarHBondContact O-CG1 3.4Å; E78-I80 PolarHBondContact O-N 2.87Å
79	Q	49.5	Very low	63	Low	128 Å²	128	92 Å²	92	60%	0.598	51%	0.51	S	S	*	.			trans	-76.3	100.1	-170.6	-156.4	162.2	38.4	0	0	109.6	V73 G77 D81	V73-Q79 PolarHBondContact O-NE2 3.24Å; G77-Q79 PolarHBondContact O-N 3.41Å; Q79-D81 PolarHBondContact O-N 2.9Å
80	I	57.8	Low	64.3	Low	108 Å²	108	85.4 Å²	85.4	55%	0.554	49%	0.491	S	S	*	.			trans	-80.6	85.3	-177.3	-48.1	-176.9	0	0	0	109.3	E78 T82	E78-I80 WeakPolarHBondContact O-CG1 3.4Å; E78-I80 PolarHBondContact O-N 2.87Å; I80-T82 VanDerWaalsContact CG2-O 3.31Å; I80-T82 WeakPolarHBondContact CG2-O 3.49Å; I80-T82 PolarHBondContact O-N 3.01Å
81	D	75.3	Confident	66	Low	65 Å²	65	88.2 Å²	88.2	35%	0.348	51%	0.506	S	S	.	.			trans	-59.1	7.1	176.5	-85.8	30.2	0	0	0	115.6	R66 D67 S70 Q79	R66-D81 CarbonylContact C-O 3.59Å; R66-D81 VanDerWaalsContact CA-O 3.24Å; R66-D81 WeakPolarHBondContact CA-O 3.39Å; D67-D81 PolarHBondContact N-O 2.89Å; S70-D81 VanDerWaalsContact CB-CG 3.48Å; S70-D81 WeakPolarHBondContact CB-OD1 3.41Å; S70-D81 WeakPolarHBondContact CB-OD2 3.4Å; S70-D81 PolarHBondContact OG-OD1 3.44Å; S70-D81 PolarHBondContact OG-OD2 2.98Å; Q79-D81 PolarHBondContact O-N 2.9Å
82	T	83.9	Confident	67.4	Low	34 Å²	34	87.1 Å²	87.1	21%	0.209	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.7	-177.9	54.5	0	0	0	0	113.2	K50 V64 V65 R66 I80	K50-T82 HydrophobicContact CD-CG2 3.81Å; V64-T82 HydrophobicContact CG1-CG2 3.91Å; V65-T82 CarbonylContact O-C 3.57Å; V65-T82 WeakPolarHBondContact O-CA 3.49Å; V65-T82 WeakPolarHBondContact O-CB 3.31Å; R66-T82 HydrophobicContact CB-CG2 4.45Å; R66-T82 HydrophobicContact CG-CG2 3.68Å; I80-T82 VanDerWaalsContact CG2-O 3.31Å; I80-T82 WeakPolarHBondContact CG2-O 3.49Å; I80-T82 PolarHBondContact O-N 3.01Å
83	Y	85.9	Confident	68.8	Low	58 Å²	58	87.2 Å²	87.2	23%	0.227	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	158.7	166.4	62.4	-95.1	0	0	0	111.9	R38 E47 V65 D67 L85 T119	R38-Y83 PolarHBondContact NH2-OH 2.94Å; E47-Y83 VanDerWaalsContact CD-OH 3.28Å; E47-Y83 PolarHBondContact OE1-OH 3.3Å; E47-Y83 PolarHBondContact OE2-OH 2.83Å; V65-Y83 HydrophobicContact CB-CD2 4.17Å; V65-Y83 HydrophobicContact CB-CE1 4.16Å; V65-Y83 HydrophobicContact CB-CE2 3.71Å; V65-Y83 HydrophobicContact CG1-CE1 4.13Å; V65-Y83 HydrophobicContact CG1-CE2 4.2Å; V65-Y83 HydrophobicContact CG2-CE2 3.96Å; V65-Y83 PolarHBondContact N-O 3.34Å; V65-Y83 PolarHBondContact O-N 2.96Å; D67-Y83 HydrophobicContact CB-CD1 4.13Å; D67-Y83 HydrophobicContact CB-CE1 4.4Å; Y83-L85 HydrophobicContact CD2-CD2 4.17Å; Y83-L85 HydrophobicContact CD2-CG 4.23Å; Y83-L85 HydrophobicContact CE2-CD1 4.36Å; Y83-L85 HydrophobicContact CE2-CD2 3.94Å; Y83-L85 HydrophobicContact CE2-CG 3.97Å; Y83-T119 HydrophobicContact CD2-CG2 4.2Å
84	L	89.1	Confident	69.9	Low	27 Å²	27	94.1 Å²	94.1	14%	0.141	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.4	179.3	178.2	67.2	0	0	0	109.9	E62 V64 C120	E62-L84 HydrophobicContact CB-CD1 3.97Å; E62-L84 HydrophobicContact CG-CD1 4.04Å; V64-L84 HydrophobicContact CG2-CD1 4.13Å; L84-C120 HydrophobicContact CB-CB 4.14Å; L84-C120 HydrophobicContact CD2-CB 4.04Å; L84-C120 HydrophobicContact CG-CB 4.2Å; L84-C120 PolarHBondContact O-N 3.3Å
85	L	90.1	Very high	71.9	Confident	3 Å²	3	87.6 Å²	87.6	2%	0.016	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.7	162.3	-58.4	174.7	0	0	0	108.7	L44 E62 F63 V65 Y83 D118 T119	L44-L85 HydrophobicContact CD2-CD1 3.72Å; E62-L85 CarbonylContact C-O 3.53Å; E62-L85 VanDerWaalsContact CA-O 3.28Å; E62-L85 WeakPolarHBondContact CA-O 3.19Å; F63-L85 HydrophobicContact CB-CB 4.31Å; F63-L85 PolarHBondContact N-O 3.16Å; F63-L85 PolarHBondContact O-N 2.93Å; V65-L85 HydrophobicContact CG2-CD1 4.09Å; V65-L85 HydrophobicContact CG2-CG 4.4Å; Y83-L85 HydrophobicContact CD2-CD2 4.17Å; Y83-L85 HydrophobicContact CD2-CG 4.23Å; Y83-L85 HydrophobicContact CE2-CD1 4.36Å; Y83-L85 HydrophobicContact CE2-CD2 3.94Å; Y83-L85 HydrophobicContact CE2-CG 3.97Å; L85-D118 WeakPolarHBondContact CA-O 3.29Å; L85-T119 WeakPolarHBondContact CD2-OG1 3.39Å
86	R	91.6	Very high	74.1	Confident	67 Å²	67	87 Å²	87	25%	0.253	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.4	177.1	-179.8	-177.8	-74.2	150.5	2.3	109.7	L60 L61 E62 L117 D118 C120 E122	L60-R86 HydrophobicContact CD1-CG 3.97Å; L61-R86 CarbonylContact O-C 3.57Å; L61-R86 WeakPolarHBondContact O-CA 3.18Å; E62-R86 HydrophobicContact CG-CB 4.11Å; E62-R86 HydrophobicContact CG-CG 4.05Å; E62-R86 IonicContact OE1-CZ 3.92Å; E62-R86 IonicContact OE1-NE 3.73Å; E62-R86 PolarHBondContact OE1-NE 2.71Å; E62-R86 IonicContact OE1-NH2 2.72Å; E62-R86 PolarHBondContact OE1-NH2 3.15Å; R86-L117 WeakPolarHBondContact O-CA 3.32Å; R86-D118 PolarHBondContact N-O 3.2Å; R86-D118 PolarHBondContact O-N 3.27Å; R86-C120 WeakPolarHBondContact CB-SG 3.44Å; R86-E122 IonicContact CZ-OE2 2.72Å; R86-E122 IonicContact NH1-OE2 2.68Å; R86-E122 PolarHBondContact NH1-OE2 3.36Å; R86-E122 IonicContact NH2-OE2 3.24Å
87	S	92.5	Very high	76.6	Confident	1 Å²	1	83 Å²	83	1%	0.007	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	148.4	173.4	67.7	0	0	0	0	112.2	D59 L60 L61 V116	D59-S87 PolarHBondContact O-OG 2.73Å; L60-S87 WeakPolarHBondContact CA-OG 3.38Å; L60-S87 WeakPolarHBondContact CD1-O 3.21Å; L61-S87 PolarHBondContact N-OG 2.85Å; L61-S87 PolarHBondContact O-N 3.24Å; S87-V116 CarbonylContact C-O 3.59Å; S87-V116 WeakPolarHBondContact CA-O 3.4Å
88	N	88.1	Confident	78.8	Confident	92 Å²	92	81.7 Å²	81.7	49%	0.492	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.9	156.5	-60.2	-83.9	0	0	0	107.9	V116	N88-V116 PolarHBondContact N-O 3.43Å; N88-V116 PolarHBondContact O-N 3.29Å
89	T	87.6	Confident	81.1	Confident	74 Å²	74	74.7 Å²	74.7	45%	0.454	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138	175.3	41.1	0	0	0	0	110.7	D59 L115	D59-T89 HydrophobicContact CB-CG2 4.36Å; T89-L115 HydrophobicContact CG2-CD2 3.65Å
90	V	85.4	Confident	83.1	Confident	57 Å²	57	74 Å²	74	35%	0.345	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.7	173.4	177	0	0	0	0	108.8	F92 D113 A114 V116	V90-F92 HydrophobicContact CB-CE2 4.17Å; V90-F92 HydrophobicContact CG1-CD2 4.05Å; V90-F92 HydrophobicContact CG1-CE2 3.65Å; V90-F92 HydrophobicContact CG1-CZ 4.45Å; V90-F92 WeakPolarHBondContact O-CD2 3.49Å; V90-F92 PolarHBondContact O-N 3.32Å; V90-D113 WeakPolarHBondContact O-CB 3.35Å; V90-A114 PolarHBondContact N-O 3.27Å; V90-A114 PolarHBondContact O-N 2.58Å; V90-V116 HydrophobicContact CB-CG2 4.2Å; V90-V116 HydrophobicContact CG2-CB 4.21Å; V90-V116 HydrophobicContact CG2-CG2 3.54Å
91	T	82.8	Confident	84.6	Confident	113 Å²	113	69.9 Å²	69.9	69%	0.693	36%	0.362	S	S	*	.			trans	-70.5	124.1	178.5	43.6	0	0	0	0	111	D113	T91-D113 WeakPolarHBondContact CA-OD1 3.4Å; T91-D113 WeakPolarHBondContact CG2-OD2 3.38Å
92	F	72.2	Confident	85.2	Confident	93 Å²	93	73.4 Å²	73.4	41%	0.408	38%	0.381	S	S	.	.			trans	-114.1	139.5	175.6	-86.7	-93.9	0	0	0	111	L34 V90 R94 T95 A114	L34-F92 HydrophobicContact CD1-CE2 3.97Å; L34-F92 HydrophobicContact CD1-CZ 4.02Å; V90-F92 HydrophobicContact CB-CE2 4.17Å; V90-F92 HydrophobicContact CG1-CD2 4.05Å; V90-F92 HydrophobicContact CG1-CE2 3.65Å; V90-F92 HydrophobicContact CG1-CZ 4.45Å; V90-F92 WeakPolarHBondContact O-CD2 3.49Å; V90-F92 PolarHBondContact O-N 3.32Å; F92-R94 PolarHBondContact O-N 3.13Å; F92-R94 VanDerWaalsContact O-N 3.1Å; F92-T95 HydrophobicContact CB-CG2 3.98Å; F92-T95 HydrophobicContact CD1-CG2 4.4Å; F92-A114 HydrophobicContact CD2-CB 3.49Å; F92-A114 VanDerWaalsContact CD2-CB 3.49Å; F92-A114 HydrophobicContact CE2-CB 3.56Å
93	P	69.6	Low	85.3	Confident	117 Å²	117	75.7 Å²	75.7	76%	0.76	39%	0.391	S	S	*	.	S	Bend	trans	-70.1	108.7	179	28.2	-33.7	0	0	0	111	T95	P93-T95 PolarHBondContact O-N 3.46Å; P93-T95 VanDerWaalsContact O-N 3.13Å
94	R	68.2	Low	85.6	Confident	251 Å²	251	76.3 Å²	76.3	95%	0.947	40%	0.396	S	S	*	.	S	Bend	trans	27.5	67.1	171.8	-71.4	-169.2	177.8	-175.1	1.1	114.7	F92	F92-R94 PolarHBondContact O-N 3.13Å; F92-R94 VanDerWaalsContact O-N 3.1Å
95	T	76.5	Confident	85.7	Confident	44 Å²	44	75.7 Å²	75.7	27%	0.27	39%	0.394	S	S	.	.			trans	-78.8	142.7	-179.7	41.1	0	0	0	0	112.6	F92 P93 L110	F92-T95 HydrophobicContact CB-CG2 3.98Å; F92-T95 HydrophobicContact CD1-CG2 4.4Å; P93-T95 PolarHBondContact O-N 3.46Å; P93-T95 VanDerWaalsContact O-N 3.13Å; T95-L110 PolarHBondContact O-N 2.87Å
96	L	86.9	Confident	85.8	Confident	97 Å²	97	75.9 Å²	75.9	51%	0.508	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.6	166.2	-55.5	-178.5	0	0	0	108.5	F107 P109	L96-F107 HydrophobicContact CB-CB 4.45Å; L96-F107 HydrophobicContact CB-CD1 3.94Å; L96-F107 HydrophobicContact CD1-CB 4.26Å; L96-F107 HydrophobicContact CD1-CD1 4Å; L96-F107 HydrophobicContact CD1-CG 4.17Å; L96-P109 HydrophobicContact CD2-CB 3.6Å; L96-P109 HydrophobicContact CD2-CG 3.94Å
97	L	88.2	Confident	85.7	Confident	65 Å²	65	75.5 Å²	75.5	34%	0.34	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.1	164.3	176.9	65	0	0	0	107.9	I30 F107 I108 L110	I30-L97 HydrophobicContact CD1-CD2 4.33Å; I30-L97 HydrophobicContact CG2-CD2 4.37Å; L97-F107 CarbonylContact O-C 3.47Å; L97-F107 WeakPolarHBondContact O-CA 3.42Å; L97-I108 PolarHBondContact N-O 3.01Å; L97-I108 PolarHBondContact O-N 3.39Å; L97-L110 HydrophobicContact CB-CD1 4.47Å; L97-L110 HydrophobicContact CB-CD2 4.07Å; L97-L110 HydrophobicContact CB-CG 4.33Å
98	G	90.3	Very high	85.6	Confident	40 Å²	40	75.5 Å²	75.5	41%	0.412	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.7	172.5	0	0	0	0	0	111.2
99	Y	90.7	Very high	85.5	Confident	34 Å²	34	72.8 Å²	72.8	13%	0.133	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.8	167.4	-178.1	-141.7	0	0	0	109.2	V101 H106 R204 L207 L208	Y99-V101 HydrophobicContact CD1-CG1 4.43Å; Y99-V101 HydrophobicContact CE1-CB 4.43Å; Y99-V101 HydrophobicContact CE1-CG1 4.21Å; Y99-H106 PolarHBondContact N-O 3.25Å; Y99-H106 PolarHBondContact O-N 3.27Å; Y99-R204 HydrophobicContact CE1-CB 3.93Å; Y99-L207 HydrophobicContact CD1-CB 3.98Å; Y99-L207 HydrophobicContact CD1-CD1 4.39Å; Y99-L208 HydrophobicContact CD1-CD2 3.83Å; Y99-L208 HydrophobicContact CE1-CD2 3.72Å
100	F	91.5	Very high	85.4	Confident	115 Å²	115	70.7 Å²	70.7	50%	0.504	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126	179.6	-172.3	-99.2	0	0	0	110.3	V18 D103 E104 C105	V18-F100 HydrophobicContact CG1-CE2 3.95Å; F100-D103 HydrophobicContact CZ-CB 4.49Å; F100-E104 WeakPolarHBondContact CA-O 3.44Å; F100-E104 VanDerWaalsContact CD2-O 3.28Å; F100-E104 WeakPolarHBondContact CD2-O 3.44Å; F100-C105 HydrophobicContact CD2-CB 4.17Å
101	V	89.7	Confident	85.3	Confident	21 Å²	21	74.7 Å²	74.7	13%	0.127	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	140.1	-176.5	59.1	0	0	0	0	109.3	Y99 D103 E104 F201 L208	Y99-V101 HydrophobicContact CD1-CG1 4.43Å; Y99-V101 HydrophobicContact CE1-CB 4.43Å; Y99-V101 HydrophobicContact CE1-CG1 4.21Å; V101-D103 PolarHBondContact O-N 2.8Å; V101-E104 PolarHBondContact N-O 3.23Å; V101-E104 WeakPolarHBondContact O-CA 3.38Å; V101-E104 PolarHBondContact O-N 2.97Å; V101-F201 HydrophobicContact CG2-CE2 4.28Å; V101-L208 HydrophobicContact CG1-CD2 3.7Å
102	N	87.2	Confident	85.2	Confident	139 Å²	139	72.9 Å²	72.9	74%	0.743	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	32	177.1	-57.6	-12.5	0	0	0	115.1	E104	N102-E104 PolarHBondContact O-N 3.47Å
103	D	87.9	Confident	85.8	Confident	82 Å²	82	71.5 Å²	71.5	44%	0.439	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	6.7	-172.6	-68.2	-48.3	0	0	0	117.1	K16 F100 V101	K16-D103 IonicContact NZ-OD1 3.97Å; K16-D103 PolarHBondContact NZ-OD1 2.78Å; K16-D103 IonicContact NZ-OD2 3.03Å; K16-D103 PolarHBondContact NZ-OD2 2.85Å; F100-D103 HydrophobicContact CZ-CB 4.49Å; V101-D103 PolarHBondContact O-N 2.8Å
104	E	91	Very high	86.7	Confident	70 Å²	70	66 Å²	66	33%	0.327	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	154.9	169.3	-62.3	174	-151.1	0	0	111.2	Y21 F100 V101 N102 H106	Y21-E104 HydrophobicContact CD2-CB 4.48Å; Y21-E104 HydrophobicContact CE2-CB 4.08Å; Y21-E104 HydrophobicContact CE2-CG 4.01Å; Y21-E104 WeakPolarHBondContact CE2-OE2 3.33Å; F100-E104 WeakPolarHBondContact CA-O 3.44Å; F100-E104 VanDerWaalsContact CD2-O 3.28Å; F100-E104 WeakPolarHBondContact CD2-O 3.44Å; V101-E104 PolarHBondContact N-O 3.23Å; V101-E104 WeakPolarHBondContact O-CA 3.38Å; V101-E104 PolarHBondContact O-N 2.97Å; N102-E104 PolarHBondContact O-N 3.47Å; E104-H106 IonicContact OE2-CE1 2.72Å; E104-H106 PolarHBondContact OE2-CE1 3.38Å; E104-H106 VanDerWaalsContact OE2-CE1 3.28Å; E104-H106 IonicContact OE2-NE2 3.82Å
105	C	91.6	Very high	87.8	Confident	14 Å²	14	54.1 Å²	54.1	10%	0.095	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.9	173.8	-164.6	0	0	0	0	111.7	V18 D19 C20 Y21 F100 F107	V18-C105 HydrophobicContact CG1-CB 4.22Å; D19-C105 PolarHBondContact O-N 3.19Å; C20-C105 CarbonylContact C-O 3.45Å; C20-C105 WeakPolarHBondContact CA-O 3.41Å; Y21-C105 PolarHBondContact N-O 2.87Å; F100-C105 HydrophobicContact CD2-CB 4.17Å; C105-F107 HydrophobicContact CB-CE2 4.38Å
106	H	91.3	Very high	88.5	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.032	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.6	175.2	-45.5	-81.9	0	0	0	110	Y21 Y99 E104 L208	Y21-H106 AromaticContact CD2-CE1 3.52Å; Y21-H106 AromaticContact CD2-ND1 3.42Å; Y21-H106 WeakPolarHBondContact CD2-ND1 3.5Å; Y21-H106 AromaticContact CG-ND1 3.78Å; Y99-H106 PolarHBondContact N-O 3.25Å; Y99-H106 PolarHBondContact O-N 3.27Å; E104-H106 IonicContact OE2-CE1 2.72Å; E104-H106 PolarHBondContact OE2-CE1 3.38Å; E104-H106 VanDerWaalsContact OE2-CE1 3.28Å; E104-H106 IonicContact OE2-NE2 3.82Å; H106-L208 VanDerWaalsContact CD2-CD2 3.43Å; H106-L208 WeakPolarHBondContact CD2-CD2 3.4Å
107	F	91	Very high	88.7	Confident	60 Å²	60	48.8 Å²	48.8	26%	0.263	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.1	176.5	-66.4	-74.2	0	0	0	111.5	C20 Y21 I22 S23 L96 L97 C105	C20-F107 HydrophobicContact CB-CE2 4.04Å; Y21-F107 PolarHBondContact O-N 3.19Å; I22-F107 CarbonylContact C-O 3.57Å; I22-F107 WeakPolarHBondContact CA-O 3.42Å; S23-F107 PolarHBondContact N-O 3.2Å; L96-F107 HydrophobicContact CB-CB 4.45Å; L96-F107 HydrophobicContact CB-CD1 3.94Å; L96-F107 HydrophobicContact CD1-CB 4.26Å; L96-F107 HydrophobicContact CD1-CD1 4Å; L96-F107 HydrophobicContact CD1-CG 4.17Å; L97-F107 CarbonylContact O-C 3.47Å; L97-F107 WeakPolarHBondContact O-CA 3.42Å; C105-F107 HydrophobicContact CB-CE2 4.38Å
108	I	88.9	Confident	88.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.6	169.6	-51.1	90.9	0	0	0	108.5	A25 Q27 I30 L97 L110 L207	A25-I108 WeakPolarHBondContact O-CG2 3.44Å; Q27-I108 HydrophobicContact CB-CG2 4.21Å; I30-I108 HydrophobicContact CD1-CB 4.37Å; I30-I108 HydrophobicContact CD1-CG2 3.9Å; L97-I108 PolarHBondContact N-O 3.01Å; L97-I108 PolarHBondContact O-N 3.39Å; I108-L110 PolarHBondContact O-N 3.36Å; I108-L207 HydrophobicContact CD1-CB 4.11Å; I108-L207 HydrophobicContact CD1-CD2 4.25Å
109	P	87.3	Confident	88.5	Confident	35 Å²	35	48.3 Å²	48.3	23%	0.227	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.7	177.8	-10	24.6	0	0	0	110.1	I22 Q27 L96	I22-P109 HydrophobicContact CG2-CG 3.93Å; Q27-P109 VanDerWaalsContact CG-O 3.28Å; Q27-P109 WeakPolarHBondContact CG-O 3.47Å; Q27-P109 PolarHBondContact NE2-O 3.22Å; L96-P109 HydrophobicContact CD2-CB 3.6Å; L96-P109 HydrophobicContact CD2-CG 3.94Å
110	L	86	Confident	88	Confident	31 Å²	31	48 Å²	48	16%	0.162	24%	0.243	C	C	.	.			trans	-76	127.2	-176.4	-60.2	-179.7	0	0	0	110.4	I30 L32 T95 L97 I108	I30-L110 HydrophobicContact CB-CD2 4.31Å; I30-L110 HydrophobicContact CG2-CD2 3.76Å; L32-L110 HydrophobicContact CB-CD1 4.42Å; L32-L110 HydrophobicContact CD2-CD1 4.44Å; T95-L110 PolarHBondContact O-N 2.87Å; L97-L110 HydrophobicContact CB-CD1 4.47Å; L97-L110 HydrophobicContact CB-CD2 4.07Å; L97-L110 HydrophobicContact CB-CG 4.33Å; I108-L110 PolarHBondContact O-N 3.36Å
111	K	82.3	Confident	86.7	Confident	141 Å²	141	52.6 Å²	52.6	61%	0.613	26%	0.263	S	S	*	.			trans	-100.6	-5.5	178.1	-87	-172.5	178.5	155	0	114.8	Q27	Q27-K111 HydrophobicContact CG-CB 4.04Å; Q27-K111 HydrophobicContact CG-CD 3.7Å; Q27-K111 HydrophobicContact CG-CG 3.72Å
112	R	81.3	Confident	85	Confident	75 Å²	75	58 Å²	58	28%	0.283	29%	0.286	S	S	.	.	S	Bend	trans	-113.7	153.5	176.1	-77.9	-176.4	158.8	138.4	-9.9	110.5	K28 L31 P56 D59	K28-R112 PolarHBondContact O-NH1 3.19Å; L31-R112 HydrophobicContact CD2-CB 4.42Å; P56-R112 PolarHBondContact O-NH2 3.13Å; D59-R112 VanDerWaalsContact CG-NE 3.33Å; D59-R112 IonicContact OD1-CZ 3.64Å; D59-R112 VanDerWaalsContact OD1-CZ 3.24Å; D59-R112 IonicContact OD1-NE 3.6Å; D59-R112 PolarHBondContact OD1-NE 2.74Å; D59-R112 IonicContact OD1-NH2 3.74Å; D59-R112 PolarHBondContact OD1-NH2 2.73Å; D59-R112 VanDerWaalsContact OD1-NH2 3.16Å; D59-R112 VanDerWaalsContact OD2-CD 3.26Å; D59-R112 WeakPolarHBondContact OD2-CD 3.38Å; D59-R112 IonicContact OD2-NE 3.5Å; D59-R112 PolarHBondContact OD2-NE 2.95Å
113	D	85.2	Confident	82.6	Confident	63 Å²	63	55.3 Å²	55.3	34%	0.337	28%	0.284	S	S	.	.			trans	-66.2	160.5	171.4	-69.9	-34.4	0	0	0	111.7	V90 T91	V90-D113 WeakPolarHBondContact O-CB 3.35Å; T91-D113 WeakPolarHBondContact CA-OD1 3.4Å; T91-D113 WeakPolarHBondContact CG2-OD2 3.38Å
114	A	88.1	Confident	80.5	Confident	3 Å²	3	56.2 Å²	56.2	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	149.8	176.2	0	0	0	0	0	110.7	L32 L34 V90 F92	L32-A114 HydrophobicContact CB-CB 4.25Å; L32-A114 HydrophobicContact CD2-CB 4.12Å; L32-A114 HydrophobicContact CG-CB 4.24Å; L34-A114 HydrophobicContact CD1-CB 4Å; V90-A114 PolarHBondContact N-O 3.27Å; V90-A114 PolarHBondContact O-N 2.58Å; F92-A114 HydrophobicContact CD2-CB 3.49Å; F92-A114 VanDerWaalsContact CD2-CB 3.49Å; F92-A114 HydrophobicContact CE2-CB 3.56Å
115	L	90.7	Very high	77.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	106.2	-178.9	-64.7	-171.8	0	0	0	110.4	L31 L32 L33 L34 D59 L61 T89 L117	L31-L115 HydrophobicContact CD1-CD1 4.14Å; L31-L115 HydrophobicContact CD2-CD1 3.98Å; L31-L115 HydrophobicContact CD2-CG 4.48Å; L31-L115 HydrophobicContact CG-CD1 4.46Å; L32-L115 PolarHBondContact O-N 3.48Å; L33-L115 HydrophobicContact CD2-CB 3.82Å; L33-L115 HydrophobicContact CD2-CD1 3.98Å; L33-L115 HydrophobicContact CD2-CG 4.42Å; L34-L115 PolarHBondContact N-O 3.33Å; D59-L115 HydrophobicContact CB-CD1 4.35Å; D59-L115 HydrophobicContact CB-CD2 3.97Å; D59-L115 WeakPolarHBondContact O-CD1 3.39Å; D59-L115 WeakPolarHBondContact O-CD2 3.48Å; L61-L115 HydrophobicContact CB-CD1 4.32Å; T89-L115 HydrophobicContact CG2-CD2 3.65Å; L115-L117 PolarHBondContact O-N 3.14Å
116	V	90.7	Very high	75.2	Confident	28 Å²	28	67.2 Å²	67.2	17%	0.17	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	106	175.9	177.9	0	0	0	0	109.1	L34 K36 S87 N88 V90	L34-V116 HydrophobicContact CB-CG2 4.19Å; L34-V116 HydrophobicContact CD1-CG2 4.33Å; L34-V116 CarbonylContact O-C 3.54Å; L34-V116 WeakPolarHBondContact O-CA 3.43Å; K36-V116 HydrophobicContact CB-CG1 3.81Å; K36-V116 HydrophobicContact CD-CG1 4.24Å; K36-V116 HydrophobicContact CG-CG1 4.44Å; S87-V116 CarbonylContact C-O 3.59Å; S87-V116 WeakPolarHBondContact CA-O 3.4Å; N88-V116 PolarHBondContact N-O 3.43Å; N88-V116 PolarHBondContact O-N 3.29Å; V90-V116 HydrophobicContact CB-CG2 4.2Å; V90-V116 HydrophobicContact CG2-CB 4.21Å; V90-V116 HydrophobicContact CG2-CG2 3.54Å
117	L	91.2	Very high	72.5	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.8	173.7	-66.2	167.2	0	0	0	109.9	L33 L34 Y35 K36 F63 R86 L115	L33-L117 HydrophobicContact CB-CD1 4.39Å; L33-L117 HydrophobicContact CD1-CD1 4.42Å; L34-L117 PolarHBondContact O-N 2.94Å; Y35-L117 HydrophobicContact CD1-CB 4.17Å; Y35-L117 HydrophobicContact CD1-CD1 3.97Å; Y35-L117 HydrophobicContact CE1-CD1 3.49Å; Y35-L117 VanDerWaalsContact CE1-CD1 3.49Å; K36-L117 WeakPolarHBondContact CB-O 3.48Å; K36-L117 PolarHBondContact N-O 2.79Å; F63-L117 HydrophobicContact CD2-CD1 4.26Å; F63-L117 HydrophobicContact CD2-CD2 4.08Å; F63-L117 HydrophobicContact CE2-CD1 3.92Å; F63-L117 HydrophobicContact CE2-CD2 4.13Å; R86-L117 WeakPolarHBondContact O-CA 3.32Å; L115-L117 PolarHBondContact O-N 3.14Å
118	D	89.6	Confident	69.6	Low	33 Å²	33	80.4 Å²	80.4	18%	0.176	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.7	174.1	-162.3	9.7	0	0	0	110.4	K36 N37 L85 R86 C120	K36-D118 HydrophobicContact CB-CB 4.19Å; K36-D118 HydrophobicContact CD-CB 4.12Å; K36-D118 WeakPolarHBondContact CD-OD2 3.39Å; K36-D118 WeakPolarHBondContact CE-OD2 3.34Å; K36-D118 IonicContact NZ-OD2 2.79Å; K36-D118 PolarHBondContact NZ-OD2 3.32Å; N37-D118 PolarHBondContact ND2-OD1 3.49Å; L85-D118 WeakPolarHBondContact CA-O 3.29Å; R86-D118 PolarHBondContact N-O 3.2Å; R86-D118 PolarHBondContact O-N 3.27Å; D118-C120 PolarHBondContact O-N 2.88Å
119	T	85.7	Confident	67	Low	62 Å²	62	85.6 Å²	85.6	38%	0.38	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.2	-177.9	-52.7	0	0	0	0	110.7	Y83 L85 K121	Y83-T119 HydrophobicContact CD2-CG2 4.2Å; L85-T119 WeakPolarHBondContact CD2-OG1 3.39Å; T119-K121 PolarHBondContact O-N 2.97Å
120	C	78.9	Confident	64.4	Low	29 Å²	29	90.7 Å²	90.7	20%	0.196	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.8	174.9	-74.2	0	0	0	0	111.1	L84 R86 D118	L84-C120 HydrophobicContact CB-CB 4.14Å; L84-C120 HydrophobicContact CD2-CB 4.04Å; L84-C120 HydrophobicContact CG-CB 4.2Å; L84-C120 PolarHBondContact O-N 3.3Å; R86-C120 WeakPolarHBondContact CB-SG 3.44Å; D118-C120 PolarHBondContact O-N 2.88Å
121	K	64.2	Low	62	Low	210 Å²	210	98 Å²	98	91%	0.913	50%	0.5	S	S	*	.			trans	-93.7	6.6	172.6	-62	-174.7	178.4	-176.7	0	113.4	T119 A123	T119-K121 PolarHBondContact O-N 2.97Å; K121-A123 PolarHBondContact O-N 2.99Å
122	E	55.1	Low	59.7	Low	134 Å²	134	98.4 Å²	98.4	63%	0.626	51%	0.509	S	S	*	.			trans	-73.3	122.4	177.6	-62.6	-173.2	109.9	0	0	109.8	R86 V124	R86-E122 IonicContact CZ-OE2 2.72Å; R86-E122 IonicContact NH1-OE2 2.68Å; R86-E122 PolarHBondContact NH1-OE2 3.36Å; R86-E122 IonicContact NH2-OE2 3.24Å; E122-V124 PolarHBondContact O-N 3.13Å
123	A	37.5	Very low	57.7	Low	83 Å²	83	98.2 Å²	98.2	69%	0.686	52%	0.519	S	S	*	.			trans	-60.9	124.3	169.5	0	0	0	0	0	109.4	K121 K125	K121-A123 PolarHBondContact O-N 2.99Å; A123-K125 PolarHBondContact O-N 3.02Å
124	V	42.8	Very low	55.4	Low	101 Å²	101	102.8 Å²	102.8	61%	0.612	54%	0.543	S	S	*	.			trans	-61.6	111.2	176.2	178.7	0	0	0	0	108	E122 V126	E122-V124 PolarHBondContact O-N 3.13Å; V124-V126 PolarHBondContact O-N 3.11Å
125	K	36.1	Very low	53	Low	201 Å²	201	107.8 Å²	107.8	87%	0.874	58%	0.578	S	S	*	*			trans	-69.5	98.3	173.4	-75.7	-175.3	175.8	178	0	108.9	A123	A123-K125 PolarHBondContact O-N 3.02Å
126	V	36	Very low	50.3	Low	114 Å²	114	112.3 Å²	112.3	69%	0.691	61%	0.61	S	S	*	*			trans	-50.6	150.3	165.6	-177.5	0	0	0	0	109.5	V124	V124-V126 PolarHBondContact O-N 3.11Å
127	D	33.1	Very low	47.8	Very low	125 Å²	125	117.9 Å²	117.9	67%	0.668	64%	0.644	S	S	*	*			trans	-52.3	150.2	-153.7	-75.2	-72	0	0	0	117.8	T129	D127-T129 HydrophobicContact CB-CG2 4.39Å; D127-T129 PolarHBondContact O-N 3.41Å
128	K	31.1	Very low	45.5	Very low	219 Å²	219	123.7 Å²	123.7	95%	0.952	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	61.9	167.6	-73.3	-177.8	172.4	-178.9	0	111.6
129	T	34	Very low	43.3	Very low	109 Å²	109	129 Å²	129	67%	0.669	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	-22.6	176.7	41.3	0	0	0	0	113.5	D127	D127-T129 HydrophobicContact CB-CG2 4.39Å; D127-T129 PolarHBondContact O-N 3.41Å
130	N	32.6	Very low	41.2	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	74%	0.737	S	S	*	*	S	Bend	trans	-113.3	22.1	-175	-76.5	-14.5	0	0	0	115.7
131	Q	35.9	Very low	39.3	Very low	185 Å²	185	137.1 Å²	137.1	86%	0.864	77%	0.769	S	S	*	*	S	Bend	trans	-114.4	71.7	168	-73.7	-168.6	-9.2	0	0	111.1
132	N	34.7	Very low	38.1	Very low	149 Å²	149	131.3 Å²	131.3	80%	0.797	76%	0.761	S	S	*	*	S	Bend	trans	-154.4	10.3	171.9	-103.6	-16.8	0	0	0	113
133	S	38	Very low	37.2	Very low	71 Å²	71	131 Å²	131	50%	0.497	77%	0.77	S	S	.	*	S	Bend	trans	-85.4	-33.1	-174.8	43.5	0	0	0	0	114.1	S135 S136	S133-S135 VanDerWaalsContact C-N 3.34Å; S133-S135 PolarHBondContact O-N 2.89Å; S133-S136 PolarHBondContact O-OG 2.89Å
134	D	37.4	Very low	37.1	Very low	159 Å²	159	131.9 Å²	131.9	85%	0.85	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	12.1	-158.3	-62.7	13.6	0	0	0	113.9
135	S	37.7	Very low	36.8	Very low	108 Å²	108	131 Å²	131	76%	0.755	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	34.1	-179	69.5	0	0	0	0	113.1	S133	S133-S135 VanDerWaalsContact C-N 3.34Å; S133-S135 PolarHBondContact O-N 2.89Å
136	S	33.3	Very low	36.6	Very low	96 Å²	96	131.4 Å²	131.4	67%	0.671	78%	0.783	S	S	*	*			trans	-124	32.6	-163.8	61.8	0	0	0	0	116	S133	S133-S136 PolarHBondContact O-OG 2.89Å
137	T	39.6	Very low	36.6	Very low	145 Å²	145	132.1 Å²	132.1	89%	0.89	79%	0.787	S	S	*	*			trans	-131.1	68.7	177.9	-45.2	0	0	0	0	114.1
138	S	42.6	Very low	36.5	Very low	122 Å²	122	130.9 Å²	130.9	85%	0.853	79%	0.789	S	S	*	*			trans	-152.9	129.3	152.6	55.9	0	0	0	0	110.2
139	T	43.6	Very low	36.7	Very low	144 Å²	144	124.3 Å²	124.3	88%	0.883	78%	0.775	S	S	*	*			trans	-91.8	156.6	-167.3	33.6	0	0	0	0	113.8
140	P	40.9	Very low	36.5	Very low	119 Å²	119	129.9 Å²	129.9	77%	0.773	78%	0.784	S	S	*	*			trans	-104.9	144.7	-154.1	37.8	-33.5	0	0	0	115.3
141	V	38.4	Very low	36.9	Very low	144 Å²	144	131 Å²	131	87%	0.873	79%	0.789	S	S	*	*			trans	-143.7	145.2	162.2	-175	0	0	0	0	109.6
142	A	40.1	Very low	37	Very low	88 Å²	88	132.5 Å²	132.5	73%	0.727	79%	0.787	S	S	*	*	S	Bend	trans	71.6	139.9	178.1	0	0	0	0	0	116.9	A144	A142-A144 PolarHBondContact O-N 3.41Å
143	P	36.9	Very low	37.1	Very low	127 Å²	127	132.6 Å²	132.6	83%	0.825	79%	0.793	S	S	*	*			trans	-82	106.2	-177.4	31.9	-33.3	0	0	0	111.6	A145	P143-A145 PolarHBondContact O-N 2.81Å
144	A	34	Very low	36.9	Very low	102 Å²	102	132.3 Å²	132.3	84%	0.843	80%	0.795	S	S	*	*			trans	-62.7	108.2	163.6	0	0	0	0	0	109.1	A142	A142-A144 PolarHBondContact O-N 3.41Å
145	A	37.8	Very low	36.8	Very low	83 Å²	83	131.1 Å²	131.1	69%	0.686	79%	0.789	S	S	*	*			trans	-63	155.8	-172.4	0	0	0	0	0	112.8	P143 V147	P143-A145 PolarHBondContact O-N 2.81Å; A145-V147 VanDerWaalsContact C-N 3.29Å; A145-V147 PolarHBondContact O-N 2.69Å
146	F	31.6	Very low	36.8	Very low	208 Å²	208	130.7 Å²	130.7	91%	0.912	79%	0.791	S	S	*	*			trans	-58.8	87.1	168.1	-95.1	-106.2	0	0	0	110.9	S148	F146-S148 PolarHBondContact O-N 2.68Å
147	V	34.8	Very low	37.4	Very low	129 Å²	129	132.8 Å²	132.8	78%	0.782	79%	0.794	S	S	*	*			trans	-78.8	69.2	162.7	-171.1	0	0	0	0	107.9	A145 A149	A145-V147 VanDerWaalsContact C-N 3.29Å; A145-V147 PolarHBondContact O-N 2.69Å; V147-A149 PolarHBondContact O-N 3.44Å
148	S	31.4	Very low	37.3	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	78%	0.782	S	S	*	*			trans	-63.3	93.1	154.9	-179.1	0	0	0	0	106.4	F146 R150	F146-S148 PolarHBondContact O-N 2.68Å; S148-R150 PolarHBondContact O-N 2.99Å
149	A	34.7	Very low	37.3	Very low	81 Å²	81	132.1 Å²	132.1	67%	0.669	79%	0.785	S	S	*	*			trans	-67.7	81.3	177	0	0	0	0	0	108.4	V147 L151	V147-A149 PolarHBondContact O-N 3.44Å; A149-L151 PolarHBondContact O-N 2.82Å
150	R	31.6	Very low	36.9	Very low	226 Å²	226	136.4 Å²	136.4	85%	0.853	79%	0.785	S	S	*	*			trans	-67.9	67	174.6	-171.3	179.3	-175.7	171.1	2.5	109	S148 R152	S148-R150 PolarHBondContact O-N 2.99Å; R150-R152 PolarHBondContact O-N 2.73Å
151	L	39.5	Very low	36.7	Very low	166 Å²	166	132.9 Å²	132.9	87%	0.869	77%	0.77	S	S	*	*			trans	-57.6	113.2	-179.3	-156.7	76.8	0	0	0	107	A149	A149-L151 PolarHBondContact O-N 2.82Å
152	R	38.3	Very low	36.9	Very low	216 Å²	216	132.6 Å²	132.6	82%	0.815	77%	0.771	S	S	*	*			trans	-70.5	146	-163.1	-73.1	179.7	170.2	166.3	-4	110.5	R150 A154	R150-R152 PolarHBondContact O-N 2.73Å; R152-A154 PolarHBondContact O-N 3.26Å
153	T	37.1	Very low	36.7	Very low	151 Å²	151	137.1 Å²	137.1	93%	0.926	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	62.4	177.5	-37.9	0	0	0	0	111.5
154	A	33.9	Very low	36.7	Very low	65 Å²	65	135.8 Å²	135.8	54%	0.537	78%	0.779	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.9	-45.1	-171	0	0	0	0	0	112.8	R152 A156	R152-A154 PolarHBondContact O-N 3.26Å; A154-A156 VanDerWaalsContact C-N 3.33Å; A154-A156 PolarHBondContact O-N 2.87Å
155	D	34.2	Very low	37	Very low	134 Å²	134	136 Å²	136	72%	0.717	77%	0.774	S	S	*	*			trans	-88.7	10.8	-172.8	-65.7	-55.7	0	0	0	115.1	I157 A158	D155-I157 PolarHBondContact O-N 3.09Å; D155-A158 PolarHBondContact O-N 3.22Å
156	A	39.7	Very low	37.2	Very low	98 Å²	98	143.7 Å²	143.7	81%	0.81	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	3.7	176.9	0	0	0	0	0	114.7	A154	A154-A156 VanDerWaalsContact C-N 3.33Å; A154-A156 PolarHBondContact O-N 2.87Å
157	I	44.7	Very low	38	Very low	141 Å²	141	145.2 Å²	145.2	72%	0.723	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	-15.8	-175.9	-60	179.4	0	0	0	111.6	D155 L159	D155-I157 PolarHBondContact O-N 3.09Å; I157-L159 PolarHBondContact O-N 2.8Å
158	A	36.8	Very low	38.9	Very low	77 Å²	77	147.9 Å²	147.9	64%	0.636	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-15.6	-164.5	0	0	0	0	0	116.1	D155	D155-A158 PolarHBondContact O-N 3.22Å
159	L	42.8	Very low	40	Very low	175 Å²	175	147.4 Å²	147.4	92%	0.916	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	16.4	-178.5	-92.3	167.8	0	0	0	114.8	I157 G161	I157-L159 PolarHBondContact O-N 2.8Å; L159-G161 VanDerWaalsContact C-N 3.29Å; L159-G161 PolarHBondContact O-N 3.13Å
160	R	36.1	Very low	41.2	Very low	235 Å²	235	147.4 Å²	147.4	89%	0.887	78%	0.781	S	S	*	*			trans	-90.2	41.5	179.9	-143.3	178.7	-158.6	-145.7	5.5	113.9
161	G	37.1	Very low	42.6	Very low	45 Å²	45	141.1 Å²	141.1	46%	0.464	76%	0.764	S	S	.	*			trans	-81.3	134.9	-179.3	0	0	0	0	0	113.6	L159 M163	L159-G161 VanDerWaalsContact C-N 3.29Å; L159-G161 PolarHBondContact O-N 3.13Å; G161-M163 PolarHBondContact O-N 2.56Å
162	P	42.8	Very low	44	Very low	137 Å²	137	135.3 Å²	135.3	89%	0.89	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	4.5	-174	-24.7	35.2	0	0	0	118.1
163	M	34.6	Very low	45.8	Very low	184 Å²	184	128.5 Å²	128.5	91%	0.906	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	4.3	-170.7	-56.7	-170.7	81.6	0	0	114.3	G161 S165	G161-M163 PolarHBondContact O-N 2.56Å; M163-S165 PolarHBondContact O-N 2.97Å
164	A	37.2	Very low	47.7	Very low	98 Å²	98	125.6 Å²	125.6	81%	0.81	70%	0.701	S	S	*	*			trans	-77.5	47.7	-179.3	0	0	0	0	0	114
165	S	40.5	Very low	49.8	Very low	106 Å²	106	128.3 Å²	128.3	74%	0.741	71%	0.706	S	S	*	*			trans	-125.8	61.7	-172.5	-164.6	0	0	0	0	113.4	M163	M163-S165 PolarHBondContact O-N 2.97Å
166	R	42.8	Very low	51.9	Low	245 Å²	245	125 Å²	125	93%	0.925	69%	0.69	S	S	*	*	S	Bend	trans	-163.8	7.5	163.5	-123.1	170.6	-170.6	-99.5	0.1	118.9
167	R	48	Very low	53.8	Low	241 Å²	241	123.3 Å²	123.3	91%	0.909	67%	0.667	S	S	*	*			trans	-136.2	112.2	175.6	-66.7	-176.8	-179.6	169	0.3	110.6
168	K	52.3	Low	55.5	Low	184 Å²	184	121.4 Å²	121.4	80%	0.8	65%	0.654	S	S	*	*			trans	-62.1	134.1	161.3	-83.6	-170.3	174.9	-172.5	0	108.2
169	P	56.4	Low	57.6	Low	91 Å²	91	122.5 Å²	122.5	59%	0.591	65%	0.649	S	S	*	*			trans	-61.4	146.2	168.7	-21.7	33.6	0	0	0	110.7	D171 S172	P169-D171 PolarHBondContact O-N 3.1Å; P169-S172 WeakPolarHBondContact O-CB 3.28Å; P169-S172 PolarHBondContact O-N 3.49Å; P169-S172 PolarHBondContact O-OG 2.65Å
170	A	58.4	Low	59.5	Low	81 Å²	81	118.2 Å²	118.2	67%	0.669	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-60.6	-25.8	174.8	0	0	0	0	0	112.6	S172 D173	A170-S172 PolarHBondContact O-N 3.31Å; A170-S172 VanDerWaalsContact O-N 3.1Å; A170-D173 VanDerWaalsContact O-CB 3.25Å; A170-D173 WeakPolarHBondContact O-CB 3.38Å; A170-D173 PolarHBondContact O-N 3.26Å; A170-D173 VanDerWaalsContact O-N 3.14Å
171	D	62	Low	61.7	Low	93 Å²	93	111.9 Å²	111.9	50%	0.497	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-71.7	5	172.8	-153.3	37.4	0	0	0	113.7	P169 K180	P169-D171 PolarHBondContact O-N 3.1Å; D171-K180 IonicContact OD1-NZ 2.79Å; D171-K180 PolarHBondContact OD1-NZ 3.18Å; D171-K180 IonicContact OD2-NZ 3.92Å; D171-K180 PolarHBondContact OD2-NZ 2.99Å
172	S	67.5	Low	63.8	Low	44 Å²	44	112.6 Å²	112.6	31%	0.308	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-116.1	13.3	171.7	70.9	0	0	0	0	113.6	P169 A170	P169-S172 WeakPolarHBondContact O-CB 3.28Å; P169-S172 PolarHBondContact O-N 3.49Å; P169-S172 PolarHBondContact O-OG 2.65Å; A170-S172 PolarHBondContact O-N 3.31Å; A170-S172 VanDerWaalsContact O-N 3.1Å
173	D	76.6	Confident	65.7	Low	73 Å²	73	111.5 Å²	111.5	39%	0.39	59%	0.585	S	S	.	*	S	Bend	trans	-77.2	132.5	167.2	-170.4	-59.2	0	0	0	109.9	A170 D175 V176 I177	A170-D173 VanDerWaalsContact O-CB 3.25Å; A170-D173 WeakPolarHBondContact O-CB 3.38Å; A170-D173 PolarHBondContact O-N 3.26Å; A170-D173 VanDerWaalsContact O-N 3.14Å; D173-D175 VanDerWaalsContact C-N 3.28Å; D173-D175 PolarHBondContact O-N 2.91Å; D173-D175 PolarHBondContact OD1-N 3.25Å; D173-V176 HydrophobicContact CB-CB 4.13Å; D173-V176 HydrophobicContact CB-CG2 3.9Å; D173-V176 PolarHBondContact O-N 2.74Å; D173-I177 VanDerWaalsContact O-CG1 3.3Å; D173-I177 WeakPolarHBondContact O-CG1 3.25Å; D173-I177 PolarHBondContact O-N 3.11Å
174	P	78	Confident	68	Low	91 Å²	91	109.7 Å²	109.7	59%	0.591	57%	0.574	S	S	*	*	H	α-helix	trans	-60.6	-33.9	-178.4	26.1	-35.4	0	0	0	113.5	I177 F178	P174-I177 PolarHBondContact O-N 2.79Å; P174-F178 WeakPolarHBondContact O-CB 3.49Å; P174-F178 PolarHBondContact O-N 2.91Å
175	D	76.7	Confident	70.3	Confident	122 Å²	122	106.3 Å²	106.3	65%	0.652	55%	0.547	S	S	*	.	H	α-helix	trans	-74.7	-36.9	-176.8	-67.2	-5.7	0	0	0	110.6	D173 F178 L179	D173-D175 VanDerWaalsContact C-N 3.28Å; D173-D175 PolarHBondContact O-N 2.91Å; D173-D175 PolarHBondContact OD1-N 3.25Å; D175-F178 PolarHBondContact O-N 3.29Å; D175-L179 WeakPolarHBondContact O-CB 3.23Å; D175-L179 PolarHBondContact O-N 3.03Å
176	V	78.2	Confident	72.7	Confident	63 Å²	63	106.1 Å²	106.1	38%	0.382	54%	0.543	S	S	.	.	H	α-helix	trans	-65.2	-42.2	172.3	178.2	0	0	0	0	110.5	D173 K180	D173-V176 HydrophobicContact CB-CB 4.13Å; D173-V176 HydrophobicContact CB-CG2 3.9Å; D173-V176 PolarHBondContact O-N 2.74Å; V176-K180 WeakPolarHBondContact O-CB 3.38Å; V176-K180 PolarHBondContact O-N 3.27Å
177	I	80	Confident	75	Confident	64 Å²	64	98.5 Å²	98.5	33%	0.328	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-44.9	175	-68.5	165.2	0	0	0	110.7	D173 P174 K180 Q181	D173-I177 VanDerWaalsContact O-CG1 3.3Å; D173-I177 WeakPolarHBondContact O-CG1 3.25Å; D173-I177 PolarHBondContact O-N 3.11Å; P174-I177 PolarHBondContact O-N 2.79Å; I177-K180 WeakPolarHBondContact O-CB 3.46Å; I177-K180 PolarHBondContact O-N 3.24Å; I177-Q181 WeakPolarHBondContact O-CG 3.46Å; I177-Q181 PolarHBondContact O-N 2.9Å
178	F	80.5	Confident	77.1	Confident	100 Å²	100	89.5 Å²	89.5	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-46.2	178.9	179.7	-103.9	0	0	0	112	L58 P174 D175 K180 Q181 Q182	L58-F178 HydrophobicContact CD2-CE2 4.23Å; P174-F178 WeakPolarHBondContact O-CB 3.49Å; P174-F178 PolarHBondContact O-N 2.91Å; D175-F178 PolarHBondContact O-N 3.29Å; F178-K180 VanDerWaalsContact C-N 3.33Å; F178-K180 PolarHBondContact O-N 3.2Å; F178-Q181 PolarHBondContact O-N 3.42Å; F178-Q182 WeakPolarHBondContact O-CB 3.38Å; F178-Q182 PolarHBondContact O-N 2.87Å
179	L	81.6	Confident	79.1	Confident	100 Å²	100	86.3 Å²	86.3	52%	0.524	49%	0.486	S	S	.	.	H	α-helix	trans	-62.6	-39.8	176.5	-174.4	63.5	0	0	0	111.9	D175 Q182 V183	D175-L179 WeakPolarHBondContact O-CB 3.23Å; D175-L179 PolarHBondContact O-N 3.03Å; L179-Q182 PolarHBondContact O-N 2.92Å; L179-V183 WeakPolarHBondContact O-CG2 3.34Å; L179-V183 PolarHBondContact O-N 3.28Å
180	K	82.4	Confident	80.8	Confident	86 Å²	86	84.9 Å²	84.9	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-63	-42.6	175.3	-168.4	177.4	-169	174.7	0	111.5	D171 V176 I177 F178 V183 Q184	D171-K180 IonicContact OD1-NZ 2.79Å; D171-K180 PolarHBondContact OD1-NZ 3.18Å; D171-K180 IonicContact OD2-NZ 3.92Å; D171-K180 PolarHBondContact OD2-NZ 2.99Å; V176-K180 WeakPolarHBondContact O-CB 3.38Å; V176-K180 PolarHBondContact O-N 3.27Å; I177-K180 WeakPolarHBondContact O-CB 3.46Å; I177-K180 PolarHBondContact O-N 3.24Å; F178-K180 VanDerWaalsContact C-N 3.33Å; F178-K180 PolarHBondContact O-N 3.2Å; K180-V183 PolarHBondContact O-N 3.23Å; K180-Q184 WeakPolarHBondContact O-CB 3.47Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.29Å; K180-Q184 PolarHBondContact O-N 3.3Å
181	Q	82.3	Confident	82.3	Confident	102 Å²	102	89.2 Å²	89.2	48%	0.477	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-42	171.5	-71.7	176.2	11.9	0	0	112	I177 F178 V183 Q184 A185	I177-Q181 WeakPolarHBondContact O-CG 3.46Å; I177-Q181 PolarHBondContact O-N 2.9Å; F178-Q181 PolarHBondContact O-N 3.42Å; Q181-V183 VanDerWaalsContact C-N 3.32Å; Q181-V183 PolarHBondContact O-N 3.1Å; Q181-Q184 PolarHBondContact O-N 3.41Å; Q181-A185 VanDerWaalsContact O-CB 3.28Å; Q181-A185 WeakPolarHBondContact O-CB 3.38Å; Q181-A185 PolarHBondContact O-N 3.23Å
182	Q	80.9	Confident	83.6	Confident	59 Å²	59	88.1 Å²	88.1	28%	0.276	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-36.7	178.8	-165.2	-171.1	63.5	0	0	112.2	K55 L58 L60 F178 L179	K55-Q182 PolarHBondContact NZ-O 3.17Å; L58-Q182 HydrophobicContact CD1-CB 4.26Å; L58-Q182 HydrophobicContact CD1-CG 4.29Å; L60-Q182 HydrophobicContact CD2-CG 4.01Å; F178-Q182 WeakPolarHBondContact O-CB 3.38Å; F178-Q182 PolarHBondContact O-N 2.87Å; L179-Q182 PolarHBondContact O-N 2.92Å
183	V	83.5	Confident	84.6	Confident	114 Å²	114	93.3 Å²	93.3	69%	0.691	49%	0.488	S	S	*	.	H	α-helix	trans	-71.9	-43.5	173.3	172.8	0	0	0	0	111.7	L179 K180 Q181	L179-V183 WeakPolarHBondContact O-CG2 3.34Å; L179-V183 PolarHBondContact O-N 3.28Å; K180-V183 PolarHBondContact O-N 3.23Å; Q181-V183 VanDerWaalsContact C-N 3.32Å; Q181-V183 PolarHBondContact O-N 3.1Å
184	Q	82.6	Confident	85.1	Confident	146 Å²	146	95.5 Å²	95.5	68%	0.682	49%	0.491	S	S	*	.	H	α-helix	trans	-76.2	-28.7	-175.3	-72.5	177.9	-7.6	0	0	114.6	K180 Q181	K180-Q184 WeakPolarHBondContact O-CB 3.47Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.29Å; K180-Q184 PolarHBondContact O-N 3.3Å; Q181-Q184 PolarHBondContact O-N 3.41Å
185	A	85.9	Confident	85.6	Confident	28 Å²	28	96.1 Å²	96.1	23%	0.231	48%	0.484	C	S	.	.	S	Bend	trans	-65	130.1	-179.9	0	0	0	0	0	111.1	K55 L58 Q181	K55-A185 HydrophobicContact CD-CB 3.95Å; K55-A185 WeakPolarHBondContact CD-O 3.42Å; K55-A185 WeakPolarHBondContact CE-O 3.48Å; K55-A185 PolarHBondContact NZ-O 3.43Å; L58-A185 HydrophobicContact CD1-CB 3.82Å; Q181-A185 VanDerWaalsContact O-CB 3.28Å; Q181-A185 WeakPolarHBondContact O-CB 3.38Å; Q181-A185 PolarHBondContact O-N 3.23Å
186	P	89.6	Confident	86.1	Confident	102 Å²	102	93.3 Å²	93.3	66%	0.662	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-68.2	149.8	-179.4	28.5	-34.9	0	0	0	111.7
187	W	91.4	Very high	86.6	Confident	84 Å²	84	95 Å²	95	32%	0.318	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-81.5	131.1	167.2	-74.9	114.3	0	0	0	110.2	R53 K55 L60 E62	R53-W187 HydrophobicContact CB-CB 4.49Å; R53-W187 HydrophobicContact CB-CD2 4.39Å; R53-W187 HydrophobicContact CB-CE3 3.89Å; R53-W187 HydrophobicContact CB-CZ3 4.49Å; R53-W187 HydrophobicContact CG-CD2 3.94Å; R53-W187 HydrophobicContact CG-CE3 3.59Å; R53-W187 HydrophobicContact CG-CG 4.49Å; R53-W187 HydrophobicContact CG-CZ3 3.91Å; K55-W187 HydrophobicContact CD-CD2 4.25Å; K55-W187 HydrophobicContact CD-CE3 4.31Å; K55-W187 HydrophobicContact CG-CD2 3.88Å; K55-W187 HydrophobicContact CG-CE3 3.48Å; K55-W187 VanDerWaalsContact CG-CE3 3.48Å; K55-W187 HydrophobicContact CG-CH2 4.25Å; K55-W187 HydrophobicContact CG-CZ3 3.69Å; L60-W187 HydrophobicContact CD2-CH2 3.58Å; L60-W187 HydrophobicContact CD2-CZ2 4.03Å; L60-W187 HydrophobicContact CD2-CZ3 4.38Å; L60-W187 HydrophobicContact CG-CH2 3.82Å; L60-W187 HydrophobicContact CG-CZ3 4.36Å; E62-W187 HydrophobicContact CB-CH2 4.09Å; E62-W187 HydrophobicContact CB-CZ3 4.36Å; E62-W187 VanDerWaalsContact CD-CZ2 3.44Å; E62-W187 HydrophobicContact CG-CH2 3.62Å; E62-W187 HydrophobicContact CG-CZ2 4.21Å; E62-W187 HydrophobicContact CG-CZ3 4.34Å; E62-W187 WeakPolarHBondContact OE2-CH2 3.2Å; E62-W187 VanDerWaalsContact OE2-CZ2 3.26Å; E62-W187 WeakPolarHBondContact OE2-CZ2 3.44Å
188	C	92.7	Very high	87.1	Confident	52 Å²	52	96.9 Å²	96.9	35%	0.351	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.1	166.8	-60.9	0	0	0	0	108.9	R53 I54	R53-C188 CarbonylContact C-O 3.58Å; R53-C188 VanDerWaalsContact CA-O 3.31Å; R53-C188 WeakPolarHBondContact CA-O 3.37Å; I54-C188 HydrophobicContact CG2-CB 4.13Å; I54-C188 PolarHBondContact N-O 3.31Å; I54-C188 PolarHBondContact O-N 3.37Å
189	P	93.8	Very high	87.6	Confident	118 Å²	118	95.2 Å²	95.2	77%	0.766	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.8	172.6	29.4	-34.1	0	0	0	110.1
190	V	92.4	Very high	87.9	Confident	60 Å²	60	91.1 Å²	91.1	36%	0.364	47%	0.473	S	S	.	.			trans	-133.3	152.7	176.4	-67.3	0	0	0	0	110.6	A52 I54 L61	A52-V190 HydrophobicContact CB-CG2 3.81Å; A52-V190 PolarHBondContact O-N 2.8Å; A52-V190 VanDerWaalsContact O-O 3.11Å; I54-V190 HydrophobicContact CB-CG1 4.47Å; I54-V190 HydrophobicContact CG2-CG1 3.63Å; L61-V190 HydrophobicContact CD1-CG2 4.46Å
191	Q	90.5	Very high	88.2	Confident	172 Å²	172	91.8 Å²	91.8	80%	0.804	48%	0.477	S	S	*	.			trans	-98.7	120.8	176.7	-67.9	179.5	-7.3	0	0	109.9	K193	Q191-K193 PolarHBondContact O-N 3.36Å
192	Y	89.4	Confident	88.6	Confident	70 Å²	70	93.1 Å²	93.1	28%	0.275	48%	0.483	S	S	.	.			trans	-75.9	115	169.1	176.6	-110.4	0	0	0	109.8	L44 D45 I49 F63 R194	L44-Y192 HydrophobicContact CB-CE1 4.32Å; L44-Y192 HydrophobicContact CB-CE2 4.39Å; L44-Y192 WeakPolarHBondContact CB-OH 3.46Å; L44-Y192 HydrophobicContact CD1-CE2 4.39Å; D45-Y192 PolarHBondContact N-OH 3.35Å; D45-Y192 PolarHBondContact OD1-OH 2.99Å; D45-Y192 VanDerWaalsContact OD1-OH 3.07Å; I49-Y192 HydrophobicContact CB-CD1 4.32Å; I49-Y192 HydrophobicContact CD1-CD1 3.47Å; I49-Y192 VanDerWaalsContact CD1-CD1 3.47Å; I49-Y192 HydrophobicContact CD1-CD2 4.19Å; I49-Y192 HydrophobicContact CD1-CE1 3.78Å; I49-Y192 HydrophobicContact CD1-CE2 4.49Å; I49-Y192 HydrophobicContact CD1-CG 3.68Å; I49-Y192 HydrophobicContact CG1-CD1 3.91Å; I49-Y192 HydrophobicContact CG1-CE1 4.25Å; F63-Y192 HydrophobicContact CE1-CD2 4.13Å; F63-Y192 HydrophobicContact CE1-CG 4.45Å; Y192-R194 HydrophobicContact CD1-CG 4.33Å; Y192-R194 HydrophobicContact CE1-CG 3.68Å
193	K	88	Confident	88.9	Confident	153 Å²	153	95.2 Å²	95.2	67%	0.665	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-97.8	116.2	169.4	-67.1	-173	176.7	-173.3	0	108.6	Q191	Q191-K193 PolarHBondContact O-N 3.36Å
194	R	87.1	Confident	89.2	Confident	119 Å²	119	94.6 Å²	94.6	45%	0.449	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-54.8	152.8	173.8	-72.1	-179.3	172.3	-179.9	-11	111.6	D45 E47 Y192 I196 R203	D45-R194 WeakPolarHBondContact O-CD 3.09Å; D45-R194 PolarHBondContact O-NE 2.96Å; D45-R194 PolarHBondContact O-NH2 3.21Å; E47-R194 PolarHBondContact O-NH2 2.91Å; Y192-R194 HydrophobicContact CD1-CG 4.33Å; Y192-R194 HydrophobicContact CE1-CG 3.68Å; R194-I196 PolarHBondContact O-N 2.95Å; R194-R203 PolarHBondContact O-NH1 3.44Å
195	F	87.8	Confident	89.6	Confident	105 Å²	105	91.6 Å²	91.6	46%	0.461	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-64.7	129.6	168.6	-179.8	-115.3	0	0	0	110.2	D45 P197 A200	D45-F195 VanDerWaalsContact OD1-CB 3.27Å; D45-F195 WeakPolarHBondContact OD1-CB 3.3Å; D45-F195 PolarHBondContact OD1-N 3.36Å; F195-P197 HydrophobicContact CD1-CG 4.33Å; F195-P197 HydrophobicContact CE1-CB 4.35Å; F195-P197 HydrophobicContact CE1-CG 3.85Å; F195-P197 HydrophobicContact CZ-CG 4.48Å; F195-A200 HydrophobicContact CE2-CB 3.55Å; F195-A200 HydrophobicContact CZ-CB 3.87Å
196	I	88.6	Confident	89.7	Confident	63 Å²	63	93.5 Å²	93.5	32%	0.323	47%	0.471	S	S	.	.			trans	-125.2	113	176.1	-65.8	-178.5	0	0	0	106	R194 S198 E199 A200	R194-I196 PolarHBondContact O-N 2.95Å; I196-S198 VanDerWaalsContact C-N 3.31Å; I196-S198 WeakPolarHBondContact CG2-OG 3.33Å; I196-S198 PolarHBondContact O-N 3.05Å; I196-E199 HydrophobicContact CB-CB 4.36Å; I196-E199 HydrophobicContact CB-CG 4.45Å; I196-E199 VanDerWaalsContact CD1-OE1 3.3Å; I196-E199 WeakPolarHBondContact CD1-OE1 3.45Å; I196-E199 HydrophobicContact CG2-CB 4.3Å; I196-E199 HydrophobicContact CG2-CG 4.05Å; I196-E199 PolarHBondContact O-N 2.78Å; I196-A200 PolarHBondContact O-N 2.91Å
197	P	88.3	Confident	89.6	Confident	98 Å²	98	89.8 Å²	89.8	64%	0.636	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.2	-172.2	-28.4	35.1	0	0	0	115	F195 A200	F195-P197 HydrophobicContact CD1-CG 4.33Å; F195-P197 HydrophobicContact CE1-CB 4.35Å; F195-P197 HydrophobicContact CE1-CG 3.85Å; F195-P197 HydrophobicContact CZ-CG 4.48Å; P197-A200 WeakPolarHBondContact O-CB 3.21Å; P197-A200 PolarHBondContact O-N 2.86Å
198	S	91	Very high	89.4	Confident	103 Å²	103	87.7 Å²	87.7	72%	0.72	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-68.3	-40.2	178.1	44.3	0	0	0	0	112.9	I196 A200	I196-S198 VanDerWaalsContact C-N 3.31Å; I196-S198 WeakPolarHBondContact CG2-OG 3.33Å; I196-S198 PolarHBondContact O-N 3.05Å; S198-A200 PolarHBondContact O-N 3.16Å
199	E	90.8	Very high	89	Confident	66 Å²	66	87.1 Å²	87.1	31%	0.308	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-79.7	-3.4	175.9	-64.3	178.2	-125.1	0	0	113	I196 F201 E202 R203	I196-E199 HydrophobicContact CB-CB 4.36Å; I196-E199 HydrophobicContact CB-CG 4.45Å; I196-E199 VanDerWaalsContact CD1-OE1 3.3Å; I196-E199 WeakPolarHBondContact CD1-OE1 3.45Å; I196-E199 HydrophobicContact CG2-CB 4.3Å; I196-E199 HydrophobicContact CG2-CG 4.05Å; I196-E199 PolarHBondContact O-N 2.78Å; E199-F201 VanDerWaalsContact C-N 3.27Å; E199-F201 PolarHBondContact O-N 2.92Å; E199-E202 PolarHBondContact O-N 2.71Å; E199-R203 HydrophobicContact CB-CG 4.23Å; E199-R203 VanDerWaalsContact CD-NH2 3.26Å; E199-R203 WeakPolarHBondContact O-CB 3.31Å; E199-R203 WeakPolarHBondContact O-CG 3.41Å; E199-R203 PolarHBondContact O-N 3.13Å; E199-R203 IonicContact OE1-NH2 2.98Å; E199-R203 PolarHBondContact OE1-NH2 2.68Å; E199-R203 IonicContact OE2-CZ 3.65Å; E199-R203 IonicContact OE2-NE 3.54Å; E199-R203 PolarHBondContact OE2-NE 3.28Å; E199-R203 IonicContact OE2-NH2 2.68Å; E199-R203 PolarHBondContact OE2-NH2 2.71Å
200	A	87.1	Confident	88.1	Confident	13 Å²	13	84 Å²	84	11%	0.107	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-64.2	-29.6	-169.9	0	0	0	0	0	113.6	F195 I196 P197 S198 R204	F195-A200 HydrophobicContact CE2-CB 3.55Å; F195-A200 HydrophobicContact CZ-CB 3.87Å; I196-A200 PolarHBondContact O-N 2.91Å; P197-A200 WeakPolarHBondContact O-CB 3.21Å; P197-A200 PolarHBondContact O-N 2.86Å; S198-A200 PolarHBondContact O-N 3.16Å; A200-R204 WeakPolarHBondContact O-CB 3.23Å; A200-R204 WeakPolarHBondContact O-CD 3.42Å; A200-R204 WeakPolarHBondContact O-CG 3.33Å
201	F	89.2	Confident	86.9	Confident	101 Å²	101	87.7 Å²	87.7	44%	0.443	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-54.1	173.8	179.5	-99.2	0	0	0	110.9	V101 E199 R203 R204 I205	V101-F201 HydrophobicContact CG2-CE2 4.28Å; E199-F201 VanDerWaalsContact C-N 3.27Å; E199-F201 PolarHBondContact O-N 2.92Å; F201-R203 VanDerWaalsContact C-N 3.33Å; F201-R203 PolarHBondContact O-N 3.33Å; F201-R204 CarbonylContact O-C 3.57Å; F201-R204 WeakPolarHBondContact O-CA 3.36Å; F201-R204 PolarHBondContact O-N 2.67Å; F201-I205 HydrophobicContact CD1-CD1 4.16Å; F201-I205 HydrophobicContact CD1-CG1 4.15Å; F201-I205 HydrophobicContact CE1-CD1 3.83Å; F201-I205 HydrophobicContact CE1-CG1 3.83Å; F201-I205 HydrophobicContact CZ-CG1 4.26Å; F201-I205 PolarHBondContact O-N 3.23Å
202	E	90.6	Very high	85.6	Confident	130 Å²	130	87.1 Å²	87.1	61%	0.607	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-55.5	-46.2	-178.1	-59.9	-179.5	159.1	0	0	112.2	E199 R204 I205	E199-E202 PolarHBondContact O-N 2.71Å; E202-R204 PolarHBondContact O-N 3Å; E202-R204 VanDerWaalsContact O-N 3.15Å; E202-I205 PolarHBondContact O-N 2.93Å
203	R	86.9	Confident	84	Confident	102 Å²	102	87.9 Å²	87.9	39%	0.385	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-65.8	-12.3	176	-66	177.4	-178.6	-170.8	9	113.9	R194 E199 F201	R194-R203 PolarHBondContact O-NH1 3.44Å; E199-R203 HydrophobicContact CB-CG 4.23Å; E199-R203 VanDerWaalsContact CD-NH2 3.26Å; E199-R203 WeakPolarHBondContact O-CB 3.31Å; E199-R203 WeakPolarHBondContact O-CG 3.41Å; E199-R203 PolarHBondContact O-N 3.13Å; E199-R203 IonicContact OE1-NH2 2.98Å; E199-R203 PolarHBondContact OE1-NH2 2.68Å; E199-R203 IonicContact OE2-CZ 3.65Å; E199-R203 IonicContact OE2-NE 3.54Å; E199-R203 PolarHBondContact OE2-NE 3.28Å; E199-R203 IonicContact OE2-NH2 2.68Å; E199-R203 PolarHBondContact OE2-NH2 2.71Å; F201-R203 VanDerWaalsContact C-N 3.33Å; F201-R203 PolarHBondContact O-N 3.33Å
204	R	90.4	Very high	82.2	Confident	101 Å²	101	83.9 Å²	83.9	38%	0.381	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-111.6	-7	-179.5	-71	179.5	-175.1	160.5	0.8	114.4	Y99 A200 F201 E202 L207	Y99-R204 HydrophobicContact CE1-CB 3.93Å; A200-R204 WeakPolarHBondContact O-CB 3.23Å; A200-R204 WeakPolarHBondContact O-CD 3.42Å; A200-R204 WeakPolarHBondContact O-CG 3.33Å; F201-R204 CarbonylContact O-C 3.57Å; F201-R204 WeakPolarHBondContact O-CA 3.36Å; F201-R204 PolarHBondContact O-N 2.67Å; E202-R204 PolarHBondContact O-N 3Å; E202-R204 VanDerWaalsContact O-N 3.15Å; R204-L207 HydrophobicContact CB-CD1 4.05Å; R204-L207 HydrophobicContact CG-CD1 3.94Å; R204-L207 VanDerWaalsContact O-CB 3.27Å; R204-L207 WeakPolarHBondContact O-CB 3.05Å; R204-L207 PolarHBondContact O-N 3.48Å
205	I	89.5	Confident	80.5	Confident	84 Å²	84	82 Å²	82	43%	0.431	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-48.4	-41	172.7	-66.8	172.2	0	0	0	112	F201 E202 L207 L208	F201-I205 HydrophobicContact CD1-CD1 4.16Å; F201-I205 HydrophobicContact CD1-CG1 4.15Å; F201-I205 HydrophobicContact CE1-CD1 3.83Å; F201-I205 HydrophobicContact CE1-CG1 3.83Å; F201-I205 HydrophobicContact CZ-CG1 4.26Å; F201-I205 PolarHBondContact O-N 3.23Å; E202-I205 PolarHBondContact O-N 2.93Å; I205-L207 PolarHBondContact O-N 2.98Å; I205-L208 HydrophobicContact CG2-CD1 4.46Å; I205-L208 WeakPolarHBondContact O-CB 3.38Å; I205-L208 VanDerWaalsContact O-CG 3.3Å; I205-L208 WeakPolarHBondContact O-CG 3.22Å; I205-L208 PolarHBondContact O-N 3.35Å; I205-L208 VanDerWaalsContact O-N 3.08Å
206	P	88.2	Confident	78.6	Confident	68 Å²	68	83.2 Å²	83.2	44%	0.442	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-70.2	3.7	177.1	-21	35.3	0	0	0	116.4	A25 L26	A25-P206 VanDerWaalsContact CB-O 3.23Å; A25-P206 WeakPolarHBondContact CB-O 3.47Å; L26-P206 HydrophobicContact CD1-CB 3.91Å; L26-P206 HydrophobicContact CG-CB 4.33Å
207	L	88	Confident	76.7	Confident	24 Å²	24	85.3 Å²	85.3	13%	0.126	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-92.9	-15.9	170.2	-59.7	178.4	0	0	0	112.5	L26 I30 Y99 I108 R204 I205	L26-L207 HydrophobicContact CD1-CD2 4.11Å; I30-L207 HydrophobicContact CD1-CD2 3.71Å; I30-L207 HydrophobicContact CG1-CD2 4.43Å; Y99-L207 HydrophobicContact CD1-CB 3.98Å; Y99-L207 HydrophobicContact CD1-CD1 4.39Å; I108-L207 HydrophobicContact CD1-CB 4.11Å; I108-L207 HydrophobicContact CD1-CD2 4.25Å; R204-L207 HydrophobicContact CB-CD1 4.05Å; R204-L207 HydrophobicContact CG-CD1 3.94Å; R204-L207 VanDerWaalsContact O-CB 3.27Å; R204-L207 WeakPolarHBondContact O-CB 3.05Å; R204-L207 PolarHBondContact O-N 3.48Å; I205-L207 PolarHBondContact O-N 2.98Å
208	L	88.2	Confident	74.8	Confident	39 Å²	39	85.8 Å²	85.8	20%	0.204	45%	0.449	C	S	.	.	S	Bend	trans	-69.5	169.8	179.2	-54.7	178.1	0	0	0	110.8	S23 Y99 V101 H106 I205	S23-L208 WeakPolarHBondContact CB-O 3.46Å; S23-L208 PolarHBondContact OG-O 3.23Å; Y99-L208 HydrophobicContact CD1-CD2 3.83Å; Y99-L208 HydrophobicContact CE1-CD2 3.72Å; V101-L208 HydrophobicContact CG1-CD2 3.7Å; H106-L208 VanDerWaalsContact CD2-CD2 3.43Å; H106-L208 WeakPolarHBondContact CD2-CD2 3.4Å; I205-L208 HydrophobicContact CG2-CD1 4.46Å; I205-L208 WeakPolarHBondContact O-CB 3.38Å; I205-L208 VanDerWaalsContact O-CG 3.3Å; I205-L208 WeakPolarHBondContact O-CG 3.22Å; I205-L208 PolarHBondContact O-N 3.35Å; I205-L208 VanDerWaalsContact O-N 3.08Å
209	Y	83.4	Confident	72.6	Confident	41 Å²	41	90.3 Å²	90.3	16%	0.161	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-88.5	119.3	168.2	-176.7	-87.2	0	0	0	109.3	Y21 N211 D213	Y21-Y209 HydrophobicContact CD1-CD1 4.34Å; Y21-Y209 HydrophobicContact CD1-CG 4.29Å; Y21-Y209 HydrophobicContact CG-CG 4.49Å; Y209-N211 PolarHBondContact O-N 3.29Å; Y209-D213 PolarHBondContact OH-O 3.03Å
210	S	75.5	Confident	70.2	Confident	53 Å²	53	92.5 Å²	92.5	37%	0.371	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-71.5	119.3	171.1	-35.7	0	0	0	0	109.2	D212 D213	S210-D212 PolarHBondContact O-N 3.2Å; S210-D213 WeakPolarHBondContact CB-OD2 3.29Å; S210-D213 PolarHBondContact O-N 3.36Å; S210-D213 PolarHBondContact OG-OD2 2.84Å
211	N	65.8	Low	68.2	Low	137 Å²	137	103 Å²	103	73%	0.733	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.9	176.6	-75.6	-39.3	0	0	0	113.7	Y209	Y209-N211 PolarHBondContact O-N 3.29Å
212	D	63.4	Low	66.5	Low	159 Å²	159	103.6 Å²	103.6	85%	0.85	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-18.5	174.5	-56.6	-62.2	0	0	0	113.4	S210	S210-D212 PolarHBondContact O-N 3.2Å
213	D	56.4	Low	64.7	Low	86 Å²	86	103.8 Å²	103.8	46%	0.46	52%	0.522	S	S	.	.	S	Bend	trans	-86.1	137.5	177.2	-75.3	-52.6	0	0	0	111	Y209 S210	Y209-D213 PolarHBondContact OH-O 3.03Å; S210-D213 WeakPolarHBondContact CB-OD2 3.29Å; S210-D213 PolarHBondContact O-N 3.36Å; S210-D213 PolarHBondContact OG-OD2 2.84Å
214	M	51.1	Low	63.5	Low	69 Å²	69	101 Å²	101	34%	0.34	53%	0.526	S	S	.	.			trans	70.9	72.7	168.1	-54.1	-61.1	-76.8	0	0	119.3	E216 L217	M214-E216 HydrophobicContact CE-CB 3.9Å; M214-E216 PolarHBondContact O-N 3.05Å; M214-E216 VanDerWaalsContact O-N 3.12Å; M214-L217 HydrophobicContact CB-CD1 4.39Å; M214-L217 HydrophobicContact CE-CD1 3.68Å
215	P	50.2	Low	62.6	Low	80 Å²	80	99.8 Å²	99.8	52%	0.519	53%	0.531	S	S	.	.	H	α-helix	trans	-64	-2.7	153.6	30.4	-36.4	0	0	0	114	T218 R219	P215-T218 PolarHBondContact O-OG1 3.3Å; P215-R219 VanDerWaalsContact O-CB 3.3Å; P215-R219 WeakPolarHBondContact O-CB 3.32Å; P215-R219 PolarHBondContact O-N 2.63Å
216	E	48.4	Very low	61.9	Low	130 Å²	130	98.1 Å²	98.1	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-84.6	-32.4	179.5	-62.1	-169.7	151.5	0	0	113.6	M214	M214-E216 HydrophobicContact CE-CB 3.9Å; M214-E216 PolarHBondContact O-N 3.05Å; M214-E216 VanDerWaalsContact O-N 3.12Å
217	L	48.6	Very low	61.5	Low	108 Å²	108	103 Å²	103	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-73.6	-28.5	174.5	-99.7	76.9	0	0	0	112.3	M214	M214-L217 HydrophobicContact CB-CD1 4.39Å; M214-L217 HydrophobicContact CE-CD1 3.68Å
218	T	48.1	Very low	60.9	Low	108 Å²	108	109 Å²	109	66%	0.663	57%	0.571	S	S	*	*	H	α-helix	trans	-89.5	-28.2	-177.8	46.2	0	0	0	0	113.5	P215	P215-T218 PolarHBondContact O-OG1 3.3Å
219	R	46.1	Very low	60.5	Low	198 Å²	198	112.5 Å²	112.5	75%	0.747	59%	0.586	S	S	*	*	H	α-helix	trans	-71	-37	176	-168	-179	-56.5	164	6.3	112.3	P215 R221	P215-R219 VanDerWaalsContact O-CB 3.3Å; P215-R219 WeakPolarHBondContact O-CB 3.32Å; P215-R219 PolarHBondContact O-N 2.63Å; R219-R221 PolarHBondContact O-N 2.69Å
220	N	40.2	Very low	60.4	Low	111 Å²	111	116.8 Å²	116.8	59%	0.594	60%	0.603	S	S	*	*	S	Bend	trans	-82.6	97.5	165	-72	-25.2	0	0	0	108.5	V222	N220-V222 HydrophobicContact CB-CG2 3.84Å; N220-V222 PolarHBondContact O-N 3.23Å
221	R	45.3	Very low	60.8	Low	234 Å²	234	117.2 Å²	117.2	88%	0.883	60%	0.603	S	S	*	*			trans	-64.1	83.9	155.7	-81.7	-170.1	174.9	-164.4	-1.4	107.9	R219 T223	R219-R221 PolarHBondContact O-N 2.69Å; R221-T223 PolarHBondContact O-N 3.14Å
222	V	52.5	Low	61.5	Low	114 Å²	114	115.5 Å²	115.5	69%	0.691	59%	0.594	S	S	*	*			trans	-71.2	83.5	170.8	-174.4	0	0	0	0	106.9	N220 G224	N220-V222 HydrophobicContact CB-CG2 3.84Å; N220-V222 PolarHBondContact O-N 3.23Å; V222-G224 VanDerWaalsContact C-N 3.34Å; V222-G224 PolarHBondContact O-N 3.28Å
223	T	53	Low	62.3	Low	133 Å²	133	112 Å²	112	82%	0.816	58%	0.582	S	S	*	*			trans	-45.2	113.1	140.1	-1.6	0	0	0	0	105.3	R221	R221-T223 PolarHBondContact O-N 3.14Å
224	G	61.6	Low	63.4	Low	44 Å²	44	112.3 Å²	112.3	45%	0.454	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-56.7	165.9	176.5	0	0	0	0	0	110.4	V222 S226	V222-G224 VanDerWaalsContact C-N 3.34Å; V222-G224 PolarHBondContact O-N 3.28Å; G224-S226 PolarHBondContact O-N 2.95Å
225	P	70.3	Confident	64.9	Low	75 Å²	75	112.9 Å²	112.9	49%	0.487	59%	0.587	S	S	.	*	S	Bend	trans	-47.7	134	169.2	22.8	-33.6	0	0	0	108.8	E229 Y230	P225-E229 WeakPolarHBondContact CA-OE2 3.32Å; P225-E229 HydrophobicContact CB-CB 3.7Å; P225-Y230 HydrophobicContact CG-CD2 4.07Å
226	S	75.5	Confident	66.2	Low	50 Å²	50	112.1 Å²	112.1	35%	0.35	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-52.1	157.3	178.1	67.7	0	0	0	0	110.3	G224 E228 E229 Y230	G224-S226 PolarHBondContact O-N 2.95Å; S226-E228 CarbonylContact O-C 3.51Å; S226-E228 PolarHBondContact O-N 3.04Å; S226-E229 PolarHBondContact N-OE2 3.33Å; S226-E229 CarbonylContact O-C 3.52Å; S226-E229 WeakPolarHBondContact O-CA 3.3Å; S226-E229 PolarHBondContact O-N 3.47Å; S226-E229 WeakPolarHBondContact OG-CB 3.39Å; S226-E229 VanDerWaalsContact OG-CG 3.28Å; S226-E229 WeakPolarHBondContact OG-CG 3.01Å; S226-E229 PolarHBondContact OG-N 3.44Å; S226-E229 PolarHBondContact OG-OE1 3.44Å; S226-Y230 PolarHBondContact O-N 3.36Å
227	Q	79.4	Confident	67	Low	170 Å²	170	111 Å²	111	79%	0.794	60%	0.595	S	S	*	*	H	α-helix	trans	-52.9	-34.9	-178.4	-175.2	178.3	-4.9	0	0	111.8	V231	Q227-V231 WeakPolarHBondContact O-CB 3.45Å; Q227-V231 WeakPolarHBondContact O-CG2 3.32Å; Q227-V231 PolarHBondContact O-N 3.36Å
228	E	75.9	Confident	67.9	Low	151 Å²	151	110.9 Å²	110.9	71%	0.706	60%	0.598	S	S	*	*	H	α-helix	trans	-69.1	-48	172.7	-60.5	-172.7	-176.6	0	0	112.7	S226 Y230 V231 N232	S226-E228 CarbonylContact O-C 3.51Å; S226-E228 PolarHBondContact O-N 3.04Å; E228-Y230 VanDerWaalsContact C-N 3.34Å; E228-Y230 PolarHBondContact O-N 3.25Å; E228-V231 PolarHBondContact O-N 3.32Å; E228-N232 WeakPolarHBondContact O-CB 3.35Å; E228-N232 PolarHBondContact O-N 3.23Å; E228-N232 PolarHBondContact O-ND2 3.15Å
229	E	80.7	Confident	68.3	Low	112 Å²	112	109.8 Å²	109.8	52%	0.523	59%	0.591	S	S	.	*	H	α-helix	trans	-60.8	-39.7	175.3	-74.9	149.8	-138	0	0	112.9	P225 S226 N232 S233	P225-E229 WeakPolarHBondContact CA-OE2 3.32Å; P225-E229 HydrophobicContact CB-CB 3.7Å; S226-E229 PolarHBondContact N-OE2 3.33Å; S226-E229 CarbonylContact O-C 3.52Å; S226-E229 WeakPolarHBondContact O-CA 3.3Å; S226-E229 PolarHBondContact O-N 3.47Å; S226-E229 WeakPolarHBondContact OG-CB 3.39Å; S226-E229 VanDerWaalsContact OG-CG 3.28Å; S226-E229 WeakPolarHBondContact OG-CG 3.01Å; S226-E229 PolarHBondContact OG-N 3.44Å; S226-E229 PolarHBondContact OG-OE1 3.44Å; E229-N232 PolarHBondContact O-N 3.1Å; E229-S233 WeakPolarHBondContact O-CB 3.5Å; E229-S233 PolarHBondContact O-N 2.93Å
230	Y	80.3	Confident	68.6	Low	131 Å²	131	105.6 Å²	105.6	51%	0.514	59%	0.59	S	S	.	*	H	α-helix	trans	-66.8	-47.1	178.2	-177.2	-111.3	0	0	0	110.9	P225 S226 E228 S233 L234	P225-Y230 HydrophobicContact CG-CD2 4.07Å; S226-Y230 PolarHBondContact O-N 3.36Å; E228-Y230 VanDerWaalsContact C-N 3.34Å; E228-Y230 PolarHBondContact O-N 3.25Å; Y230-S233 PolarHBondContact O-N 2.85Å; Y230-L234 HydrophobicContact CD1-CD1 4.02Å; Y230-L234 HydrophobicContact CE1-CD1 3.53Å; Y230-L234 HydrophobicContact CE1-CG 4.31Å; Y230-L234 HydrophobicContact CE2-CD1 4.49Å; Y230-L234 HydrophobicContact CE2-CG 4.46Å; Y230-L234 WeakPolarHBondContact O-CG 3.17Å; Y230-L234 PolarHBondContact O-N 3.03Å
231	V	83.3	Confident	68.9	Low	62 Å²	62	108.3 Å²	108.3	38%	0.376	60%	0.598	S	S	.	*	H	α-helix	trans	-61.4	-43.9	173.7	167.1	0	0	0	0	110.9	Q227 E228 S233 L234 L235	Q227-V231 WeakPolarHBondContact O-CB 3.45Å; Q227-V231 WeakPolarHBondContact O-CG2 3.32Å; Q227-V231 PolarHBondContact O-N 3.36Å; E228-V231 PolarHBondContact O-N 3.32Å; V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 3.04Å; V231-L234 PolarHBondContact O-N 3.05Å; V231-L235 HydrophobicContact CG1-CD1 3.62Å; V231-L235 HydrophobicContact CG1-CG 4.2Å; V231-L235 VanDerWaalsContact O-CB 3.23Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 VanDerWaalsContact O-CG 3.23Å; V231-L235 WeakPolarHBondContact O-CG 3.49Å; V231-L235 PolarHBondContact O-N 3.23Å
232	N	80.7	Confident	68.8	Low	101 Å²	101	102.6 Å²	102.6	54%	0.54	59%	0.589	S	S	.	*	H	α-helix	trans	-63.4	-37.1	175.7	-74.7	-40.4	0	0	0	112.2	E228 E229 A236	E228-N232 WeakPolarHBondContact O-CB 3.35Å; E228-N232 PolarHBondContact O-N 3.23Å; E228-N232 PolarHBondContact O-ND2 3.15Å; E229-N232 PolarHBondContact O-N 3.1Å; N232-A236 WeakPolarHBondContact O-CB 3.11Å; N232-A236 PolarHBondContact O-N 2.91Å
233	S	80.7	Confident	68.2	Low	86 Å²	86	101.3 Å²	101.3	60%	0.601	58%	0.582	S	S	*	*	H	α-helix	trans	-68.2	-43.7	177.4	-171.4	0	0	0	0	112.1	E229 Y230 V231	E229-S233 WeakPolarHBondContact O-CB 3.5Å; E229-S233 PolarHBondContact O-N 2.93Å; Y230-S233 PolarHBondContact O-N 2.85Å; V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 3.04Å
234	L	80.4	Confident	67.4	Low	91 Å²	91	100.4 Å²	100.4	48%	0.476	57%	0.571	S	S	.	*	H	α-helix	trans	-61.9	-50.1	171.8	-69.5	175.9	0	0	0	111	Y230 V231 A236 S237	Y230-L234 HydrophobicContact CD1-CD1 4.02Å; Y230-L234 HydrophobicContact CE1-CD1 3.53Å; Y230-L234 HydrophobicContact CE1-CG 4.31Å; Y230-L234 HydrophobicContact CE2-CD1 4.49Å; Y230-L234 HydrophobicContact CE2-CG 4.46Å; Y230-L234 WeakPolarHBondContact O-CG 3.17Å; Y230-L234 PolarHBondContact O-N 3.03Å; V231-L234 PolarHBondContact O-N 3.05Å; L234-A236 VanDerWaalsContact C-N 3.3Å; L234-A236 PolarHBondContact O-N 3.29Å; L234-S237 PolarHBondContact O-N 3.36Å; L234-S237 PolarHBondContact O-OG 3.47Å
235	L	81.8	Confident	66.6	Low	82 Å²	82	109.4 Å²	109.4	43%	0.429	59%	0.592	S	S	.	*	H	α-helix	trans	-70.9	-19.3	-177.6	-68.9	179.2	0	0	0	113.6	V231 S237 V238 T239	V231-L235 HydrophobicContact CG1-CD1 3.62Å; V231-L235 HydrophobicContact CG1-CG 4.2Å; V231-L235 VanDerWaalsContact O-CB 3.23Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 VanDerWaalsContact O-CG 3.23Å; V231-L235 WeakPolarHBondContact O-CG 3.49Å; V231-L235 PolarHBondContact O-N 3.23Å; L235-S237 PolarHBondContact O-N 3.44Å; L235-V238 CarbonylContact O-C 3.58Å; L235-V238 WeakPolarHBondContact O-CA 3.36Å; L235-V238 PolarHBondContact O-N 3.05Å; L235-T239 HydrophobicContact CB-CG2 4.45Å; L235-T239 PolarHBondContact O-N 2.96Å; L235-T239 PolarHBondContact O-OG1 3.49Å
236	A	77	Confident	65.1	Low	64 Å²	64	110.3 Å²	110.3	53%	0.529	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.6	-26	176.3	0	0	0	0	0	113	N232 L234 T239	N232-A236 WeakPolarHBondContact O-CB 3.11Å; N232-A236 PolarHBondContact O-N 2.91Å; L234-A236 VanDerWaalsContact C-N 3.3Å; L234-A236 PolarHBondContact O-N 3.29Å; A236-T239 WeakPolarHBondContact CA-OG1 3.27Å; A236-T239 PolarHBondContact O-OG1 3.47Å
237	S	66.7	Low	63.2	Low	107 Å²	107	117.9 Å²	117.9	75%	0.748	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-17.2	173.9	67.2	0	0	0	0	114.6	L234 L235	L234-S237 PolarHBondContact O-N 3.36Å; L234-S237 PolarHBondContact O-OG 3.47Å; L235-S237 PolarHBondContact O-N 3.44Å
238	V	65.7	Low	61.2	Low	105 Å²	105	117.1 Å²	117.1	64%	0.636	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-29.3	-173.7	-174.7	0	0	0	0	112.1	L235 P240	L235-V238 CarbonylContact O-C 3.58Å; L235-V238 WeakPolarHBondContact O-CA 3.36Å; L235-V238 PolarHBondContact O-N 3.05Å; V238-P240 WeakPolarHBondContact O-CD 3.1Å
239	T	57.5	Low	59.3	Low	84 Å²	84	115.2 Å²	115.2	52%	0.515	62%	0.619	S	S	.	*	S	Bend	trans	-58.6	119.1	171.3	47.9	0	0	0	0	108.3	L235 A236 H241	L235-T239 HydrophobicContact CB-CG2 4.45Å; L235-T239 PolarHBondContact O-N 2.96Å; L235-T239 PolarHBondContact O-OG1 3.49Å; A236-T239 WeakPolarHBondContact CA-OG1 3.27Å; A236-T239 PolarHBondContact O-OG1 3.47Å; T239-H241 PolarHBondContact O-N 3.19Å
240	P	52.7	Low	57.4	Low	111 Å²	111	115 Å²	115	72%	0.721	63%	0.627	S	S	*	*			trans	-64.6	108.1	176.5	26.5	-32.7	0	0	0	107.5	V238 V242	V238-P240 WeakPolarHBondContact O-CD 3.1Å; P240-V242 WeakPolarHBondContact O-CG2 3.36Å; P240-V242 PolarHBondContact O-N 3.18Å
241	H	46.5	Very low	55.8	Low	168 Å²	168	114.9 Å²	114.9	78%	0.778	64%	0.64	S	S	*	*			trans	-59.4	107.5	164.4	-154.6	-56.9	0	0	0	105.1	T239 V243	T239-H241 PolarHBondContact O-N 3.19Å; H241-V243 HydrophobicContact CB-CG2 4.11Å; H241-V243 PolarHBondContact O-N 3.49Å
242	V	43.6	Very low	54.5	Low	113 Å²	113	119.4 Å²	119.4	69%	0.685	66%	0.655	S	S	*	*			trans	-74.2	74.7	-178.3	-175.6	0	0	0	0	107.4	P240 D244	P240-V242 WeakPolarHBondContact O-CG2 3.36Å; P240-V242 PolarHBondContact O-N 3.18Å; V242-D244 PolarHBondContact O-N 3.47Å
243	V	39.5	Very low	53.7	Low	88 Å²	88	119.6 Å²	119.6	53%	0.533	66%	0.655	S	S	.	*			trans	-78	73.9	172.7	-162.8	0	0	0	0	106.8	H241 R245	H241-V243 HydrophobicContact CB-CG2 4.11Å; H241-V243 PolarHBondContact O-N 3.49Å; V243-R245 HydrophobicContact CB-CG 4.33Å; V243-R245 HydrophobicContact CG1-CG 3.55Å; V243-R245 PolarHBondContact O-N 3.45Å
244	D	36.4	Very low	53.3	Low	113 Å²	113	118.9 Å²	118.9	60%	0.604	65%	0.648	S	S	*	*			trans	-62.1	94.2	157.9	-172.1	-17.4	0	0	0	106.5	V242 S246 R247	V242-D244 PolarHBondContact O-N 3.47Å; D244-S246 PolarHBondContact O-N 3.26Å; D244-S246 PolarHBondContact OD1-OG 3.48Å; D244-R247 PolarHBondContact O-N 2.75Å
245	R	44.2	Very low	53.6	Low	233 Å²	233	118.2 Å²	118.2	88%	0.879	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	9.9	-169	-79.7	-176.3	169	178.8	-3.9	113.6	V243	V243-R245 HydrophobicContact CB-CG 4.33Å; V243-R245 HydrophobicContact CG1-CG 3.55Å; V243-R245 PolarHBondContact O-N 3.45Å
246	S	38	Very low	54	Low	94 Å²	94	115.5 Å²	115.5	66%	0.657	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-3	-177.4	73.3	0	0	0	0	114.9	D244	D244-S246 PolarHBondContact O-N 3.26Å; D244-S246 PolarHBondContact OD1-OG 3.48Å
247	R	36.2	Very low	54.7	Low	210 Å²	210	112.8 Å²	112.8	79%	0.792	61%	0.612	S	S	*	*			trans	-155.5	124.4	170.2	-118.8	172.9	-179.3	177.7	-0.9	115.2	D244 E249	D244-R247 PolarHBondContact O-N 2.75Å; R247-E249 VanDerWaalsContact C-N 3.27Å; R247-E249 PolarHBondContact O-N 2.83Å; R247-E249 VanDerWaalsContact O-N 3.09Å
248	T	36.6	Very low	55.9	Low	153 Å²	153	112.4 Å²	112.4	94%	0.939	60%	0.598	S	S	*	*			trans	-82.4	67.3	166	50.8	0	0	0	0	111.3
249	E	37.4	Very low	57.1	Low	112 Å²	112	108 Å²	108	52%	0.523	57%	0.572	S	S	.	*	S	Bend	trans	-115.3	139.7	161.4	-85.2	-87.9	130	0	0	107.5	R247 V251 K252	R247-E249 VanDerWaalsContact C-N 3.27Å; R247-E249 PolarHBondContact O-N 2.83Å; R247-E249 VanDerWaalsContact O-N 3.09Å; E249-V251 PolarHBondContact O-N 3.22Å; E249-K252 IonicContact OE2-NZ 2.68Å; E249-K252 PolarHBondContact OE2-NZ 3.45Å
250	P	39.6	Very low	58.9	Low	106 Å²	106	104 Å²	104	69%	0.688	55%	0.547	S	S	*	.			trans	-61.9	134.8	169.8	28.1	-33.4	0	0	0	109	K252	P250-K252 PolarHBondContact O-N 2.59Å
251	V	46.8	Very low	60.9	Low	130 Å²	130	102.2 Å²	102.2	79%	0.788	53%	0.529	S	S	*	.			trans	-59.2	100.2	-177.7	-179.4	0	0	0	0	109.4	E249 L253	E249-V251 PolarHBondContact O-N 3.22Å; V251-L253 PolarHBondContact O-N 3.1Å
252	K	55.6	Low	63.1	Low	157 Å²	157	97 Å²	97	68%	0.683	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-58.9	134.4	178.8	-97	165.5	-178.1	129.9	0	109	E249 P250	E249-K252 IonicContact OE2-NZ 2.68Å; E249-K252 PolarHBondContact OE2-NZ 3.45Å; P250-K252 PolarHBondContact O-N 2.59Å
253	L	65.2	Low	65.5	Low	104 Å²	104	92.1 Å²	92.1	55%	0.545	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-59	136.6	171.9	-77.4	71.7	0	0	0	108.1	V251 T255 K284	V251-L253 PolarHBondContact O-N 3.1Å; L253-T255 PolarHBondContact O-N 3.37Å; L253-K284 HydrophobicContact CD2-CD 3.66Å; L253-K284 HydrophobicContact CD2-CG 3.98Å
254	P	73	Confident	68.2	Low	71 Å²	71	88 Å²	88	46%	0.461	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-59.5	124	177	25.4	-33.7	0	0	0	109.2	E258	P254-E258 HydrophobicContact CB-CB 4.49Å
255	T	86.2	Confident	70.9	Confident	77 Å²	77	85.9 Å²	85.9	47%	0.472	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-62.7	161	175.5	62.3	0	0	0	0	110.5	L253 G257 E258 L259	L253-T255 PolarHBondContact O-N 3.37Å; T255-G257 PolarHBondContact O-N 2.89Å; T255-G257 VanDerWaalsContact O-N 3.15Å; T255-E258 VanDerWaalsContact CB-OE2 3.26Å; T255-E258 WeakPolarHBondContact CB-OE2 3.47Å; T255-E258 VanDerWaalsContact CG2-OE2 3.31Å; T255-E258 WeakPolarHBondContact CG2-OE2 3.41Å; T255-E258 PolarHBondContact N-OE2 3.49Å; T255-E258 PolarHBondContact O-N 3.4Å; T255-E258 VanDerWaalsContact O-N 3.13Å; T255-E258 VanDerWaalsContact OG1-CD 3.28Å; T255-E258 WeakPolarHBondContact OG1-CG 3.49Å; T255-E258 PolarHBondContact OG1-N 3.27Å; T255-E258 PolarHBondContact OG1-OE2 3.25Å; T255-L259 PolarHBondContact O-N 3.47Å
256	L	89.8	Confident	73.2	Confident	26 Å²	26	82.9 Å²	82.9	14%	0.136	44%	0.435	C	S	.	.	H	α-helix	trans	-54.6	-35.6	176.3	-176.7	59	0	0	0	111.9	I260 L279 F283 V294 Y297	L256-I260 HydrophobicContact CD1-CD1 4.17Å; L256-I260 HydrophobicContact CD1-CG1 4.43Å; L256-I260 HydrophobicContact CG-CD1 3.99Å; L256-I260 WeakPolarHBondContact O-CB 3.45Å; L256-I260 WeakPolarHBondContact O-CD1 3.27Å; L256-I260 WeakPolarHBondContact O-CG1 3.41Å; L256-I260 PolarHBondContact O-N 2.85Å; L256-L279 HydrophobicContact CD1-CD1 4.48Å; L256-L279 HydrophobicContact CD1-CD2 4.23Å; L256-F283 HydrophobicContact CB-CE2 4.46Å; L256-V294 HydrophobicContact CD1-CG2 4.43Å; L256-Y297 HydrophobicContact CD2-CD2 4.04Å; L256-Y297 HydrophobicContact CD2-CE2 4.32Å; L256-Y297 HydrophobicContact CG-CD2 4.38Å
257	G	91.4	Very high	75.9	Confident	7 Å²	7	80.6 Å²	80.6	7%	0.072	42%	0.422	C	S	.	.	H	α-helix	trans	-65.4	-49.7	175.2	0	0	0	0	0	113.3	T255 L259 I260 Q261 F301	T255-G257 PolarHBondContact O-N 2.89Å; T255-G257 VanDerWaalsContact O-N 3.15Å; G257-L259 VanDerWaalsContact C-N 3.34Å; G257-L259 PolarHBondContact O-N 2.93Å; G257-I260 PolarHBondContact O-N 3.14Å; G257-Q261 WeakPolarHBondContact O-CB 3.13Å; G257-Q261 PolarHBondContact O-N 3.38Å; G257-F301 WeakPolarHBondContact O-CE2 3.46Å
258	E	91.4	Very high	78.7	Confident	98 Å²	98	72.9 Å²	72.9	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-64.7	-36.8	178.9	-68.8	158.4	135	0	0	112.1	P254 T255 Q261 T262	P254-E258 HydrophobicContact CB-CB 4.49Å; T255-E258 VanDerWaalsContact CB-OE2 3.26Å; T255-E258 WeakPolarHBondContact CB-OE2 3.47Å; T255-E258 VanDerWaalsContact CG2-OE2 3.31Å; T255-E258 WeakPolarHBondContact CG2-OE2 3.41Å; T255-E258 PolarHBondContact N-OE2 3.49Å; T255-E258 PolarHBondContact O-N 3.4Å; T255-E258 VanDerWaalsContact O-N 3.13Å; T255-E258 VanDerWaalsContact OG1-CD 3.28Å; T255-E258 WeakPolarHBondContact OG1-CG 3.49Å; T255-E258 PolarHBondContact OG1-N 3.27Å; T255-E258 PolarHBondContact OG1-OE2 3.25Å; E258-Q261 PolarHBondContact O-N 3.24Å; E258-T262 VanDerWaalsContact O-CB 3.29Å; E258-T262 WeakPolarHBondContact O-CB 3.47Å; E258-T262 PolarHBondContact O-N 2.83Å; E258-T262 PolarHBondContact O-OG1 2.9Å
259	L	92.2	Very high	81.6	Confident	14 Å²	14	66.8 Å²	66.8	7%	0.073	36%	0.357	C	S	.	.	H	α-helix	trans	-68.4	-42.6	175.1	-174	67.4	0	0	0	111.5	T255 G257 T262 I263 L279 R282 F283	T255-L259 PolarHBondContact O-N 3.47Å; G257-L259 VanDerWaalsContact C-N 3.34Å; G257-L259 PolarHBondContact O-N 2.93Å; L259-T262 PolarHBondContact O-N 3.34Å; L259-I263 HydrophobicContact CD1-CD1 4.47Å; L259-I263 HydrophobicContact CG-CD1 4.23Å; L259-I263 WeakPolarHBondContact O-CG1 3.32Å; L259-I263 PolarHBondContact O-N 2.9Å; L259-L279 HydrophobicContact CB-CD2 4.28Å; L259-L279 HydrophobicContact CD2-CD2 3.65Å; L259-L279 HydrophobicContact CG-CD2 3.73Å; L259-R282 HydrophobicContact CD1-CB 4.01Å; L259-R282 HydrophobicContact CD2-CB 4.01Å; L259-F283 HydrophobicContact CD2-CD2 3.99Å
260	I	94.6	Very high	84.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.8	-50.3	171.8	-73.4	166.2	0	0	0	110.1	L256 G257 T262 I263 M264 L279 V294 L298 F301	L256-I260 HydrophobicContact CD1-CD1 4.17Å; L256-I260 HydrophobicContact CD1-CG1 4.43Å; L256-I260 HydrophobicContact CG-CD1 3.99Å; L256-I260 WeakPolarHBondContact O-CB 3.45Å; L256-I260 WeakPolarHBondContact O-CD1 3.27Å; L256-I260 WeakPolarHBondContact O-CG1 3.41Å; L256-I260 PolarHBondContact O-N 2.85Å; G257-I260 PolarHBondContact O-N 3.14Å; I260-T262 VanDerWaalsContact C-N 3.32Å; I260-T262 PolarHBondContact O-N 3.01Å; I260-I263 PolarHBondContact O-N 3.13Å; I260-M264 HydrophobicContact CG2-CG 4.14Å; I260-M264 WeakPolarHBondContact O-CB 3.34Å; I260-M264 VanDerWaalsContact O-CG 3.3Å; I260-M264 WeakPolarHBondContact O-CG 3.45Å; I260-M264 PolarHBondContact O-N 3.36Å; I260-L279 HydrophobicContact CD1-CD1 4.44Å; I260-L279 HydrophobicContact CG1-CD1 3.91Å; I260-L279 HydrophobicContact CG1-CD2 3.77Å; I260-L279 HydrophobicContact CG1-CG 4.49Å; I260-V294 HydrophobicContact CD1-CG1 4.13Å; I260-L298 HydrophobicContact CG2-CD1 3.8Å; I260-F301 HydrophobicContact CB-CD2 4.38Å; I260-F301 HydrophobicContact CG2-CB 4.34Å; I260-F301 HydrophobicContact CG2-CD2 3.78Å; I260-F301 HydrophobicContact CG2-CG 4.4Å
261	Q	94.7	Very high	87.1	Confident	72 Å²	72	60.9 Å²	60.9	34%	0.336	32%	0.317	S	S	.	.	H	α-helix	trans	-56.6	-45.7	178	-175.3	177.2	-7.6	0	0	111.6	G257 E258 I263 M264 I265 F301 I315	G257-Q261 WeakPolarHBondContact O-CB 3.13Å; G257-Q261 PolarHBondContact O-N 3.38Å; E258-Q261 PolarHBondContact O-N 3.24Å; Q261-I263 PolarHBondContact O-N 3.12Å; Q261-M264 PolarHBondContact O-N 2.91Å; Q261-I265 HydrophobicContact CG-CD1 3.92Å; Q261-I265 WeakPolarHBondContact O-CG1 3.37Å; Q261-I265 PolarHBondContact O-N 2.87Å; Q261-F301 HydrophobicContact CB-CD1 3.69Å; Q261-F301 HydrophobicContact CB-CE1 3.8Å; Q261-F301 HydrophobicContact CB-CG 4.1Å; Q261-F301 HydrophobicContact CB-CZ 4.3Å; Q261-F301 HydrophobicContact CG-CD1 3.79Å; Q261-F301 HydrophobicContact CG-CE1 4.01Å; Q261-I315 HydrophobicContact CG-CG2 4.3Å
262	T	93.5	Very high	89.5	Confident	59 Å²	59	55.1 Å²	55.1	36%	0.362	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-40.6	179.1	-61.5	0	0	0	0	112.5	E258 L259 I260 K266	E258-T262 VanDerWaalsContact O-CB 3.29Å; E258-T262 WeakPolarHBondContact O-CB 3.47Å; E258-T262 PolarHBondContact O-N 2.83Å; E258-T262 PolarHBondContact O-OG1 2.9Å; L259-T262 PolarHBondContact O-N 3.34Å; I260-T262 VanDerWaalsContact C-N 3.32Å; I260-T262 PolarHBondContact O-N 3.01Å; T262-K266 WeakPolarHBondContact O-CG 3.42Å; T262-K266 PolarHBondContact O-N 3.48Å
263	I	94.2	Very high	91.4	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-44.3	175.7	-67	167.6	0	0	0	110.4	L259 I260 Q261 I265 K266 A267 I270 L275 C278 L279	L259-I263 HydrophobicContact CD1-CD1 4.47Å; L259-I263 HydrophobicContact CG-CD1 4.23Å; L259-I263 WeakPolarHBondContact O-CG1 3.32Å; L259-I263 PolarHBondContact O-N 2.9Å; I260-I263 PolarHBondContact O-N 3.13Å; Q261-I263 PolarHBondContact O-N 3.12Å; I263-I265 PolarHBondContact O-N 2.7Å; I263-K266 PolarHBondContact O-N 2.63Å; I263-A267 WeakPolarHBondContact O-CB 3.44Å; I263-A267 PolarHBondContact O-N 2.94Å; I263-I270 HydrophobicContact CG2-CD1 4.21Å; I263-L275 HydrophobicContact CB-CD1 4.23Å; I263-L275 HydrophobicContact CD1-CD1 4.38Å; I263-L275 HydrophobicContact CG2-CD1 3.68Å; I263-C278 HydrophobicContact CD1-CB 4.2Å; I263-L279 HydrophobicContact CD1-CD2 3.69Å; I263-L279 HydrophobicContact CD1-CG 4.05Å
264	M	95.3	Very high	92.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-37.9	-179.5	-71.2	-48.3	-58.7	0	0	112.7	I260 Q261 Q268 I270 L275 L298 A302 W309 A311	I260-M264 HydrophobicContact CG2-CG 4.14Å; I260-M264 WeakPolarHBondContact O-CB 3.34Å; I260-M264 VanDerWaalsContact O-CG 3.3Å; I260-M264 WeakPolarHBondContact O-CG 3.45Å; I260-M264 PolarHBondContact O-N 3.36Å; Q261-M264 PolarHBondContact O-N 2.91Å; M264-Q268 VanDerWaalsContact O-CA 3.25Å; M264-Q268 WeakPolarHBondContact O-CA 3.48Å; M264-Q268 PolarHBondContact O-N 3.03Å; M264-I270 HydrophobicContact CE-CG2 4.17Å; M264-I270 HydrophobicContact SD-CG2 3.73Å; M264-L275 HydrophobicContact SD-CD2 4.37Å; M264-L298 HydrophobicContact CG-CD1 4.14Å; M264-L298 HydrophobicContact SD-CD1 4.09Å; M264-A302 HydrophobicContact CE-CB 3.73Å; M264-A302 HydrophobicContact CG-CB 4.48Å; M264-A302 HydrophobicContact SD-CB 4.45Å; M264-W309 HydrophobicContact CE-CB 4.36Å; M264-A311 HydrophobicContact CB-CB 3.98Å; M264-A311 HydrophobicContact CE-CB 3.94Å; M264-A311 VanDerWaalsContact CE-N 3.33Å; M264-A311 VanDerWaalsContact O-CB 3.31Å; M264-A311 WeakPolarHBondContact O-CB 3.47Å
265	I	93.7	Very high	93.9	Very high	69 Å²	69	47.2 Å²	47.2	35%	0.354	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-47.7	172.9	-72.4	164.9	0	0	0	111.1	Q261 I263 Q268 I315	Q261-I265 HydrophobicContact CG-CD1 3.92Å; Q261-I265 WeakPolarHBondContact O-CG1 3.37Å; Q261-I265 PolarHBondContact O-N 2.87Å; I263-I265 PolarHBondContact O-N 2.7Å; I265-Q268 WeakPolarHBondContact O-CG 3.47Å; I265-I315 HydrophobicContact CD1-CG2 3.84Å; I265-I315 HydrophobicContact CG1-CG2 3.61Å
266	K	93.2	Very high	94.3	Very high	170 Å²	170	43.8 Å²	43.8	74%	0.739	22%	0.217	S	C	*	.	H	α-helix	trans	-75	-35	-174.9	-70.4	-177.2	176.8	-176.2	0	113.5	T262 I263	T262-K266 WeakPolarHBondContact O-CG 3.42Å; T262-K266 PolarHBondContact O-N 3.48Å; I263-K266 PolarHBondContact O-N 2.63Å
267	A	93.7	Very high	94.5	Very high	46 Å²	46	46 Å²	46	38%	0.38	23%	0.228	S	C	.	.	H	α-helix	trans	-86.4	-34.8	179.4	0	0	0	0	0	113.2	I263 L269 I270	I263-A267 WeakPolarHBondContact O-CB 3.44Å; I263-A267 PolarHBondContact O-N 2.94Å; A267-L269 PolarHBondContact O-N 3.23Å; A267-I270 HydrophobicContact CB-CB 4.44Å; A267-I270 HydrophobicContact CB-CD1 4.43Å
268	Q	95.7	Very high	94.5	Very high	49 Å²	49	47.3 Å²	47.3	23%	0.229	24%	0.236	C	C	.	.	S	Bend	trans	58	-31.1	-169.1	-54.7	-166.9	12.1	0	0	116.5	M264 I265 V310 A311 I316 S372	M264-Q268 VanDerWaalsContact O-CA 3.25Å; M264-Q268 WeakPolarHBondContact O-CA 3.48Å; M264-Q268 PolarHBondContact O-N 3.03Å; I265-Q268 WeakPolarHBondContact O-CG 3.47Å; Q268-V310 WeakPolarHBondContact O-CA 3.06Å; Q268-A311 PolarHBondContact O-N 3.48Å; Q268-I316 HydrophobicContact CB-CD1 4.09Å; Q268-I316 HydrophobicContact CG-CD1 3.76Å; Q268-I316 HydrophobicContact CG-CG1 4.38Å; Q268-S372 PolarHBondContact OE1-OG 3.35Å
269	L	96	Very high	94.6	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.131	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	127.3	-179.7	171	68.1	0	0	0	109.2	A267 W308 W309 V310 F390 Y391	A267-L269 PolarHBondContact O-N 3.23Å; L269-W308 HydrophobicContact CD1-CB 3.73Å; L269-W308 HydrophobicContact CD1-CD2 4.22Å; L269-W308 HydrophobicContact CD1-CE3 3.82Å; L269-W308 HydrophobicContact CD1-CG 4.23Å; L269-W308 HydrophobicContact CD2-CE3 4.4Å; L269-W308 HydrophobicContact CG-CE3 3.89Å; L269-W308 HydrophobicContact CG-CZ3 4.39Å; L269-W309 WeakPolarHBondContact CA-O 3.41Å; L269-V310 HydrophobicContact CD1-CG2 3.83Å; L269-F390 HydrophobicContact CD1-CE2 4.08Å; L269-F390 HydrophobicContact CD1-CZ 3.77Å; L269-F390 HydrophobicContact CD2-CE2 4.47Å; L269-Y391 HydrophobicContact CD2-CD2 3.41Å; L269-Y391 VanDerWaalsContact CD2-CD2 3.41Å; L269-Y391 HydrophobicContact CD2-CE2 3.37Å; L269-Y391 HydrophobicContact CD2-CG 4.37Å
270	I	96.9	Very high	94.6	Very high	20 Å²	20	46.6 Å²	46.6	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.9	-178.2	-160.6	165.3	0	0	0	112.3	I263 M264 A267 K274 L275 W309	I263-I270 HydrophobicContact CG2-CD1 4.21Å; M264-I270 HydrophobicContact CE-CG2 4.17Å; M264-I270 HydrophobicContact SD-CG2 3.73Å; A267-I270 HydrophobicContact CB-CB 4.44Å; A267-I270 HydrophobicContact CB-CD1 4.43Å; I270-K274 HydrophobicContact CD1-CB 4.25Å; I270-K274 HydrophobicContact CG1-CB 3.99Å; I270-L275 HydrophobicContact CD1-CB 4.12Å; I270-L275 HydrophobicContact CG1-CB 4.44Å; I270-L275 HydrophobicContact CG2-CB 4.06Å; I270-W309 HydrophobicContact CG2-CB 4.32Å; I270-W309 PolarHBondContact N-O 3.31Å; I270-W309 PolarHBondContact O-N 3.49Å
271	R	96.4	Very high	94.2	Very high	73 Å²	73	53.1 Å²	53.1	28%	0.275	26%	0.259	S	S	.	.			trans	-78.1	149.5	165.9	-67.5	-171.2	73.3	-178.6	2.2	110	D273 K274 L275 W308 D394 D396	R271-D273 VanDerWaalsContact C-N 3.34Å; R271-D273 WeakPolarHBondContact CB-OD1 3.45Å; R271-D273 IonicContact NE-OD1 2.63Å; R271-D273 PolarHBondContact O-N 3.02Å; R271-K274 HydrophobicContact CB-CG 4.45Å; R271-K274 PolarHBondContact O-N 2.89Å; R271-L275 PolarHBondContact O-N 3.01Å; R271-W308 HydrophobicContact CG-CD2 3.95Å; R271-W308 HydrophobicContact CG-CE3 3.77Å; R271-W308 HydrophobicContact CG-CH2 3.75Å; R271-W308 HydrophobicContact CG-CZ2 3.92Å; R271-W308 HydrophobicContact CG-CZ3 3.68Å; R271-D394 IonicContact CZ-OD1 2.7Å; R271-D394 IonicContact CZ-OD2 3.48Å; R271-D394 VanDerWaalsContact CZ-OD2 3.29Å; R271-D394 IonicContact NE-OD1 3.2Å; R271-D394 IonicContact NE-OD2 2.68Å; R271-D394 PolarHBondContact NE-OD2 2.66Å; R271-D394 IonicContact NH2-OD1 3.21Å; R271-D394 PolarHBondContact NH2-OD1 2.83Å; R271-D394 IonicContact NH2-OD2 2.89Å; R271-D394 PolarHBondContact NH2-OD2 2.9Å; R271-D396 IonicContact CZ-OD2 2.7Å; R271-D396 IonicContact NH1-OD2 2.75Å; R271-D396 IonicContact NH2-OD2 2.99Å; R271-D396 PolarHBondContact NH2-OD2 2.77Å
272	F	97.1	Very high	93.7	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-36.3	-176.7	-177.7	-109.2	0	0	0	113.6	K274 L275 V276 N291 V294 L295 L298 W309 F397 Y401	F272-K274 PolarHBondContact O-N 3.08Å; F272-L275 PolarHBondContact O-N 3.21Å; F272-V276 HydrophobicContact CD1-CG2 4.39Å; F272-V276 HydrophobicContact CD2-CG2 4.43Å; F272-V276 HydrophobicContact CE1-CG2 3.9Å; F272-V276 HydrophobicContact CE2-CG2 3.93Å; F272-V276 HydrophobicContact CZ-CG2 3.64Å; F272-V276 WeakPolarHBondContact O-CG2 3.4Å; F272-V276 PolarHBondContact O-N 2.95Å; F272-N291 HydrophobicContact CE1-CB 4.17Å; F272-N291 HydrophobicContact CZ-CB 4.06Å; F272-V294 HydrophobicContact CE2-CB 4.41Å; F272-V294 HydrophobicContact CE2-CG1 3.89Å; F272-L295 HydrophobicContact CD2-CD2 3.95Å; F272-L295 HydrophobicContact CE1-CD1 4.24Å; F272-L295 HydrophobicContact CE1-CG 4.44Å; F272-L295 HydrophobicContact CE2-CD1 4.26Å; F272-L295 HydrophobicContact CE2-CD2 3.44Å; F272-L295 VanDerWaalsContact CE2-CD2 3.44Å; F272-L295 HydrophobicContact CE2-CG 3.58Å; F272-L295 HydrophobicContact CZ-CD1 3.74Å; F272-L295 HydrophobicContact CZ-CD2 3.81Å; F272-L295 HydrophobicContact CZ-CG 3.53Å; F272-L298 HydrophobicContact CD2-CD2 4.14Å; F272-L298 HydrophobicContact CE2-CD2 4.34Å; F272-W309 AromaticContact CD2-NE1 3.83Å; F272-F397 HydrophobicContact CB-CD2 3.41Å; F272-F397 VanDerWaalsContact CB-CD2 3.41Å; F272-F397 HydrophobicContact CB-CE2 3.64Å; F272-F397 HydrophobicContact CB-CG 4.47Å; F272-F397 AromaticContact CD1-CD2 3.93Å; F272-F397 HydrophobicContact CD1-CD2 3.93Å; F272-F397 AromaticContact CD1-CE2 3.82Å; F272-F397 HydrophobicContact CD1-CE2 3.82Å; F272-F397 HydrophobicContact CD2-CE2 4Å; F272-F397 AromaticContact CG-CD2 3.75Å; F272-F397 HydrophobicContact CG-CD2 3.75Å; F272-F397 AromaticContact CG-CE2 3.54Å; F272-F397 HydrophobicContact CG-CE2 3.54Å; F272-Y401 HydrophobicContact CD1-CE2 4.01Å; F272-Y401 AromaticContact CE1-CE2 3.84Å; F272-Y401 HydrophobicContact CE1-CE2 3.84Å
273	D	94.9	Very high	93.3	Very high	59 Å²	59	56.3 Å²	56.3	32%	0.316	26%	0.263	S	S	.	.	H	α-helix	trans	-60.6	-44.3	176	72.7	-54.3	0	0	0	111.5	R271 V276 I277	R271-D273 VanDerWaalsContact C-N 3.34Å; R271-D273 WeakPolarHBondContact CB-OD1 3.45Å; R271-D273 IonicContact NE-OD1 2.63Å; R271-D273 PolarHBondContact O-N 3.02Å; D273-V276 PolarHBondContact O-N 3.39Å; D273-I277 WeakPolarHBondContact O-CD1 3.42Å; D273-I277 VanDerWaalsContact O-CG1 3.31Å; D273-I277 WeakPolarHBondContact O-CG1 3.28Å; D273-I277 PolarHBondContact O-N 3.23Å
274	K	95.4	Very high	92.4	Very high	107 Å²	107	64.4 Å²	64.4	47%	0.465	30%	0.298	S	S	.	.	H	α-helix	trans	-68.7	-37.1	178.8	-58.4	-49	176.7	-150.1	0	112.4	I270 R271 F272 I277 C278	I270-K274 HydrophobicContact CD1-CB 4.25Å; I270-K274 HydrophobicContact CG1-CB 3.99Å; R271-K274 HydrophobicContact CB-CG 4.45Å; R271-K274 PolarHBondContact O-N 2.89Å; F272-K274 PolarHBondContact O-N 3.08Å; K274-I277 HydrophobicContact CD-CD1 4.28Å; K274-I277 PolarHBondContact O-N 2.9Å; K274-C278 PolarHBondContact O-N 2.82Å; K274-C278 PolarHBondContact O-SG 3.47Å; K274-C278 VanDerWaalsContact O-SG 3.41Å
275	L	96	Very high	91.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-48	173	178.1	60.5	0	0	0	111.5	I263 M264 I270 R271 F272 I277 C278 L279 V294 L298	I263-L275 HydrophobicContact CB-CD1 4.23Å; I263-L275 HydrophobicContact CD1-CD1 4.38Å; I263-L275 HydrophobicContact CG2-CD1 3.68Å; M264-L275 HydrophobicContact SD-CD2 4.37Å; I270-L275 HydrophobicContact CD1-CB 4.12Å; I270-L275 HydrophobicContact CG1-CB 4.44Å; I270-L275 HydrophobicContact CG2-CB 4.06Å; R271-L275 PolarHBondContact O-N 3.01Å; F272-L275 PolarHBondContact O-N 3.21Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 PolarHBondContact O-N 3.11Å; L275-C278 PolarHBondContact O-N 2.81Å; L275-L279 HydrophobicContact CD1-CD1 4.08Å; L275-L279 HydrophobicContact CD1-CG 4.17Å; L275-L279 HydrophobicContact CG-CD1 3.95Å; L275-L279 HydrophobicContact CG-CG 4.48Å; L275-L279 WeakPolarHBondContact O-CB 3.3Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.4Å; L275-L279 PolarHBondContact O-N 2.86Å; L275-V294 HydrophobicContact CD2-CG1 4.27Å; L275-L298 HydrophobicContact CD2-CD1 3.67Å; L275-L298 HydrophobicContact CD2-CD2 3.51Å; L275-L298 HydrophobicContact CD2-CG 4.24Å
276	V	94.7	Very high	90.9	Very high	6 Å²	6	67.1 Å²	67.1	4%	0.036	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-37.7	179.3	173.2	0	0	0	0	111.9	F272 D273 L279 R280	F272-V276 HydrophobicContact CD1-CG2 4.39Å; F272-V276 HydrophobicContact CD2-CG2 4.43Å; F272-V276 HydrophobicContact CE1-CG2 3.9Å; F272-V276 HydrophobicContact CE2-CG2 3.93Å; F272-V276 HydrophobicContact CZ-CG2 3.64Å; F272-V276 WeakPolarHBondContact O-CG2 3.4Å; F272-V276 PolarHBondContact O-N 2.95Å; D273-V276 PolarHBondContact O-N 3.39Å; V276-L279 PolarHBondContact O-N 3.44Å; V276-R280 VanDerWaalsContact CG1-CZ 3.44Å; V276-R280 WeakPolarHBondContact O-CG 3.23Å; V276-R280 PolarHBondContact O-N 3.09Å
277	I	93	Very high	90.3	Very high	72 Å²	72	66.8 Å²	66.8	37%	0.369	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-54.7	173.1	-69.3	163.2	0	0	0	110.6	D273 K274 L275 L279 R280 E281	D273-I277 WeakPolarHBondContact O-CD1 3.42Å; D273-I277 VanDerWaalsContact O-CG1 3.31Å; D273-I277 WeakPolarHBondContact O-CG1 3.28Å; D273-I277 PolarHBondContact O-N 3.23Å; K274-I277 HydrophobicContact CD-CD1 4.28Å; K274-I277 PolarHBondContact O-N 2.9Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 PolarHBondContact O-N 3.11Å; I277-L279 PolarHBondContact O-N 2.97Å; I277-L279 VanDerWaalsContact O-N 3.16Å; I277-R280 PolarHBondContact O-N 3.36Å; I277-E281 HydrophobicContact CG2-CG 4.33Å; I277-E281 VanDerWaalsContact CG2-OE1 3.31Å; I277-E281 WeakPolarHBondContact CG2-OE1 3.35Å; I277-E281 WeakPolarHBondContact O-CG 3.38Å; I277-E281 PolarHBondContact O-N 3.12Å
278	C	92.6	Very high	89.7	Confident	35 Å²	35	67 Å²	67	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-16.8	-178.6	-66.8	0	0	0	0	114.6	I263 K274 L275 R282	I263-C278 HydrophobicContact CD1-CB 4.2Å; K274-C278 PolarHBondContact O-N 2.82Å; K274-C278 PolarHBondContact O-SG 3.47Å; K274-C278 VanDerWaalsContact O-SG 3.41Å; L275-C278 PolarHBondContact O-N 2.81Å; C278-R282 WeakPolarHBondContact O-CD 3.32Å; C278-R282 WeakPolarHBondContact O-CG 2.97Å
279	L	92.7	Very high	89.3	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-77.3	-47.9	168.1	-71.6	167.8	0	0	0	111.1	L256 L259 I260 I263 L275 V276 I277 E281 R282 F283 V289 V294	L256-L279 HydrophobicContact CD1-CD1 4.48Å; L256-L279 HydrophobicContact CD1-CD2 4.23Å; L259-L279 HydrophobicContact CB-CD2 4.28Å; L259-L279 HydrophobicContact CD2-CD2 3.65Å; L259-L279 HydrophobicContact CG-CD2 3.73Å; I260-L279 HydrophobicContact CD1-CD1 4.44Å; I260-L279 HydrophobicContact CG1-CD1 3.91Å; I260-L279 HydrophobicContact CG1-CD2 3.77Å; I260-L279 HydrophobicContact CG1-CG 4.49Å; I263-L279 HydrophobicContact CD1-CD2 3.69Å; I263-L279 HydrophobicContact CD1-CG 4.05Å; L275-L279 HydrophobicContact CD1-CD1 4.08Å; L275-L279 HydrophobicContact CD1-CG 4.17Å; L275-L279 HydrophobicContact CG-CD1 3.95Å; L275-L279 HydrophobicContact CG-CG 4.48Å; L275-L279 WeakPolarHBondContact O-CB 3.3Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.4Å; L275-L279 PolarHBondContact O-N 2.86Å; V276-L279 PolarHBondContact O-N 3.44Å; I277-L279 PolarHBondContact O-N 2.97Å; I277-L279 VanDerWaalsContact O-N 3.16Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 2.88Å; L279-R282 PolarHBondContact O-N 2.55Å; L279-F283 WeakPolarHBondContact O-CB 3.39Å; L279-F283 PolarHBondContact O-N 3.07Å; L279-V289 HydrophobicContact CB-CG1 3.84Å; L279-V289 HydrophobicContact CD1-CG1 4.42Å; L279-V294 HydrophobicContact CD1-CB 4.37Å; L279-V294 HydrophobicContact CD1-CG1 3.71Å; L279-V294 HydrophobicContact CD1-CG2 3.63Å
280	R	91.5	Very high	89.1	Confident	97 Å²	97	66.8 Å²	66.8	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-33.8	178.8	-73.7	-177.4	-176.7	147.5	11.1	113.3	V276 I277 R282 P286 V289 N291	V276-R280 VanDerWaalsContact CG1-CZ 3.44Å; V276-R280 WeakPolarHBondContact O-CG 3.23Å; V276-R280 PolarHBondContact O-N 3.09Å; I277-R280 PolarHBondContact O-N 3.36Å; R280-R282 PolarHBondContact O-N 2.68Å; R280-P286 HydrophobicContact CB-CB 4.23Å; R280-P286 HydrophobicContact CG-CB 4.47Å; R280-P286 WeakPolarHBondContact CG-O 3.47Å; R280-V289 HydrophobicContact CG-CB 3.83Å; R280-V289 HydrophobicContact CG-CG1 4.13Å; R280-V289 HydrophobicContact CG-CG2 4.27Å; R280-V289 PolarHBondContact NE-O 3.16Å; R280-V289 PolarHBondContact NH2-O 2.78Å; R280-N291 PolarHBondContact NH2-OD1 3.17Å
281	E	87.6	Confident	89	Confident	136 Å²	136	68.4 Å²	68.4	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.6	173.5	-70.4	169.2	167.7	0	0	114.1	I277 L279	I277-E281 HydrophobicContact CG2-CG 4.33Å; I277-E281 VanDerWaalsContact CG2-OE1 3.31Å; I277-E281 WeakPolarHBondContact CG2-OE1 3.35Å; I277-E281 WeakPolarHBondContact O-CG 3.38Å; I277-E281 PolarHBondContact O-N 3.12Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 2.88Å
282	R	84.3	Confident	88.8	Confident	138 Å²	138	70.1 Å²	70.1	52%	0.521	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-7.7	-169.9	-65	-177.3	-174.7	-172.5	1.9	115	L259 C278 L279 R280	L259-R282 HydrophobicContact CD1-CB 4.01Å; L259-R282 HydrophobicContact CD2-CB 4.01Å; C278-R282 WeakPolarHBondContact O-CD 3.32Å; C278-R282 WeakPolarHBondContact O-CG 2.97Å; L279-R282 PolarHBondContact O-N 2.55Å; R280-R282 PolarHBondContact O-N 2.68Å
283	F	83.7	Confident	88.6	Confident	61 Å²	61	70.9 Å²	70.9	27%	0.268	35%	0.353	S	S	.	.	S	Bend	trans	-98.7	137.6	177.9	-149	-104.4	0	0	0	109.2	L256 L259 L279 D285 S288 V289	L256-F283 HydrophobicContact CB-CE2 4.46Å; L259-F283 HydrophobicContact CD2-CD2 3.99Å; L279-F283 WeakPolarHBondContact O-CB 3.39Å; L279-F283 PolarHBondContact O-N 3.07Å; F283-D285 PolarHBondContact O-N 2.89Å; F283-D285 VanDerWaalsContact O-N 3.16Å; F283-S288 VanDerWaalsContact CD1-OG 3.25Å; F283-S288 WeakPolarHBondContact CD1-OG 3.3Å; F283-S288 VanDerWaalsContact CE1-OG 3.31Å; F283-S288 WeakPolarHBondContact CE1-OG 3.34Å; F283-V289 HydrophobicContact CB-CG2 3.76Å; F283-V289 HydrophobicContact CD1-CG2 3.99Å; F283-V289 HydrophobicContact CG-CG2 3.97Å
284	K	75.7	Confident	88.6	Confident	180 Å²	180	68.1 Å²	68.1	78%	0.783	34%	0.338	S	S	*	.	S	Bend	trans	-59.1	-31.4	-172.2	-77.1	-156.8	-174.2	-178.3	0	114	L253	L253-K284 HydrophobicContact CD2-CD 3.66Å; L253-K284 HydrophobicContact CD2-CG 3.98Å
285	D	78.8	Confident	88.6	Confident	71 Å²	71	63.8 Å²	63.8	38%	0.38	32%	0.32	S	S	.	.			trans	-115.2	108	167.7	167.7	32.7	0	0	0	109.8	F283 H287 S288	F283-D285 PolarHBondContact O-N 2.89Å; F283-D285 VanDerWaalsContact O-N 3.16Å; D285-H287 PolarHBondContact O-N 2.88Å; D285-H287 WeakPolarHBondContact OD1-CB 3.45Å; D285-H287 IonicContact OD1-CD2 2.76Å; D285-H287 IonicContact OD1-CG 3.82Å; D285-H287 PolarHBondContact OD1-N 2.88Å; D285-S288 PolarHBondContact O-OG 3.32Å; D285-S288 WeakPolarHBondContact OD2-CB 3.41Å; D285-S288 PolarHBondContact OD2-N 3.02Å
286	P	80	Confident	88.5	Confident	56 Å²	56	70.5 Å²	70.5	36%	0.364	35%	0.351	S	S	.	.	S	Bend	trans	-60.2	-23.1	175	-26.1	36.1	0	0	0	114.8	R280	R280-P286 HydrophobicContact CB-CB 4.23Å; R280-P286 HydrophobicContact CG-CB 4.47Å; R280-P286 WeakPolarHBondContact CG-O 3.47Å
287	H	79.5	Confident	88.4	Confident	163 Å²	163	75.4 Å²	75.4	76%	0.755	37%	0.37	S	S	*	.	S	Bend	trans	-79.7	-34.2	-175.6	-63.5	-84.9	0	0	0	112.8	D285 V289	D285-H287 PolarHBondContact O-N 2.88Å; D285-H287 WeakPolarHBondContact OD1-CB 3.45Å; D285-H287 IonicContact OD1-CD2 2.76Å; D285-H287 IonicContact OD1-CG 3.82Å; D285-H287 PolarHBondContact OD1-N 2.88Å; H287-V289 PolarHBondContact O-N 3.3Å; H287-V289 VanDerWaalsContact O-N 3.15Å
288	S	81.5	Confident	88.5	Confident	51 Å²	51	72 Å²	72	36%	0.357	35%	0.352	S	S	.	.	S	Bend	trans	-57.7	-23.6	172.8	66.3	0	0	0	0	114.4	F283 D285 T290	F283-S288 VanDerWaalsContact CD1-OG 3.25Å; F283-S288 WeakPolarHBondContact CD1-OG 3.3Å; F283-S288 VanDerWaalsContact CE1-OG 3.31Å; F283-S288 WeakPolarHBondContact CE1-OG 3.34Å; D285-S288 PolarHBondContact O-OG 3.32Å; D285-S288 WeakPolarHBondContact OD2-CB 3.41Å; D285-S288 PolarHBondContact OD2-N 3.02Å; S288-T290 VanDerWaalsContact C-N 3.3Å; S288-T290 PolarHBondContact O-N 3.48Å
289	V	88.2	Confident	88.6	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.006	35%	0.352	C	S	.	.			trans	-79.7	75.1	-179.5	-169.5	0	0	0	0	110.5	L279 R280 F283 H287 V294	L279-V289 HydrophobicContact CB-CG1 3.84Å; L279-V289 HydrophobicContact CD1-CG1 4.42Å; R280-V289 HydrophobicContact CG-CB 3.83Å; R280-V289 HydrophobicContact CG-CG1 4.13Å; R280-V289 HydrophobicContact CG-CG2 4.27Å; R280-V289 PolarHBondContact NE-O 3.16Å; R280-V289 PolarHBondContact NH2-O 2.78Å; F283-V289 HydrophobicContact CB-CG2 3.76Å; F283-V289 HydrophobicContact CD1-CG2 3.99Å; F283-V289 HydrophobicContact CG-CG2 3.97Å; H287-V289 PolarHBondContact O-N 3.3Å; H287-V289 VanDerWaalsContact O-N 3.15Å; V289-V294 HydrophobicContact CG1-CG2 3.77Å
290	T	91.8	Very high	88.7	Confident	67 Å²	67	75.9 Å²	75.9	41%	0.411	38%	0.375	S	S	.	.			trans	-74.5	149.9	172.8	73.8	0	0	0	0	111.6	S288 T292 S293 V294	S288-T290 VanDerWaalsContact C-N 3.3Å; S288-T290 PolarHBondContact O-N 3.48Å; T290-T292 PolarHBondContact O-N 3.26Å; T290-S293 PolarHBondContact O-N 3.41Å; T290-S293 PolarHBondContact O-OG 3.44Å; T290-S293 PolarHBondContact OG1-N 2.94Å; T290-S293 PolarHBondContact OG1-OG 3.13Å; T290-V294 WeakPolarHBondContact O-CG2 3.36Å; T290-V294 PolarHBondContact O-N 2.78Å
291	N	93.7	Very high	88.9	Confident	55 Å²	55	72.5 Å²	72.5	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-33.2	177.9	-66.7	23.4	0	0	0	111.7	F272 R280 L295 Y401	F272-N291 HydrophobicContact CE1-CB 4.17Å; F272-N291 HydrophobicContact CZ-CB 4.06Å; R280-N291 PolarHBondContact NH2-OD1 3.17Å; N291-L295 WeakPolarHBondContact O-CB 3.32Å; N291-L295 WeakPolarHBondContact O-CD1 3.24Å; N291-L295 VanDerWaalsContact O-CG 3.26Å; N291-L295 WeakPolarHBondContact O-CG 3.2Å; N291-L295 PolarHBondContact O-N 2.94Å; N291-Y401 PolarHBondContact ND2-OH 3.15Å; N291-Y401 VanDerWaalsContact ND2-OH 3.11Å
292	T	93.1	Very high	89.3	Confident	109 Å²	109	66 Å²	66	67%	0.669	33%	0.333	S	S	*	.	H	α-helix	trans	-67.4	-46.2	-178.4	-46.4	0	0	0	0	112	T290 V294 L295 Q296	T290-T292 PolarHBondContact O-N 3.26Å; T292-V294 PolarHBondContact O-N 2.81Å; T292-L295 PolarHBondContact O-N 3.46Å; T292-Q296 PolarHBondContact O-N 3.38Å
293	S	92.4	Very high	89.9	Confident	25 Å²	25	60.9 Å²	60.9	18%	0.175	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-39.4	177.8	60.8	0	0	0	0	111.6	T290 L295 Q296 Y297	T290-S293 PolarHBondContact O-N 3.41Å; T290-S293 PolarHBondContact O-OG 3.44Å; T290-S293 PolarHBondContact OG1-N 2.94Å; T290-S293 PolarHBondContact OG1-OG 3.13Å; S293-L295 PolarHBondContact O-N 3.44Å; S293-Q296 WeakPolarHBondContact O-CB 3.41Å; S293-Q296 PolarHBondContact O-N 2.86Å; S293-Y297 VanDerWaalsContact O-CD2 3.27Å; S293-Y297 WeakPolarHBondContact O-CD2 3.26Å; S293-Y297 PolarHBondContact O-N 2.8Å
294	V	95.1	Very high	90.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-46.7	173.1	179.8	0	0	0	0	111	L256 I260 F272 L275 L279 V289 T290 T292 Q296 Y297 L298	L256-V294 HydrophobicContact CD1-CG2 4.43Å; I260-V294 HydrophobicContact CD1-CG1 4.13Å; F272-V294 HydrophobicContact CE2-CB 4.41Å; F272-V294 HydrophobicContact CE2-CG1 3.89Å; L275-V294 HydrophobicContact CD2-CG1 4.27Å; L279-V294 HydrophobicContact CD1-CB 4.37Å; L279-V294 HydrophobicContact CD1-CG1 3.71Å; L279-V294 HydrophobicContact CD1-CG2 3.63Å; V289-V294 HydrophobicContact CG1-CG2 3.77Å; T290-V294 WeakPolarHBondContact O-CG2 3.36Å; T290-V294 PolarHBondContact O-N 2.78Å; T292-V294 PolarHBondContact O-N 2.81Å; V294-Q296 VanDerWaalsContact C-N 3.26Å; V294-Q296 PolarHBondContact O-N 3.47Å; V294-Y297 PolarHBondContact O-N 2.95Å; V294-L298 WeakPolarHBondContact O-CB 3.45Å; V294-L298 PolarHBondContact O-N 3.3Å
295	L	95.3	Very high	91.5	Very high	17 Å²	17	49.8 Å²	49.8	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-21.3	179.3	-72.6	166	0	0	0	114	F272 N291 T292 S293 P299 W309 F397 Y401 I404	F272-L295 HydrophobicContact CD2-CD2 3.95Å; F272-L295 HydrophobicContact CE1-CD1 4.24Å; F272-L295 HydrophobicContact CE1-CG 4.44Å; F272-L295 HydrophobicContact CE2-CD1 4.26Å; F272-L295 HydrophobicContact CE2-CD2 3.44Å; F272-L295 VanDerWaalsContact CE2-CD2 3.44Å; F272-L295 HydrophobicContact CE2-CG 3.58Å; F272-L295 HydrophobicContact CZ-CD1 3.74Å; F272-L295 HydrophobicContact CZ-CD2 3.81Å; F272-L295 HydrophobicContact CZ-CG 3.53Å; N291-L295 WeakPolarHBondContact O-CB 3.32Å; N291-L295 WeakPolarHBondContact O-CD1 3.24Å; N291-L295 VanDerWaalsContact O-CG 3.26Å; N291-L295 WeakPolarHBondContact O-CG 3.2Å; N291-L295 PolarHBondContact O-N 2.94Å; T292-L295 PolarHBondContact O-N 3.46Å; S293-L295 PolarHBondContact O-N 3.44Å; L295-P299 WeakPolarHBondContact O-CD 3.41Å; L295-W309 HydrophobicContact CD2-CZ2 3.87Å; L295-F397 HydrophobicContact CD2-CE2 4.03Å; L295-F397 HydrophobicContact CD2-CZ 3.97Å; L295-Y401 HydrophobicContact CD1-CD1 3.71Å; L295-Y401 HydrophobicContact CD1-CD2 4.37Å; L295-Y401 HydrophobicContact CD1-CE1 3.5Å; L295-Y401 VanDerWaalsContact CD1-CE1 3.5Å; L295-Y401 HydrophobicContact CD1-CE2 4.18Å; L295-Y401 HydrophobicContact CD1-CG 4.15Å; L295-I404 HydrophobicContact CB-CD1 3.96Å; L295-I404 HydrophobicContact CD1-CD1 3.82Å; L295-I404 HydrophobicContact CD2-CD1 3.85Å; L295-I404 HydrophobicContact CG-CD1 4.07Å
296	Q	93.4	Very high	92.2	Very high	141 Å²	141	50 Å²	50	66%	0.659	26%	0.264	S	S	*	.	H	α-helix	trans	-74.2	-43	172.7	-173.7	180	1.4	0	0	112.2	T292 S293 V294	T292-Q296 PolarHBondContact O-N 3.38Å; S293-Q296 WeakPolarHBondContact O-CB 3.41Å; S293-Q296 PolarHBondContact O-N 2.86Å; V294-Q296 VanDerWaalsContact C-N 3.26Å; V294-Q296 PolarHBondContact O-N 3.47Å
297	Y	92.4	Very high	93	Very high	109 Å²	109	47.3 Å²	47.3	43%	0.427	25%	0.248	S	C	.	.	H	α-helix	trans	-83.6	-29.7	-179.8	-71.8	-71.7	0	0	0	113.9	L256 S293 V294 T300 F301	L256-Y297 HydrophobicContact CD2-CD2 4.04Å; L256-Y297 HydrophobicContact CD2-CE2 4.32Å; L256-Y297 HydrophobicContact CG-CD2 4.38Å; S293-Y297 VanDerWaalsContact O-CD2 3.27Å; S293-Y297 WeakPolarHBondContact O-CD2 3.26Å; S293-Y297 PolarHBondContact O-N 2.8Å; V294-Y297 PolarHBondContact O-N 2.95Å; Y297-T300 WeakPolarHBondContact O-CB 3.44Å; Y297-T300 PolarHBondContact O-N 3.04Å; Y297-T300 PolarHBondContact O-OG1 2.96Å; Y297-F301 WeakPolarHBondContact O-CD2 3.48Å
298	L	95	Very high	93.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-38	-172.3	-174.7	56.3	0	0	0	114.8	I260 M264 F272 L275 V294 T300 F301 A302 W309	I260-L298 HydrophobicContact CG2-CD1 3.8Å; M264-L298 HydrophobicContact CG-CD1 4.14Å; M264-L298 HydrophobicContact SD-CD1 4.09Å; F272-L298 HydrophobicContact CD2-CD2 4.14Å; F272-L298 HydrophobicContact CE2-CD2 4.34Å; L275-L298 HydrophobicContact CD2-CD1 3.67Å; L275-L298 HydrophobicContact CD2-CD2 3.51Å; L275-L298 HydrophobicContact CD2-CG 4.24Å; V294-L298 WeakPolarHBondContact O-CB 3.45Å; V294-L298 PolarHBondContact O-N 3.3Å; L298-T300 PolarHBondContact O-N 3.28Å; L298-T300 VanDerWaalsContact O-N 3.12Å; L298-F301 PolarHBondContact O-N 3.33Å; L298-A302 HydrophobicContact CD1-CB 3.66Å; L298-A302 HydrophobicContact CG-CB 4.18Å; L298-A302 PolarHBondContact O-N 3.34Å; L298-W309 HydrophobicContact CD2-CB 4.39Å; L298-W309 HydrophobicContact CD2-CD2 3.42Å; L298-W309 VanDerWaalsContact CD2-CD2 3.42Å; L298-W309 VanDerWaalsContact CD2-CE2 3.45Å; L298-W309 HydrophobicContact CD2-CE3 3.96Å; L298-W309 HydrophobicContact CD2-CG 3.63Å; L298-W309 HydrophobicContact CD2-CH2 4.41Å; L298-W309 HydrophobicContact CD2-CZ2 3.97Å; L298-W309 HydrophobicContact CD2-CZ3 4.41Å; L298-W309 HydrophobicContact CG-CD2 3.78Å; L298-W309 HydrophobicContact CG-CE3 3.75Å; L298-W309 HydrophobicContact CG-CG 4.27Å; L298-W309 HydrophobicContact CG-CH2 4.33Å; L298-W309 HydrophobicContact CG-CZ2 4.38Å; L298-W309 HydrophobicContact CG-CZ3 4.03Å
299	P	94.7	Very high	94.6	Very high	37 Å²	37	39.4 Å²	39.4	24%	0.24	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-16	172.5	-25.5	35.8	0	0	0	115.2	L295 W309 K312	L295-P299 WeakPolarHBondContact O-CD 3.41Å; P299-W309 HydrophobicContact CG-CH2 4.22Å; P299-K312 WeakPolarHBondContact O-CE 3.18Å; P299-K312 PolarHBondContact O-NZ 3.22Å
300	T	94.1	Very high	95	Very high	79 Å²	79	39.3 Å²	39.3	49%	0.485	20%	0.203	S	C	.	.	H	α-helix	trans	-71.3	-37.2	171.8	-56.1	0	0	0	0	111	Y297 L298 K312	Y297-T300 WeakPolarHBondContact O-CB 3.44Å; Y297-T300 PolarHBondContact O-N 3.04Å; Y297-T300 PolarHBondContact O-OG1 2.96Å; L298-T300 PolarHBondContact O-N 3.28Å; L298-T300 VanDerWaalsContact O-N 3.12Å; T300-K312 VanDerWaalsContact O-CE 3.27Å; T300-K312 WeakPolarHBondContact O-CE 3.47Å; T300-K312 PolarHBondContact O-NZ 3.06Å
301	F	95.7	Very high	95.3	Very high	27 Å²	27	36.1 Å²	36.1	12%	0.118	18%	0.183	C	C	.	.	H	α-helix	trans	-109.7	-15.6	-172.3	-51.4	-73	0	0	0	114.6	G257 I260 Q261 Y297 L298 K312 I315	G257-F301 WeakPolarHBondContact O-CE2 3.46Å; I260-F301 HydrophobicContact CB-CD2 4.38Å; I260-F301 HydrophobicContact CG2-CB 4.34Å; I260-F301 HydrophobicContact CG2-CD2 3.78Å; I260-F301 HydrophobicContact CG2-CG 4.4Å; Q261-F301 HydrophobicContact CB-CD1 3.69Å; Q261-F301 HydrophobicContact CB-CE1 3.8Å; Q261-F301 HydrophobicContact CB-CG 4.1Å; Q261-F301 HydrophobicContact CB-CZ 4.3Å; Q261-F301 HydrophobicContact CG-CD1 3.79Å; Q261-F301 HydrophobicContact CG-CE1 4.01Å; Y297-F301 WeakPolarHBondContact O-CD2 3.48Å; L298-F301 PolarHBondContact O-N 3.33Å; F301-K312 PolarHBondContact O-N 2.88Å; F301-I315 HydrophobicContact CB-CD1 4.05Å; F301-I315 HydrophobicContact CD1-CD1 3.99Å; F301-I315 WeakPolarHBondContact O-CD1 3.32Å
302	A	97.1	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	165.5	-175.2	0	0	0	0	0	112.9	M264 L298 W309 V310	M264-A302 HydrophobicContact CE-CB 3.73Å; M264-A302 HydrophobicContact CG-CB 4.48Å; M264-A302 HydrophobicContact SD-CB 4.45Å; L298-A302 HydrophobicContact CD1-CB 3.66Å; L298-A302 HydrophobicContact CG-CB 4.18Å; L298-A302 PolarHBondContact O-N 3.34Å; A302-W309 HydrophobicContact CB-CB 4.46Å; A302-W309 HydrophobicContact CB-CE3 3.74Å; A302-W309 HydrophobicContact CB-CZ3 4.43Å; A302-V310 CarbonylContact C-O 3.48Å; A302-V310 WeakPolarHBondContact CA-O 3.43Å; A302-V310 WeakPolarHBondContact CB-O 3.5Å
303	V	96.9	Very high	95.6	Very high	30 Å²	30	30.8 Å²	30.8	18%	0.182	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.9	169.9	-70.7	0	0	0	0	109.6	V310 K312 M341 W412	V303-V310 HydrophobicContact CG2-CB 4.31Å; V303-V310 PolarHBondContact N-O 3.42Å; V303-V310 PolarHBondContact O-N 3.36Å; V303-K312 HydrophobicContact CG1-CG 4.23Å; V303-M341 HydrophobicContact CG2-SD 4.37Å; V303-W412 HydrophobicContact CB-CZ2 4.07Å; V303-W412 HydrophobicContact CG2-CH2 4.23Å; V303-W412 HydrophobicContact CG2-CZ2 3.71Å
304	L	97	Very high	95.7	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.1	-178.9	-170.2	78	0	0	0	110.6	W308 W309 F397 V405 Q408 W412	L304-W308 CarbonylContact C-O 3.44Å; L304-W308 WeakPolarHBondContact CA-O 3.5Å; L304-W309 HydrophobicContact CB-CE3 4.31Å; L304-W309 HydrophobicContact CB-CH2 4.31Å; L304-W309 HydrophobicContact CB-CZ3 4.19Å; L304-W309 HydrophobicContact CD1-CD2 3.87Å; L304-W309 HydrophobicContact CD1-CE3 4.43Å; L304-W309 HydrophobicContact CD1-CG 4.19Å; L304-W309 HydrophobicContact CD1-CZ2 3.98Å; L304-F397 HydrophobicContact CD1-CD1 3.77Å; L304-F397 HydrophobicContact CD1-CE1 3.45Å; L304-F397 VanDerWaalsContact CD1-CE1 3.45Å; L304-F397 HydrophobicContact CD1-CZ 4.12Å; L304-F397 HydrophobicContact CD2-CD1 4.19Å; L304-F397 HydrophobicContact CD2-CE1 3.71Å; L304-F397 HydrophobicContact CG-CE1 4.25Å; L304-V405 HydrophobicContact CD2-CB 4.37Å; L304-V405 HydrophobicContact CD2-CG2 3.81Å; L304-Q408 HydrophobicContact CB-CB 3.92Å; L304-Q408 HydrophobicContact CB-CG 3.65Å; L304-Q408 HydrophobicContact CD2-CB 4.39Å; L304-Q408 HydrophobicContact CD2-CG 4.38Å; L304-W412 PolarHBondContact O-NE1 2.98Å
305	L	96.4	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	106.5	179.4	-172.3	57.3	0	0	0	109.8	G307 W308 V310 M341 F344 H345 F390 W412	L305-G307 PolarHBondContact O-N 3.26Å; L305-W308 PolarHBondContact N-O 3.47Å; L305-W308 WeakPolarHBondContact O-CB 3.25Å; L305-W308 PolarHBondContact O-N 2.83Å; L305-V310 HydrophobicContact CB-CG2 3.57Å; L305-V310 HydrophobicContact CD2-CG2 4.06Å; L305-V310 HydrophobicContact CG-CG2 4.44Å; L305-M341 WeakPolarHBondContact CD1-O 3.35Å; L305-M341 HydrophobicContact CD2-CB 4.06Å; L305-M341 HydrophobicContact CD2-CG 4.1Å; L305-F344 HydrophobicContact CD2-CB 4.27Å; L305-H345 HydrophobicContact CD1-CB 3.6Å; L305-F390 HydrophobicContact CB-CE1 4.48Å; L305-F390 HydrophobicContact CB-CZ 4.11Å; L305-F390 HydrophobicContact CD2-CD2 3.85Å; L305-F390 HydrophobicContact CD2-CE1 4.47Å; L305-F390 HydrophobicContact CD2-CE2 3.51Å; L305-F390 HydrophobicContact CD2-CG 4.48Å; L305-F390 HydrophobicContact CD2-CZ 3.84Å; L305-F390 HydrophobicContact CG-CD1 4.48Å; L305-F390 HydrophobicContact CG-CD2 4.4Å; L305-F390 HydrophobicContact CG-CE1 4.1Å; L305-F390 HydrophobicContact CG-CE2 4.04Å; L305-F390 HydrophobicContact CG-CZ 3.86Å; L305-F390 VanDerWaalsContact O-CE1 3.32Å; L305-F390 WeakPolarHBondContact O-CE1 3.48Å; L305-W412 HydrophobicContact CD1-CZ2 4.4Å
306	R	93.6	Very high	95.5	Very high	74 Å²	74	37 Å²	37	28%	0.279	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	41.7	-178.9	-62.3	178.6	57.9	165.4	4.3	113.2	W308 F344 F390 T393 D394	R306-W308 VanDerWaalsContact C-N 3.33Å; R306-W308 PolarHBondContact O-N 3.44Å; R306-F344 VanDerWaalsContact CD-O 3.3Å; R306-F344 WeakPolarHBondContact CD-O 3.32Å; R306-F390 HydrophobicContact CB-CD1 4.15Å; R306-F390 HydrophobicContact CB-CE1 4.14Å; R306-F390 HydrophobicContact CG-CD1 4.49Å; R306-T393 HydrophobicContact CB-CG2 4.4Å; R306-T393 PolarHBondContact NE-OG1 3.25Å; R306-T393 VanDerWaalsContact NE-OG1 3.08Å; R306-T393 PolarHBondContact NH2-OG1 3.46Å; R306-T393 WeakPolarHBondContact O-CA 3.29Å; R306-D394 PolarHBondContact O-N 2.82Å
307	G	95.2	Very high	95.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-9.4	179.9	0	0	0	0	0	115.7	L305	L305-G307 PolarHBondContact O-N 3.26Å
308	W	97.1	Very high	95.5	Very high	47 Å²	47	29.8 Å²	29.8	18%	0.178	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	150.7	171.8	-66.3	69.2	0	0	0	110.9	L269 R271 L304 L305 R306 F390 P392	L269-W308 HydrophobicContact CD1-CB 3.73Å; L269-W308 HydrophobicContact CD1-CD2 4.22Å; L269-W308 HydrophobicContact CD1-CE3 3.82Å; L269-W308 HydrophobicContact CD1-CG 4.23Å; L269-W308 HydrophobicContact CD2-CE3 4.4Å; L269-W308 HydrophobicContact CG-CE3 3.89Å; L269-W308 HydrophobicContact CG-CZ3 4.39Å; R271-W308 HydrophobicContact CG-CD2 3.95Å; R271-W308 HydrophobicContact CG-CE3 3.77Å; R271-W308 HydrophobicContact CG-CH2 3.75Å; R271-W308 HydrophobicContact CG-CZ2 3.92Å; R271-W308 HydrophobicContact CG-CZ3 3.68Å; L304-W308 CarbonylContact C-O 3.44Å; L304-W308 WeakPolarHBondContact CA-O 3.5Å; L305-W308 PolarHBondContact N-O 3.47Å; L305-W308 WeakPolarHBondContact O-CB 3.25Å; L305-W308 PolarHBondContact O-N 2.83Å; R306-W308 VanDerWaalsContact C-N 3.33Å; R306-W308 PolarHBondContact O-N 3.44Å; W308-F390 HydrophobicContact CB-CE1 4.19Å; W308-F390 HydrophobicContact CB-CZ 3.97Å; W308-F390 AromaticContact CD1-CE1 3.79Å; W308-F390 HydrophobicContact CG-CE1 4.05Å; W308-F390 HydrophobicContact CG-CZ 4.14Å; W308-P392 PolarHBondContact NE1-O 2.89Å
309	W	97.6	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.7	172.3	-73.3	97.4	0	0	0	110.9	M264 L269 I270 F272 L295 L298 P299 A302 L304 F397 I404	M264-W309 HydrophobicContact CE-CB 4.36Å; L269-W309 WeakPolarHBondContact CA-O 3.41Å; I270-W309 HydrophobicContact CG2-CB 4.32Å; I270-W309 PolarHBondContact N-O 3.31Å; I270-W309 PolarHBondContact O-N 3.49Å; F272-W309 AromaticContact CD2-NE1 3.83Å; L295-W309 HydrophobicContact CD2-CZ2 3.87Å; L298-W309 HydrophobicContact CD2-CB 4.39Å; L298-W309 HydrophobicContact CD2-CD2 3.42Å; L298-W309 VanDerWaalsContact CD2-CD2 3.42Å; L298-W309 VanDerWaalsContact CD2-CE2 3.45Å; L298-W309 HydrophobicContact CD2-CE3 3.96Å; L298-W309 HydrophobicContact CD2-CG 3.63Å; L298-W309 HydrophobicContact CD2-CH2 4.41Å; L298-W309 HydrophobicContact CD2-CZ2 3.97Å; L298-W309 HydrophobicContact CD2-CZ3 4.41Å; L298-W309 HydrophobicContact CG-CD2 3.78Å; L298-W309 HydrophobicContact CG-CE3 3.75Å; L298-W309 HydrophobicContact CG-CG 4.27Å; L298-W309 HydrophobicContact CG-CH2 4.33Å; L298-W309 HydrophobicContact CG-CZ2 4.38Å; L298-W309 HydrophobicContact CG-CZ3 4.03Å; P299-W309 HydrophobicContact CG-CH2 4.22Å; A302-W309 HydrophobicContact CB-CB 4.46Å; A302-W309 HydrophobicContact CB-CE3 3.74Å; A302-W309 HydrophobicContact CB-CZ3 4.43Å; L304-W309 HydrophobicContact CB-CE3 4.31Å; L304-W309 HydrophobicContact CB-CH2 4.31Å; L304-W309 HydrophobicContact CB-CZ3 4.19Å; L304-W309 HydrophobicContact CD1-CD2 3.87Å; L304-W309 HydrophobicContact CD1-CE3 4.43Å; L304-W309 HydrophobicContact CD1-CG 4.19Å; L304-W309 HydrophobicContact CD1-CZ2 3.98Å; W309-F397 AromaticContact CE2-CZ 3.94Å; W309-F397 HydrophobicContact CZ2-CE1 4.46Å; W309-F397 AromaticContact CZ2-CZ 3.87Å; W309-F397 HydrophobicContact CZ2-CZ 3.87Å; W309-F397 AromaticContact NE1-CE2 3.53Å; W309-F397 AromaticContact NE1-CZ 3.46Å; W309-I404 HydrophobicContact CH2-CG2 4.12Å; W309-I404 HydrophobicContact CZ2-CG2 4.1Å
310	V	97.7	Very high	94.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.7	-176	-167.4	0	0	0	0	108.8	Q268 L269 A302 V303 L305 M341 L373	Q268-V310 WeakPolarHBondContact O-CA 3.06Å; L269-V310 HydrophobicContact CD1-CG2 3.83Å; A302-V310 CarbonylContact C-O 3.48Å; A302-V310 WeakPolarHBondContact CA-O 3.43Å; A302-V310 WeakPolarHBondContact CB-O 3.5Å; V303-V310 HydrophobicContact CG2-CB 4.31Å; V303-V310 PolarHBondContact N-O 3.42Å; V303-V310 PolarHBondContact O-N 3.36Å; L305-V310 HydrophobicContact CB-CG2 3.57Å; L305-V310 HydrophobicContact CD2-CG2 4.06Å; L305-V310 HydrophobicContact CG-CG2 4.44Å; V310-M341 HydrophobicContact CB-SD 4.23Å; V310-M341 HydrophobicContact CG1-SD 3.57Å; V310-M341 VanDerWaalsContact CG1-SD 3.57Å; V310-L373 HydrophobicContact CG1-CD2 3.42Å; V310-L373 VanDerWaalsContact CG1-CD2 3.42Å
311	A	97.5	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	141.6	179	0	0	0	0	0	111	M264 Q268 I316 R337	M264-A311 HydrophobicContact CB-CB 3.98Å; M264-A311 HydrophobicContact CE-CB 3.94Å; M264-A311 VanDerWaalsContact CE-N 3.33Å; M264-A311 VanDerWaalsContact O-CB 3.31Å; M264-A311 WeakPolarHBondContact O-CB 3.47Å; Q268-A311 PolarHBondContact O-N 3.48Å; A311-I316 HydrophobicContact CB-CD1 4Å; A311-I316 HydrophobicContact CB-CG1 4.37Å; A311-R337 VanDerWaalsContact O-CZ 3.32Å; A311-R337 PolarHBondContact O-NH1 3.41Å; A311-R337 PolarHBondContact O-NH2 2.94Å
312	K	96.7	Very high	94.2	Very high	47 Å²	47	43.1 Å²	43.1	20%	0.204	22%	0.22	C	C	.	.			trans	-66.1	143.6	-179.4	-67.3	-176.5	-173	169.4	0	111.7	P299 T300 F301 V303 E314 I315 I316	P299-K312 WeakPolarHBondContact O-CE 3.18Å; P299-K312 PolarHBondContact O-NZ 3.22Å; T300-K312 VanDerWaalsContact O-CE 3.27Å; T300-K312 WeakPolarHBondContact O-CE 3.47Å; T300-K312 PolarHBondContact O-NZ 3.06Å; F301-K312 PolarHBondContact O-N 2.88Å; V303-K312 HydrophobicContact CG1-CG 4.23Å; K312-E314 VanDerWaalsContact C-N 3.26Å; K312-E314 HydrophobicContact CB-CG 4.1Å; K312-E314 WeakPolarHBondContact CD-OE1 3.25Å; K312-E314 IonicContact NZ-OE1 3.62Å; K312-E314 PolarHBondContact O-N 3.32Å; K312-I315 HydrophobicContact CB-CD1 4.06Å; K312-I315 HydrophobicContact CB-CG1 4.3Å; K312-I315 PolarHBondContact O-N 3.06Å; K312-I315 VanDerWaalsContact O-N 3.11Å; K312-I316 PolarHBondContact O-N 2.98Å
313	S	96	Very high	93.7	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.028	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-28.9	-176.1	-56.4	0	0	0	0	113.3	I315 I316 Y317 R337 D338 M341	S313-I315 PolarHBondContact O-N 3.44Å; S313-I316 PolarHBondContact O-N 3.09Å; S313-Y317 WeakPolarHBondContact O-CB 3.13Å; S313-Y317 PolarHBondContact O-N 3.06Å; S313-R337 WeakPolarHBondContact OG-CG 3.18Å; S313-R337 PolarHBondContact OG-NH1 2.81Å; S313-D338 WeakPolarHBondContact CB-OD1 3.33Å; S313-D338 PolarHBondContact OG-OD1 3.25Å; S313-M341 WeakPolarHBondContact OG-CE 3.26Å
314	E	94.3	Very high	93.2	Very high	107 Å²	107	50.6 Å²	50.6	50%	0.5	25%	0.254	S	S	.	.	H	α-helix	trans	-68.4	-16.4	175.6	69.6	-156.7	165.4	0	0	114.3	K312	K312-E314 VanDerWaalsContact C-N 3.26Å; K312-E314 HydrophobicContact CB-CG 4.1Å; K312-E314 WeakPolarHBondContact CD-OE1 3.25Å; K312-E314 IonicContact NZ-OE1 3.62Å; K312-E314 PolarHBondContact O-N 3.32Å
315	I	93.3	Very high	92.2	Very high	33 Å²	33	56 Å²	56	17%	0.169	28%	0.279	C	S	.	.	H	α-helix	trans	-96.7	-31.9	-179.8	-58.1	172.5	0	0	0	110.7	Q261 I265 F301 K312 S313	Q261-I315 HydrophobicContact CG-CG2 4.3Å; I265-I315 HydrophobicContact CD1-CG2 3.84Å; I265-I315 HydrophobicContact CG1-CG2 3.61Å; F301-I315 HydrophobicContact CB-CD1 4.05Å; F301-I315 HydrophobicContact CD1-CD1 3.99Å; F301-I315 WeakPolarHBondContact O-CD1 3.32Å; K312-I315 HydrophobicContact CB-CD1 4.06Å; K312-I315 HydrophobicContact CB-CG1 4.3Å; K312-I315 PolarHBondContact O-N 3.06Å; K312-I315 VanDerWaalsContact O-N 3.11Å; S313-I315 PolarHBondContact O-N 3.44Å
316	I	94.1	Very high	91.7	Very high	32 Å²	32	58.3 Å²	58.3	16%	0.164	30%	0.295	C	S	.	.	H	α-helix	trans	-79.4	-35.7	172.7	-64.6	169.4	0	0	0	110.9	Q268 A311 K312 S313 P318 R337	Q268-I316 HydrophobicContact CB-CD1 4.09Å; Q268-I316 HydrophobicContact CG-CD1 3.76Å; Q268-I316 HydrophobicContact CG-CG1 4.38Å; A311-I316 HydrophobicContact CB-CD1 4Å; A311-I316 HydrophobicContact CB-CG1 4.37Å; K312-I316 PolarHBondContact O-N 2.98Å; S313-I316 PolarHBondContact O-N 3.09Å; I316-P318 WeakPolarHBondContact O-CD 3.36Å; I316-R337 VanDerWaalsContact CD1-CZ 3.43Å
317	Y	94.2	Very high	91.4	Very high	35 Å²	35	57 Å²	57	14%	0.137	31%	0.305	C	S	.	.	S	Bend	trans	-121.1	87.7	175.9	-51.4	-60.3	0	0	0	109	S313 L333 I334 R337 I369	S313-Y317 WeakPolarHBondContact O-CB 3.13Å; S313-Y317 PolarHBondContact O-N 3.06Å; Y317-L333 HydrophobicContact CD1-CB 4.22Å; Y317-L333 HydrophobicContact CD1-CD1 3.66Å; Y317-L333 HydrophobicContact CD2-CB 3.67Å; Y317-L333 HydrophobicContact CE1-CB 4.33Å; Y317-L333 HydrophobicContact CE1-CD1 3.82Å; Y317-L333 HydrophobicContact CE2-CB 3.78Å; Y317-L333 HydrophobicContact CG-CB 3.9Å; Y317-L333 HydrophobicContact CG-CD1 4.09Å; Y317-I334 HydrophobicContact CD2-CG1 4.4Å; Y317-R337 HydrophobicContact CE2-CB 4.43Å; Y317-I369 WeakPolarHBondContact OH-CG1 3.19Å
318	P	91.8	Very high	91.3	Very high	65 Å²	65	57.5 Å²	57.5	42%	0.422	31%	0.308	S	S	.	.			trans	-54.2	153.8	178.1	-29.6	36.4	0	0	0	113.4	I316 N320 S321 S330	I316-P318 WeakPolarHBondContact O-CD 3.36Å; P318-N320 PolarHBondContact O-N 3.46Å; P318-S321 PolarHBondContact O-N 3.08Å; P318-S321 PolarHBondContact O-OG 2.83Å; P318-S330 VanDerWaalsContact O-CB 3.23Å; P318-S330 WeakPolarHBondContact O-CB 3.28Å; P318-S330 PolarHBondContact O-OG 2.94Å
319	P	87	Confident	91.2	Very high	98 Å²	98	57.9 Å²	57.9	64%	0.636	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	139.7	168.3	-26	35.4	0	0	0	111.3	S321	P319-S321 PolarHBondContact O-N 3.41Å
320	N	85.2	Confident	91.1	Very high	151 Å²	151	58.2 Å²	58.2	81%	0.807	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	7.8	179.6	-46.9	-30.5	0	0	0	116.6	P318	P318-N320 PolarHBondContact O-N 3.46Å
321	S	88.8	Confident	90.9	Very high	37 Å²	37	60.9 Å²	60.9	26%	0.259	34%	0.341	S	S	.	.			trans	-84.6	166.7	169.4	75.8	0	0	0	0	113.1	P318 P319 S330	P318-S321 PolarHBondContact O-N 3.08Å; P318-S321 PolarHBondContact O-OG 2.83Å; P319-S321 PolarHBondContact O-N 3.41Å; S321-S330 WeakPolarHBondContact O-CB 3.48Å; S321-S330 PolarHBondContact O-N 2.9Å; S321-S330 PolarHBondContact O-OG 3.27Å; S321-S330 WeakPolarHBondContact OG-CB 3.15Å
322	F	91	Very high	90.8	Very high	136 Å²	136	63.4 Å²	63.4	60%	0.596	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-131.7	150.7	178.2	-58.5	-99.6	0	0	0	109.3	G327 T328 P329	F322-G327 WeakPolarHBondContact CD1-O 3.46Å; F322-T328 CarbonylContact C-O 3.23Å; F322-T328 WeakPolarHBondContact CA-O 3.32Å; F322-P329 HydrophobicContact CD1-CB 4.17Å; F322-P329 HydrophobicContact CD1-CG 3.99Å; F322-P329 HydrophobicContact CE1-CB 4.19Å; F322-P329 HydrophobicContact CE1-CG 3.91Å
323	S	87.4	Confident	90.8	Very high	14 Å²	14	61.2 Å²	61.2	10%	0.098	34%	0.344	C	S	.	.			trans	-65.1	134.1	175.3	59.9	0	0	0	0	111.6	H325 S326 G327 T328 E365	S323-H325 PolarHBondContact O-N 3.36Å; S323-S326 PolarHBondContact OG-N 3.5Å; S323-S326 PolarHBondContact OG-OG 2.88Å; S323-S326 VanDerWaalsContact OG-OG 3.05Å; S323-G327 WeakPolarHBondContact O-CA 3.39Å; S323-G327 PolarHBondContact O-N 3.43Å; S323-G327 PolarHBondContact OG-N 3.37Å; S323-G327 VanDerWaalsContact OG-N 3.14Å; S323-T328 PolarHBondContact N-O 3.49Å; S323-T328 PolarHBondContact OG-N 3.2Å; S323-E365 VanDerWaalsContact CB-OE1 3.3Å; S323-E365 WeakPolarHBondContact CB-OE1 3.25Å; S323-E365 PolarHBondContact OG-OE1 3.01Å
324	E	84.5	Confident	90.7	Very high	173 Å²	173	62.4 Å²	62.4	81%	0.808	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.7	173	-64.9	169.5	-164.2	0	0	113.3
325	H	77.3	Confident	90.8	Very high	121 Å²	121	60.6 Å²	60.6	56%	0.56	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-25	-170.6	-52.3	-30	0	0	0	115	S323 V364	S323-H325 PolarHBondContact O-N 3.36Å; H325-V364 HydrophobicContact CB-CG1 4.31Å
326	S	85.6	Confident	91	Very high	49 Å²	49	59 Å²	59	34%	0.343	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	4.6	-174.8	68.3	0	0	0	0	115.9	S323 T328 E365	S323-S326 PolarHBondContact OG-N 3.5Å; S323-S326 PolarHBondContact OG-OG 2.88Å; S323-S326 VanDerWaalsContact OG-OG 3.05Å; S326-T328 PolarHBondContact O-N 2.73Å; S326-T328 VanDerWaalsContact O-N 3.13Å; S326-T328 PolarHBondContact OG-OG1 3.44Å; S326-E365 WeakPolarHBondContact CB-OE1 3.34Å; S326-E365 PolarHBondContact N-OE1 3.4Å; S326-E365 VanDerWaalsContact OG-CD 3.25Å; S326-E365 VanDerWaalsContact OG-CG 3.26Å; S326-E365 WeakPolarHBondContact OG-CG 3.41Å; S326-E365 PolarHBondContact OG-OE1 2.99Å
327	G	88.4	Confident	91.1	Very high	47 Å²	47	57.5 Å²	57.5	49%	0.485	32%	0.323	S	S	.	.			trans	62	14.2	-174.5	0	0	0	0	0	114.9	F322 S323 P329	F322-G327 WeakPolarHBondContact CD1-O 3.46Å; S323-G327 WeakPolarHBondContact O-CA 3.39Å; S323-G327 PolarHBondContact O-N 3.43Å; S323-G327 PolarHBondContact OG-N 3.37Å; S323-G327 VanDerWaalsContact OG-N 3.14Å; G327-P329 WeakPolarHBondContact O-CD 3.3Å
328	T	92.6	Very high	91.2	Very high	12 Å²	12	56.5 Å²	56.5	7%	0.074	32%	0.32	C	S	.	.			trans	-66.3	125	178.6	-63.4	0	0	0	0	110.6	F322 S323 S326 I332 L333 V361 P362	F322-T328 CarbonylContact C-O 3.23Å; F322-T328 WeakPolarHBondContact CA-O 3.32Å; S323-T328 PolarHBondContact N-O 3.49Å; S323-T328 PolarHBondContact OG-N 3.2Å; S326-T328 PolarHBondContact O-N 2.73Å; S326-T328 VanDerWaalsContact O-N 3.13Å; S326-T328 PolarHBondContact OG-OG1 3.44Å; T328-I332 HydrophobicContact CG2-CB 3.85Å; T328-I332 HydrophobicContact CG2-CG2 3.97Å; T328-L333 HydrophobicContact CG2-CD2 3.63Å; T328-L333 HydrophobicContact CG2-CG 3.96Å; T328-V361 HydrophobicContact CG2-CG2 4.21Å; T328-P362 WeakPolarHBondContact OG1-CD 3.24Å; T328-P362 WeakPolarHBondContact OG1-CG 3.34Å
329	P	94.4	Very high	91.5	Very high	54 Å²	54	53.4 Å²	53.4	35%	0.351	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-62.2	144.1	178.6	-23.3	32.5	0	0	0	113.5	F322 G327 A331 I332 L333	F322-P329 HydrophobicContact CD1-CB 4.17Å; F322-P329 HydrophobicContact CD1-CG 3.99Å; F322-P329 HydrophobicContact CE1-CB 4.19Å; F322-P329 HydrophobicContact CE1-CG 3.91Å; G327-P329 WeakPolarHBondContact O-CD 3.3Å; P329-A331 PolarHBondContact O-N 3.5Å; P329-A331 VanDerWaalsContact O-N 3.12Å; P329-I332 PolarHBondContact O-N 3.13Å; P329-L333 PolarHBondContact O-N 3.45Å
330	S	95	Very high	92	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-34.8	-176.4	64.6	0	0	0	0	113.9	P318 S321 I332 L333 I334	P318-S330 VanDerWaalsContact O-CB 3.23Å; P318-S330 WeakPolarHBondContact O-CB 3.28Å; P318-S330 PolarHBondContact O-OG 2.94Å; S321-S330 WeakPolarHBondContact O-CB 3.48Å; S321-S330 PolarHBondContact O-N 2.9Å; S321-S330 PolarHBondContact O-OG 3.27Å; S321-S330 WeakPolarHBondContact OG-CB 3.15Å; S330-I332 PolarHBondContact O-N 2.91Å; S330-I332 VanDerWaalsContact O-N 3.13Å; S330-L333 PolarHBondContact O-N 3.13Å; S330-L333 VanDerWaalsContact O-N 3.1Å; S330-I334 WeakPolarHBondContact O-CB 3.47Å; S330-I334 VanDerWaalsContact O-CG1 3.22Å; S330-I334 WeakPolarHBondContact O-CG1 3.4Å; S330-I334 PolarHBondContact O-N 3.24Å
331	A	94.2	Very high	92.5	Very high	57 Å²	57	41.7 Å²	41.7	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-23	175.4	0	0	0	0	0	114.6	P329	P329-A331 PolarHBondContact O-N 3.5Å; P329-A331 VanDerWaalsContact O-N 3.12Å
332	I	95	Very high	92.9	Very high	53 Å²	53	39.9 Å²	39.9	27%	0.272	22%	0.219	S	C	.	.	H	α-helix	trans	-87.2	-43.4	172.8	-58.1	-179.1	0	0	0	110.1	T328 P329 S330 I334 R335 A336 V361	T328-I332 HydrophobicContact CG2-CB 3.85Å; T328-I332 HydrophobicContact CG2-CG2 3.97Å; P329-I332 PolarHBondContact O-N 3.13Å; S330-I332 PolarHBondContact O-N 2.91Å; S330-I332 VanDerWaalsContact O-N 3.13Å; I332-I334 PolarHBondContact O-N 3.38Å; I332-R335 PolarHBondContact O-N 3.42Å; I332-A336 WeakPolarHBondContact O-CB 3.43Å; I332-A336 PolarHBondContact O-N 3.19Å; I332-V361 HydrophobicContact CG2-CB 4.34Å; I332-V361 HydrophobicContact CG2-CG2 4.19Å
333	L	95.9	Very high	93.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-46.6	177.1	-57.1	174.8	0	0	0	111.9	Y317 T328 P329 S330 R335 A336 R337 V361 E365	Y317-L333 HydrophobicContact CD1-CB 4.22Å; Y317-L333 HydrophobicContact CD1-CD1 3.66Å; Y317-L333 HydrophobicContact CD2-CB 3.67Å; Y317-L333 HydrophobicContact CE1-CB 4.33Å; Y317-L333 HydrophobicContact CE1-CD1 3.82Å; Y317-L333 HydrophobicContact CE2-CB 3.78Å; Y317-L333 HydrophobicContact CG-CB 3.9Å; Y317-L333 HydrophobicContact CG-CD1 4.09Å; T328-L333 HydrophobicContact CG2-CD2 3.63Å; T328-L333 HydrophobicContact CG2-CG 3.96Å; P329-L333 PolarHBondContact O-N 3.45Å; S330-L333 PolarHBondContact O-N 3.13Å; S330-L333 VanDerWaalsContact O-N 3.1Å; L333-R335 PolarHBondContact O-N 2.63Å; L333-A336 PolarHBondContact O-N 3.43Å; L333-R337 WeakPolarHBondContact O-CB 3.4Å; L333-R337 PolarHBondContact O-N 3.33Å; L333-V361 HydrophobicContact CD2-CG2 3.99Å; L333-E365 HydrophobicContact CD2-CB 4.13Å; L333-E365 HydrophobicContact CD2-CG 3.95Å
334	I	95.7	Very high	93.5	Very high	30 Å²	30	32.8 Å²	32.8	15%	0.154	19%	0.186	C	C	.	.	H	α-helix	trans	-55.2	-51.7	174.4	-69.3	165	0	0	0	110.3	Y317 S330 I332 A336 R337 D338	Y317-I334 HydrophobicContact CD2-CG1 4.4Å; S330-I334 WeakPolarHBondContact O-CB 3.47Å; S330-I334 VanDerWaalsContact O-CG1 3.22Å; S330-I334 WeakPolarHBondContact O-CG1 3.4Å; S330-I334 PolarHBondContact O-N 3.24Å; I332-I334 PolarHBondContact O-N 3.38Å; I334-A336 VanDerWaalsContact C-N 3.31Å; I334-A336 PolarHBondContact O-N 3.04Å; I334-R337 PolarHBondContact O-N 3.48Å; I334-D338 VanDerWaalsContact O-CB 3.31Å; I334-D338 WeakPolarHBondContact O-CB 3.49Å; I334-D338 PolarHBondContact O-N 3.1Å
335	R	95.6	Very high	94	Very high	69 Å²	69	26.1 Å²	26.1	26%	0.26	16%	0.155	S	C	.	.	H	α-helix	trans	-64.5	-37.3	-178.6	-165	-176.3	-58.2	110.8	3.7	111.8	I332 L333 Y339 L419 L423	I332-R335 PolarHBondContact O-N 3.42Å; L333-R335 PolarHBondContact O-N 2.63Å; R335-Y339 VanDerWaalsContact O-CB 3.23Å; R335-Y339 WeakPolarHBondContact O-CB 3.37Å; R335-Y339 PolarHBondContact O-N 3.47Å; R335-L419 HydrophobicContact CG-CD2 4.1Å; R335-L423 VanDerWaalsContact CD-CD2 3.41Å; R335-L423 HydrophobicContact CG-CD2 4.01Å; R335-L423 HydrophobicContact CG-CG 4.43Å
336	A	96.8	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-45.1	177	0	0	0	0	0	112.3	I332 L333 I334 Y339 I340 T359 V361 I369	I332-A336 WeakPolarHBondContact O-CB 3.43Å; I332-A336 PolarHBondContact O-N 3.19Å; L333-A336 PolarHBondContact O-N 3.43Å; I334-A336 VanDerWaalsContact C-N 3.31Å; I334-A336 PolarHBondContact O-N 3.04Å; A336-Y339 PolarHBondContact O-N 2.89Å; A336-I340 WeakPolarHBondContact O-CD1 3.44Å; A336-I340 VanDerWaalsContact O-CG1 3.28Å; A336-I340 WeakPolarHBondContact O-CG1 3.33Å; A336-I340 PolarHBondContact O-N 2.79Å; A336-T359 HydrophobicContact CB-CG2 4.11Å; A336-V361 HydrophobicContact CB-CB 3.93Å; A336-V361 HydrophobicContact CB-CG1 3.99Å; A336-V361 HydrophobicContact CB-CG2 4.08Å; A336-I369 HydrophobicContact CB-CD1 4.23Å
337	R	96.9	Very high	94.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-43.8	178	-173	166.9	179.3	-81.6	3	112.3	A311 S313 I316 Y317 L333 I334 Y339 I340 M341 I369 L373	A311-R337 VanDerWaalsContact O-CZ 3.32Å; A311-R337 PolarHBondContact O-NH1 3.41Å; A311-R337 PolarHBondContact O-NH2 2.94Å; S313-R337 WeakPolarHBondContact OG-CG 3.18Å; S313-R337 PolarHBondContact OG-NH1 2.81Å; I316-R337 VanDerWaalsContact CD1-CZ 3.43Å; Y317-R337 HydrophobicContact CE2-CB 4.43Å; L333-R337 WeakPolarHBondContact O-CB 3.4Å; L333-R337 PolarHBondContact O-N 3.33Å; I334-R337 PolarHBondContact O-N 3.48Å; R337-Y339 PolarHBondContact O-N 3.17Å; R337-I340 PolarHBondContact O-N 2.86Å; R337-M341 HydrophobicContact CG-CE 4.27Å; R337-M341 WeakPolarHBondContact O-CG 3.19Å; R337-M341 PolarHBondContact O-N 2.9Å; R337-I369 HydrophobicContact CB-CG2 3.74Å; R337-I369 HydrophobicContact CG-CG2 3.67Å; R337-L373 HydrophobicContact CG-CD1 3.95Å
338	D	97.2	Very high	94.7	Very high	14 Å²	14	26 Å²	26	8%	0.075	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-38.5	176.4	-75.9	15.2	0	0	0	112.3	S313 I334 M341 A342 R415 L419	S313-D338 WeakPolarHBondContact CB-OD1 3.33Å; S313-D338 PolarHBondContact OG-OD1 3.25Å; I334-D338 VanDerWaalsContact O-CB 3.31Å; I334-D338 WeakPolarHBondContact O-CB 3.49Å; I334-D338 PolarHBondContact O-N 3.1Å; D338-M341 HydrophobicContact CB-CE 4.46Å; D338-M341 PolarHBondContact O-N 3.33Å; D338-M341 WeakPolarHBondContact OD1-CE 3.22Å; D338-A342 WeakPolarHBondContact O-CB 3.13Å; D338-A342 PolarHBondContact O-N 3.14Å; D338-R415 IonicContact OD2-CZ 2.77Å; D338-R415 IonicContact OD2-NE 3.28Å; D338-R415 PolarHBondContact OD2-NE 2.82Å; D338-R415 IonicContact OD2-NH2 3.49Å; D338-R415 PolarHBondContact OD2-NH2 2.98Å; D338-L419 HydrophobicContact CB-CD1 4.1Å; D338-L419 HydrophobicContact CB-CD2 3.94Å
339	Y	97.1	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-43.1	172.2	168.2	-96.7	0	0	0	112.3	R335 A336 R337 A342 V343 L350 M358 T359 L423 L425 L428 V429	R335-Y339 VanDerWaalsContact O-CB 3.23Å; R335-Y339 WeakPolarHBondContact O-CB 3.37Å; R335-Y339 PolarHBondContact O-N 3.47Å; A336-Y339 PolarHBondContact O-N 2.89Å; R337-Y339 PolarHBondContact O-N 3.17Å; Y339-A342 PolarHBondContact O-N 2.79Å; Y339-V343 HydrophobicContact CD2-CG2 4.46Å; Y339-V343 HydrophobicContact CE1-CG2 4.46Å; Y339-V343 HydrophobicContact CE2-CG2 4.04Å; Y339-V343 WeakPolarHBondContact O-CG2 3.26Å; Y339-V343 PolarHBondContact O-N 3.21Å; Y339-L350 HydrophobicContact CE1-CD1 4.36Å; Y339-L350 HydrophobicContact CE1-CD2 4.41Å; Y339-M358 HydrophobicContact CE1-CB 4.14Å; Y339-M358 HydrophobicContact CE2-CB 4.38Å; Y339-M358 WeakPolarHBondContact OH-CG 3.42Å; Y339-T359 HydrophobicContact CD1-CG2 3.36Å; Y339-T359 HydrophobicContact CE1-CG2 3.97Å; Y339-T359 HydrophobicContact CG-CG2 3.76Å; Y339-L423 HydrophobicContact CD2-CD1 3.59Å; Y339-L423 HydrophobicContact CE2-CD1 4.29Å; Y339-L423 HydrophobicContact CG-CD1 4.05Å; Y339-L425 HydrophobicContact CE2-CD1 4.31Å; Y339-L428 HydrophobicContact CD2-CD2 4.13Å; Y339-L428 HydrophobicContact CE2-CD2 4.29Å; Y339-V429 PolarHBondContact OH-O 3.11Å
340	I	96.9	Very high	94.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-48.7	175.7	-70.6	160.1	0	0	0	110.8	A336 R337 A342 V343 F344 L350 I355 I369 L370 L373	A336-I340 WeakPolarHBondContact O-CD1 3.44Å; A336-I340 VanDerWaalsContact O-CG1 3.28Å; A336-I340 WeakPolarHBondContact O-CG1 3.33Å; A336-I340 PolarHBondContact O-N 2.79Å; R337-I340 PolarHBondContact O-N 2.86Å; I340-A342 VanDerWaalsContact C-N 3.33Å; I340-A342 PolarHBondContact O-N 3.33Å; I340-V343 PolarHBondContact O-N 3.39Å; I340-F344 HydrophobicContact CG2-CD2 3.73Å; I340-F344 HydrophobicContact CG2-CE2 3.29Å; I340-F344 HydrophobicContact CG2-CZ 3.92Å; I340-F344 WeakPolarHBondContact O-CD2 3.39Å; I340-F344 WeakPolarHBondContact O-CG 3.49Å; I340-F344 PolarHBondContact O-N 3.22Å; I340-L350 HydrophobicContact CB-CD1 4.34Å; I340-L350 HydrophobicContact CG1-CD1 4.08Å; I340-L350 HydrophobicContact CG2-CD1 4.42Å; I340-I355 HydrophobicContact CD1-CD1 3.78Å; I340-I355 HydrophobicContact CD1-CG1 4.18Å; I340-I355 HydrophobicContact CD1-CG2 3.91Å; I340-I355 HydrophobicContact CG1-CD1 3.73Å; I340-I355 HydrophobicContact CG1-CG1 3.84Å; I340-I355 HydrophobicContact CG1-CG2 4.24Å; I340-I369 HydrophobicContact CD1-CB 4.11Å; I340-I369 HydrophobicContact CD1-CG2 3.51Å; I340-L370 HydrophobicContact CG2-CD2 4Å; I340-L373 HydrophobicContact CG2-CD1 3.93Å
341	M	97.2	Very high	94.5	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-40.5	176.6	-66.7	-173.5	-65.7	0	0	112.1	V303 L305 V310 S313 R337 D338 V343 F344 H345 L373 W412	V303-M341 HydrophobicContact CG2-SD 4.37Å; L305-M341 WeakPolarHBondContact CD1-O 3.35Å; L305-M341 HydrophobicContact CD2-CB 4.06Å; L305-M341 HydrophobicContact CD2-CG 4.1Å; V310-M341 HydrophobicContact CB-SD 4.23Å; V310-M341 HydrophobicContact CG1-SD 3.57Å; V310-M341 VanDerWaalsContact CG1-SD 3.57Å; S313-M341 WeakPolarHBondContact OG-CE 3.26Å; R337-M341 HydrophobicContact CG-CE 4.27Å; R337-M341 WeakPolarHBondContact O-CG 3.19Å; R337-M341 PolarHBondContact O-N 2.9Å; D338-M341 HydrophobicContact CB-CE 4.46Å; D338-M341 PolarHBondContact O-N 3.33Å; D338-M341 WeakPolarHBondContact OD1-CE 3.22Å; M341-V343 PolarHBondContact O-N 3.47Å; M341-F344 CarbonylContact O-C 3.57Å; M341-F344 PolarHBondContact O-N 2.78Å; M341-H345 WeakPolarHBondContact O-CB 3.32Å; M341-H345 PolarHBondContact O-N 2.88Å; M341-L373 HydrophobicContact CG-CD1 3.67Å; M341-L373 HydrophobicContact CG-CD2 4.39Å; M341-L373 HydrophobicContact SD-CD1 4.48Å; M341-L373 HydrophobicContact SD-CD2 4.45Å; M341-W412 HydrophobicContact CB-CH2 3.49Å; M341-W412 VanDerWaalsContact CB-CH2 3.49Å; M341-W412 HydrophobicContact CB-CZ2 4.26Å; M341-W412 HydrophobicContact CB-CZ3 4.14Å; M341-W412 HydrophobicContact CE-CH2 4.24Å; M341-W412 HydrophobicContact CG-CH2 4.49Å; M341-W412 HydrophobicContact SD-CH2 4.37Å
342	A	96.5	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.3	-36.4	178.7	0	0	0	0	0	113.6	D338 Y339 I340 W412 I416 L419 L428	D338-A342 WeakPolarHBondContact O-CB 3.13Å; D338-A342 PolarHBondContact O-N 3.14Å; Y339-A342 PolarHBondContact O-N 2.79Å; I340-A342 VanDerWaalsContact C-N 3.33Å; I340-A342 PolarHBondContact O-N 3.33Å; A342-W412 HydrophobicContact CB-CZ3 4.26Å; A342-I416 HydrophobicContact CB-CG1 3.97Å; A342-L419 HydrophobicContact CB-CD1 3.72Å; A342-L428 HydrophobicContact CB-CD1 3.84Å; A342-L428 HydrophobicContact CB-CD2 4.4Å; A342-L428 WeakPolarHBondContact O-CD1 3.31Å
343	V	95.4	Very high	94.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-72.4	-41.8	173.4	176.4	0	0	0	0	110.6	Y339 I340 M341 H345 R346 E348 L350 L428	Y339-V343 HydrophobicContact CD2-CG2 4.46Å; Y339-V343 HydrophobicContact CE1-CG2 4.46Å; Y339-V343 HydrophobicContact CE2-CG2 4.04Å; Y339-V343 WeakPolarHBondContact O-CG2 3.26Å; Y339-V343 PolarHBondContact O-N 3.21Å; I340-V343 PolarHBondContact O-N 3.39Å; M341-V343 PolarHBondContact O-N 3.47Å; V343-H345 VanDerWaalsContact C-N 3.27Å; V343-H345 PolarHBondContact O-N 2.99Å; V343-R346 PolarHBondContact O-N 3.45Å; V343-E348 HydrophobicContact CG1-CB 3.68Å; V343-E348 PolarHBondContact O-N 3.33Å; V343-L350 HydrophobicContact CB-CD1 3.82Å; V343-L350 HydrophobicContact CB-CG 4.19Å; V343-L350 HydrophobicContact CG1-CD1 3.96Å; V343-L350 HydrophobicContact CG1-CD2 4.03Å; V343-L350 HydrophobicContact CG1-CG 3.75Å; V343-L350 HydrophobicContact CG2-CD1 4.17Å; V343-L350 HydrophobicContact CG2-CD2 4.44Å; V343-L428 HydrophobicContact CG2-CB 4.21Å; V343-L428 HydrophobicContact CG2-CD1 4.3Å
344	F	95.3	Very high	94.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-29	174.5	-70.5	-23.3	0	0	0	113.7	L305 R306 I340 M341 R346 G347 L370 L373 A374 W388 F390	L305-F344 HydrophobicContact CD2-CB 4.27Å; R306-F344 VanDerWaalsContact CD-O 3.3Å; R306-F344 WeakPolarHBondContact CD-O 3.32Å; I340-F344 HydrophobicContact CG2-CD2 3.73Å; I340-F344 HydrophobicContact CG2-CE2 3.29Å; I340-F344 HydrophobicContact CG2-CZ 3.92Å; I340-F344 WeakPolarHBondContact O-CD2 3.39Å; I340-F344 WeakPolarHBondContact O-CG 3.49Å; I340-F344 PolarHBondContact O-N 3.22Å; M341-F344 CarbonylContact O-C 3.57Å; M341-F344 PolarHBondContact O-N 2.78Å; F344-R346 VanDerWaalsContact C-N 3.31Å; F344-R346 PolarHBondContact O-N 2.89Å; F344-G347 WeakPolarHBondContact O-CA 3.37Å; F344-G347 PolarHBondContact O-N 3.38Å; F344-L370 HydrophobicContact CE2-CD2 4.06Å; F344-L370 HydrophobicContact CZ-CD2 3.65Å; F344-L373 HydrophobicContact CE2-CB 4.37Å; F344-A374 HydrophobicContact CE2-CB 3.57Å; F344-A374 HydrophobicContact CZ-CB 3.57Å; F344-W388 HydrophobicContact CZ-CB 4.46Å; F344-F390 HydrophobicContact CB-CB 3.94Å; F344-F390 HydrophobicContact CB-CD2 4.35Å; F344-F390 HydrophobicContact CB-CG 4.3Å; F344-F390 HydrophobicContact CD1-CB 4.27Å; F344-F390 HydrophobicContact CD2-CB 4.2Å; F344-F390 AromaticContact CD2-CD2 3.95Å; F344-F390 HydrophobicContact CD2-CD2 3.95Å; F344-F390 HydrophobicContact CG-CB 3.9Å; F344-F390 HydrophobicContact CG-CD2 4.36Å; F344-F390 HydrophobicContact CG-CG 4.49Å
345	H	94.8	Very high	94.1	Very high	34 Å²	34	32.8 Å²	32.8	16%	0.157	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-38.6	174.3	176.4	82.1	0	0	0	111.4	L305 M341 V343 G347 Q409 W412	L305-H345 HydrophobicContact CD1-CB 3.6Å; M341-H345 WeakPolarHBondContact O-CB 3.32Å; M341-H345 PolarHBondContact O-N 2.88Å; V343-H345 VanDerWaalsContact C-N 3.27Å; V343-H345 PolarHBondContact O-N 2.99Å; H345-G347 PolarHBondContact O-N 3.15Å; H345-Q409 PolarHBondContact CE1-OE1 2.97Å; H345-Q409 PolarHBondContact NE2-OE1 3.49Å; H345-Q409 VanDerWaalsContact NE2-OE1 3.11Å; H345-W412 HydrophobicContact CB-CD2 4.46Å; H345-W412 AromaticContact CE1-CD1 3.43Å; H345-W412 VanDerWaalsContact CE1-CD1 3.43Å; H345-W412 AromaticContact CE1-CG 3.58Å; H345-W412 AromaticContact CG-CG 3.9Å; H345-W412 AromaticContact ND1-CD1 3.31Å; H345-W412 VanDerWaalsContact ND1-CD1 3.31Å; H345-W412 AromaticContact ND1-CG 3.5Å; H345-W412 AromaticContact ND1-NE1 3.74Å; H345-W412 AromaticContact NE2-CG 3.99Å
346	R	90.9	Very high	94	Very high	119 Å²	119	30.9 Å²	30.9	45%	0.449	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.9	172.1	-64.8	-172.9	171	-165.9	-6	114.4	V343 F344 E348	V343-R346 PolarHBondContact O-N 3.45Å; F344-R346 VanDerWaalsContact C-N 3.31Å; F344-R346 PolarHBondContact O-N 2.89Å; R346-E348 VanDerWaalsContact C-N 3.27Å; R346-E348 HydrophobicContact CB-CG 4Å; R346-E348 WeakPolarHBondContact CD-OE1 3.41Å; R346-E348 PolarHBondContact O-N 2.96Å
347	G	87.4	Confident	93.8	Very high	41 Å²	41	34.7 Å²	34.7	42%	0.423	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	6.8	-176.6	0	0	0	0	0	114.9	F344 H345	F344-G347 WeakPolarHBondContact O-CA 3.37Å; F344-G347 PolarHBondContact O-N 3.38Å; H345-G347 PolarHBondContact O-N 3.15Å
348	E	88.9	Confident	93.7	Very high	54 Å²	54	37.3 Å²	37.3	25%	0.252	19%	0.188	S	C	.	.			trans	-80	179.1	-178.1	-63.4	171.2	-154.9	0	0	111.8	V343 R346 S430	V343-E348 HydrophobicContact CG1-CB 3.68Å; V343-E348 PolarHBondContact O-N 3.33Å; R346-E348 VanDerWaalsContact C-N 3.27Å; R346-E348 HydrophobicContact CB-CG 4Å; R346-E348 WeakPolarHBondContact CD-OE1 3.41Å; R346-E348 PolarHBondContact O-N 2.96Å; E348-S430 WeakPolarHBondContact OE2-CB 3.41Å; E348-S430 PolarHBondContact OE2-OG 2.69Å
349	H	90.6	Very high	93.5	Very high	55 Å²	55	36.9 Å²	36.9	26%	0.255	19%	0.186	S	C	.	.			trans	-131.1	154.7	-176	52.5	-112	0	0	0	112.4	H387 W388	H349-H387 HydrophobicContact CB-CB 4.47Å; H349-H387 AromaticContact CD2-CD2 3.54Å; H349-W388 WeakPolarHBondContact CA-O 3.43Å; H349-W388 WeakPolarHBondContact CB-O 3.49Å
350	L	93.4	Very high	93.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-135.3	142.6	-172.6	-75.8	172.5	0	0	0	113.5	Y339 I340 V343 T354 I355 W388	Y339-L350 HydrophobicContact CE1-CD1 4.36Å; Y339-L350 HydrophobicContact CE1-CD2 4.41Å; I340-L350 HydrophobicContact CB-CD1 4.34Å; I340-L350 HydrophobicContact CG1-CD1 4.08Å; I340-L350 HydrophobicContact CG2-CD1 4.42Å; V343-L350 HydrophobicContact CB-CD1 3.82Å; V343-L350 HydrophobicContact CB-CG 4.19Å; V343-L350 HydrophobicContact CG1-CD1 3.96Å; V343-L350 HydrophobicContact CG1-CD2 4.03Å; V343-L350 HydrophobicContact CG1-CG 3.75Å; V343-L350 HydrophobicContact CG2-CD1 4.17Å; V343-L350 HydrophobicContact CG2-CD2 4.44Å; L350-T354 HydrophobicContact CD2-CG2 4.08Å; L350-I355 HydrophobicContact CB-CD1 4.06Å; L350-I355 HydrophobicContact CB-CG1 4.19Å; L350-I355 HydrophobicContact CD1-CD1 4.21Å; L350-I355 HydrophobicContact CD1-CG1 3.94Å; L350-I355 HydrophobicContact CD2-CG1 4.45Å; L350-I355 HydrophobicContact CG-CG1 4.44Å; L350-W388 PolarHBondContact N-O 2.95Å; L350-W388 VanDerWaalsContact N-O 3.13Å; L350-W388 PolarHBondContact O-N 3.42Å
351	T	92.4	Very high	93.3	Very high	19 Å²	19	45.7 Å²	45.7	12%	0.117	23%	0.225	C	C	.	.			trans	-95.7	153.6	161.9	61.4	0	0	0	0	111.4	K353 T354 I355 N386 H387 D431	T351-K353 PolarHBondContact O-N 3.29Å; T351-T354 PolarHBondContact O-N 2.87Å; T351-T354 PolarHBondContact OG1-N 3.48Å; T351-T354 PolarHBondContact OG1-OG1 3.15Å; T351-I355 WeakPolarHBondContact O-CG1 3.27Å; T351-I355 PolarHBondContact O-N 3.34Å; T351-I355 VanDerWaalsContact O-N 3.1Å; T351-N386 HydrophobicContact CG2-CB 4.43Å; T351-H387 VanDerWaalsContact CG2-CD2 3.43Å; T351-H387 WeakPolarHBondContact CG2-CD2 3.46Å; T351-D431 WeakPolarHBondContact CB-OD2 3.49Å; T351-D431 WeakPolarHBondContact CG2-OD2 3.49Å; T351-D431 PolarHBondContact N-OD2 3.35Å; T351-D431 PolarHBondContact OG1-OD2 3.16Å
352	R	93.2	Very high	93.2	Very high	102 Å²	102	47.9 Å²	47.9	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-53.9	-35.5	171.9	-62.3	-171.4	-70.5	172.6	2.9	113	S356 T363 T367 L370	R352-S356 WeakPolarHBondContact O-CB 3.23Å; R352-S356 PolarHBondContact O-N 2.76Å; R352-T363 HydrophobicContact CB-CG2 4.35Å; R352-T367 WeakPolarHBondContact CD-OG1 3.22Å; R352-T367 PolarHBondContact NH1-OG1 3.11Å; R352-L370 HydrophobicContact CG-CD1 3.93Å
353	K	91.5	Very high	93	Very high	157 Å²	157	51.1 Å²	51.1	68%	0.683	26%	0.259	S	S	*	.	H	α-helix	trans	-65.2	-49.1	178.9	-174.6	171.9	-176.3	171.4	0	111.1	T351 I355 S356 C357	T351-K353 PolarHBondContact O-N 3.29Å; K353-I355 PolarHBondContact O-N 2.96Å; K353-S356 PolarHBondContact O-N 3.41Å; K353-C357 WeakPolarHBondContact O-CB 3.39Å; K353-C357 PolarHBondContact O-N 3.08Å; K353-C357 PolarHBondContact O-SG 3.45Å
354	T	92.8	Very high	92.8	Very high	23 Å²	23	55 Å²	55	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-37.8	-179.6	-68.4	0	0	0	0	111.8	L350 T351 M358 V429 D431	L350-T354 HydrophobicContact CD2-CG2 4.08Å; T351-T354 PolarHBondContact O-N 2.87Å; T351-T354 PolarHBondContact OG1-N 3.48Å; T351-T354 PolarHBondContact OG1-OG1 3.15Å; T354-M358 HydrophobicContact CG2-CG 4.28Å; T354-M358 WeakPolarHBondContact O-CB 3.47Å; T354-M358 WeakPolarHBondContact O-CG 3.47Å; T354-M358 PolarHBondContact O-N 2.92Å; T354-V429 HydrophobicContact CG2-CG1 4.4Å; T354-D431 WeakPolarHBondContact CB-OD1 3.41Å; T354-D431 PolarHBondContact OG1-OD1 3.26Å
355	I	95.3	Very high	92.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-58.3	169.4	-67	161	0	0	0	110.7	I340 L350 T351 K353 C357 M358 T359 V361 A366 L370	I340-I355 HydrophobicContact CD1-CD1 3.78Å; I340-I355 HydrophobicContact CD1-CG1 4.18Å; I340-I355 HydrophobicContact CD1-CG2 3.91Å; I340-I355 HydrophobicContact CG1-CD1 3.73Å; I340-I355 HydrophobicContact CG1-CG1 3.84Å; I340-I355 HydrophobicContact CG1-CG2 4.24Å; L350-I355 HydrophobicContact CB-CD1 4.06Å; L350-I355 HydrophobicContact CB-CG1 4.19Å; L350-I355 HydrophobicContact CD1-CD1 4.21Å; L350-I355 HydrophobicContact CD1-CG1 3.94Å; L350-I355 HydrophobicContact CD2-CG1 4.45Å; L350-I355 HydrophobicContact CG-CG1 4.44Å; T351-I355 WeakPolarHBondContact O-CG1 3.27Å; T351-I355 PolarHBondContact O-N 3.34Å; T351-I355 VanDerWaalsContact O-N 3.1Å; K353-I355 PolarHBondContact O-N 2.96Å; I355-C357 VanDerWaalsContact C-N 3.31Å; I355-C357 PolarHBondContact O-N 3.03Å; I355-M358 PolarHBondContact O-N 3Å; I355-M358 VanDerWaalsContact O-N 3.13Å; I355-T359 HydrophobicContact CG2-CG2 4.46Å; I355-T359 WeakPolarHBondContact O-CG2 3.48Å; I355-T359 PolarHBondContact O-N 3.39Å; I355-T359 PolarHBondContact O-OG1 3.35Å; I355-V361 HydrophobicContact CG2-CG1 4.01Å; I355-A366 HydrophobicContact CB-CB 4.28Å; I355-A366 HydrophobicContact CG2-CB 3.74Å; I355-L370 HydrophobicContact CD1-CD1 3.38Å; I355-L370 HydrophobicContact CD1-CD2 3.97Å; I355-L370 HydrophobicContact CD1-CG 3.69Å
356	S	94.1	Very high	92.8	Very high	29 Å²	29	53.7 Å²	53.7	20%	0.203	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-40.5	-176.6	-171.2	0	0	0	0	112.2	R352 K353 K360 V361	R352-S356 WeakPolarHBondContact O-CB 3.23Å; R352-S356 PolarHBondContact O-N 2.76Å; K353-S356 PolarHBondContact O-N 3.41Å; S356-K360 VanDerWaalsContact O-CA 3.23Å; S356-K360 WeakPolarHBondContact O-CA 3.48Å; S356-K360 PolarHBondContact O-N 3.49Å; S356-V361 WeakPolarHBondContact CA-O 3.35Å; S356-V361 WeakPolarHBondContact CB-O 3.48Å; S356-V361 PolarHBondContact OG-O 2.93Å
357	C	93	Very high	93	Very high	79 Å²	79	48.9 Å²	48.9	53%	0.534	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-37.7	175.6	-70	0	0	0	0	114	K353 I355	K353-C357 WeakPolarHBondContact O-CB 3.39Å; K353-C357 PolarHBondContact O-N 3.08Å; K353-C357 PolarHBondContact O-SG 3.45Å; I355-C357 VanDerWaalsContact C-N 3.31Å; I355-C357 PolarHBondContact O-N 3.03Å
358	M	93.4	Very high	93.3	Very high	55 Å²	55	49.8 Å²	49.8	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-85.2	-35.2	-176.7	-64.6	-64.9	98.5	0	0	112.7	Y339 T354 I355 L425 V429	Y339-M358 HydrophobicContact CE1-CB 4.14Å; Y339-M358 HydrophobicContact CE2-CB 4.38Å; Y339-M358 WeakPolarHBondContact OH-CG 3.42Å; T354-M358 HydrophobicContact CG2-CG 4.28Å; T354-M358 WeakPolarHBondContact O-CB 3.47Å; T354-M358 WeakPolarHBondContact O-CG 3.47Å; T354-M358 PolarHBondContact O-N 2.92Å; I355-M358 PolarHBondContact O-N 3Å; I355-M358 VanDerWaalsContact O-N 3.13Å; M358-L425 HydrophobicContact SD-CD1 4.46Å; M358-L425 HydrophobicContact SD-CD2 4.03Å; M358-V429 HydrophobicContact CG-CB 4.29Å; M358-V429 HydrophobicContact SD-CB 3.89Å; M358-V429 HydrophobicContact SD-CG1 4.13Å; M358-V429 HydrophobicContact SD-CG2 3.87Å
359	T	94.2	Very high	93.6	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-103.2	-12.4	-172.6	71	0	0	0	0	113.8	A336 Y339 I355 V361	A336-T359 HydrophobicContact CB-CG2 4.11Å; Y339-T359 HydrophobicContact CD1-CG2 3.36Å; Y339-T359 HydrophobicContact CE1-CG2 3.97Å; Y339-T359 HydrophobicContact CG-CG2 3.76Å; I355-T359 HydrophobicContact CG2-CG2 4.46Å; I355-T359 WeakPolarHBondContact O-CG2 3.48Å; I355-T359 PolarHBondContact O-N 3.39Å; I355-T359 PolarHBondContact O-OG1 3.35Å; T359-V361 PolarHBondContact O-N 2.98Å; T359-V361 WeakPolarHBondContact OG1-CG1 3.25Å; T359-V361 PolarHBondContact OG1-N 2.86Å
360	K	93.5	Very high	93.8	Very high	185 Å²	185	44.6 Å²	44.6	80%	0.804	23%	0.229	S	C	*	.			trans	63.6	15.6	-173.7	-51.5	-175.9	-178.9	-176.3	0	115.1	S356	S356-K360 VanDerWaalsContact O-CA 3.23Å; S356-K360 WeakPolarHBondContact O-CA 3.48Å; S356-K360 PolarHBondContact O-N 3.49Å
361	V	95.1	Very high	93.8	Very high	1 Å²	1	50 Å²	50	1%	0.006	25%	0.253	C	S	.	.			trans	-78.2	145	175.9	87.5	0	0	0	0	110.7	T328 I332 L333 A336 I355 S356 T359 E365 A366	T328-V361 HydrophobicContact CG2-CG2 4.21Å; I332-V361 HydrophobicContact CG2-CB 4.34Å; I332-V361 HydrophobicContact CG2-CG2 4.19Å; L333-V361 HydrophobicContact CD2-CG2 3.99Å; A336-V361 HydrophobicContact CB-CB 3.93Å; A336-V361 HydrophobicContact CB-CG1 3.99Å; A336-V361 HydrophobicContact CB-CG2 4.08Å; I355-V361 HydrophobicContact CG2-CG1 4.01Å; S356-V361 WeakPolarHBondContact CA-O 3.35Å; S356-V361 WeakPolarHBondContact CB-O 3.48Å; S356-V361 PolarHBondContact OG-O 2.93Å; T359-V361 PolarHBondContact O-N 2.98Å; T359-V361 WeakPolarHBondContact OG1-CG1 3.25Å; T359-V361 PolarHBondContact OG1-N 2.86Å; V361-E365 HydrophobicContact CG2-CB 3.68Å; V361-E365 HydrophobicContact CG2-CG 4.18Å; V361-A366 HydrophobicContact CG1-CB 3.91Å
362	P	94.7	Very high	93.9	Very high	48 Å²	48	50.7 Å²	50.7	31%	0.312	26%	0.258	S	S	.	.			trans	-57.6	152.9	174.4	-28.1	36.8	0	0	0	113.5	T328 V364 E365 A366	T328-P362 WeakPolarHBondContact OG1-CD 3.24Å; T328-P362 WeakPolarHBondContact OG1-CG 3.34Å; P362-V364 PolarHBondContact O-N 3.43Å; P362-E365 HydrophobicContact CB-CG 4.26Å; P362-E365 HydrophobicContact CG-CG 4.34Å; P362-E365 PolarHBondContact O-N 3.28Å; P362-A366 PolarHBondContact O-N 3.38Å
363	T	92.2	Very high	94	Very high	68 Å²	68	45.8 Å²	45.8	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-67.3	-21.3	-178	-70	0	0	0	0	113.1	R352 T367	R352-T363 HydrophobicContact CB-CG2 4.35Å; T363-T367 PolarHBondContact O-N 3.23Å; T363-T367 PolarHBondContact O-OG1 3.42Å
364	V	92.7	Very high	94.1	Very high	81 Å²	81	38.5 Å²	38.5	49%	0.491	21%	0.209	S	C	.	.	H	α-helix	trans	-67.1	-58.2	171.3	-179	0	0	0	0	110.1	H325 P362 A366 T367 E368	H325-V364 HydrophobicContact CB-CG1 4.31Å; P362-V364 PolarHBondContact O-N 3.43Å; V364-A366 VanDerWaalsContact C-N 3.29Å; V364-A366 PolarHBondContact O-N 3.25Å; V364-T367 VanDerWaalsContact O-CA 3.32Å; V364-T367 WeakPolarHBondContact O-CA 3.29Å; V364-T367 WeakPolarHBondContact O-CB 3.36Å; V364-T367 PolarHBondContact O-N 3.44Å; V364-E368 PolarHBondContact O-N 2.84Å; V364-E368 VanDerWaalsContact O-N 3.11Å
365	E	95.2	Very high	94	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-53.7	-43.6	175.1	-56.5	-56.2	145.9	0	0	112.3	S323 S326 L333 V361 P362 T367 E368 I369	S323-E365 VanDerWaalsContact CB-OE1 3.3Å; S323-E365 WeakPolarHBondContact CB-OE1 3.25Å; S323-E365 PolarHBondContact OG-OE1 3.01Å; S326-E365 WeakPolarHBondContact CB-OE1 3.34Å; S326-E365 PolarHBondContact N-OE1 3.4Å; S326-E365 VanDerWaalsContact OG-CD 3.25Å; S326-E365 VanDerWaalsContact OG-CG 3.26Å; S326-E365 WeakPolarHBondContact OG-CG 3.41Å; S326-E365 PolarHBondContact OG-OE1 2.99Å; L333-E365 HydrophobicContact CD2-CB 4.13Å; L333-E365 HydrophobicContact CD2-CG 3.95Å; V361-E365 HydrophobicContact CG2-CB 3.68Å; V361-E365 HydrophobicContact CG2-CG 4.18Å; P362-E365 HydrophobicContact CB-CG 4.26Å; P362-E365 HydrophobicContact CG-CG 4.34Å; P362-E365 PolarHBondContact O-N 3.28Å; E365-T367 PolarHBondContact O-N 2.92Å; E365-E368 PolarHBondContact O-N 2.9Å; E365-E368 VanDerWaalsContact O-N 3.15Å; E365-I369 VanDerWaalsContact O-CG1 3.3Å; E365-I369 WeakPolarHBondContact O-CG1 3.35Å; E365-I369 PolarHBondContact O-N 2.79Å
366	A	95.2	Very high	93.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-21.5	174.7	0	0	0	0	0	113.4	I355 V361 P362 V364 L370	I355-A366 HydrophobicContact CB-CB 4.28Å; I355-A366 HydrophobicContact CG2-CB 3.74Å; V361-A366 HydrophobicContact CG1-CB 3.91Å; P362-A366 PolarHBondContact O-N 3.38Å; V364-A366 VanDerWaalsContact C-N 3.29Å; V364-A366 PolarHBondContact O-N 3.25Å; A366-L370 WeakPolarHBondContact O-CB 3.48Å; A366-L370 WeakPolarHBondContact O-CD1 3.28Å; A366-L370 VanDerWaalsContact O-CG 3.3Å; A366-L370 WeakPolarHBondContact O-CG 3.45Å
367	T	93.5	Very high	93.3	Very high	18 Å²	18	46 Å²	46	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-79.7	-44.6	172	-51.9	0	0	0	0	111.3	R352 T363 V364 E365 L370 K371	R352-T367 WeakPolarHBondContact CD-OG1 3.22Å; R352-T367 PolarHBondContact NH1-OG1 3.11Å; T363-T367 PolarHBondContact O-N 3.23Å; T363-T367 PolarHBondContact O-OG1 3.42Å; V364-T367 VanDerWaalsContact O-CA 3.32Å; V364-T367 WeakPolarHBondContact O-CA 3.29Å; V364-T367 WeakPolarHBondContact O-CB 3.36Å; V364-T367 PolarHBondContact O-N 3.44Å; E365-T367 PolarHBondContact O-N 2.92Å; T367-L370 PolarHBondContact O-N 3.43Å; T367-K371 HydrophobicContact CG2-CD 4.34Å; T367-K371 WeakPolarHBondContact O-CG 3.44Å; T367-K371 PolarHBondContact O-N 2.74Å
368	E	93.7	Very high	92	Very high	60 Å²	60	45.4 Å²	45.4	28%	0.28	24%	0.238	S	C	.	.	H	α-helix	trans	-70.6	-43.1	-177.1	-55.3	-43.1	113.3	0	0	112.2	V364 E365 L370 K371 S372	V364-E368 PolarHBondContact O-N 2.84Å; V364-E368 VanDerWaalsContact O-N 3.11Å; E365-E368 PolarHBondContact O-N 2.9Å; E365-E368 VanDerWaalsContact O-N 3.15Å; E368-L370 PolarHBondContact O-N 3.1Å; E368-K371 WeakPolarHBondContact O-CB 3.25Å; E368-K371 PolarHBondContact O-N 2.76Å; E368-K371 VanDerWaalsContact O-N 3.14Å; E368-K371 WeakPolarHBondContact OE1-CD 3.36Å; E368-K371 WeakPolarHBondContact OE1-CE 3.29Å; E368-K371 IonicContact OE1-NZ 2.68Å; E368-K371 PolarHBondContact OE1-NZ 3.03Å; E368-K371 WeakPolarHBondContact OE2-CD 3.04Å; E368-K371 WeakPolarHBondContact OE2-CE 3.42Å; E368-K371 IonicContact OE2-NZ 3.52Å; E368-K371 PolarHBondContact OE2-NZ 2.96Å; E368-S372 PolarHBondContact O-N 2.72Å
369	I	95.5	Very high	90.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-33.3	173.8	-60.6	163.9	0	0	0	111.4	Y317 A336 R337 I340 E365 L373	Y317-I369 WeakPolarHBondContact OH-CG1 3.19Å; A336-I369 HydrophobicContact CB-CD1 4.23Å; R337-I369 HydrophobicContact CB-CG2 3.74Å; R337-I369 HydrophobicContact CG-CG2 3.67Å; I340-I369 HydrophobicContact CD1-CB 4.11Å; I340-I369 HydrophobicContact CD1-CG2 3.51Å; E365-I369 VanDerWaalsContact O-CG1 3.3Å; E365-I369 WeakPolarHBondContact O-CG1 3.35Å; E365-I369 PolarHBondContact O-N 2.79Å; I369-L373 HydrophobicContact CG2-CD1 4.11Å; I369-L373 WeakPolarHBondContact O-CG 3.4Å
370	L	95.2	Very high	88.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-74.2	-36.6	175.2	-85	176.7	0	0	0	112.9	I340 F344 R352 I355 A366 T367 E368 S372 L373 A374 W388	I340-L370 HydrophobicContact CG2-CD2 4Å; F344-L370 HydrophobicContact CE2-CD2 4.06Å; F344-L370 HydrophobicContact CZ-CD2 3.65Å; R352-L370 HydrophobicContact CG-CD1 3.93Å; I355-L370 HydrophobicContact CD1-CD1 3.38Å; I355-L370 HydrophobicContact CD1-CD2 3.97Å; I355-L370 HydrophobicContact CD1-CG 3.69Å; A366-L370 WeakPolarHBondContact O-CB 3.48Å; A366-L370 WeakPolarHBondContact O-CD1 3.28Å; A366-L370 VanDerWaalsContact O-CG 3.3Å; A366-L370 WeakPolarHBondContact O-CG 3.45Å; T367-L370 PolarHBondContact O-N 3.43Å; E368-L370 PolarHBondContact O-N 3.1Å; L370-S372 VanDerWaalsContact C-N 3.33Å; L370-S372 PolarHBondContact O-N 2.92Å; L370-L373 PolarHBondContact O-N 3.13Å; L370-A374 HydrophobicContact CD2-CB 4.21Å; L370-A374 PolarHBondContact O-N 3.48Å; L370-W388 HydrophobicContact CB-CD2 3.88Å; L370-W388 HydrophobicContact CB-CE3 3.9Å; L370-W388 HydrophobicContact CB-CG 4.34Å; L370-W388 HydrophobicContact CB-CH2 4.36Å; L370-W388 HydrophobicContact CB-CZ2 4.36Å; L370-W388 HydrophobicContact CB-CZ3 4.16Å; L370-W388 HydrophobicContact CD1-CB 4.15Å; L370-W388 HydrophobicContact CD1-CD2 3.96Å; L370-W388 HydrophobicContact CD1-CG 3.65Å; L370-W388 HydrophobicContact CD2-CB 3.76Å; L370-W388 HydrophobicContact CD2-CD2 4.38Å; L370-W388 HydrophobicContact CD2-CG 4.04Å; L370-W388 HydrophobicContact CG-CB 4.49Å; L370-W388 HydrophobicContact CG-CD2 4.32Å; L370-W388 HydrophobicContact CG-CG 4.25Å
371	K	93.8	Very high	87	Confident	115 Å²	115	50.6 Å²	50.6	50%	0.5	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-39.5	175.6	-79.9	158.8	154.5	177.9	0	112.6	T367 E368 W388	T367-K371 HydrophobicContact CG2-CD 4.34Å; T367-K371 WeakPolarHBondContact O-CG 3.44Å; T367-K371 PolarHBondContact O-N 2.74Å; E368-K371 WeakPolarHBondContact O-CB 3.25Å; E368-K371 PolarHBondContact O-N 2.76Å; E368-K371 VanDerWaalsContact O-N 3.14Å; E368-K371 WeakPolarHBondContact OE1-CD 3.36Å; E368-K371 WeakPolarHBondContact OE1-CE 3.29Å; E368-K371 IonicContact OE1-NZ 2.68Å; E368-K371 PolarHBondContact OE1-NZ 3.03Å; E368-K371 WeakPolarHBondContact OE2-CD 3.04Å; E368-K371 WeakPolarHBondContact OE2-CE 3.42Å; E368-K371 IonicContact OE2-NZ 3.52Å; E368-K371 PolarHBondContact OE2-NZ 2.96Å; K371-W388 HydrophobicContact CG-CH2 4.04Å
372	S	93.5	Very high	84.9	Confident	32 Å²	32	60.8 Å²	60.8	22%	0.224	33%	0.325	C	S	.	.	H	α-helix	trans	-84.2	-10.2	-178.5	72.9	0	0	0	0	114.9	Q268 E368 L370	Q268-S372 PolarHBondContact OE1-OG 3.35Å; E368-S372 PolarHBondContact O-N 2.72Å; L370-S372 VanDerWaalsContact C-N 3.33Å; L370-S372 PolarHBondContact O-N 2.92Å
373	L	94.9	Very high	83.3	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-115.2	-22.2	-178.5	-67.6	-178	0	0	0	115.1	V310 R337 I340 M341 F344 I369 L370 F390	V310-L373 HydrophobicContact CG1-CD2 3.42Å; V310-L373 VanDerWaalsContact CG1-CD2 3.42Å; R337-L373 HydrophobicContact CG-CD1 3.95Å; I340-L373 HydrophobicContact CG2-CD1 3.93Å; M341-L373 HydrophobicContact CG-CD1 3.67Å; M341-L373 HydrophobicContact CG-CD2 4.39Å; M341-L373 HydrophobicContact SD-CD1 4.48Å; M341-L373 HydrophobicContact SD-CD2 4.45Å; F344-L373 HydrophobicContact CE2-CB 4.37Å; I369-L373 HydrophobicContact CG2-CD1 4.11Å; I369-L373 WeakPolarHBondContact O-CG 3.4Å; L370-L373 PolarHBondContact O-N 3.13Å; L373-F390 WeakPolarHBondContact O-CD2 3.47Å; L373-F390 VanDerWaalsContact O-CE2 3.28Å; L373-F390 WeakPolarHBondContact O-CE2 3.5Å
374	A	94.3	Very high	82.1	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.033	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166	-163	0	0	0	0	0	113.9	F344 L370 W388 K389	F344-A374 HydrophobicContact CE2-CB 3.57Å; F344-A374 HydrophobicContact CZ-CB 3.57Å; L370-A374 HydrophobicContact CD2-CB 4.21Å; L370-A374 PolarHBondContact O-N 3.48Å; A374-W388 HydrophobicContact CB-CB 4.23Å; A374-W388 HydrophobicContact CB-CE3 4.14Å; A374-K389 WeakPolarHBondContact CB-O 3.43Å
375	C	91.4	Very high	80.9	Confident	37 Å²	37	58.4 Å²	58.4	25%	0.25	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	149.2	170.7	64.7	0	0	0	0	110.8	W388 K389	C375-W388 WeakPolarHBondContact O-CA 3.44Å; C375-K389 PolarHBondContact N-O 3.46Å; C375-K389 PolarHBondContact O-N 3.3Å; C375-K389 VanDerWaalsContact SG-CE 3.58Å
376	K	89.8	Confident	80.3	Confident	141 Å²	141	64 Å²	64	61%	0.613	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	137.5	167.3	-70.8	-180	-177.1	174	0	109.3	W388	K376-W388 HydrophobicContact CD-CH2 4.48Å; K376-W388 HydrophobicContact CD-CZ2 4.12Å; K376-W388 HydrophobicContact CG-CD2 3.8Å; K376-W388 HydrophobicContact CG-CE3 4.04Å; K376-W388 HydrophobicContact CG-CH2 3.9Å; K376-W388 HydrophobicContact CG-CZ2 3.63Å; K376-W388 HydrophobicContact CG-CZ3 4.08Å
377	M	84.2	Confident	80	Confident	31 Å²	31	65.3 Å²	65.3	15%	0.153	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-71.3	133.9	176.2	-164.2	159.8	-170.9	0	0	110.1	Q381 C384 H387 K389	M377-Q381 HydrophobicContact CE-CG 4.43Å; M377-C384 HydrophobicContact CG-CB 4.34Å; M377-C384 HydrophobicContact SD-CB 3.99Å; M377-H387 WeakPolarHBondContact CB-O 3.42Å; M377-H387 PolarHBondContact N-O 2.89Å; M377-K389 HydrophobicContact CG-CD 4.23Å
378	S	66.3	Low	80	Confident	67 Å²	67	65.3 Å²	65.3	47%	0.469	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.3	146.4	178.1	45.8	0	0	0	0	111.5	T380	S378-T380 PolarHBondContact O-N 3.47Å
379	T	58.6	Low	79.9	Confident	118 Å²	118	66.4 Å²	66.4	72%	0.724	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	1.8	-171.1	-31.1	0	0	0	0	114.7	Q381 A385	T379-Q381 VanDerWaalsContact C-N 3.32Å; T379-Q381 PolarHBondContact O-N 3.37Å; T379-A385 HydrophobicContact CG2-CB 4.09Å
380	T	57.1	Low	79.8	Confident	124 Å²	124	66.7 Å²	66.7	76%	0.761	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.4	-174.8	52.4	0	0	0	0	114	S378	S378-T380 PolarHBondContact O-N 3.47Å
381	Q	59.5	Low	79.7	Confident	111 Å²	111	70.3 Å²	70.3	52%	0.519	38%	0.384	S	S	.	.	S	Bend	trans	-99	120.5	171	-66.8	-168.9	-5.4	0	0	110.9	M377 T379 G383 C384	M377-Q381 HydrophobicContact CE-CG 4.43Å; T379-Q381 VanDerWaalsContact C-N 3.32Å; T379-Q381 PolarHBondContact O-N 3.37Å; Q381-G383 PolarHBondContact O-N 3.11Å; Q381-C384 HydrophobicContact CB-CB 4.04Å; Q381-C384 WeakPolarHBondContact O-CB 3.43Å; Q381-C384 PolarHBondContact O-N 3.23Å
382	K	51.5	Low	79.6	Confident	216 Å²	216	69.5 Å²	69.5	94%	0.939	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	120.5	-175.9	-77.4	-179	175.9	175.4	0	111.1
383	G	61.6	Low	79.7	Confident	72 Å²	72	69.1 Å²	69.1	74%	0.742	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-13.8	-179.2	0	0	0	0	0	115.1	Q381 A385	Q381-G383 PolarHBondContact O-N 3.11Å; G383-A385 PolarHBondContact O-N 2.91Å
384	C	65.9	Low	79.7	Confident	20 Å²	20	69.5 Å²	69.5	14%	0.135	39%	0.388	C	S	.	.			trans	-81.5	-5.4	-171.5	-65.2	0	0	0	0	115.3	M377 Q381 N386 H387	M377-C384 HydrophobicContact CG-CB 4.34Å; M377-C384 HydrophobicContact SD-CB 3.99Å; Q381-C384 HydrophobicContact CB-CB 4.04Å; Q381-C384 WeakPolarHBondContact O-CB 3.43Å; Q381-C384 PolarHBondContact O-N 3.23Å; C384-N386 PolarHBondContact O-N 2.92Å; C384-H387 WeakPolarHBondContact CA-ND1 3.25Å; C384-H387 WeakPolarHBondContact O-CB 3.35Å; C384-H387 PolarHBondContact O-N 3.29Å; C384-H387 PolarHBondContact O-ND1 3.39Å
385	A	67.3	Low	79.8	Confident	55 Å²	55	77.1 Å²	77.1	46%	0.455	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.9	-165.4	0	0	0	0	0	118.4	T379 G383	T379-A385 HydrophobicContact CG2-CB 4.09Å; G383-A385 PolarHBondContact O-N 2.91Å
386	N	82.6	Confident	80	Confident	122 Å²	122	79.9 Å²	79.9	65%	0.652	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	0.7	176.3	-75.2	-61.1	0	0	0	114.4	T351 C384	T351-N386 HydrophobicContact CG2-CB 4.43Å; C384-N386 PolarHBondContact O-N 2.92Å
387	H	89	Confident	80.3	Confident	29 Å²	29	73.4 Å²	73.4	13%	0.134	40%	0.402	C	S	.	.			trans	-86.8	148.4	-177.8	-58.3	81.2	0	0	0	111	H349 T351 M377 C384 D431	H349-H387 HydrophobicContact CB-CB 4.47Å; H349-H387 AromaticContact CD2-CD2 3.54Å; T351-H387 VanDerWaalsContact CG2-CD2 3.43Å; T351-H387 WeakPolarHBondContact CG2-CD2 3.46Å; M377-H387 WeakPolarHBondContact CB-O 3.42Å; M377-H387 PolarHBondContact N-O 2.89Å; C384-H387 WeakPolarHBondContact CA-ND1 3.25Å; C384-H387 WeakPolarHBondContact O-CB 3.35Å; C384-H387 PolarHBondContact O-N 3.29Å; C384-H387 PolarHBondContact O-ND1 3.39Å; H387-D431 IonicContact CD2-OD2 3.73Å; H387-D431 WeakPolarHBondContact NE2-CB 3.39Å
388	W	93.3	Very high	80.8	Confident	18 Å²	18	74.3 Å²	74.3	7%	0.068	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.4	173.2	-64.3	69.9	0	0	0	108.7	F344 H349 L350 L370 K371 A374 C375 K376	F344-W388 HydrophobicContact CZ-CB 4.46Å; H349-W388 WeakPolarHBondContact CA-O 3.43Å; H349-W388 WeakPolarHBondContact CB-O 3.49Å; L350-W388 PolarHBondContact N-O 2.95Å; L350-W388 VanDerWaalsContact N-O 3.13Å; L350-W388 PolarHBondContact O-N 3.42Å; L370-W388 HydrophobicContact CB-CD2 3.88Å; L370-W388 HydrophobicContact CB-CE3 3.9Å; L370-W388 HydrophobicContact CB-CG 4.34Å; L370-W388 HydrophobicContact CB-CH2 4.36Å; L370-W388 HydrophobicContact CB-CZ2 4.36Å; L370-W388 HydrophobicContact CB-CZ3 4.16Å; L370-W388 HydrophobicContact CD1-CB 4.15Å; L370-W388 HydrophobicContact CD1-CD2 3.96Å; L370-W388 HydrophobicContact CD1-CG 3.65Å; L370-W388 HydrophobicContact CD2-CB 3.76Å; L370-W388 HydrophobicContact CD2-CD2 4.38Å; L370-W388 HydrophobicContact CD2-CG 4.04Å; L370-W388 HydrophobicContact CG-CB 4.49Å; L370-W388 HydrophobicContact CG-CD2 4.32Å; L370-W388 HydrophobicContact CG-CG 4.25Å; K371-W388 HydrophobicContact CG-CH2 4.04Å; A374-W388 HydrophobicContact CB-CB 4.23Å; A374-W388 HydrophobicContact CB-CE3 4.14Å; C375-W388 WeakPolarHBondContact O-CA 3.44Å; K376-W388 HydrophobicContact CD-CH2 4.48Å; K376-W388 HydrophobicContact CD-CZ2 4.12Å; K376-W388 HydrophobicContact CG-CD2 3.8Å; K376-W388 HydrophobicContact CG-CE3 4.04Å; K376-W388 HydrophobicContact CG-CH2 3.9Å; K376-W388 HydrophobicContact CG-CZ2 3.63Å; K376-W388 HydrophobicContact CG-CZ3 4.08Å
389	K	91.8	Very high	82.2	Confident	82 Å²	82	80.1 Å²	80.1	36%	0.357	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.9	176.8	62.1	173	-174.4	172.8	0	108.9	A374 C375 M377	A374-K389 WeakPolarHBondContact CB-O 3.43Å; C375-K389 PolarHBondContact N-O 3.46Å; C375-K389 PolarHBondContact O-N 3.3Å; C375-K389 VanDerWaalsContact SG-CE 3.58Å; M377-K389 HydrophobicContact CG-CD 4.23Å
390	F	94.8	Very high	84	Confident	7 Å²	7	81.6 Å²	81.6	3%	0.031	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	162.6	168.4	-163	-109.7	0	0	0	111.3	L269 L305 R306 W308 F344 L373	L269-F390 HydrophobicContact CD1-CE2 4.08Å; L269-F390 HydrophobicContact CD1-CZ 3.77Å; L269-F390 HydrophobicContact CD2-CE2 4.47Å; L305-F390 HydrophobicContact CB-CE1 4.48Å; L305-F390 HydrophobicContact CB-CZ 4.11Å; L305-F390 HydrophobicContact CD2-CD2 3.85Å; L305-F390 HydrophobicContact CD2-CE1 4.47Å; L305-F390 HydrophobicContact CD2-CE2 3.51Å; L305-F390 HydrophobicContact CD2-CG 4.48Å; L305-F390 HydrophobicContact CD2-CZ 3.84Å; L305-F390 HydrophobicContact CG-CD1 4.48Å; L305-F390 HydrophobicContact CG-CD2 4.4Å; L305-F390 HydrophobicContact CG-CE1 4.1Å; L305-F390 HydrophobicContact CG-CE2 4.04Å; L305-F390 HydrophobicContact CG-CZ 3.86Å; L305-F390 VanDerWaalsContact O-CE1 3.32Å; L305-F390 WeakPolarHBondContact O-CE1 3.48Å; R306-F390 HydrophobicContact CB-CD1 4.15Å; R306-F390 HydrophobicContact CB-CE1 4.14Å; R306-F390 HydrophobicContact CG-CD1 4.49Å; W308-F390 HydrophobicContact CB-CE1 4.19Å; W308-F390 HydrophobicContact CB-CZ 3.97Å; W308-F390 AromaticContact CD1-CE1 3.79Å; W308-F390 HydrophobicContact CG-CE1 4.05Å; W308-F390 HydrophobicContact CG-CZ 4.14Å; F344-F390 HydrophobicContact CB-CB 3.94Å; F344-F390 HydrophobicContact CB-CD2 4.35Å; F344-F390 HydrophobicContact CB-CG 4.3Å; F344-F390 HydrophobicContact CD1-CB 4.27Å; F344-F390 HydrophobicContact CD2-CB 4.2Å; F344-F390 AromaticContact CD2-CD2 3.95Å; F344-F390 HydrophobicContact CD2-CD2 3.95Å; F344-F390 HydrophobicContact CG-CB 3.9Å; F344-F390 HydrophobicContact CG-CD2 4.36Å; F344-F390 HydrophobicContact CG-CG 4.49Å; L373-F390 WeakPolarHBondContact O-CD2 3.47Å; L373-F390 VanDerWaalsContact O-CE2 3.28Å; L373-F390 WeakPolarHBondContact O-CE2 3.5Å
391	Y	93	Very high	85.9	Confident	76 Å²	76	78.4 Å²	78.4	30%	0.298	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-62.8	160.2	175	-68.5	-91.2	0	0	0	111.7	L269	L269-Y391 HydrophobicContact CD2-CD2 3.41Å; L269-Y391 VanDerWaalsContact CD2-CD2 3.41Å; L269-Y391 HydrophobicContact CD2-CE2 3.37Å; L269-Y391 HydrophobicContact CD2-CG 4.37Å
392	P	91.7	Very high	87.6	Confident	98 Å²	98	76.4 Å²	76.4	64%	0.636	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-54.6	140.9	175.9	-25.2	35.4	0	0	0	112	W308 D394	W308-P392 PolarHBondContact NE1-O 2.89Å; P392-D394 PolarHBondContact O-N 2.88Å
393	T	94.4	Very high	89.7	Confident	23 Å²	23	71.8 Å²	71.8	14%	0.141	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-58.5	131	-179.3	-59.9	0	0	0	0	111.2	R306 Y395 I398	R306-T393 HydrophobicContact CB-CG2 4.4Å; R306-T393 PolarHBondContact NE-OG1 3.25Å; R306-T393 VanDerWaalsContact NE-OG1 3.08Å; R306-T393 PolarHBondContact NH2-OG1 3.46Å; R306-T393 WeakPolarHBondContact O-CA 3.29Å; T393-Y395 HydrophobicContact CG2-CD1 3.96Å; T393-Y395 HydrophobicContact CG2-CD2 4.12Å; T393-Y395 HydrophobicContact CG2-CE1 3.78Å; T393-Y395 HydrophobicContact CG2-CE2 3.95Å; T393-Y395 HydrophobicContact CG2-CG 4.12Å; T393-Y395 VanDerWaalsContact O-CD2 3.29Å; T393-Y395 WeakPolarHBondContact O-CD2 3.31Å; T393-Y395 PolarHBondContact O-N 2.86Å; T393-Y395 VanDerWaalsContact O-N 3.1Å; T393-I398 HydrophobicContact CG2-CD1 3.48Å; T393-I398 VanDerWaalsContact CG2-CD1 3.48Å
394	D	95.8	Very high	91.3	Very high	8 Å²	8	69.8 Å²	69.8	4%	0.043	35%	0.348	C	S	.	.			trans	-81.2	86.2	171.6	-174.1	-15.4	0	0	0	109.8	R271 R306 P392 D396 F397 I398	R271-D394 IonicContact CZ-OD1 2.7Å; R271-D394 IonicContact CZ-OD2 3.48Å; R271-D394 VanDerWaalsContact CZ-OD2 3.29Å; R271-D394 IonicContact NE-OD1 3.2Å; R271-D394 IonicContact NE-OD2 2.68Å; R271-D394 PolarHBondContact NE-OD2 2.66Å; R271-D394 IonicContact NH2-OD1 3.21Å; R271-D394 PolarHBondContact NH2-OD1 2.83Å; R271-D394 IonicContact NH2-OD2 2.89Å; R271-D394 PolarHBondContact NH2-OD2 2.9Å; R306-D394 PolarHBondContact O-N 2.82Å; P392-D394 PolarHBondContact O-N 2.88Å; D394-D396 VanDerWaalsContact C-N 3.26Å; D394-D396 PolarHBondContact O-N 2.99Å; D394-D396 WeakPolarHBondContact OD1-CB 3.45Å; D394-D396 PolarHBondContact OD1-N 3.37Å; D394-D396 VanDerWaalsContact OD1-N 3.13Å; D394-F397 HydrophobicContact CB-CB 4.39Å; D394-F397 PolarHBondContact OD1-N 2.91Å; D394-I398 WeakPolarHBondContact O-CD1 3.34Å; D394-I398 WeakPolarHBondContact O-CG1 3.32Å; D394-I398 PolarHBondContact O-N 3.2Å
395	Y	96	Very high	92.7	Very high	165 Å²	165	70.6 Å²	70.6	65%	0.647	35%	0.353	S	S	*	.	H	α-helix	trans	-68.6	-23.6	176.8	-66	-77.8	0	0	0	112.9	T393 I398 K399	T393-Y395 HydrophobicContact CG2-CD1 3.96Å; T393-Y395 HydrophobicContact CG2-CD2 4.12Å; T393-Y395 HydrophobicContact CG2-CE1 3.78Å; T393-Y395 HydrophobicContact CG2-CE2 3.95Å; T393-Y395 HydrophobicContact CG2-CG 4.12Å; T393-Y395 VanDerWaalsContact O-CD2 3.29Å; T393-Y395 WeakPolarHBondContact O-CD2 3.31Å; T393-Y395 PolarHBondContact O-N 2.86Å; T393-Y395 VanDerWaalsContact O-N 3.1Å; Y395-I398 PolarHBondContact O-N 2.87Å; Y395-K399 VanDerWaalsContact O-CB 3.31Å; Y395-K399 WeakPolarHBondContact O-CB 3.5Å; Y395-K399 PolarHBondContact O-N 3.49Å
396	D	95	Very high	94	Very high	94 Å²	94	74.6 Å²	74.6	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-44.4	178.4	-55.5	-52	0	0	0	110.6	R271 D394 K400	R271-D396 IonicContact CZ-OD2 2.7Å; R271-D396 IonicContact NH1-OD2 2.75Å; R271-D396 IonicContact NH2-OD2 2.99Å; R271-D396 PolarHBondContact NH2-OD2 2.77Å; D394-D396 VanDerWaalsContact C-N 3.26Å; D394-D396 PolarHBondContact O-N 2.99Å; D394-D396 WeakPolarHBondContact OD1-CB 3.45Å; D394-D396 PolarHBondContact OD1-N 3.37Å; D394-D396 VanDerWaalsContact OD1-N 3.13Å; D396-K400 WeakPolarHBondContact O-CB 3.47Å; D396-K400 WeakPolarHBondContact O-CD 3.14Å; D396-K400 VanDerWaalsContact O-CG 3.23Å; D396-K400 WeakPolarHBondContact O-CG 3.18Å; D396-K400 PolarHBondContact O-N 3.4Å
397	F	96.1	Very high	94.6	Very high	6 Å²	6	74.9 Å²	74.9	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-48.1	174.3	-175.5	-91	0	0	0	111.2	F272 L295 L304 W309 D394 K399 K400 Y401	F272-F397 HydrophobicContact CB-CD2 3.41Å; F272-F397 VanDerWaalsContact CB-CD2 3.41Å; F272-F397 HydrophobicContact CB-CE2 3.64Å; F272-F397 HydrophobicContact CB-CG 4.47Å; F272-F397 AromaticContact CD1-CD2 3.93Å; F272-F397 HydrophobicContact CD1-CD2 3.93Å; F272-F397 AromaticContact CD1-CE2 3.82Å; F272-F397 HydrophobicContact CD1-CE2 3.82Å; F272-F397 HydrophobicContact CD2-CE2 4Å; F272-F397 AromaticContact CG-CD2 3.75Å; F272-F397 HydrophobicContact CG-CD2 3.75Å; F272-F397 AromaticContact CG-CE2 3.54Å; F272-F397 HydrophobicContact CG-CE2 3.54Å; L295-F397 HydrophobicContact CD2-CE2 4.03Å; L295-F397 HydrophobicContact CD2-CZ 3.97Å; L304-F397 HydrophobicContact CD1-CD1 3.77Å; L304-F397 HydrophobicContact CD1-CE1 3.45Å; L304-F397 VanDerWaalsContact CD1-CE1 3.45Å; L304-F397 HydrophobicContact CD1-CZ 4.12Å; L304-F397 HydrophobicContact CD2-CD1 4.19Å; L304-F397 HydrophobicContact CD2-CE1 3.71Å; L304-F397 HydrophobicContact CG-CE1 4.25Å; W309-F397 AromaticContact CE2-CZ 3.94Å; W309-F397 HydrophobicContact CZ2-CE1 4.46Å; W309-F397 AromaticContact CZ2-CZ 3.87Å; W309-F397 HydrophobicContact CZ2-CZ 3.87Å; W309-F397 AromaticContact NE1-CE2 3.53Å; W309-F397 AromaticContact NE1-CZ 3.46Å; D394-F397 HydrophobicContact CB-CB 4.39Å; D394-F397 PolarHBondContact OD1-N 2.91Å; F397-K399 VanDerWaalsContact C-N 3.31Å; F397-K399 PolarHBondContact O-N 3.18Å; F397-K400 PolarHBondContact O-N 3.29Å; F397-K400 VanDerWaalsContact O-N 3.09Å; F397-Y401 AromaticContact CD2-CD2 3.63Å; F397-Y401 HydrophobicContact CD2-CD2 3.63Å; F397-Y401 HydrophobicContact CD2-CE2 4.16Å; F397-Y401 HydrophobicContact CE1-CD2 4.49Å; F397-Y401 AromaticContact CE2-CD2 3.37Å; F397-Y401 HydrophobicContact CE2-CD2 3.37Å; F397-Y401 AromaticContact CE2-CE2 3.96Å; F397-Y401 HydrophobicContact CE2-CE2 3.96Å; F397-Y401 HydrophobicContact CE2-CG 4.15Å; F397-Y401 HydrophobicContact CG-CD2 4.32Å; F397-Y401 AromaticContact CZ-CD2 3.84Å; F397-Y401 HydrophobicContact CZ-CD2 3.84Å; F397-Y401 HydrophobicContact CZ-CG 4.18Å; F397-Y401 PolarHBondContact O-N 2.84Å
398	I	95.8	Very high	94.8	Very high	50 Å²	50	74.2 Å²	74.2	26%	0.256	36%	0.356	S	S	.	.	H	α-helix	trans	-60.2	-41	-177.2	-68.5	167.1	0	0	0	111.6	T393 D394 Y395 K400 V405	T393-I398 HydrophobicContact CG2-CD1 3.48Å; T393-I398 VanDerWaalsContact CG2-CD1 3.48Å; D394-I398 WeakPolarHBondContact O-CD1 3.34Å; D394-I398 WeakPolarHBondContact O-CG1 3.32Å; D394-I398 PolarHBondContact O-N 3.2Å; Y395-I398 PolarHBondContact O-N 2.87Å; I398-K400 VanDerWaalsContact C-N 3.34Å; I398-V405 HydrophobicContact CB-CG2 4.25Å; I398-V405 HydrophobicContact CG1-CG2 3.97Å; I398-V405 HydrophobicContact CG2-CG2 4.25Å
399	K	96.3	Very high	94.9	Very high	188 Å²	188	77 Å²	77	82%	0.817	37%	0.37	S	S	*	.	H	α-helix	trans	-69.5	-29.2	177.4	-174.2	176.7	178.1	-177.7	0	113.1	Y395 F397	Y395-K399 VanDerWaalsContact O-CB 3.31Å; Y395-K399 WeakPolarHBondContact O-CB 3.5Å; Y395-K399 PolarHBondContact O-N 3.49Å; F397-K399 VanDerWaalsContact C-N 3.31Å; F397-K399 PolarHBondContact O-N 3.18Å
400	K	95.7	Very high	95	Very high	149 Å²	149	76.7 Å²	76.7	65%	0.648	38%	0.375	S	S	*	.	H	α-helix	trans	-85.4	-28.9	-178	-74	172.6	-177.3	175.7	0	113.9	D396 F397 I398	D396-K400 WeakPolarHBondContact O-CB 3.47Å; D396-K400 WeakPolarHBondContact O-CD 3.14Å; D396-K400 VanDerWaalsContact O-CG 3.23Å; D396-K400 WeakPolarHBondContact O-CG 3.18Å; D396-K400 PolarHBondContact O-N 3.4Å; F397-K400 PolarHBondContact O-N 3.29Å; F397-K400 VanDerWaalsContact O-N 3.09Å; I398-K400 VanDerWaalsContact C-N 3.34Å
401	Y	96.1	Very high	95.1	Very high	57 Å²	57	78.8 Å²	78.8	22%	0.224	39%	0.393	C	S	.	.			trans	-133.9	57.1	-172.4	-58.3	-69.2	0	0	0	112.7	F272 N291 L295 F397 D403 I404 V405	F272-Y401 HydrophobicContact CD1-CE2 4.01Å; F272-Y401 AromaticContact CE1-CE2 3.84Å; F272-Y401 HydrophobicContact CE1-CE2 3.84Å; N291-Y401 PolarHBondContact ND2-OH 3.15Å; N291-Y401 VanDerWaalsContact ND2-OH 3.11Å; L295-Y401 HydrophobicContact CD1-CD1 3.71Å; L295-Y401 HydrophobicContact CD1-CD2 4.37Å; L295-Y401 HydrophobicContact CD1-CE1 3.5Å; L295-Y401 VanDerWaalsContact CD1-CE1 3.5Å; L295-Y401 HydrophobicContact CD1-CE2 4.18Å; L295-Y401 HydrophobicContact CD1-CG 4.15Å; F397-Y401 AromaticContact CD2-CD2 3.63Å; F397-Y401 HydrophobicContact CD2-CD2 3.63Å; F397-Y401 HydrophobicContact CD2-CE2 4.16Å; F397-Y401 HydrophobicContact CE1-CD2 4.49Å; F397-Y401 AromaticContact CE2-CD2 3.37Å; F397-Y401 HydrophobicContact CE2-CD2 3.37Å; F397-Y401 AromaticContact CE2-CE2 3.96Å; F397-Y401 HydrophobicContact CE2-CE2 3.96Å; F397-Y401 HydrophobicContact CE2-CG 4.15Å; F397-Y401 HydrophobicContact CG-CD2 4.32Å; F397-Y401 AromaticContact CZ-CD2 3.84Å; F397-Y401 HydrophobicContact CZ-CD2 3.84Å; F397-Y401 HydrophobicContact CZ-CG 4.18Å; F397-Y401 PolarHBondContact O-N 2.84Å; Y401-D403 VanDerWaalsContact C-N 3.32Å; Y401-D403 PolarHBondContact O-N 3.22Å; Y401-I404 HydrophobicContact CD1-CD1 4.42Å; Y401-I404 PolarHBondContact O-N 3.27Å; Y401-V405 WeakPolarHBondContact O-CG2 3.49Å; Y401-V405 PolarHBondContact O-N 2.92Å
402	P	95.9	Very high	95.2	Very high	69 Å²	69	75.7 Å²	75.7	45%	0.448	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-37.5	-173	25.7	-35.2	0	0	0	113.3	I404 V405 Q406	P402-I404 VanDerWaalsContact C-N 3.31Å; P402-I404 PolarHBondContact O-N 3.35Å; P402-V405 WeakPolarHBondContact O-CB 3.36Å; P402-V405 PolarHBondContact O-N 3.24Å; P402-V405 VanDerWaalsContact O-N 3.11Å; P402-Q406 PolarHBondContact O-N 3.2Å
403	D	95.1	Very high	95.4	Very high	119 Å²	119	75.2 Å²	75.2	64%	0.636	37%	0.37	S	S	*	.	H	α-helix	trans	-64.8	-38	-177.5	-42	-49	0	0	0	111.5	Y401 Q406 Q407	Y401-D403 VanDerWaalsContact C-N 3.32Å; Y401-D403 PolarHBondContact O-N 3.22Å; D403-Q406 PolarHBondContact O-N 3.13Å; D403-Q407 WeakPolarHBondContact O-CB 3.31Å; D403-Q407 PolarHBondContact O-N 2.71Å
404	I	95.3	Very high	95.4	Very high	30 Å²	30	77.5 Å²	77.5	15%	0.154	38%	0.381	C	S	.	.	H	α-helix	trans	-68.6	-37.8	175.8	-56	-175.8	0	0	0	110.2	L295 W309 Y401 P402 Q406 Q407 Q408	L295-I404 HydrophobicContact CB-CD1 3.96Å; L295-I404 HydrophobicContact CD1-CD1 3.82Å; L295-I404 HydrophobicContact CD2-CD1 3.85Å; L295-I404 HydrophobicContact CG-CD1 4.07Å; W309-I404 HydrophobicContact CH2-CG2 4.12Å; W309-I404 HydrophobicContact CZ2-CG2 4.1Å; Y401-I404 HydrophobicContact CD1-CD1 4.42Å; Y401-I404 PolarHBondContact O-N 3.27Å; P402-I404 VanDerWaalsContact C-N 3.31Å; P402-I404 PolarHBondContact O-N 3.35Å; I404-Q406 VanDerWaalsContact C-N 3.35Å; I404-Q407 PolarHBondContact O-N 3.22Å; I404-Q408 HydrophobicContact CG2-CG 4.3Å; I404-Q408 WeakPolarHBondContact O-CB 3.42Å; I404-Q408 WeakPolarHBondContact O-CG 3.33Å; I404-Q408 PolarHBondContact O-N 3.35Å
405	V	95.9	Very high	95.4	Very high	38 Å²	38	80.3 Å²	80.3	23%	0.23	39%	0.391	C	S	.	.	H	α-helix	trans	-62.1	-43.5	172.8	179.8	0	0	0	0	110.5	L304 I398 Y401 P402 Q408 Q409	L304-V405 HydrophobicContact CD2-CB 4.37Å; L304-V405 HydrophobicContact CD2-CG2 3.81Å; I398-V405 HydrophobicContact CB-CG2 4.25Å; I398-V405 HydrophobicContact CG1-CG2 3.97Å; I398-V405 HydrophobicContact CG2-CG2 4.25Å; Y401-V405 WeakPolarHBondContact O-CG2 3.49Å; Y401-V405 PolarHBondContact O-N 2.92Å; P402-V405 WeakPolarHBondContact O-CB 3.36Å; P402-V405 PolarHBondContact O-N 3.24Å; P402-V405 VanDerWaalsContact O-N 3.11Å; V405-Q408 PolarHBondContact O-N 3.29Å; V405-Q409 WeakPolarHBondContact O-CB 3.11Å; V405-Q409 PolarHBondContact O-N 3.49Å
406	Q	95.2	Very high	95.4	Very high	138 Å²	138	73.1 Å²	73.1	65%	0.645	36%	0.364	S	S	*	.	H	α-helix	trans	-66	-42.2	178.1	-172.1	175.6	1.7	0	0	112.3	P402 D403 I404 Q409 V410	P402-Q406 PolarHBondContact O-N 3.2Å; D403-Q406 PolarHBondContact O-N 3.13Å; I404-Q406 VanDerWaalsContact C-N 3.35Å; Q406-Q409 WeakPolarHBondContact O-CB 3.47Å; Q406-Q409 PolarHBondContact O-N 3.12Å; Q406-V410 PolarHBondContact O-N 3.27Å
407	Q	94	Very high	95.5	Very high	128 Å²	128	75.2 Å²	75.2	60%	0.598	37%	0.365	S	S	*	.	H	α-helix	trans	-61.6	-44.7	174.9	-169	-172.5	27.2	0	0	111.6	D403 I404 V410 A411	D403-Q407 WeakPolarHBondContact O-CB 3.31Å; D403-Q407 PolarHBondContact O-N 2.71Å; I404-Q407 PolarHBondContact O-N 3.22Å; Q407-V410 PolarHBondContact O-N 2.99Å; Q407-A411 PolarHBondContact O-N 2.97Å; Q407-A411 VanDerWaalsContact O-N 3.15Å
408	Q	94.2	Very high	95.4	Very high	16 Å²	16	79 Å²	79	8%	0.075	38%	0.382	C	S	.	.	H	α-helix	trans	-68.9	-32.8	178.3	-67.8	-80.4	-38.7	0	0	112	L304 I404 V405 A411 W412	L304-Q408 HydrophobicContact CB-CB 3.92Å; L304-Q408 HydrophobicContact CB-CG 3.65Å; L304-Q408 HydrophobicContact CD2-CB 4.39Å; L304-Q408 HydrophobicContact CD2-CG 4.38Å; I404-Q408 HydrophobicContact CG2-CG 4.3Å; I404-Q408 WeakPolarHBondContact O-CB 3.42Å; I404-Q408 WeakPolarHBondContact O-CG 3.33Å; I404-Q408 PolarHBondContact O-N 3.35Å; V405-Q408 PolarHBondContact O-N 3.29Å; Q408-A411 PolarHBondContact O-N 3.29Å; Q408-W412 PolarHBondContact O-N 2.93Å
409	Q	94	Very high	95.4	Very high	76 Å²	76	76.6 Å²	76.6	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-48.5	172.4	178.1	61.8	34.4	0	0	111.4	H345 V405 Q406 A411 W412 E413	H345-Q409 PolarHBondContact CE1-OE1 2.97Å; H345-Q409 PolarHBondContact NE2-OE1 3.49Å; H345-Q409 VanDerWaalsContact NE2-OE1 3.11Å; V405-Q409 WeakPolarHBondContact O-CB 3.11Å; V405-Q409 PolarHBondContact O-N 3.49Å; Q406-Q409 WeakPolarHBondContact O-CB 3.47Å; Q406-Q409 PolarHBondContact O-N 3.12Å; Q409-A411 VanDerWaalsContact C-N 3.34Å; Q409-A411 PolarHBondContact O-N 3.45Å; Q409-W412 PolarHBondContact O-N 3.27Å; Q409-E413 PolarHBondContact NE2-OE1 3.09Å; Q409-E413 PolarHBondContact O-N 3.19Å
410	V	95.5	Very high	95.3	Very high	75 Å²	75	68.4 Å²	68.4	46%	0.455	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-40.5	177.5	176.9	0	0	0	0	111.3	Q406 Q407 W412 E413 I414	Q406-V410 PolarHBondContact O-N 3.27Å; Q407-V410 PolarHBondContact O-N 2.99Å; V410-W412 PolarHBondContact O-N 3.43Å; V410-E413 PolarHBondContact O-N 3.39Å; V410-I414 HydrophobicContact CG1-CD1 4.2Å; V410-I414 WeakPolarHBondContact O-CG1 3.36Å; V410-I414 PolarHBondContact O-N 3.36Å; V410-I414 VanDerWaalsContact O-N 3.15Å
411	A	95.1	Very high	95.3	Very high	51 Å²	51	66.6 Å²	66.6	42%	0.421	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-41.9	174.7	0	0	0	0	0	112.2	Q407 Q408 Q409 I414 R415	Q407-A411 PolarHBondContact O-N 2.97Å; Q407-A411 VanDerWaalsContact O-N 3.15Å; Q408-A411 PolarHBondContact O-N 3.29Å; Q409-A411 VanDerWaalsContact C-N 3.34Å; Q409-A411 PolarHBondContact O-N 3.45Å; A411-I414 PolarHBondContact O-N 3.05Å; A411-R415 PolarHBondContact O-N 3.41Å
412	W	96.1	Very high	95.1	Very high	11 Å²	11	68.2 Å²	68.2	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-42.8	174.6	-84.8	114.8	0	0	0	112.6	V303 L304 L305 M341 A342 H345 Q408 Q409 V410 I414 R415 I416	V303-W412 HydrophobicContact CB-CZ2 4.07Å; V303-W412 HydrophobicContact CG2-CH2 4.23Å; V303-W412 HydrophobicContact CG2-CZ2 3.71Å; L304-W412 PolarHBondContact O-NE1 2.98Å; L305-W412 HydrophobicContact CD1-CZ2 4.4Å; M341-W412 HydrophobicContact CB-CH2 3.49Å; M341-W412 VanDerWaalsContact CB-CH2 3.49Å; M341-W412 HydrophobicContact CB-CZ2 4.26Å; M341-W412 HydrophobicContact CB-CZ3 4.14Å; M341-W412 HydrophobicContact CE-CH2 4.24Å; M341-W412 HydrophobicContact CG-CH2 4.49Å; M341-W412 HydrophobicContact SD-CH2 4.37Å; A342-W412 HydrophobicContact CB-CZ3 4.26Å; H345-W412 HydrophobicContact CB-CD2 4.46Å; H345-W412 AromaticContact CE1-CD1 3.43Å; H345-W412 VanDerWaalsContact CE1-CD1 3.43Å; H345-W412 AromaticContact CE1-CG 3.58Å; H345-W412 AromaticContact CG-CG 3.9Å; H345-W412 AromaticContact ND1-CD1 3.31Å; H345-W412 VanDerWaalsContact ND1-CD1 3.31Å; H345-W412 AromaticContact ND1-CG 3.5Å; H345-W412 AromaticContact ND1-NE1 3.74Å; H345-W412 AromaticContact NE2-CG 3.99Å; Q408-W412 PolarHBondContact O-N 2.93Å; Q409-W412 PolarHBondContact O-N 3.27Å; V410-W412 PolarHBondContact O-N 3.43Å; W412-I414 VanDerWaalsContact C-N 3.29Å; W412-I414 PolarHBondContact O-N 3.47Å; W412-R415 HydrophobicContact CE3-CB 4.44Å; W412-R415 PolarHBondContact O-N 3.23Å; W412-R415 VanDerWaalsContact O-N 3.16Å; W412-I416 HydrophobicContact CB-CD1 4.49Å; W412-I416 WeakPolarHBondContact O-CB 3.32Å; W412-I416 WeakPolarHBondContact O-CD1 3.4Å; W412-I416 WeakPolarHBondContact O-CG1 3.31Å; W412-I416 PolarHBondContact O-N 3.06Å
413	E	95.4	Very high	95	Very high	88 Å²	88	66.3 Å²	66.3	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-39.6	176.8	-70.7	179.8	-163.6	0	0	112.7	Q409 V410 R417	Q409-E413 PolarHBondContact NE2-OE1 3.09Å; Q409-E413 PolarHBondContact O-N 3.19Å; V410-E413 PolarHBondContact O-N 3.39Å; E413-R417 WeakPolarHBondContact O-CG 3.44Å; E413-R417 PolarHBondContact O-N 3.37Å; E413-R417 VanDerWaalsContact O-N 3.07Å; E413-R417 PolarHBondContact O-NE 3.04Å; E413-R417 VanDerWaalsContact O-NE 3.09Å; E413-R417 IonicContact OE2-NH2 3.24Å
414	I	95.7	Very high	94.8	Very high	72 Å²	72	70 Å²	70	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-46.9	174.2	-65.2	165.2	0	0	0	110	V410 A411 W412 I416 R417 Q418	V410-I414 HydrophobicContact CG1-CD1 4.2Å; V410-I414 WeakPolarHBondContact O-CG1 3.36Å; V410-I414 PolarHBondContact O-N 3.36Å; V410-I414 VanDerWaalsContact O-N 3.15Å; A411-I414 PolarHBondContact O-N 3.05Å; W412-I414 VanDerWaalsContact C-N 3.29Å; W412-I414 PolarHBondContact O-N 3.47Å; I414-I416 PolarHBondContact O-N 3.32Å; I414-R417 PolarHBondContact O-N 3.24Å; I414-Q418 WeakPolarHBondContact O-CG 3.14Å; I414-Q418 PolarHBondContact O-N 3.12Å
415	R	95.5	Very high	94.5	Very high	66 Å²	66	70.3 Å²	70.3	25%	0.249	35%	0.345	C	S	.	.	H	α-helix	trans	-66.1	-37.8	-180	-169.9	53	170	-178.6	-4.1	112.6	D338 A411 W412 Q418 L419	D338-R415 IonicContact OD2-CZ 2.77Å; D338-R415 IonicContact OD2-NE 3.28Å; D338-R415 PolarHBondContact OD2-NE 2.82Å; D338-R415 IonicContact OD2-NH2 3.49Å; D338-R415 PolarHBondContact OD2-NH2 2.98Å; A411-R415 PolarHBondContact O-N 3.41Å; W412-R415 HydrophobicContact CE3-CB 4.44Å; W412-R415 PolarHBondContact O-N 3.23Å; W412-R415 VanDerWaalsContact O-N 3.16Å; R415-Q418 VanDerWaalsContact CD-OE1 3.28Å; R415-Q418 WeakPolarHBondContact O-CB 3.32Å; R415-Q418 PolarHBondContact O-N 3.28Å; R415-L419 HydrophobicContact CG-CD1 4.1Å; R415-L419 HydrophobicContact CG-CG 4.44Å; R415-L419 WeakPolarHBondContact O-CB 3.34Å; R415-L419 VanDerWaalsContact O-CG 3.26Å; R415-L419 WeakPolarHBondContact O-CG 3.33Å; R415-L419 PolarHBondContact O-N 3.01Å
416	I	96.1	Very high	94	Very high	15 Å²	15	77.4 Å²	77.4	8%	0.077	38%	0.376	C	S	.	.	H	α-helix	trans	-61.5	-46.4	174.8	-70.7	167.8	0	0	0	110.4	A342 W412 I414 Q418 L419 C420 L428	A342-I416 HydrophobicContact CB-CG1 3.97Å; W412-I416 HydrophobicContact CB-CD1 4.49Å; W412-I416 WeakPolarHBondContact O-CB 3.32Å; W412-I416 WeakPolarHBondContact O-CD1 3.4Å; W412-I416 WeakPolarHBondContact O-CG1 3.31Å; W412-I416 PolarHBondContact O-N 3.06Å; I414-I416 PolarHBondContact O-N 3.32Å; I416-Q418 PolarHBondContact O-N 3Å; I416-L419 PolarHBondContact O-N 3.46Å; I416-C420 PolarHBondContact O-N 2.88Å; I416-L428 HydrophobicContact CD1-CD1 4.38Å; I416-L428 HydrophobicContact CG1-CD1 4.14Å; I416-L428 HydrophobicContact CG2-CD1 3.98Å; I416-L428 HydrophobicContact CG2-CD2 4.42Å; I416-L428 HydrophobicContact CG2-CG 4.02Å
417	R	95.5	Very high	93.7	Very high	138 Å²	138	75 Å²	75	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-58.4	-46.1	174.8	-77.1	175.8	-98.9	136.7	-10.9	111.6	E413 I414 L419 C420 T421	E413-R417 WeakPolarHBondContact O-CG 3.44Å; E413-R417 PolarHBondContact O-N 3.37Å; E413-R417 VanDerWaalsContact O-N 3.07Å; E413-R417 PolarHBondContact O-NE 3.04Å; E413-R417 VanDerWaalsContact O-NE 3.09Å; E413-R417 IonicContact OE2-NH2 3.24Å; I414-R417 PolarHBondContact O-N 3.24Å; R417-L419 PolarHBondContact O-N 2.86Å; R417-C420 PolarHBondContact O-N 3.48Å; R417-T421 PolarHBondContact O-N 3.3Å; R417-T421 PolarHBondContact O-OG1 3.38Å
418	Q	95.7	Very high	93.5	Very high	85 Å²	85	69 Å²	69	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-44.6	175	-68.5	171.7	-1.2	0	0	112.8	I414 R415 I416 T421 Q422	I414-Q418 WeakPolarHBondContact O-CG 3.14Å; I414-Q418 PolarHBondContact O-N 3.12Å; R415-Q418 VanDerWaalsContact CD-OE1 3.28Å; R415-Q418 WeakPolarHBondContact O-CB 3.32Å; R415-Q418 PolarHBondContact O-N 3.28Å; I416-Q418 PolarHBondContact O-N 3Å; Q418-T421 PolarHBondContact O-N 3.32Å; Q418-Q422 WeakPolarHBondContact O-CG 3.5Å; Q418-Q422 PolarHBondContact O-N 3.15Å
419	L	95.2	Very high	93.1	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65	-42.8	-179.5	-73.4	165.3	0	0	0	112	R335 D338 A342 R415 I416 R417 T421 Q422 L423	R335-L419 HydrophobicContact CG-CD2 4.1Å; D338-L419 HydrophobicContact CB-CD1 4.1Å; D338-L419 HydrophobicContact CB-CD2 3.94Å; A342-L419 HydrophobicContact CB-CD1 3.72Å; R415-L419 HydrophobicContact CG-CD1 4.1Å; R415-L419 HydrophobicContact CG-CG 4.44Å; R415-L419 WeakPolarHBondContact O-CB 3.34Å; R415-L419 VanDerWaalsContact O-CG 3.26Å; R415-L419 WeakPolarHBondContact O-CG 3.33Å; R415-L419 PolarHBondContact O-N 3.01Å; I416-L419 PolarHBondContact O-N 3.46Å; R417-L419 PolarHBondContact O-N 2.86Å; L419-T421 PolarHBondContact O-N 3.36Å; L419-Q422 PolarHBondContact O-N 3.03Å; L419-L423 WeakPolarHBondContact O-CB 3.16Å; L419-L423 WeakPolarHBondContact O-CG 3.47Å; L419-L423 PolarHBondContact O-N 2.73Å
420	C	94.8	Very high	92.6	Very high	15 Å²	15	66.4 Å²	66.4	10%	0.101	33%	0.327	C	S	.	.	H	α-helix	trans	-55.1	-49.5	172.8	-78	0	0	0	0	111.4	I416 R417 L423 K424 L425	I416-C420 PolarHBondContact O-N 2.88Å; R417-C420 PolarHBondContact O-N 3.48Å; C420-L423 PolarHBondContact O-N 2.86Å; C420-K424 WeakPolarHBondContact O-CA 3.27Å; C420-K424 PolarHBondContact O-N 3.27Å; C420-L425 CarbonylContact C-O 3.52Å; C420-L425 VanDerWaalsContact CB-O 3.27Å; C420-L425 WeakPolarHBondContact CB-O 3.06Å; C420-L425 PolarHBondContact O-N 3.36Å
421	T	94.4	Very high	91.7	Very high	111 Å²	111	64.9 Å²	64.9	68%	0.681	32%	0.317	S	S	*	.	H	α-helix	trans	-61.3	-45.4	176.5	-54	0	0	0	0	112.6	R417 Q418 L419 L423 K424	R417-T421 PolarHBondContact O-N 3.3Å; R417-T421 PolarHBondContact O-OG1 3.38Å; Q418-T421 PolarHBondContact O-N 3.32Å; L419-T421 PolarHBondContact O-N 3.36Å; T421-L423 PolarHBondContact O-N 3.39Å; T421-K424 PolarHBondContact O-N 2.81Å
422	Q	93.2	Very high	89.8	Confident	91 Å²	91	65 Å²	65	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-34.3	-179.4	-73.1	-175.2	25.2	0	0	113.6	Q418 L419	Q418-Q422 WeakPolarHBondContact O-CG 3.5Å; Q418-Q422 PolarHBondContact O-N 3.15Å; L419-Q422 PolarHBondContact O-N 3.03Å
423	L	92.5	Very high	87.6	Confident	30 Å²	30	68.7 Å²	68.7	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-90.8	-4	179.9	-63.8	175.8	0	0	0	113.2	R335 Y339 L419 C420 T421 L425	R335-L423 VanDerWaalsContact CD-CD2 3.41Å; R335-L423 HydrophobicContact CG-CD2 4.01Å; R335-L423 HydrophobicContact CG-CG 4.43Å; Y339-L423 HydrophobicContact CD2-CD1 3.59Å; Y339-L423 HydrophobicContact CE2-CD1 4.29Å; Y339-L423 HydrophobicContact CG-CD1 4.05Å; L419-L423 WeakPolarHBondContact O-CB 3.16Å; L419-L423 WeakPolarHBondContact O-CG 3.47Å; L419-L423 PolarHBondContact O-N 2.73Å; C420-L423 PolarHBondContact O-N 2.86Å; T421-L423 PolarHBondContact O-N 3.39Å; L423-L425 VanDerWaalsContact C-N 3.34Å; L423-L425 HydrophobicContact CB-CD1 3.84Å; L423-L425 HydrophobicContact CB-CG 3.81Å; L423-L425 HydrophobicContact CD1-CD1 4.09Å
424	K	91.9	Very high	84.8	Confident	195 Å²	195	74.8 Å²	74.8	85%	0.848	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	44.6	-173.2	-54.5	-173.5	179.4	-172.5	0	112.6	C420 T421	C420-K424 WeakPolarHBondContact O-CA 3.27Å; C420-K424 PolarHBondContact O-N 3.27Å; T421-K424 PolarHBondContact O-N 2.81Å
425	L	89.6	Confident	82	Confident	37 Å²	37	83.2 Å²	83.2	19%	0.194	39%	0.393	C	S	.	.			trans	-110.6	140.5	176.7	-57	176	0	0	0	110	Y339 M358 C420 L423 H427 V429	Y339-L425 HydrophobicContact CE2-CD1 4.31Å; M358-L425 HydrophobicContact SD-CD1 4.46Å; M358-L425 HydrophobicContact SD-CD2 4.03Å; C420-L425 CarbonylContact C-O 3.52Å; C420-L425 VanDerWaalsContact CB-O 3.27Å; C420-L425 WeakPolarHBondContact CB-O 3.06Å; C420-L425 PolarHBondContact O-N 3.36Å; L423-L425 VanDerWaalsContact C-N 3.34Å; L423-L425 HydrophobicContact CB-CD1 3.84Å; L423-L425 HydrophobicContact CB-CG 3.81Å; L423-L425 HydrophobicContact CD1-CD1 4.09Å; L425-H427 WeakPolarHBondContact CB-O 3.09Å; L425-V429 HydrophobicContact CD1-CG2 4.49Å; L425-V429 HydrophobicContact CD2-CG2 4.33Å
426	E	85.1	Confident	79.1	Confident	188 Å²	188	90.3 Å²	90.3	88%	0.879	43%	0.426	S	S	*	.	S	Bend	trans	-70.5	-37.2	170.6	-62.6	175.6	166	0	0	111.5
427	H	88.2	Confident	76.3	Confident	88 Å²	88	101 Å²	101	41%	0.407	47%	0.465	S	S	.	.	S	Bend	trans	-144.2	157	-178.3	56.4	-86.4	0	0	0	110	L425 V429	L425-H427 WeakPolarHBondContact CB-O 3.09Å; H427-V429 PolarHBondContact O-N 2.77Å
428	L	89	Confident	73.5	Confident	2 Å²	2	101.2 Å²	101.2	1%	0.01	48%	0.477	C	S	.	.			trans	-59.8	125.8	170.4	-62.7	-179.2	0	0	0	109.6	Y339 A342 V343 I416	Y339-L428 HydrophobicContact CD2-CD2 4.13Å; Y339-L428 HydrophobicContact CE2-CD2 4.29Å; A342-L428 HydrophobicContact CB-CD1 3.84Å; A342-L428 HydrophobicContact CB-CD2 4.4Å; A342-L428 WeakPolarHBondContact O-CD1 3.31Å; V343-L428 HydrophobicContact CG2-CB 4.21Å; V343-L428 HydrophobicContact CG2-CD1 4.3Å; I416-L428 HydrophobicContact CD1-CD1 4.38Å; I416-L428 HydrophobicContact CG1-CD1 4.14Å; I416-L428 HydrophobicContact CG2-CD1 3.98Å; I416-L428 HydrophobicContact CG2-CD2 4.42Å; I416-L428 HydrophobicContact CG2-CG 4.02Å
429	V	85.9	Confident	70.5	Confident	30 Å²	30	104 Å²	104	18%	0.182	50%	0.502	C	S	.	.			trans	-87.3	136.6	175.4	178.5	0	0	0	0	109.1	Y339 T354 M358 L425 H427	Y339-V429 PolarHBondContact OH-O 3.11Å; T354-V429 HydrophobicContact CG2-CG1 4.4Å; M358-V429 HydrophobicContact CG-CB 4.29Å; M358-V429 HydrophobicContact SD-CB 3.89Å; M358-V429 HydrophobicContact SD-CG1 4.13Å; M358-V429 HydrophobicContact SD-CG2 3.87Å; L425-V429 HydrophobicContact CD1-CG2 4.49Å; L425-V429 HydrophobicContact CD2-CG2 4.33Å; H427-V429 PolarHBondContact O-N 2.77Å
430	S	83.7	Confident	67.8	Low	6 Å²	6	106.9 Å²	106.9	4%	0.042	53%	0.532	C	S	.	.			trans	-137.4	167.2	167.3	64.9	0	0	0	0	110.6	E348 G432 V433	E348-S430 WeakPolarHBondContact OE2-CB 3.41Å; E348-S430 PolarHBondContact OE2-OG 2.69Å; S430-G432 PolarHBondContact O-N 3.32Å; S430-V433 PolarHBondContact O-N 3.02Å
431	D	77.3	Confident	65.1	Low	44 Å²	44	114.6 Å²	114.6	24%	0.235	57%	0.566	C	S	.	*	G	3₁₀ helix	trans	-69.5	-19.4	-174.6	-71.5	-56.5	0	0	0	113.1	T351 T354 H387 V433	T351-D431 WeakPolarHBondContact CB-OD2 3.49Å; T351-D431 WeakPolarHBondContact CG2-OD2 3.49Å; T351-D431 PolarHBondContact N-OD2 3.35Å; T351-D431 PolarHBondContact OG1-OD2 3.16Å; T354-D431 WeakPolarHBondContact CB-OD1 3.41Å; T354-D431 PolarHBondContact OG1-OD1 3.26Å; H387-D431 IonicContact CD2-OD2 3.73Å; H387-D431 WeakPolarHBondContact NE2-CB 3.39Å; D431-V433 VanDerWaalsContact C-N 3.29Å; D431-V433 PolarHBondContact O-N 3.07Å
432	G	56	Low	62.4	Low	54 Å²	54	116.8 Å²	116.8	56%	0.557	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-69.2	-17.5	178.9	0	0	0	0	0	115.5	S430 R434	S430-G432 PolarHBondContact O-N 3.32Å; G432-R434 VanDerWaalsContact C-N 3.31Å; G432-R434 PolarHBondContact O-N 3.42Å
433	V	49	Very low	59.7	Low	88 Å²	88	118 Å²	118	53%	0.533	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-78.8	-10.8	-170	-173	0	0	0	0	113.2	S430 D431	S430-V433 PolarHBondContact O-N 3.02Å; D431-V433 VanDerWaalsContact C-N 3.29Å; D431-V433 PolarHBondContact O-N 3.07Å
434	R	36.7	Very low	57.1	Low	215 Å²	215	119.8 Å²	119.8	81%	0.811	61%	0.613	S	S	*	*			trans	-107.3	76.3	-168.2	-69.2	-171.3	173.6	-158.6	-1.5	115.4	G432	G432-R434 VanDerWaalsContact C-N 3.31Å; G432-R434 PolarHBondContact O-N 3.42Å
435	R	37.2	Very low	54.7	Low	250 Å²	250	119.7 Å²	119.7	94%	0.943	62%	0.615	S	S	*	*			trans	-178	69.6	140.4	-100.3	168.7	-147.6	-158.5	6.8	114.6
436	K	33.2	Very low	52.2	Low	215 Å²	215	123.8 Å²	123.8	94%	0.935	65%	0.647	S	S	*	*			trans	-124.1	109.7	143.2	-103.8	-169.3	175.7	-176.4	0	108.5
437	R	37.4	Very low	49.9	Very low	238 Å²	238	118.2 Å²	118.2	90%	0.898	64%	0.64	S	S	*	*			trans	-122.6	139.4	167.7	-89.2	-175.4	167	173.6	-6.1	107.6
438	N	36.9	Very low	47.6	Very low	144 Å²	144	120.1 Å²	120.1	77%	0.77	66%	0.663	S	S	*	*			trans	63.5	91	173.5	-54.1	10.4	0	0	0	115.7	G440	N438-G440 VanDerWaalsContact C-N 3.3Å; N438-G440 PolarHBondContact O-N 3.24Å
439	P	33.6	Very low	45.1	Very low	144 Å²	144	127.6 Å²	127.6	94%	0.935	70%	0.703	S	S	*	*			trans	-78.7	83.6	151.3	33.2	-28.3	0	0	0	108.4
440	G	38	Very low	43	Very low	60 Å²	60	131.7 Å²	131.7	62%	0.619	73%	0.733	S	S	*	*			trans	-127.4	112.9	-177	0	0	0	0	0	112.2	N438	N438-G440 VanDerWaalsContact C-N 3.3Å; N438-G440 PolarHBondContact O-N 3.24Å
441	Q	37.7	Very low	40.9	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	77%	0.769	S	S	*	*	S	Bend	trans	72.7	151.6	162.9	-121.7	161.5	-30.8	0	0	117.8
442	H	38.3	Very low	39.2	Very low	157 Å²	157	143 Å²	143	73%	0.727	80%	0.798	S	S	*	*			trans	70	80.1	171.6	-55.7	-64	0	0	0	119.6
443	S	37.4	Very low	38.1	Very low	116 Å²	116	143.9 Å²	143.9	81%	0.811	81%	0.808	S	S	*	*				0.7	137.5	125.6	55.1	0	0	0	0	119.6
444	G	37.4	Very low	37.2	Very low	68 Å²	68	149.1 Å²	149.1	70%	0.701	82%	0.824	S	S	*	*			trans	157.4	82.3	158.4	0	0	0	0	0	116.4
445	E	41.2	Very low	37.1	Very low	192 Å²	192	148.2 Å²	148.2	90%	0.897	83%	0.826	S	S	*	*			trans	55	153.7	146.9	-63.5	175.1	105.4	0	0	123.5
446	S	37	Very low	36.9	Very low	124 Å²	124	141.7 Å²	141.7	87%	0.867	82%	0.818	S	S	*	*			trans	-2	145.2	158.2	-50	0	0	0	0	121.1
447	G	37.7	Very low	36.9	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	82%	0.816	S	S	*	*			cis	157.9	-169.9	1.2	0	0	0	0	0	112.7
448	S	38.1	Very low	36.8	Very low	127 Å²	127	134.6 Å²	134.6	89%	0.888	81%	0.812	S	S	*	*			trans	80.9	143.9	175.8	-154.5	0	0	0	0	118.1
449	D	38.2	Very low	36.6	Very low	159 Å²	159	133.7 Å²	133.7	85%	0.85	82%	0.817	S	S	*	*			trans	-115.4	147.9	-171.6	-65.7	-79.9	0	0	0	113
450	S	41.9	Very low	36.4	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	80%	0.803	S	S	*	*			trans	-178.3	90.4	147.6	57.8	0	0	0	0	108.1
451	D	39.4	Very low	36.2	Very low	147 Å²	147	133 Å²	133	79%	0.786	81%	0.811	S	S	*	*				73.5	103	79.7	-170.1	23.2	0	0	0	115.2
452	T	41.4	Very low	35.9	Very low	139 Å²	139	133.6 Å²	133.6	85%	0.853	81%	0.813	S	S	*	*			trans	-160.6	116.8	138	35.4	0	0	0	0	110.7
453	G	31.4	Very low	36	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	82%	0.818	S	S	*	*			trans	71.1	73.3	144.6	0	0	0	0	0	120.2
454	F	30.3	Very low	35.9	Very low	197 Å²	197	132.7 Å²	132.7	86%	0.864	81%	0.81	S	S	*	*			trans	-127.4	163.9	161.3	-108	-81.7	0	0	0	111.7
455	K	36.1	Very low	36	Very low	197 Å²	197	135.6 Å²	135.6	86%	0.857	81%	0.814	S	S	*	*			trans	107.7	105.2	177.2	-61.1	151.5	-170.6	170.3	0	111.6
456	S	31.8	Very low	36.1	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	81%	0.809	S	S	*	*			cis	70.3	54.1	41.6	-161.8	0	0	0	0	114.7
457	L	33.6	Very low	35.8	Very low	167 Å²	167	130.9 Å²	130.9	87%	0.874	80%	0.799	S	S	*	*			trans	-97.2	138.4	146.2	-54.8	170.3	0	0	0	105.6
458	V	35.5	Very low	36.1	Very low	137 Å²	137	137.5 Å²	137.5	83%	0.83	81%	0.808	S	S	*	*			cis	-128.9	131.7	21.4	172.9	0	0	0	0	111.1
459	S	31.7	Very low	35.9	Very low	124 Å²	124	138.3 Å²	138.3	87%	0.867	80%	0.803	S	S	*	*			trans	-147.1	123.5	155.6	-171.5	0	0	0	0	106.8
460	G	30.4	Very low	36.2	Very low	63 Å²	63	137.7 Å²	137.7	65%	0.649	81%	0.805	S	S	*	*			trans	-166.4	36.5	-155.8	0	0	0	0	0	116.5
461	V	34.6	Very low	35.9	Very low	128 Å²	128	139.3 Å²	139.3	78%	0.776	80%	0.804	S	S	*	*			trans	-135.6	94.2	162.1	-176	0	0	0	0	109	I463	V461-I463 HydrophobicContact CG1-CG1 4.13Å
462	H	31.4	Very low	35.8	Very low	189 Å²	189	143.4 Å²	143.4	88%	0.875	81%	0.809	S	S	*	*			trans	-91.4	119.3	164.2	-81.1	-85	0	0	0	109
463	I	38.9	Very low	35.6	Very low	162 Å²	162	145.8 Å²	145.8	83%	0.831	81%	0.807	S	S	*	*			trans	-102.5	106.2	163.6	-59.2	177.6	0	0	0	107.3	V461	V461-I463 HydrophobicContact CG1-CG1 4.13Å
464	S	37	Very low	35.8	Very low	92 Å²	92	153.1 Å²	153.1	64%	0.643	81%	0.812	S	S	*	*			trans	-105	138.1	167.8	51.8	0	0	0	0	108.6
465	T	39.2	Very low	36.1	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	81%	0.805	S	S	*	*				160.9	173.6	102.5	42.7	0	0	0	0	107.6
466	P	41.5	Very low	36	Very low	123 Å²	123	151.5 Å²	151.5	80%	0.799	80%	0.804	S	S	*	*			cis	-122	169.9	-9.8	17.7	6	0	0	0	113.9
467	S	31.3	Very low	36.3	Very low	94 Å²	94	155.6 Å²	155.6	66%	0.657	81%	0.811	S	S	*	*			trans	-92.9	153.9	169	175.7	0	0	0	0	111.9
468	K	44.4	Very low	36.2	Very low	210 Å²	210	152.6 Å²	152.6	91%	0.913	80%	0.804	S	S	*	*			trans	-134.8	113.1	155.3	-79.6	-168.6	175.6	179.4	0	110.6
469	N	34	Very low	36.3	Very low	145 Å²	145	151.5 Å²	151.5	78%	0.775	80%	0.802	S	S	*	*			trans	-86.8	137.8	168.4	-77.9	-30.1	0	0	0	110.8
470	T	43.5	Very low	36.5	Very low	146 Å²	146	152 Å²	152	90%	0.896	80%	0.8	S	S	*	*			trans	-142.7	145.3	148.3	44	0	0	0	0	110.6
471	N	35.5	Very low	36.8	Very low	150 Å²	150	154.1 Å²	154.1	80%	0.802	80%	0.803	S	S	*	*			trans	-104.5	142.7	179.3	-73.1	-87.1	0	0	0	110.4
472	R	38.5	Very low	37.2	Very low	233 Å²	233	156.7 Å²	156.7	88%	0.879	81%	0.806	S	S	*	*				164	134.4	122.2	-91.1	166	172.4	-170.5	-1.7	115.8
473	K	37.6	Very low	37.6	Very low	190 Å²	190	153.5 Å²	153.5	83%	0.826	80%	0.8	S	S	*	*			trans	39.2	132	136.5	-66.7	-175.9	173	-178.8	0	122.6
474	R	35.2	Very low	37.7	Very low	228 Å²	228	150.7 Å²	150.7	86%	0.86	79%	0.791	S	S	*	*			trans	73.1	111.8	137.2	-87.5	-170.7	167.7	-174.4	-4.7	121.4
475	L	36.5	Very low	37.8	Very low	137 Å²	137	153 Å²	153	72%	0.717	80%	0.796	S	S	*	*				74.1	115.2	111.1	-162.5	74.1	0	0	0	120.8
476	R	33.7	Very low	38	Very low	223 Å²	223	152.4 Å²	152.4	84%	0.842	79%	0.792	S	S	*	*			trans	37.6	119.4	150.9	-67.3	178.4	159.6	-164.7	-5.2	119.6
477	Q	37.8	Very low	38	Very low	198 Å²	198	153.7 Å²	153.7	93%	0.925	79%	0.788	S	S	*	*				-168.6	-168.2	97.3	-107.9	178.8	-19.7	0	0	111.7
478	S	31.1	Very low	38.5	Very low	105 Å²	105	156.2 Å²	156.2	73%	0.734	79%	0.787	S	S	*	*			trans	-130.2	141.4	-151.2	52.7	0	0	0	0	116.8
479	S	38.7	Very low	38.3	Very low	114 Å²	114	153 Å²	153	80%	0.797	78%	0.78	S	S	*	*			trans	-153.5	145.1	143.3	54.9	0	0	0	0	107.7
480	V	35.4	Very low	38.6	Very low	134 Å²	134	149.8 Å²	149.8	81%	0.812	77%	0.773	S	S	*	*			cis	91.1	84.8	20.9	-172.8	0	0	0	0	115
481	C	36.9	Very low	38.4	Very low	107 Å²	107	148.4 Å²	148.4	72%	0.723	77%	0.765	S	S	*	*			trans	-144.6	147.6	145.5	-63.5	0	0	0	0	105
482	H	43.4	Very low	38.5	Very low	182 Å²	182	148.5 Å²	148.5	84%	0.843	77%	0.765	S	S	*	*			cis	-138.1	169.4	17.4	-71.1	-93.2	0	0	0	113.2
483	T	39.6	Very low	38.3	Very low	122 Å²	122	142.2 Å²	142.2	75%	0.748	76%	0.757	S	S	*	*			trans	-80.7	166.6	173	47.7	0	0	0	0	112.6
484	T	41.5	Very low	38.1	Very low	104 Å²	104	140.2 Å²	140.2	64%	0.638	76%	0.755	S	S	*	*			cis	-168.8	145.5	-2.9	19.5	0	0	0	0	109.7
485	D	39.6	Very low	38.3	Very low	140 Å²	140	138.7 Å²	138.7	75%	0.749	75%	0.754	S	S	*	*			trans	54.3	162.5	143.5	-42.6	-25.4	0	0	0	120.3
486	T	42.3	Very low	38.3	Very low	115 Å²	115	137.5 Å²	137.5	71%	0.706	76%	0.757	S	S	*	*			cis	-153.1	133.9	15.1	-38.3	0	0	0	0	112.1
487	E	41.3	Very low	38.8	Very low	151 Å²	151	132.8 Å²	132.8	71%	0.706	76%	0.756	S	S	*	*			trans	56.9	160.2	155	-72.9	-179.4	163.8	0	0	120.1
488	K	42.9	Very low	38.7	Very low	146 Å²	146	130.7 Å²	130.7	64%	0.635	75%	0.751	S	S	*	*			cis	-153.3	155.9	4	-133.2	156.6	-170	141.6	0	112.7
489	D	39.8	Very low	39.3	Very low	143 Å²	143	136.6 Å²	136.6	77%	0.765	76%	0.757	S	S	*	*			trans	4.1	155.7	149.3	-55.5	-27.7	0	0	0	122.4
490	A	39.8	Very low	39.5	Very low	77 Å²	77	140.2 Å²	140.2	64%	0.636	76%	0.759	S	S	*	*			cis	-173.5	160.5	-19.6	0	0	0	0	0	111.8
491	T	39.2	Very low	39.7	Very low	117 Å²	117	145.5 Å²	145.5	72%	0.718	76%	0.764	S	S	*	*			trans	62.6	123.5	152.7	47.5	0	0	0	0	123.6
492	N	36.9	Very low	40	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	76%	0.762	S	S	*	*				86.9	112.7	126.9	-67.7	-9.3	0	0	0	124.1
493	S	35.6	Very low	39.8	Very low	102 Å²	102	146.3 Å²	146.3	71%	0.713	76%	0.757	S	S	*	*				98.2	106.1	119.9	-155.8	0	0	0	0	121.9
494	L	34.1	Very low	40.1	Very low	147 Å²	147	146.8 Å²	146.8	77%	0.77	76%	0.759	S	S	*	*			trans	66.8	140.4	137.3	-96.4	74.9	0	0	0	123.6
495	K	37.9	Very low	40.2	Very low	196 Å²	196	148.1 Å²	148.1	85%	0.852	76%	0.759	S	S	*	*			trans	80.8	132.4	156.7	-66.9	172.7	-178.5	178	0	119.3
496	S	37.9	Very low	40.2	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	76%	0.756	S	S	*	*			trans	-80.3	162.8	164.8	53.1	0	0	0	0	111.4
497	P	42.7	Very low	40	Very low	125 Å²	125	148.4 Å²	148.4	81%	0.812	76%	0.763	S	S	*	*				-148.6	-178.4	92.1	39.1	-21.2	0	0	0	115.9
498	D	37.3	Very low	39.6	Very low	153 Å²	153	146 Å²	146	82%	0.818	76%	0.762	S	S	*	*			trans	-60	155	-179	-69.9	-86.1	0	0	0	118
499	R	43.2	Very low	39.3	Very low	229 Å²	229	144.6 Å²	144.6	86%	0.864	77%	0.771	S	S	*	*				-170.1	116.6	125	-104.9	162.7	-173.6	-150	2.8	116.5
500	K	41.9	Very low	39	Very low	191 Å²	191	143.4 Å²	143.4	83%	0.83	77%	0.774	S	S	*	*			trans	38.5	127.3	135.6	-56.4	178.9	-179.1	-179.2	0	120.1
501	R	39.7	Very low	39.1	Very low	244 Å²	244	150.8 Å²	150.8	92%	0.921	79%	0.787	S	S	*	*				176.4	161.3	90.7	-126.3	-170.3	169.6	-175.6	-2.8	107.6
502	V	44	Very low	38.8	Very low	112 Å²	112	150.5 Å²	150.5	68%	0.679	79%	0.79	S	S	*	*			cis	-142.4	150.1	-4.5	177.3	0	0	0	0	105
503	R	39.1	Very low	38.9	Very low	194 Å²	194	149.5 Å²	149.5	73%	0.732	79%	0.794	S	S	*	*			cis	96.7	53	8.2	-149.5	-138.2	161.7	106.1	-2.1	120.8	Q505	R503-Q505 VanDerWaalsContact CZ-OE1 3.22Å
504	T	45.4	Very low	38.9	Very low	132 Å²	132	147.6 Å²	147.6	81%	0.81	79%	0.791	S	S	*	*			trans	-127.5	127.9	145.1	42.6	0	0	0	0	107.1
505	Q	42.8	Very low	39	Very low	133 Å²	133	148.9 Å²	148.9	62%	0.621	80%	0.798	S	S	*	*			cis	67.4	131.1	33.3	-54.7	-155.8	-99	0	0	112.9	R503	R503-Q505 VanDerWaalsContact CZ-OE1 3.22Å
506	S	40.1	Very low	38.9	Very low	100 Å²	100	145 Å²	145	70%	0.699	80%	0.796	S	S	*	*			cis	-140.4	175.1	11.9	-62.8	0	0	0	0	110
507	L	38.8	Very low	38.6	Very low	161 Å²	161	145.1 Å²	145.1	84%	0.843	80%	0.796	S	S	*	*			cis	-152.3	-163.5	-0.5	-135.5	167.7	0	0	0	108.2
508	S	33.2	Very low	38.2	Very low	99 Å²	99	144.4 Å²	144.4	69%	0.692	79%	0.791	S	S	*	*			trans	-157.1	161.9	173.5	58.2	0	0	0	0	111.8
509	S	35.8	Very low	38	Very low	118 Å²	118	146 Å²	146	83%	0.825	79%	0.793	S	S	*	*			trans	-162.7	120.9	160.7	-83.5	0	0	0	0	111.4
510	S	34.4	Very low	37.6	Very low	117 Å²	117	140.5 Å²	140.5	82%	0.818	79%	0.788	S	S	*	*			trans	-145.5	128.5	170.2	49.3	0	0	0	0	109.2
511	Y	40.9	Very low	37.2	Very low	233 Å²	233	138.7 Å²	138.7	91%	0.914	79%	0.793	S	S	*	*			trans	-96.3	146.6	175.2	-81.1	-83.7	0	0	0	110.5
512	S	34.3	Very low	36.7	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	79%	0.786	S	S	*	*			trans	-133.5	134.7	-168.1	54.6	0	0	0	0	112.7
513	S	38.5	Very low	36.2	Very low	130 Å²	130	133.2 Å²	133.2	91%	0.909	79%	0.791	S	S	*	*			trans	163.9	146.3	159.2	40.6	0	0	0	0	108
514	G	34.6	Very low	35.8	Very low	62 Å²	62	129.7 Å²	129.7	64%	0.639	79%	0.792	S	S	*	*			cis	-176.2	177.4	-7.8	0	0	0	0	0	111.3
515	L	36.9	Very low	35.2	Very low	175 Å²	175	129.1 Å²	129.1	92%	0.916	79%	0.788	S	S	*	*			trans	61.2	105.2	170.1	-66.3	96.7	0	0	0	119.1
516	S	34.8	Very low	34.7	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	80%	0.796	S	S	*	*			trans	-49.7	143.9	152.2	49.7	0	0	0	0	116.1
517	S	32.7	Very low	34.1	Very low	114 Å²	114	134 Å²	134	80%	0.797	80%	0.802	S	S	*	*				-169.5	136.3	122.9	-167.7	0	0	0	0	111.7
518	P	34.1	Very low	33.6	Very low	109 Å²	109	131.8 Å²	131.8	71%	0.708	80%	0.8	S	S	*	*			trans	-108.2	138.5	175	36.6	-28	0	0	0	113.4
519	H	33.8	Very low	33.2	Very low	186 Å²	186	132 Å²	132	86%	0.861	80%	0.799	S	S	*	*			trans	-156.4	135.3	154.8	-108.5	-73	0	0	0	112.3
520	P	34.2	Very low	32.8	Very low	115 Å²	115	134.7 Å²	134.7	75%	0.747	80%	0.804	S	S	*	*			trans	-107.5	142	173.9	36.9	-29.7	0	0	0	112.9
521	T	34	Very low	32.4	Very low	152 Å²	152	136.9 Å²	136.9	93%	0.933	80%	0.801	S	S	*	*			trans	-143	145.9	165.8	42.8	0	0	0	0	111.5
522	S	29.1	Very low	31.9	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	80%	0.797	S	S	*	*			trans	-128.4	136.2	-168.3	57.5	0	0	0	0	113.5
523	T	32.7	Very low	31.7	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	80%	0.797	S	S	*	*			trans	-155.2	119.4	161.2	29.8	0	0	0	0	107.2
524	T	29.9	Very low	31	Very low	121 Å²	121	134.2 Å²	134.2	74%	0.742	79%	0.793	S	S	*	*				51.7	130	89.7	66.9	0	0	0	0	113
525	T	34.4	Very low	30.8	Very low	119 Å²	119	137.6 Å²	137.6	73%	0.73	80%	0.801	S	S	*	*			cis	-156	133	48.5	15	0	0	0	0	111.7
526	K	30.9	Very low	30.3	Very low	179 Å²	179	134.4 Å²	134.4	78%	0.778	79%	0.794	S	S	*	*				77.2	132.1	99.7	-82.1	-173.6	178.1	-179.7	0	117.9
527	L	28.3	Very low	30	Very low	158 Å²	158	134.3 Å²	134.3	83%	0.827	79%	0.793	S	S	*	*			trans	70.6	150.8	153.9	-61.5	163.7	0	0	0	116.5
528	S	28.9	Very low	30	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	79%	0.794	S	S	*	*			cis	-131.6	165.7	3.6	-73.6	0	0	0	0	112.5
529	C	23.7	Very low	29.7	Very low	102 Å²	102	142.8 Å²	142.8	69%	0.689	81%	0.805	S	S	*	*			trans	-95.1	147.6	172.6	-176.3	0	0	0	0	111.5
530	L	28.9	Very low	29.4	Very low	176 Å²	176	139.6 Å²	139.6	92%	0.921	80%	0.802	S	S	*	*			trans	-139.5	142.3	149.7	-80.1	-178.7	0	0	0	110
531	Q	25.8	Very low	29.4	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.762	80%	0.802	S	S	*	*			trans	-100.6	145.4	175.7	-67.3	157	-122.2	0	0	110
532	T	29.8	Very low	29.2	Very low	135 Å²	135	138.7 Å²	138.7	83%	0.828	80%	0.797	S	S	*	*			trans	-150.1	95.9	150	47.5	0	0	0	0	109.6
533	D	29.9	Very low	29.5	Very low	144 Å²	144	141.2 Å²	141.2	77%	0.77	80%	0.8	S	S	*	*			trans	35.1	149.7	140.8	-54.5	-60.9	0	0	0	124.5
534	V	24.1	Very low	29.4	Very low	138 Å²	138	140 Å²	140	84%	0.836	80%	0.797	S	S	*	*			trans	-91.3	128	172.7	174.7	0	0	0	0	109.6
535	V	30.5	Very low	29.9	Very low	133 Å²	133	140 Å²	140	81%	0.806	80%	0.798	S	S	*	*			trans	-130.3	122.9	165.3	-178.6	0	0	0	0	109.4	S537	V535-S537 PolarHBondContact O-N 3.32Å
536	S	26.6	Very low	29.9	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	80%	0.798	S	S	*	*			trans	-73.2	112.6	170.6	-67.6	0	0	0	0	110	K538	S536-K538 PolarHBondContact O-N 3.11Å
537	S	28.5	Very low	30.1	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.9	129	167.6	-162.5	0	0	0	0	110	V535	V535-S537 PolarHBondContact O-N 3.32Å
538	K	32.3	Very low	30.4	Very low	187 Å²	187	135.6 Å²	135.6	81%	0.813	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-81.3	164.1	171	-66.6	178.7	179.3	177.9	0	109.5	S536 C540	S536-K538 PolarHBondContact O-N 3.11Å; K538-C540 PolarHBondContact O-N 3.05Å
539	F	26.8	Very low	30.4	Very low	215 Å²	215	139.2 Å²	139.2	94%	0.943	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-58.9	129.9	167.3	-83.1	-103.2	0	0	0	110.1
540	C	29.3	Very low	31	Very low	118 Å²	118	141.7 Å²	141.7	80%	0.797	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-89	138	164.2	-70.5	0	0	0	0	109.5	K538	K538-C540 PolarHBondContact O-N 3.05Å
541	T	32.5	Very low	31.1	Very low	122 Å²	122	140.4 Å²	140.4	75%	0.748	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.9	152.6	168	35.9	0	0	0	0	111.1
542	P	30.9	Very low	31.4	Very low	127 Å²	127	137.7 Å²	137.7	83%	0.825	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.3	139.4	171.7	29.1	-34.1	0	0	0	110.4
543	I	35.6	Very low	31.7	Very low	166 Å²	166	137.4 Å²	137.4	85%	0.851	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-91.1	127.8	-178.9	-62.9	172.5	0	0	0	109.1
544	S	30.6	Very low	31.8	Very low	103 Å²	103	140.3 Å²	140.3	72%	0.72	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-64.1	144.8	174.2	-54.3	0	0	0	0	111.9
545	P	39.2	Very low	32.2	Very low	119 Å²	119	142.4 Å²	142.4	77%	0.773	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-65.1	148.5	175.9	28.3	-34.9	0	0	0	111.7
546	P	34.6	Very low	32.3	Very low	112 Å²	112	144.7 Å²	144.7	73%	0.727	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-73.8	149.3	-178.9	31	-35.6	0	0	0	112.1
547	P	35.3	Very low	32.7	Very low	120 Å²	120	146.5 Å²	146.5	78%	0.779	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69.9	133.9	176.8	28.8	-34.4	0	0	0	111.6	K549	P547-K549 PolarHBondContact O-N 3.07Å
548	V	34.3	Very low	32.9	Very low	133 Å²	133	147.7 Å²	147.7	81%	0.806	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.3	117.3	175.9	178.2	0	0	0	0	109.6	I550	V548-I550 PolarHBondContact O-N 3.16Å
549	K	30.1	Very low	32.8	Very low	190 Å²	190	144.3 Å²	144.3	83%	0.826	81%	0.81	S	S	*	*			trans	-78	107.5	172.9	-68.1	-176.1	179.3	-179	0	110.2	P547	P547-K549 PolarHBondContact O-N 3.07Å
550	I	35.7	Very low	33.1	Very low	153 Å²	153	140.6 Å²	140.6	79%	0.785	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-83.9	128.4	162.8	-61.5	177.8	0	0	0	107.7	V548	V548-I550 PolarHBondContact O-N 3.16Å
551	N	31.2	Very low	33.2	Very low	150 Å²	150	140.9 Å²	140.9	80%	0.802	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-84.4	117.9	-179.2	-70.4	-41.9	0	0	0	110.9
552	S	32.2	Very low	33.4	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-88.9	144.5	162.6	-59.4	0	0	0	0	110.5
553	P	36	Very low	33.3	Very low	129 Å²	129	142.6 Å²	142.6	84%	0.838	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64.7	143.7	-178.9	-21.7	33.6	0	0	0	113.1	L555	P553-L555 PolarHBondContact O-N 3.47Å
554	K	30.8	Very low	33.4	Very low	205 Å²	205	140.1 Å²	140.1	89%	0.891	81%	0.808	S	S	*	*			trans	-82.1	113.3	174.5	-64.4	177.3	-178.7	177	0	110.3
555	L	34.2	Very low	33.7	Very low	181 Å²	181	144 Å²	144	95%	0.948	82%	0.815	S	S	*	*			trans	-89.7	149.2	155.6	-82.5	169.2	0	0	0	110.2	P553	P553-L555 PolarHBondContact O-N 3.47Å
556	K	31.9	Very low	33.7	Very low	182 Å²	182	144 Å²	144	79%	0.791	82%	0.815	S	S	*	*			trans	-135.2	107.6	-161.1	-179	-172.1	179.1	-171.5	0	109.2
557	V	35.3	Very low	34.1	Very low	145 Å²	145	144.7 Å²	144.7	88%	0.879	82%	0.819	S	S	*	*			trans	-121.5	140.1	172.4	-177.3	0	0	0	0	108
558	N	33.2	Very low	34	Very low	138 Å²	138	145.7 Å²	145.7	74%	0.738	82%	0.818	S	S	*	*			trans	-81.5	153.6	-167.8	-63.3	-30.7	0	0	0	112.6
559	S	28.8	Very low	34.2	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	82%	0.818	S	S	*	*			trans	-92.5	141.7	174.4	42.3	0	0	0	0	112.4
560	T	33.4	Very low	34.5	Very low	137 Å²	137	142.1 Å²	142.1	84%	0.84	81%	0.812	S	S	*	*			trans	-143.6	112.3	161.8	28.4	0	0	0	0	108.5
561	P	32.3	Very low	34.6	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	81%	0.811	S	S	*	*			trans	-92.1	141	177.9	34.8	-31.7	0	0	0	111.6
562	I	35.1	Very low	34.7	Very low	173 Å²	173	139.7 Å²	139.7	89%	0.887	81%	0.814	S	S	*	*			trans	-132.6	140.7	162.3	-64.3	-177	0	0	0	107.5
563	S	30.5	Very low	34.8	Very low	112 Å²	112	139 Å²	139	78%	0.783	81%	0.809	S	S	*	*			trans	-114	142.2	-179	178.4	0	0	0	0	110.4
564	S	37.7	Very low	34.7	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	81%	0.81	S	S	*	*			trans	-158.7	129.1	165.1	55.1	0	0	0	0	109.7
565	E	36.4	Very low	34.9	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	80%	0.8	S	S	*	*			trans	-79.2	161.9	-179	-72.1	173.2	122.4	0	0	112.9
566	P	39.1	Very low	34.9	Very low	120 Å²	120	132.3 Å²	132.3	78%	0.779	79%	0.788	S	S	*	*			trans	-91	169	-179.1	37.8	-36.8	0	0	0	113.4
567	P	43.7	Very low	35	Very low	125 Å²	125	131.1 Å²	131.1	81%	0.812	79%	0.79	S	S	*	*			trans	-110	146	159.8	36.7	-28	0	0	0	113
568	D	32.5	Very low	34.6	Very low	141 Å²	141	129.8 Å²	129.8	75%	0.754	79%	0.787	S	S	*	*			trans	-72.2	162.4	174.5	-52.5	-83.1	0	0	0	113.6
569	N	37.3	Very low	34.6	Very low	151 Å²	151	130 Å²	130	81%	0.807	79%	0.793	S	S	*	*				174.8	150.8	105	-95.3	-72.3	0	0	0	116.5
570	S	36.7	Very low	34.6	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	79%	0.79	S	S	*	*			trans	64.7	110.6	150.6	60.1	0	0	0	0	123.1
571	S	37.4	Very low	34.7	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	78%	0.784	S	S	*	*				64.4	139.5	125.8	-46.9	0	0	0	0	120.3
572	T	35.1	Very low	34.7	Very low	140 Å²	140	131.5 Å²	131.5	86%	0.859	78%	0.783	S	S	*	*			cis	-154.3	165.2	39.9	-50.9	0	0	0	0	112.6
573	S	32.8	Very low	34.4	Very low	92 Å²	92	129.5 Å²	129.5	64%	0.643	78%	0.779	S	S	*	*			trans	-96.1	161	-166.2	58.1	0	0	0	0	117.8
574	L	34.6	Very low	34.5	Very low	162 Å²	162	131.1 Å²	131.1	85%	0.848	78%	0.784	S	S	*	*			trans	-171.1	113.8	138.2	-94.6	165.5	0	0	0	106.3
575	V	35.2	Very low	34.1	Very low	112 Å²	112	129.8 Å²	129.8	68%	0.679	78%	0.78	S	S	*	*				62.3	125	56.3	-172.5	0	0	0	0	110.4
576	S	34.8	Very low	33.9	Very low	99 Å²	99	127.3 Å²	127.3	69%	0.692	78%	0.781	S	S	*	*			cis	-161.3	166.5	24.2	28.8	0	0	0	0	109.8
577	N	33.1	Very low	33.4	Very low	158 Å²	158	130.4 Å²	130.4	85%	0.845	78%	0.782	S	S	*	*			cis	-165.4	180	-7.5	-98.8	0.2	0	0	0	108.9
578	S	27.6	Very low	33	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	79%	0.785	S	S	*	*			trans	-128.5	153.2	170.4	61	0	0	0	0	112.6
579	V	33.6	Very low	33	Very low	143 Å²	143	133.4 Å²	133.4	87%	0.867	79%	0.786	S	S	*	*			trans	-143.6	136.3	172	-179	0	0	0	0	111.2
580	S	28.4	Very low	33.1	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	78%	0.777	S	S	*	*			trans	-146.7	136.6	174	57.2	0	0	0	0	111
581	N	34.1	Very low	33.1	Very low	135 Å²	135	134.1 Å²	134.1	72%	0.722	79%	0.787	S	S	*	*			trans	-160.4	121.4	168.3	-91.7	-38.7	0	0	0	108.3
582	Q	33.6	Very low	33	Very low	169 Å²	169	132.8 Å²	132.8	79%	0.79	78%	0.783	S	S	*	*				85.6	92	78.7	-78.8	-164.9	74.4	0	0	115.8
583	T	28	Very low	33.4	Very low	130 Å²	130	131.9 Å²	131.9	80%	0.798	78%	0.78	S	S	*	*				35.3	114.6	126.3	-43.6	0	0	0	0	121.4
584	V	33.7	Very low	33.9	Very low	146 Å²	146	136.8 Å²	136.8	89%	0.885	79%	0.792	S	S	*	*			trans	-148	153	132.6	178.2	0	0	0	0	108
585	A	28.2	Very low	34	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	79%	0.786	S	S	*	*			trans	-131.4	148.6	176.2	0	0	0	0	0	112.2
586	C	31.7	Very low	34.4	Very low	133 Å²	133	135.4 Å²	135.4	90%	0.899	79%	0.788	S	S	*	*			trans	-169.2	99.8	152.8	-114.1	0	0	0	0	114.9
587	K	28.7	Very low	34.5	Very low	184 Å²	184	137.1 Å²	137.1	80%	0.8	79%	0.789	S	S	*	*			trans	10	124.5	138.1	-174	-169.3	-176.4	-172.8	0	119.7
588	L	35.6	Very low	35	Very low	166 Å²	166	135.4 Å²	135.4	87%	0.869	79%	0.787	S	S	*	*				-164.6	174	122.7	-106.7	161.4	0	0	0	112.1
589	E	32.7	Very low	35.4	Very low	164 Å²	164	133.1 Å²	133.1	77%	0.766	78%	0.782	S	S	*	*			trans	-137.6	-170.5	-155.6	-152.8	-166	156.9	0	0	110.3
590	P	39.8	Very low	35.5	Very low	97 Å²	97	134 Å²	134	63%	0.63	78%	0.78	S	S	*	*				-99.4	-174.9	-93.2	37.1	-23.2	0	0	0	114.3
591	D	36.4	Very low	35.8	Very low	166 Å²	166	134.1 Å²	134.1	89%	0.888	78%	0.781	S	S	*	*			trans	-163.1	159	133.7	-107.5	-25.3	0	0	0	113.5
592	A	34.3	Very low	35.7	Very low	84 Å²	84	132 Å²	132	69%	0.694	78%	0.782	S	S	*	*			trans	-163.7	-171.6	177.3	0	0	0	0	0	108
593	P	44.3	Very low	35.4	Very low	122 Å²	122	128.9 Å²	128.9	79%	0.792	79%	0.785	S	S	*	*			cis	-126.3	-170.3	-17.2	42.8	-27.9	0	0	0	112.3
594	E	42.9	Very low	35.5	Very low	194 Å²	194	127.3 Å²	127.3	91%	0.907	79%	0.785	S	S	*	*			trans	-164.8	156.9	136.1	-115	173	-169.5	0	0	113.4
595	D	37.1	Very low	35.3	Very low	134 Å²	134	125 Å²	125	72%	0.717	78%	0.781	S	S	*	*			trans	-124.4	-174.7	179.3	-144.4	9	0	0	0	106.1
596	P	43.7	Very low	35.3	Very low	111 Å²	111	125.4 Å²	125.4	72%	0.721	79%	0.785	S	S	*	*			cis	-142.3	174.2	13.7	42.6	-21.2	0	0	0	119.5
597	N	36.3	Very low	35.2	Very low	135 Å²	135	124 Å²	124	72%	0.722	78%	0.777	S	S	*	*			trans	-35.1	179.4	149	-97.9	-68	0	0	0	118.3
598	P	45	Very low	35.6	Very low	122 Å²	122	121.8 Å²	121.8	79%	0.792	78%	0.778	S	S	*	*			cis	-137.8	-172.9	-10.1	34.3	-13.1	0	0	0	115.5
599	G	35.9	Very low	35.4	Very low	69 Å²	69	118 Å²	118	71%	0.711	77%	0.765	S	S	*	*			trans	177.1	86.7	162.7	0	0	0	0	0	123.1
600	I	35.8	Very low	35.3	Very low	161 Å²	161	116.8 Å²	116.8	83%	0.826	76%	0.764	S	S	*	*			trans	58.6	98.1	130.9	-58.2	172.4	0	0	0	122.2
601	S	33	Very low	34.9	Very low	107 Å²	107	118.3 Å²	118.3	75%	0.748	78%	0.778	S	S	*	*				67.6	152	125.3	87.9	0	0	0	0	126.7
602	A	32.2	Very low	34.7	Very low	90 Å²	90	119.6 Å²	119.6	74%	0.744	78%	0.778	S	S	*	*			trans	92.7	93.1	140	0	0	0	0	0	121.9
603	A	28.3	Very low	34.5	Very low	104 Å²	104	124.1 Å²	124.1	86%	0.86	79%	0.787	S	S	*	*			trans	3	138.2	137.7	0	0	0	0	0	121.6
604	A	29.5	Very low	33.9	Very low	97 Å²	97	126.4 Å²	126.4	80%	0.802	79%	0.793	S	S	*	*				161.8	138.8	108.7	0	0	0	0	0	115
605	A	29	Very low	33.2	Very low	97 Å²	97	123.6 Å²	123.6	80%	0.802	78%	0.779	S	S	*	*			trans	59.1	136.9	144.4	0	0	0	0	0	123.6
606	A	30	Very low	33.1	Very low	97 Å²	97	125.1 Å²	125.1	80%	0.802	79%	0.786	S	S	*	*			trans	66.1	151.2	152.1	0	0	0	0	0	118.2
607	S	29.7	Very low	32.4	Very low	103 Å²	103	127.3 Å²	127.3	72%	0.72	78%	0.784	S	S	*	*			cis	-165.8	-158.6	-17.7	49.8	0	0	0	0	107.3
608	V	35.4	Very low	32.1	Very low	137 Å²	137	126.9 Å²	126.9	83%	0.83	79%	0.789	S	S	*	*			trans	73.4	139.9	168.9	-172.7	0	0	0	0	114.8
609	S	32.5	Very low	31.3	Very low	86 Å²	86	130.6 Å²	130.6	60%	0.601	79%	0.792	S	S	*	*			cis	-165.8	162	-37.4	-129.5	0	0	0	0	109.4
610	D	29.8	Very low	31.1	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	80%	0.803	S	S	*	*			trans	42.3	133.7	146.6	-50.8	-49.6	0	0	0	122.1
611	S	31.4	Very low	30.8	Very low	130 Å²	130	133 Å²	133	91%	0.909	80%	0.797	S	S	*	*			trans	-140.7	99.9	159.2	-68.6	0	0	0	0	108.3
612	E	32	Very low	30.9	Very low	193 Å²	193	133.6 Å²	133.6	90%	0.902	80%	0.799	S	S	*	*			trans	-85.5	157.1	-179.1	-160.6	165	-169	0	0	110.9
613	M	30.1	Very low	31	Very low	178 Å²	178	135 Å²	135	88%	0.877	80%	0.801	S	S	*	*			trans	-82.8	152.5	171.7	-60	-179.3	-177.6	0	0	110.1
614	D	32.9	Very low	31	Very low	170 Å²	170	135 Å²	135	91%	0.909	79%	0.794	S	S	*	*				-153.7	161.3	126.3	-134.7	-26.5	0	0	0	114
615	E	28.3	Very low	31.3	Very low	135 Å²	135	139.3 Å²	139.3	63%	0.631	80%	0.797	S	S	*	*			trans	-114.2	123.1	-169	-178.2	-171.5	-173.7	0	0	112.7	K617	E615-K617 IonicContact OE1-NZ 3.95Å; E615-K617 PolarHBondContact OE1-NZ 2.96Å
616	I	34.9	Very low	31.2	Very low	166 Å²	166	141.4 Å²	141.4	85%	0.851	80%	0.795	S	S	*	*			trans	-133.1	116.1	163.4	-58.5	-176.7	0	0	0	111.8
617	K	27.6	Very low	31.4	Very low	158 Å²	158	145.3 Å²	145.3	69%	0.687	80%	0.801	S	S	*	*			trans	-86.1	156.4	164.4	-85.3	175.6	-176.9	96.2	0	110.9	E615	E615-K617 IonicContact OE1-NZ 3.95Å; E615-K617 PolarHBondContact OE1-NZ 2.96Å
618	P	31.8	Very low	31.4	Very low	125 Å²	125	144.6 Å²	144.6	81%	0.812	80%	0.796	S	S	*	*				-136.5	172.7	114.8	29.2	-13.4	0	0	0	114.7
619	K	26.5	Very low	31.1	Very low	200 Å²	200	146.8 Å²	146.8	87%	0.87	80%	0.798	S	S	*	*			trans	-87.8	153.6	-176.8	-54.5	165.3	-179.1	172.1	0	111.7
620	L	32.7	Very low	31	Very low	180 Å²	180	148.2 Å²	148.2	94%	0.942	81%	0.808	S	S	*	*			trans	-153.2	152.7	143.5	-107.2	144.4	0	0	0	109.6
621	S	29.4	Very low	30.9	Very low	100 Å²	100	146.3 Å²	146.3	70%	0.699	81%	0.811	S	S	*	*			trans	-124.6	144.4	-166.7	49.8	0	0	0	0	112.2
622	P	34.9	Very low	31	Very low	121 Å²	121	148.3 Å²	148.3	79%	0.786	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.7	149.1	174	33	-34.4	0	0	0	111.8
623	P	33.8	Very low	30.9	Very low	120 Å²	120	145.9 Å²	145.9	78%	0.779	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.7	158.4	176	34.6	-35.2	0	0	0	112.9
624	S	28.3	Very low	31.1	Very low	102 Å²	102	145.1 Å²	145.1	71%	0.713	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-89.6	147.7	172.6	51.2	0	0	0	0	112.3
625	H	36.1	Very low	30.9	Very low	188 Å²	188	143.9 Å²	143.9	87%	0.87	79%	0.794	S	S	*	*			trans	-132.3	114.7	157.7	-94.6	-82.3	0	0	0	110.3
626	D	27.6	Very low	31.1	Very low	141 Å²	141	143.8 Å²	143.8	75%	0.754	81%	0.807	S	S	*	*			trans	-74.4	149.8	163.7	-77	-65.6	0	0	0	110.8
627	L	33.4	Very low	30.9	Very low	179 Å²	179	143.5 Å²	143.5	94%	0.937	80%	0.802	S	S	*	*			trans	-152	145.3	141.7	-106.2	175.3	0	0	0	108.7
628	S	30.7	Very low	31.1	Very low	88 Å²	88	143.7 Å²	143.7	62%	0.615	81%	0.81	S	S	*	*			trans	-146.3	152.4	-153.2	43.1	0	0	0	0	114.9
629	Q	29	Very low	31	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	81%	0.808	S	S	*	*			trans	58.3	108.1	156.7	-64.9	172.8	6	0	0	120.2
630	S	30.8	Very low	31.3	Very low	116 Å²	116	143 Å²	143	81%	0.811	81%	0.807	S	S	*	*				176	130.3	112.5	37.8	0	0	0	0	109
631	A	27.1	Very low	31.1	Very low	98 Å²	98	141.5 Å²	141.5	81%	0.81	80%	0.8	S	S	*	*			cis	83.7	77.7	34.8	0	0	0	0	0	114.2
632	I	32.4	Very low	31.3	Very low	173 Å²	173	140.3 Å²	140.3	89%	0.887	80%	0.804	S	S	*	*			trans	-127.3	143.4	155.4	-65.1	-178.6	0	0	0	107.5
633	I	31.5	Very low	31	Very low	142 Å²	142	141.2 Å²	141.2	73%	0.728	80%	0.802	S	S	*	*			trans	-105.9	143.2	-178.9	-64.5	158.1	0	0	0	107.7
634	D	33.5	Very low	30.9	Very low	161 Å²	161	143.7 Å²	143.7	86%	0.861	81%	0.807	S	S	*	*			trans	-156.8	150.6	141.3	-114.2	-33.8	0	0	0	113.3
635	N	29	Very low	30.8	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	81%	0.81	S	S	*	*			trans	-94.7	152.8	178.5	-75.5	-41.7	0	0	0	111.2
636	C	32.4	Very low	30.5	Very low	134 Å²	134	146.1 Å²	146.1	91%	0.905	81%	0.812	S	S	*	*			trans	-163.2	132.1	138.3	-110.4	0	0	0	0	111.7
637	H	29.7	Very low	30.3	Very low	159 Å²	159	144.8 Å²	144.8	74%	0.736	81%	0.814	S	S	*	*			trans	-74.3	158.8	161.8	-79.8	-76.6	0	0	0	110.4
638	N	33.3	Very low	30.3	Very low	162 Å²	162	141.7 Å²	141.7	87%	0.866	81%	0.807	S	S	*	*				-169.7	130.8	121.3	-93.6	-34.8	0	0	0	111
639	D	28.4	Very low	30	Very low	142 Å²	142	146.3 Å²	146.3	76%	0.759	82%	0.819	S	S	*	*			trans	-82.1	143.1	173.9	-53.4	-79	0	0	0	111.4
640	I	34.5	Very low	30.1	Very low	168 Å²	168	143.6 Å²	143.6	86%	0.862	82%	0.815	S	S	*	*			trans	-135	116.4	159.2	-62.1	-175.3	0	0	0	108.9
641	N	28.4	Very low	30.1	Very low	149 Å²	149	144.7 Å²	144.7	80%	0.797	81%	0.812	S	S	*	*			trans	-71.1	150.4	175	-81.8	-46.7	0	0	0	112.3
642	G	32.8	Very low	30.1	Very low	75 Å²	75	147.5 Å²	147.5	77%	0.773	81%	0.813	S	S	*	*			trans	-150.4	67.1	178.3	0	0	0	0	0	112.5
643	N	27.5	Very low	30.1	Very low	141 Å²	141	146.3 Å²	146.3	75%	0.754	81%	0.813	S	S	*	*			trans	-63.7	144.6	179.1	-61.7	-5	0	0	0	112
644	I	32.5	Very low	29.9	Very low	171 Å²	171	142.3 Å²	142.3	88%	0.877	81%	0.807	S	S	*	*			trans	-155.1	119.6	136.3	-97.8	146.1	0	0	0	107.3
645	E	25.8	Very low	29.8	Very low	166 Å²	166	142.3 Å²	142.3	78%	0.776	81%	0.807	S	S	*	*			trans	-88.3	152.6	164.4	-63.4	174.1	97	0	0	109.1
646	L	30	Very low	29.8	Very low	176 Å²	176	145.5 Å²	145.5	92%	0.921	81%	0.809	S	S	*	*			trans	-151.7	111.4	142.9	-143.5	83.1	0	0	0	110.6
647	S	24.2	Very low	29.8	Very low	112 Å²	112	147.4 Å²	147.4	78%	0.783	81%	0.808	S	S	*	*			trans	-106.1	137.8	177.6	-67.7	0	0	0	0	110.6
648	S	31.8	Very low	29.6	Very low	115 Å²	115	145.9 Å²	145.9	80%	0.804	81%	0.805	S	S	*	*			trans	-153.4	114.2	165.2	58.8	0	0	0	0	111.6
649	Q	25.8	Very low	29.4	Very low	184 Å²	184	144 Å²	144	86%	0.86	80%	0.804	S	S	*	*			trans	-86.7	-163.7	164.3	-67.2	177.5	-40.9	0	0	110
650	T	31	Very low	29.5	Very low	127 Å²	127	142.4 Å²	142.4	78%	0.779	80%	0.802	S	S	*	*			trans	83.3	138.8	179.3	77.3	0	0	0	0	115.5
651	D	30.1	Very low	29.1	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	80%	0.797	S	S	*	*			cis	-158.3	176.3	-18.6	-120.8	-48.6	0	0	0	115.3
652	L	27.6	Very low	29.1	Very low	157 Å²	157	139.3 Å²	139.3	82%	0.822	80%	0.8	S	S	*	*			trans	-55.8	140	-173.6	-67.6	151.5	0	0	0	119.7
653	V	32.3	Very low	29.2	Very low	148 Å²	148	141 Å²	141	90%	0.897	80%	0.797	S	S	*	*			trans	-152.8	143	148.1	-176	0	0	0	0	108.4
654	G	27.6	Very low	29.1	Very low	59 Å²	59	139.7 Å²	139.7	61%	0.608	80%	0.799	S	S	*	*			cis	177.6	-44.2	-8	0	0	0	0	0	116.1
655	N	31.5	Very low	28.8	Very low	160 Å²	160	139.3 Å²	139.3	86%	0.856	79%	0.794	S	S	*	*			trans	-111.8	125.3	-170.7	-65.8	-29.5	0	0	0	111.8
656	R	27.8	Very low	29	Very low	212 Å²	212	142.5 Å²	142.5	80%	0.8	80%	0.8	S	S	*	*			cis	65.4	106.8	41.5	-77.2	-167.8	165	-157.5	-3	116.5
657	I	32.4	Very low	28.7	Very low	173 Å²	173	139.8 Å²	139.8	89%	0.887	79%	0.786	S	S	*	*				-144.5	126.5	113.4	-60.4	-168.9	0	0	0	108
658	D	26.1	Very low	29	Very low	127 Å²	127	142.2 Å²	142.2	68%	0.679	79%	0.79	S	S	*	*			trans	-103.9	149	169.8	-58.2	-80.8	0	0	0	110.4
659	S	29.8	Very low	28.7	Very low	122 Å²	122	143 Å²	143	85%	0.853	79%	0.785	S	S	*	*			trans	-171.1	155.2	145.7	-86.5	0	0	0	0	113.3
660	P	30.7	Very low	29	Very low	109 Å²	109	141 Å²	141	71%	0.708	79%	0.785	S	S	*	*			trans	-129.4	162.1	-152.7	41.2	-25	0	0	0	117.6
661	C	25.6	Very low	28.8	Very low	112 Å²	112	141.8 Å²	141.8	76%	0.757	78%	0.783	S	S	*	*			trans	45.5	147.3	138.3	-65.9	0	0	0	0	125.2
662	T	29	Very low	28.8	Very low	140 Å²	140	142.6 Å²	142.6	86%	0.859	78%	0.784	S	S	*	*			trans	83.6	151.4	145	40.5	0	0	0	0	120.5
663	P	33.2	Very low	29	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	78%	0.779	S	S	*	*			trans	-129.2	-179.3	-149.4	44.2	-29.7	0	0	0	115
664	S	27.2	Very low	28.8	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	77%	0.773	S	S	*	*			trans	-173.3	161.9	131.4	-88.4	0	0	0	0	114.8
665	Q	25.8	Very low	29	Very low	162 Å²	162	145.5 Å²	145.5	76%	0.757	78%	0.782	S	S	*	*			trans	-45.5	146.4	173.1	-57.2	157.5	-13.8	0	0	114.6
666	Y	29.1	Very low	28.9	Very low	233 Å²	233	143.7 Å²	143.7	91%	0.914	77%	0.772	S	S	*	*			trans	-137.9	121.1	135.5	-101.4	-76.4	0	0	0	110.4
667	I	25.2	Very low	29.1	Very low	120 Å²	120	141.3 Å²	141.3	62%	0.615	78%	0.775	S	S	*	*			trans	-85	140.9	171.2	-61	170.6	0	0	0	107.6
668	N	30	Very low	28.9	Very low	162 Å²	162	140.1 Å²	140.1	87%	0.866	77%	0.771	S	S	*	*			trans	-146.6	110	150.5	-104.1	-29.6	0	0	0	109.7
669	N	25	Very low	29.2	Very low	133 Å²	133	141.8 Å²	141.8	71%	0.711	78%	0.779	S	S	*	*			trans	-81.6	130.1	173.1	-66.8	-21.9	0	0	0	109.2
670	T	31.6	Very low	29	Very low	141 Å²	141	142.9 Å²	142.9	87%	0.865	78%	0.775	S	S	*	*			trans	-124.7	100.9	152.3	-55.3	0	0	0	0	107.7
671	I	26.5	Very low	29	Very low	143 Å²	143	144.5 Å²	144.5	73%	0.733	77%	0.772	S	S	*	*			trans	-67.2	143.9	168.8	-64.9	159.4	0	0	0	108
672	M	31.9	Very low	29.2	Very low	156 Å²	156	145.3 Å²	145.3	77%	0.768	77%	0.768	S	S	*	*			trans	-166.8	132.9	132.8	-88.4	-98	-71.3	0	0	110.5
673	D	31.6	Very low	29.2	Very low	133 Å²	133	144.9 Å²	144.9	71%	0.711	76%	0.761	S	S	*	*			trans	63.7	97.2	154.5	-54.8	-20.6	0	0	0	121.5
674	N	27.5	Very low	29.1	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	77%	0.767	S	S	*	*			trans	-53.4	150.8	159.7	-55.6	-53	0	0	0	113
675	N	32.2	Very low	29.7	Very low	148 Å²	148	147.3 Å²	147.3	79%	0.791	76%	0.759	S	S	*	*				-165.3	103.5	121.5	-102.1	-51.9	0	0	0	113.2
676	N	29.1	Very low	30.8	Very low	122 Å²	122	148.6 Å²	148.6	65%	0.652	77%	0.765	S	S	*	*			trans	35	111.4	143	-54.1	-24.6	0	0	0	119.7
677	N	31.7	Very low	32.2	Very low	162 Å²	162	140.3 Å²	140.3	87%	0.866	74%	0.736	S	S	*	*				-169.5	82.2	111.5	-92.3	-31.7	0	0	0	110.7	L679	N677-L679 PolarHBondContact O-N 3.31Å
678	D	27.9	Very low	33.8	Very low	149 Å²	149	137.5 Å²	137.5	80%	0.797	73%	0.725	S	S	*	*			trans	-71.2	110.5	174.2	-76.5	-46.9	0	0	0	111.6
679	L	32.3	Very low	35.4	Very low	161 Å²	161	137.2 Å²	137.2	84%	0.843	72%	0.719	S	S	*	*			trans	-102.3	84	157.4	-74.6	177.6	0	0	0	108.9	N677 F681	N677-L679 PolarHBondContact O-N 3.31Å; L679-F681 PolarHBondContact O-N 2.97Å
680	N	26.7	Very low	37.1	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	72%	0.717	S	S	*	*			trans	-59.2	97.2	170.5	-93.9	-38	0	0	0	110.3	D682	N680-D682 VanDerWaalsContact C-N 3.32Å; N680-D682 PolarHBondContact O-N 3.3Å; N680-D682 VanDerWaalsContact O-N 3.1Å
681	F	30.5	Very low	38.8	Very low	143 Å²	143	131.5 Å²	131.5	63%	0.627	68%	0.682	S	S	*	*			trans	-75.1	92.8	159.9	-107.4	-88.9	0	0	0	107.9	L679 N736	L679-F681 PolarHBondContact O-N 2.97Å; F681-N736 HydrophobicContact CE1-CB 4.29Å; F681-N736 HydrophobicContact CZ-CB 4.11Å
682	D	29.8	Very low	41.3	Very low	129 Å²	129	126.4 Å²	126.4	69%	0.69	66%	0.656	S	S	*	*			trans	-56.6	151	-176.4	-158	-2.5	0	0	0	112	N680	N680-D682 VanDerWaalsContact C-N 3.32Å; N680-D682 PolarHBondContact O-N 3.3Å; N680-D682 VanDerWaalsContact O-N 3.1Å
683	N	29.3	Very low	43.7	Very low	131 Å²	131	122.4 Å²	122.4	70%	0.701	64%	0.637	S	S	*	*	S	Bend	trans	-66.3	165	-176.9	-68.5	-71.7	0	0	0	111.2
684	N	31.3	Very low	46.2	Very low	157 Å²	157	119.2 Å²	119.2	84%	0.84	62%	0.62	S	S	*	*			trans	86.9	38.1	-179.4	-43.6	-64.5	0	0	0	117.4
685	N	38.3	Very low	49	Very low	119 Å²	119	112.3 Å²	112.3	64%	0.636	58%	0.583	S	S	*	*			trans	-125.7	92.5	164.1	-82.4	-74.6	0	0	0	111.7	I687	N685-I687 PolarHBondContact O-N 3.49Å
686	E	49.4	Very low	51.8	Low	189 Å²	189	105.9 Å²	105.9	88%	0.883	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-68.1	116.8	168.3	-69.5	-177.9	134.3	0	0	110.1
687	I	57.8	Low	54.6	Low	58 Å²	58	104.7 Å²	104.7	30%	0.297	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-68.7	131.1	162.9	-64.9	174.9	0	0	0	106.2	N685 E689 L691 Y754	N685-I687 PolarHBondContact O-N 3.49Å; I687-E689 PolarHBondContact O-N 3.26Å; I687-L691 HydrophobicContact CG2-CB 4.1Å; I687-L691 HydrophobicContact CG2-CD2 3.61Å; I687-L691 HydrophobicContact CG2-CG 4.45Å; I687-Y754 HydrophobicContact CD1-CD2 3.83Å; I687-Y754 HydrophobicContact CD1-CE2 3.58Å
688	P	59.5	Low	57.4	Low	61 Å²	61	98.5 Å²	98.5	40%	0.396	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-51.5	131	-173.7	-28.1	34.6	0	0	0	112	L690 L691 M692 T732	P688-L690 PolarHBondContact O-N 3Å; P688-L690 VanDerWaalsContact O-N 3.15Å; P688-L691 HydrophobicContact CB-CB 4.3Å; P688-L691 WeakPolarHBondContact O-CA 3.43Å; P688-L691 WeakPolarHBondContact O-CB 3.49Å; P688-L691 PolarHBondContact O-N 3Å; P688-M692 PolarHBondContact O-N 3.3Å; P688-M692 VanDerWaalsContact O-N 3.13Å; P688-T732 HydrophobicContact CG-CG2 4.12Å
689	E	63.5	Low	60.4	Low	157 Å²	157	91.4 Å²	91.4	73%	0.734	47%	0.47	S	S	*	.	H	α-helix	trans	-55.1	-39	-170.1	-171.3	-179.3	-159.5	0	0	112.9	I687 L691 M692 N693	I687-E689 PolarHBondContact O-N 3.26Å; E689-L691 VanDerWaalsContact C-N 3.3Å; E689-L691 PolarHBondContact O-N 3.47Å; E689-M692 WeakPolarHBondContact O-CB 3.41Å; E689-M692 PolarHBondContact O-N 3.37Å; E689-N693 WeakPolarHBondContact O-CB 3.23Å; E689-N693 PolarHBondContact O-N 3.32Å; E689-N693 PolarHBondContact O-ND2 3.23Å
690	L	61.8	Low	63.1	Low	130 Å²	130	87.6 Å²	87.6	68%	0.681	45%	0.447	S	S	*	.	H	α-helix	trans	-61	-37.2	174.6	-158.8	161.2	0	0	0	112.3	P688 N693 N694	P688-L690 PolarHBondContact O-N 3Å; P688-L690 VanDerWaalsContact O-N 3.15Å; L690-N693 PolarHBondContact O-N 3.23Å; L690-N694 PolarHBondContact O-N 3.45Å
691	L	65.4	Low	66	Low	24 Å²	24	85.1 Å²	85.1	13%	0.126	43%	0.433	C	S	.	.	H	α-helix	trans	-65.5	-45.9	174.7	-149	87	0	0	0	110.8	I687 P688 E689 N694 S695 F729 T732	I687-L691 HydrophobicContact CG2-CB 4.1Å; I687-L691 HydrophobicContact CG2-CD2 3.61Å; I687-L691 HydrophobicContact CG2-CG 4.45Å; P688-L691 HydrophobicContact CB-CB 4.3Å; P688-L691 WeakPolarHBondContact O-CA 3.43Å; P688-L691 WeakPolarHBondContact O-CB 3.49Å; P688-L691 PolarHBondContact O-N 3Å; E689-L691 VanDerWaalsContact C-N 3.3Å; E689-L691 PolarHBondContact O-N 3.47Å; L691-N694 PolarHBondContact O-N 2.94Å; L691-S695 PolarHBondContact O-N 3.32Å; L691-S695 PolarHBondContact O-OG 3.13Å; L691-F729 HydrophobicContact CD1-CB 4.27Å; L691-F729 HydrophobicContact CD1-CD2 3.34Å; L691-F729 HydrophobicContact CD1-CE2 3.75Å; L691-F729 HydrophobicContact CD1-CG 3.92Å; L691-F729 HydrophobicContact CD2-CD2 4.29Å; L691-F729 HydrophobicContact CD2-CE2 4.15Å; L691-F729 HydrophobicContact CD2-CZ 4.24Å; L691-F729 HydrophobicContact CG-CD2 3.67Å; L691-F729 HydrophobicContact CG-CE2 3.51Å; L691-F729 HydrophobicContact CG-CG 4.34Å; L691-F729 HydrophobicContact CG-CZ 4.05Å; L691-T732 HydrophobicContact CD2-CG2 3.72Å
692	M	79.7	Confident	68.9	Low	36 Å²	36	78.7 Å²	78.7	18%	0.177	41%	0.406	C	S	.	.	H	α-helix	trans	-62.4	-41.9	177.1	-174.2	61.8	77.9	0	0	111.6	P688 E689 N694 S695 I696 Y754 V758	P688-M692 PolarHBondContact O-N 3.3Å; P688-M692 VanDerWaalsContact O-N 3.13Å; E689-M692 WeakPolarHBondContact O-CB 3.41Å; E689-M692 PolarHBondContact O-N 3.37Å; M692-N694 VanDerWaalsContact C-N 3.33Å; M692-N694 PolarHBondContact O-N 2.9Å; M692-S695 WeakPolarHBondContact O-CB 3.45Å; M692-S695 PolarHBondContact O-N 3.31Å; M692-I696 HydrophobicContact CG-CD1 3.78Å; M692-I696 HydrophobicContact CG-CG1 4.31Å; M692-I696 WeakPolarHBondContact O-CB 3.31Å; M692-I696 VanDerWaalsContact O-CG1 3.31Å; M692-I696 WeakPolarHBondContact O-CG1 3.45Å; M692-I696 PolarHBondContact O-N 3.15Å; M692-Y754 HydrophobicContact CE-CE2 4Å; M692-Y754 HydrophobicContact SD-CE2 4.41Å; M692-V758 HydrophobicContact SD-CG2 3.8Å
693	N	82.9	Confident	71.6	Confident	71 Å²	71	72.6 Å²	72.6	38%	0.38	37%	0.373	S	S	.	.	H	α-helix	trans	-61.9	-36.9	177.8	-78	-32.2	0	0	0	113	E689 L690 I696 N697	E689-N693 WeakPolarHBondContact O-CB 3.23Å; E689-N693 PolarHBondContact O-N 3.32Å; E689-N693 PolarHBondContact O-ND2 3.23Å; L690-N693 PolarHBondContact O-N 3.23Å; N693-I696 PolarHBondContact O-N 2.66Å; N693-N697 WeakPolarHBondContact O-CB 3.49Å; N693-N697 VanDerWaalsContact O-CG 3.23Å; N693-N697 PolarHBondContact O-N 3.04Å; N693-N697 PolarHBondContact O-ND2 3.2Å
694	N	84.1	Confident	74.2	Confident	66 Å²	66	69 Å²	69	35%	0.353	35%	0.354	S	S	.	.	H	α-helix	trans	-63.3	-45.5	173	-74.2	-20.1	0	0	0	111.8	L690 L691 M692 N697 F698 F725	L690-N694 PolarHBondContact O-N 3.45Å; L691-N694 PolarHBondContact O-N 2.94Å; M692-N694 VanDerWaalsContact C-N 3.33Å; M692-N694 PolarHBondContact O-N 2.9Å; N694-N697 PolarHBondContact O-N 3.47Å; N694-F698 PolarHBondContact O-N 3.16Å; N694-F725 HydrophobicContact CB-CE1 4.18Å
695	S	86.8	Confident	76.8	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-42.8	175.3	-53.7	0	0	0	0	112.5	L691 M692 N697 F698 V699 Y718 Y754	L691-S695 PolarHBondContact O-N 3.32Å; L691-S695 PolarHBondContact O-OG 3.13Å; M692-S695 WeakPolarHBondContact O-CB 3.45Å; M692-S695 PolarHBondContact O-N 3.31Å; S695-N697 PolarHBondContact O-N 2.79Å; S695-F698 PolarHBondContact O-N 3.25Å; S695-V699 WeakPolarHBondContact O-CG2 3.37Å; S695-V699 PolarHBondContact O-N 3.05Å; S695-Y718 PolarHBondContact OG-OH 2.82Å; S695-Y754 WeakPolarHBondContact CB-OH 3.5Å; S695-Y754 PolarHBondContact OG-OH 2.66Å
696	I	89.5	Confident	79.1	Confident	12 Å²	12	64 Å²	64	6%	0.062	33%	0.328	C	S	.	.	H	α-helix	trans	-58	-48.6	176.4	-76.6	169.2	0	0	0	110.6	M692 N693 K700 V758 T761 I762	M692-I696 HydrophobicContact CG-CD1 3.78Å; M692-I696 HydrophobicContact CG-CG1 4.31Å; M692-I696 WeakPolarHBondContact O-CB 3.31Å; M692-I696 VanDerWaalsContact O-CG1 3.31Å; M692-I696 WeakPolarHBondContact O-CG1 3.45Å; M692-I696 PolarHBondContact O-N 3.15Å; N693-I696 PolarHBondContact O-N 2.66Å; I696-K700 HydrophobicContact CG2-CD 3.96Å; I696-K700 VanDerWaalsContact O-CB 3.32Å; I696-K700 WeakPolarHBondContact O-CB 3.3Å; I696-K700 VanDerWaalsContact O-CG 3.29Å; I696-K700 WeakPolarHBondContact O-CG 3.13Å; I696-K700 PolarHBondContact O-N 2.82Å; I696-V758 HydrophobicContact CG1-CG1 4.16Å; I696-T761 HydrophobicContact CD1-CG2 3.62Å; I696-I762 HydrophobicContact CB-CG1 4.42Å; I696-I762 HydrophobicContact CG1-CG1 4.32Å; I696-I762 HydrophobicContact CG2-CG1 4.06Å
697	N	87.6	Confident	80.7	Confident	98 Å²	98	56.4 Å²	56.4	52%	0.524	30%	0.295	S	S	.	.	H	α-helix	trans	-66.3	-39.7	-179.4	-71.8	-25.9	0	0	0	112	N693 N694 S695 N701	N693-N697 WeakPolarHBondContact O-CB 3.49Å; N693-N697 VanDerWaalsContact O-CG 3.23Å; N693-N697 PolarHBondContact O-N 3.04Å; N693-N697 PolarHBondContact O-ND2 3.2Å; N694-N697 PolarHBondContact O-N 3.47Å; S695-N697 PolarHBondContact O-N 2.79Å; N697-N701 WeakPolarHBondContact O-CB 3.06Å; N697-N701 PolarHBondContact O-N 3.26Å
698	F	90.5	Very high	82.2	Confident	31 Å²	31	54.1 Å²	54.1	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-50.9	175.2	-179.2	-95.8	0	0	0	112.2	N694 S695 K700 N701 V702 I717 Y718 Q721	N694-F698 PolarHBondContact O-N 3.16Å; S695-F698 PolarHBondContact O-N 3.25Å; F698-K700 PolarHBondContact O-N 3.02Å; F698-N701 WeakPolarHBondContact O-CB 3.21Å; F698-N701 PolarHBondContact O-N 3.45Å; F698-N701 VanDerWaalsContact O-N 3.08Å; F698-V702 HydrophobicContact CD1-CG2 4.15Å; F698-V702 HydrophobicContact CE1-CG2 3.76Å; F698-V702 HydrophobicContact CE2-CG2 4.46Å; F698-V702 HydrophobicContact CZ-CG2 3.95Å; F698-V702 WeakPolarHBondContact O-CG2 3.47Å; F698-V702 PolarHBondContact O-N 2.92Å; F698-I717 HydrophobicContact CE1-CG2 4.04Å; F698-I717 HydrophobicContact CZ-CG2 3.72Å; F698-Y718 AromaticContact CD1-CD2 3.53Å; F698-Y718 HydrophobicContact CD1-CD2 3.53Å; F698-Y718 AromaticContact CD1-CE2 3.98Å; F698-Y718 HydrophobicContact CD1-CE2 3.98Å; F698-Y718 AromaticContact CE1-CD2 3.69Å; F698-Y718 HydrophobicContact CE1-CD2 3.69Å; F698-Y718 HydrophobicContact CE1-CG 4.39Å; F698-Q721 HydrophobicContact CD2-CG 3.99Å; F698-Q721 HydrophobicContact CE2-CB 3.81Å; F698-Q721 HydrophobicContact CE2-CG 3.47Å; F698-Q721 VanDerWaalsContact CE2-CG 3.47Å; F698-Q721 HydrophobicContact CZ-CB 3.73Å; F698-Q721 HydrophobicContact CZ-CG 3.96Å
699	V	91.4	Very high	83.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-35.9	-178.6	174.4	0	0	0	0	111.4	S695 N701 V702 L703 L714 Y718 L755 V758 L759 I762	S695-V699 WeakPolarHBondContact O-CG2 3.37Å; S695-V699 PolarHBondContact O-N 3.05Å; V699-N701 VanDerWaalsContact C-N 3.34Å; V699-N701 PolarHBondContact O-N 3.4Å; V699-V702 PolarHBondContact O-N 3Å; V699-L703 HydrophobicContact CG1-CD1 4.16Å; V699-L703 HydrophobicContact CG1-CG 4.48Å; V699-L703 WeakPolarHBondContact O-CG 3.29Å; V699-L703 PolarHBondContact O-N 2.62Å; V699-L714 HydrophobicContact CG1-CD1 4.22Å; V699-L714 HydrophobicContact CG1-CD2 3.93Å; V699-L714 HydrophobicContact CG2-CD1 4.24Å; V699-L714 HydrophobicContact CG2-CD2 4.36Å; V699-Y718 HydrophobicContact CG2-CD2 4.46Å; V699-L755 HydrophobicContact CG2-CD2 3.83Å; V699-V758 HydrophobicContact CB-CG1 4.06Å; V699-V758 HydrophobicContact CG2-CG1 3.87Å; V699-L759 HydrophobicContact CG1-CD2 3.62Å; V699-L759 HydrophobicContact CG1-CG 4.2Å; V699-I762 HydrophobicContact CB-CD1 3.52Å; V699-I762 HydrophobicContact CG1-CD1 3.44Å; V699-I762 VanDerWaalsContact CG1-CD1 3.44Å
700	K	88.6	Confident	85.2	Confident	82 Å²	82	44 Å²	44	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-57.9	-43.7	168.4	-79	175.3	177.9	174.5	0	112	I696 F698 L703 N704 I762	I696-K700 HydrophobicContact CG2-CD 3.96Å; I696-K700 VanDerWaalsContact O-CB 3.32Å; I696-K700 WeakPolarHBondContact O-CB 3.3Å; I696-K700 VanDerWaalsContact O-CG 3.29Å; I696-K700 WeakPolarHBondContact O-CG 3.13Å; I696-K700 PolarHBondContact O-N 2.82Å; F698-K700 PolarHBondContact O-N 3.02Å; K700-L703 PolarHBondContact O-N 3.16Å; K700-N704 WeakPolarHBondContact O-CB 3.42Å; K700-N704 VanDerWaalsContact O-CG 3.25Å; K700-N704 PolarHBondContact O-N 3.16Å; K700-N704 PolarHBondContact O-ND2 2.89Å; K700-I762 HydrophobicContact CD-CG1 4.47Å; K700-I762 HydrophobicContact CG-CD1 4.04Å; K700-I762 HydrophobicContact CG-CG1 3.94Å; K700-I762 HydrophobicContact CG-CG2 3.8Å
701	N	88.7	Confident	86.7	Confident	94 Å²	94	38.2 Å²	38.2	50%	0.503	20%	0.201	S	C	.	.	H	α-helix	trans	-66.5	-37.3	177.7	-171.2	49.6	0	0	0	112.7	N697 F698 V699 N704 T705	N697-N701 WeakPolarHBondContact O-CB 3.06Å; N697-N701 PolarHBondContact O-N 3.26Å; F698-N701 WeakPolarHBondContact O-CB 3.21Å; F698-N701 PolarHBondContact O-N 3.45Å; F698-N701 VanDerWaalsContact O-N 3.08Å; V699-N701 VanDerWaalsContact C-N 3.34Å; V699-N701 PolarHBondContact O-N 3.4Å; N701-N704 PolarHBondContact O-N 2.78Å; N701-T705 WeakPolarHBondContact O-CG2 3.07Å; N701-T705 PolarHBondContact O-N 2.92Å; N701-T705 PolarHBondContact O-OG1 3.27Å
702	V	90.5	Very high	87.9	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-46.4	173.7	178.1	0	0	0	0	110.8	F698 V699 N704 T705 Q706 V709 L714 I717	F698-V702 HydrophobicContact CD1-CG2 4.15Å; F698-V702 HydrophobicContact CE1-CG2 3.76Å; F698-V702 HydrophobicContact CE2-CG2 4.46Å; F698-V702 HydrophobicContact CZ-CG2 3.95Å; F698-V702 WeakPolarHBondContact O-CG2 3.47Å; F698-V702 PolarHBondContact O-N 2.92Å; V699-V702 PolarHBondContact O-N 3Å; V702-N704 VanDerWaalsContact C-N 3.31Å; V702-N704 PolarHBondContact O-N 3.17Å; V702-T705 PolarHBondContact O-N 2.73Å; V702-T705 VanDerWaalsContact O-N 3.15Å; V702-T705 PolarHBondContact O-OG1 2.75Å; V702-T705 VanDerWaalsContact O-OG1 3.13Å; V702-Q706 PolarHBondContact O-N 2.93Å; V702-V709 HydrophobicContact CG1-CG1 4.39Å; V702-V709 HydrophobicContact CG1-CG2 4.21Å; V702-L714 HydrophobicContact CB-CD1 4.08Å; V702-L714 HydrophobicContact CG1-CD1 3.77Å; V702-L714 HydrophobicContact CG2-CD1 4.44Å; V702-I717 HydrophobicContact CG1-CD1 4.3Å; V702-I717 HydrophobicContact CG2-CG2 3.91Å
703	L	88.1	Confident	88.5	Confident	1 Å²	1	38 Å²	38	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-26.1	177.1	-67.9	171.4	0	0	0	114	V699 K700 V709 L759 I762 A764 F784 I786	V699-L703 HydrophobicContact CG1-CD1 4.16Å; V699-L703 HydrophobicContact CG1-CG 4.48Å; V699-L703 WeakPolarHBondContact O-CG 3.29Å; V699-L703 PolarHBondContact O-N 2.62Å; K700-L703 PolarHBondContact O-N 3.16Å; L703-V709 HydrophobicContact CD2-CB 4.17Å; L703-V709 HydrophobicContact CD2-CG2 3.91Å; L703-L759 HydrophobicContact CD1-CD2 3.93Å; L703-I762 HydrophobicContact CD1-CG2 4.39Å; L703-A764 HydrophobicContact CD1-CB 3.94Å; L703-F784 HydrophobicContact CD2-CB 4.24Å; L703-I786 HydrophobicContact CB-CB 4.22Å
704	N	83.8	Confident	89	Confident	55 Å²	55	34.8 Å²	34.8	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-78.7	-18	173.3	-77.2	-27	0	0	0	113.6	K700 N701 V702 I786	K700-N704 WeakPolarHBondContact O-CB 3.42Å; K700-N704 VanDerWaalsContact O-CG 3.25Å; K700-N704 PolarHBondContact O-N 3.16Å; K700-N704 PolarHBondContact O-ND2 2.89Å; N701-N704 PolarHBondContact O-N 2.78Å; V702-N704 VanDerWaalsContact C-N 3.31Å; V702-N704 PolarHBondContact O-N 3.17Å; N704-I786 VanDerWaalsContact OD1-CD1 3.32Å; N704-I786 WeakPolarHBondContact OD1-CD1 3.39Å
705	T	84.5	Confident	89.4	Confident	96 Å²	96	31.7 Å²	31.7	59%	0.589	17%	0.173	S	C	*	.	H	α-helix	trans	-108.4	-25.7	-177.8	50.7	0	0	0	0	113	N701 V702	N701-T705 WeakPolarHBondContact O-CG2 3.07Å; N701-T705 PolarHBondContact O-N 2.92Å; N701-T705 PolarHBondContact O-OG1 3.27Å; V702-T705 PolarHBondContact O-N 2.73Å; V702-T705 VanDerWaalsContact O-N 3.15Å; V702-T705 PolarHBondContact O-OG1 2.75Å; V702-T705 VanDerWaalsContact O-OG1 3.13Å
706	Q	86.2	Confident	89.5	Confident	77 Å²	77	36.4 Å²	36.4	36%	0.36	19%	0.194	S	C	.	.	S	Bend	trans	-119.3	111.2	172.7	-62.9	-176.9	24.9	0	0	108.2	V702 I708 V709	V702-Q706 PolarHBondContact O-N 2.93Å; Q706-I708 VanDerWaalsContact C-N 3.26Å; Q706-I708 PolarHBondContact O-N 2.9Å; Q706-V709 HydrophobicContact CB-CG2 3.57Å; Q706-V709 WeakPolarHBondContact O-CG2 3.33Å
707	P	83.9	Confident	89.6	Confident	29 Å²	29	37.7 Å²	37.7	19%	0.188	20%	0.201	C	C	.	.	S	Bend	trans	-71	-19.2	-166.9	29.1	-37.9	0	0	0	113.9	V785 Q845 Y846	P707-V785 WeakPolarHBondContact O-CG1 3.04Å; P707-Q845 HydrophobicContact CG-CB 4.18Å; P707-Q845 WeakPolarHBondContact CG-O 3.4Å; P707-Y846 HydrophobicContact CB-CD1 4.16Å; P707-Y846 HydrophobicContact CB-CE1 3.65Å
708	I	89.8	Confident	89.7	Confident	9 Å²	9	33 Å²	33	5%	0.046	18%	0.176	C	C	.	.	S	Bend	trans	-137.6	132.8	170.5	-57.2	151.4	0	0	0	105.6	Q706 L783 F784 V785 Y846 L856 R857	Q706-I708 VanDerWaalsContact C-N 3.26Å; Q706-I708 PolarHBondContact O-N 2.9Å; I708-L783 HydrophobicContact CG2-CB 4.21Å; I708-L783 HydrophobicContact CG2-CD1 4.33Å; I708-F784 WeakPolarHBondContact CA-O 3.42Å; I708-V785 HydrophobicContact CG1-CG1 4.14Å; I708-Y846 HydrophobicContact CD1-CD1 3.93Å; I708-Y846 HydrophobicContact CD1-CG 4.47Å; I708-Y846 WeakPolarHBondContact CD1-O 3.38Å; I708-Y846 HydrophobicContact CG1-CD1 4.02Å; I708-L856 HydrophobicContact CD1-CD1 3.41Å; I708-L856 VanDerWaalsContact CD1-CD1 3.41Å; I708-L856 HydrophobicContact CD1-CG 3.98Å; I708-L856 HydrophobicContact CG1-CD1 4.43Å; I708-R857 HydrophobicContact CD1-CB 4.15Å
709	V	91.9	Very high	89.6	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.2	-179.7	-168.9	0	0	0	0	110.5	V702 L703 Q706 A713 L714 F784	V702-V709 HydrophobicContact CG1-CG1 4.39Å; V702-V709 HydrophobicContact CG1-CG2 4.21Å; L703-V709 HydrophobicContact CD2-CB 4.17Å; L703-V709 HydrophobicContact CD2-CG2 3.91Å; Q706-V709 HydrophobicContact CB-CG2 3.57Å; Q706-V709 WeakPolarHBondContact O-CG2 3.33Å; V709-A713 HydrophobicContact CG1-CB 4.42Å; V709-L714 HydrophobicContact CG1-CB 3.8Å; V709-L714 HydrophobicContact CG1-CD1 4.37Å; V709-F784 PolarHBondContact N-O 2.79Å; V709-F784 PolarHBondContact O-N 2.93Å
710	A	93.5	Very high	89.3	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	145.9	172.5	0	0	0	0	0	111.5	S712 A713 L714 E781 L783 C858	A710-S712 VanDerWaalsContact C-N 3.32Å; A710-S712 PolarHBondContact O-N 3.45Å; A710-A713 HydrophobicContact CB-CB 4.11Å; A710-A713 WeakPolarHBondContact O-CA 3.39Å; A710-A713 WeakPolarHBondContact O-CB 3.48Å; A710-A713 PolarHBondContact O-N 3.32Å; A710-L714 PolarHBondContact O-N 3.15Å; A710-E781 HydrophobicContact CB-CG 4.09Å; A710-L783 HydrophobicContact CB-CD2 3.51Å; A710-C858 HydrophobicContact CB-CB 4.23Å
711	L	93.3	Very high	89.1	Confident	10 Å²	10	38.7 Å²	38.7	5%	0.052	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-40.9	-178	-175	60.7	0	0	0	112.6	A713 L714 T715 K752 L756 L759 E781 P782 F784	L711-A713 VanDerWaalsContact C-N 3.32Å; L711-A713 PolarHBondContact O-N 3.31Å; L711-L714 PolarHBondContact O-N 2.86Å; L711-T715 VanDerWaalsContact O-CB 3.26Å; L711-T715 WeakPolarHBondContact O-CB 3.12Å; L711-T715 PolarHBondContact O-N 2.81Å; L711-T715 PolarHBondContact O-OG1 3.35Å; L711-K752 HydrophobicContact CD2-CB 4.19Å; L711-K752 HydrophobicContact CD2-CD 4.42Å; L711-K752 HydrophobicContact CD2-CG 4.23Å; L711-K752 HydrophobicContact CG-CB 4.45Å; L711-K752 HydrophobicContact CG-CG 4.18Å; L711-L756 HydrophobicContact CD1-CD2 4.19Å; L711-L756 HydrophobicContact CD1-CG 4.21Å; L711-L756 HydrophobicContact CD2-CD1 4.15Å; L711-L756 HydrophobicContact CD2-CD2 4.05Å; L711-L756 HydrophobicContact CD2-CG 4.1Å; L711-L759 HydrophobicContact CD1-CD1 4.28Å; L711-E781 PolarHBondContact N-OE2 2.84Å; L711-P782 HydrophobicContact CB-CB 4.29Å; L711-P782 HydrophobicContact CD2-CB 4.48Å; L711-P782 HydrophobicContact CD2-CG 4.24Å; L711-P782 PolarHBondContact N-O 2.83Å; L711-F784 HydrophobicContact CB-CE2 4.26Å; L711-F784 HydrophobicContact CD1-CE2 4.27Å
712	S	91.2	Very high	88.5	Confident	26 Å²	26	34.7 Å²	34.7	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-35.8	176	87.1	0	0	0	0	111.9	A710 K716 E781	A710-S712 VanDerWaalsContact C-N 3.32Å; A710-S712 PolarHBondContact O-N 3.45Å; S712-K716 VanDerWaalsContact O-CD 3.25Å; S712-K716 WeakPolarHBondContact O-CD 3.34Å; S712-K716 WeakPolarHBondContact O-CG 3.46Å; S712-K716 PolarHBondContact O-N 3.01Å; S712-K716 PolarHBondContact OG-NZ 3.43Å; S712-E781 WeakPolarHBondContact CA-OE2 3.41Å; S712-E781 WeakPolarHBondContact CB-OE1 3.42Å; S712-E781 WeakPolarHBondContact CB-OE2 3.42Å; S712-E781 PolarHBondContact N-OE2 3.18Å; S712-E781 PolarHBondContact OG-OE1 2.86Å; S712-E781 PolarHBondContact OG-OE2 3.02Å
713	A	91.5	Very high	87.4	Confident	30 Å²	30	37.8 Å²	37.8	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-69.9	-47.7	176.4	0	0	0	0	0	111.3	V709 A710 L711 T715 K716 I717	V709-A713 HydrophobicContact CG1-CB 4.42Å; A710-A713 HydrophobicContact CB-CB 4.11Å; A710-A713 WeakPolarHBondContact O-CA 3.39Å; A710-A713 WeakPolarHBondContact O-CB 3.48Å; A710-A713 PolarHBondContact O-N 3.32Å; L711-A713 VanDerWaalsContact C-N 3.32Å; L711-A713 PolarHBondContact O-N 3.31Å; A713-T715 VanDerWaalsContact C-N 3.27Å; A713-T715 PolarHBondContact O-N 3.23Å; A713-K716 PolarHBondContact O-N 3.21Å; A713-I717 WeakPolarHBondContact O-CB 3.35Å; A713-I717 WeakPolarHBondContact O-CD1 3.5Å; A713-I717 VanDerWaalsContact O-CG1 3.27Å; A713-I717 WeakPolarHBondContact O-CG1 3.24Å; A713-I717 PolarHBondContact O-N 3.33Å
714	L	93.6	Very high	86.4	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-43.2	174.4	-174.5	64.9	0	0	0	111	V699 V702 V709 A710 L711 I717 Y718 L755 L759	V699-L714 HydrophobicContact CG1-CD1 4.22Å; V699-L714 HydrophobicContact CG1-CD2 3.93Å; V699-L714 HydrophobicContact CG2-CD1 4.24Å; V699-L714 HydrophobicContact CG2-CD2 4.36Å; V702-L714 HydrophobicContact CB-CD1 4.08Å; V702-L714 HydrophobicContact CG1-CD1 3.77Å; V702-L714 HydrophobicContact CG2-CD1 4.44Å; V709-L714 HydrophobicContact CG1-CB 3.8Å; V709-L714 HydrophobicContact CG1-CD1 4.37Å; A710-L714 PolarHBondContact O-N 3.15Å; L711-L714 PolarHBondContact O-N 2.86Å; L714-I717 PolarHBondContact O-N 2.77Å; L714-Y718 VanDerWaalsContact O-CB 3.25Å; L714-Y718 WeakPolarHBondContact O-CB 3.43Å; L714-Y718 PolarHBondContact O-N 3.3Å; L714-L755 HydrophobicContact CD2-CB 4.46Å; L714-L755 HydrophobicContact CG-CD1 4.4Å; L714-L759 HydrophobicContact CD2-CD1 3.76Å; L714-L759 HydrophobicContact CD2-CD2 4.01Å; L714-L759 HydrophobicContact CD2-CG 4.02Å
715	T	91.7	Very high	85.5	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-42.7	178.9	-57.3	0	0	0	0	111.9	L711 A713 Y718 Q719 R748 L751 K752 L755	L711-T715 VanDerWaalsContact O-CB 3.26Å; L711-T715 WeakPolarHBondContact O-CB 3.12Å; L711-T715 PolarHBondContact O-N 2.81Å; L711-T715 PolarHBondContact O-OG1 3.35Å; A713-T715 VanDerWaalsContact C-N 3.27Å; A713-T715 PolarHBondContact O-N 3.23Å; T715-Y718 PolarHBondContact O-N 2.77Å; T715-Q719 VanDerWaalsContact O-CB 3.25Å; T715-Q719 WeakPolarHBondContact O-CB 3.42Å; T715-Q719 PolarHBondContact O-N 2.81Å; T715-R748 HydrophobicContact CG2-CB 3.69Å; T715-R748 HydrophobicContact CG2-CG 3.95Å; T715-R748 VanDerWaalsContact CG2-O 3.28Å; T715-R748 WeakPolarHBondContact CG2-O 3.31Å; T715-L751 HydrophobicContact CG2-CB 3.83Å; T715-K752 HydrophobicContact CG2-CG 4.28Å; T715-L755 HydrophobicContact CG2-CD1 4.42Å
716	K	90.1	Very high	84.2	Confident	100 Å²	100	43.6 Å²	43.6	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-63.4	-45.3	174.6	-71.2	157.2	-171.4	156.3	0	111.8	S712 A713 Y718 Q719 Q720	S712-K716 VanDerWaalsContact O-CD 3.25Å; S712-K716 WeakPolarHBondContact O-CD 3.34Å; S712-K716 WeakPolarHBondContact O-CG 3.46Å; S712-K716 PolarHBondContact O-N 3.01Å; S712-K716 PolarHBondContact OG-NZ 3.43Å; A713-K716 PolarHBondContact O-N 3.21Å; K716-Y718 VanDerWaalsContact C-N 3.34Å; K716-Y718 PolarHBondContact O-N 3.38Å; K716-Q719 PolarHBondContact O-N 3.07Å; K716-Q720 WeakPolarHBondContact O-CG 3.38Å; K716-Q720 PolarHBondContact O-N 3.45Å
717	I	91	Very high	83	Confident	39 Å²	39	43.8 Å²	43.8	20%	0.2	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-41	177.6	-69.7	162.7	0	0	0	111	F698 V702 A713 L714 Q721	F698-I717 HydrophobicContact CE1-CG2 4.04Å; F698-I717 HydrophobicContact CZ-CG2 3.72Å; V702-I717 HydrophobicContact CG1-CD1 4.3Å; V702-I717 HydrophobicContact CG2-CG2 3.91Å; A713-I717 WeakPolarHBondContact O-CB 3.35Å; A713-I717 WeakPolarHBondContact O-CD1 3.5Å; A713-I717 VanDerWaalsContact O-CG1 3.27Å; A713-I717 WeakPolarHBondContact O-CG1 3.24Å; A713-I717 PolarHBondContact O-N 3.33Å; L714-I717 PolarHBondContact O-N 2.77Å; I717-Q721 PolarHBondContact O-N 2.85Å
718	Y	89.8	Confident	81.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.4	-43.7	177.8	-165.9	-88.7	0	0	0	112.2	S695 F698 V699 L714 T715 K716 Q720 Q721 L722 F729 L751 Y754 L755	S695-Y718 PolarHBondContact OG-OH 2.82Å; F698-Y718 AromaticContact CD1-CD2 3.53Å; F698-Y718 HydrophobicContact CD1-CD2 3.53Å; F698-Y718 AromaticContact CD1-CE2 3.98Å; F698-Y718 HydrophobicContact CD1-CE2 3.98Å; F698-Y718 AromaticContact CE1-CD2 3.69Å; F698-Y718 HydrophobicContact CE1-CD2 3.69Å; F698-Y718 HydrophobicContact CE1-CG 4.39Å; V699-Y718 HydrophobicContact CG2-CD2 4.46Å; L714-Y718 VanDerWaalsContact O-CB 3.25Å; L714-Y718 WeakPolarHBondContact O-CB 3.43Å; L714-Y718 PolarHBondContact O-N 3.3Å; T715-Y718 PolarHBondContact O-N 2.77Å; K716-Y718 VanDerWaalsContact C-N 3.34Å; K716-Y718 PolarHBondContact O-N 3.38Å; Y718-Q720 VanDerWaalsContact C-N 3.3Å; Y718-Q720 PolarHBondContact O-N 3.04Å; Y718-Q721 CarbonylContact O-C 3.57Å; Y718-Q721 WeakPolarHBondContact O-CA 3.17Å; Y718-Q721 PolarHBondContact O-N 3.35Å; Y718-L722 HydrophobicContact CD1-CD1 4.25Å; Y718-L722 HydrophobicContact CD1-CD2 4.33Å; Y718-L722 HydrophobicContact CD1-CG 4.04Å; Y718-L722 HydrophobicContact CE1-CD1 4.27Å; Y718-L722 HydrophobicContact CE1-CD2 3.68Å; Y718-L722 HydrophobicContact CE1-CG 3.9Å; Y718-L722 PolarHBondContact O-N 2.68Å; Y718-F729 WeakPolarHBondContact OH-CZ 3.26Å; Y718-L751 HydrophobicContact CD1-CD1 4.44Å; Y718-L751 HydrophobicContact CD1-CD2 4.02Å; Y718-L751 HydrophobicContact CE1-CD2 4.05Å; Y718-Y754 HydrophobicContact CE1-CE1 4.48Å; Y718-L755 HydrophobicContact CD1-CD1 4.45Å; Y718-L755 HydrophobicContact CD1-CD2 4.3Å; Y718-L755 HydrophobicContact CD2-CD2 3.61Å; Y718-L755 HydrophobicContact CE2-CD2 4Å; Y718-L755 HydrophobicContact CG-CD1 4.1Å; Y718-L755 HydrophobicContact CG-CD2 3.79Å; Y718-L755 HydrophobicContact CG-CG 4.44Å
719	Q	88.6	Confident	80.8	Confident	22 Å²	22	46.9 Å²	46.9	10%	0.103	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-40.3	175.5	-179.7	176.2	48.6	0	0	112	T715 K716 Q721 L722 G743 S744 E747 R748 L751	T715-Q719 VanDerWaalsContact O-CB 3.25Å; T715-Q719 WeakPolarHBondContact O-CB 3.42Å; T715-Q719 PolarHBondContact O-N 2.81Å; K716-Q719 PolarHBondContact O-N 3.07Å; Q719-Q721 VanDerWaalsContact C-N 3.27Å; Q719-Q721 PolarHBondContact O-N 3.42Å; Q719-L722 PolarHBondContact O-N 3.41Å; Q719-G743 VanDerWaalsContact NE2-CA 3.3Å; Q719-G743 PolarHBondContact NE2-O 2.89Å; Q719-S744 PolarHBondContact NE2-O 3.24Å; Q719-E747 PolarHBondContact NE2-OE2 3.48Å; Q719-R748 VanDerWaalsContact OE1-CD 3.23Å; Q719-L751 HydrophobicContact CB-CD1 4.08Å
720	Q	85.8	Confident	79.5	Confident	138 Å²	138	49 Å²	49	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-62.8	-33.8	173.8	-72.7	169.1	-11.2	0	0	112.4	K716 Y718	K716-Q720 WeakPolarHBondContact O-CG 3.38Å; K716-Q720 PolarHBondContact O-N 3.45Å; Y718-Q720 VanDerWaalsContact C-N 3.3Å; Y718-Q720 PolarHBondContact O-N 3.04Å
721	Q	83.1	Confident	78.1	Confident	71 Å²	71	52.1 Å²	52.1	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-83.2	-13.5	178.7	-156.7	75.2	-38.2	0	0	113.8	F698 I717 Y718 Q719 G723 N724 F725	F698-Q721 HydrophobicContact CD2-CG 3.99Å; F698-Q721 HydrophobicContact CE2-CB 3.81Å; F698-Q721 HydrophobicContact CE2-CG 3.47Å; F698-Q721 VanDerWaalsContact CE2-CG 3.47Å; F698-Q721 HydrophobicContact CZ-CB 3.73Å; F698-Q721 HydrophobicContact CZ-CG 3.96Å; I717-Q721 PolarHBondContact O-N 2.85Å; Y718-Q721 CarbonylContact O-C 3.57Å; Y718-Q721 WeakPolarHBondContact O-CA 3.17Å; Y718-Q721 PolarHBondContact O-N 3.35Å; Q719-Q721 VanDerWaalsContact C-N 3.27Å; Q719-Q721 PolarHBondContact O-N 3.42Å; Q721-G723 PolarHBondContact O-N 2.98Å; Q721-N724 HydrophobicContact CG-CB 4.48Å; Q721-N724 WeakPolarHBondContact O-CB 3.39Å; Q721-N724 PolarHBondContact O-N 3.09Å; Q721-N724 PolarHBondContact OE1-ND2 2.8Å; Q721-F725 HydrophobicContact CG-CE2 4.33Å
722	L	77.4	Confident	76.8	Confident	10 Å²	10	53.1 Å²	53.1	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-31.5	-180	-83.8	173.9	0	0	0	113.6	Y718 Q719 N724 F725 F729 Y730 E747 L751	Y718-L722 HydrophobicContact CD1-CD1 4.25Å; Y718-L722 HydrophobicContact CD1-CD2 4.33Å; Y718-L722 HydrophobicContact CD1-CG 4.04Å; Y718-L722 HydrophobicContact CE1-CD1 4.27Å; Y718-L722 HydrophobicContact CE1-CD2 3.68Å; Y718-L722 HydrophobicContact CE1-CG 3.9Å; Y718-L722 PolarHBondContact O-N 2.68Å; Q719-L722 PolarHBondContact O-N 3.41Å; L722-N724 PolarHBondContact O-N 3.45Å; L722-F725 HydrophobicContact CD2-CD2 4.14Å; L722-F725 PolarHBondContact O-N 2.93Å; L722-F729 HydrophobicContact CD2-CD1 3.85Å; L722-F729 HydrophobicContact CD2-CE1 3.6Å; L722-Y730 HydrophobicContact CD1-CE2 4.43Å; L722-E747 WeakPolarHBondContact CD1-OE1 3.5Å; L722-L751 HydrophobicContact CD1-CD1 3.6Å; L722-L751 HydrophobicContact CD1-CD2 3.89Å; L722-L751 HydrophobicContact CD1-CG 4.33Å
723	G	66.6	Low	75.7	Confident	73 Å²	73	53.1 Å²	53.1	75%	0.753	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.6	173	0	0	0	0	0	115.1	Q721	Q721-G723 PolarHBondContact O-N 2.98Å
724	N	67.3	Low	74.8	Confident	122 Å²	122	53.2 Å²	53.2	65%	0.652	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-1.8	176.7	-68	-41.2	0	0	0	113.2	Q721 L722	Q721-N724 HydrophobicContact CG-CB 4.48Å; Q721-N724 WeakPolarHBondContact O-CB 3.39Å; Q721-N724 PolarHBondContact O-N 3.09Å; Q721-N724 PolarHBondContact OE1-ND2 2.8Å; L722-N724 PolarHBondContact O-N 3.45Å
725	F	65	Low	73.1	Confident	49 Å²	49	59 Å²	59	22%	0.215	32%	0.324	C	S	.	.	S	Bend	trans	-95.7	155.8	167.7	-61	-68	0	0	0	110.4	N694 Q721 L722 F729	N694-F725 HydrophobicContact CB-CE1 4.18Å; Q721-F725 HydrophobicContact CG-CE2 4.33Å; L722-F725 HydrophobicContact CD2-CD2 4.14Å; L722-F725 PolarHBondContact O-N 2.93Å; F725-F729 HydrophobicContact CB-CB 3.71Å; F725-F729 HydrophobicContact CB-CD1 4.25Å; F725-F729 HydrophobicContact CB-CD2 3.67Å; F725-F729 HydrophobicContact CB-CE2 4.41Å; F725-F729 HydrophobicContact CB-CG 3.62Å; F725-F729 HydrophobicContact CD1-CD2 4.05Å; F725-F729 HydrophobicContact CD1-CE2 4.17Å; F725-F729 HydrophobicContact CD2-CD1 4.5Å; F725-F729 HydrophobicContact CD2-CD2 4.27Å; F725-F729 HydrophobicContact CD2-CE1 4.44Å; F725-F729 HydrophobicContact CD2-CE2 4.19Å; F725-F729 HydrophobicContact CD2-CG 4.47Å; F725-F729 HydrophobicContact CD2-CZ 4.32Å; F725-F729 AromaticContact CG-CD2 3.75Å; F725-F729 HydrophobicContact CG-CD2 3.75Å; F725-F729 HydrophobicContact CG-CE2 4.01Å; F725-F729 HydrophobicContact CG-CG 4.1Å
726	D	57.7	Low	71.1	Confident	103 Å²	103	63.4 Å²	63.4	55%	0.551	35%	0.347	S	S	*	.			trans	-50.7	146.4	177	-179	-4.7	0	0	0	111.6	N728 F729	D726-N728 VanDerWaalsContact CG-ND2 3.29Å; D726-N728 PolarHBondContact O-N 2.89Å; D726-N728 VanDerWaalsContact O-N 3.11Å; D726-N728 PolarHBondContact OD1-N 3.21Å; D726-N728 PolarHBondContact OD1-ND2 2.91Å; D726-N728 WeakPolarHBondContact OD2-CB 3.48Å; D726-N728 PolarHBondContact OD2-ND2 2.9Å; D726-F729 WeakPolarHBondContact O-CA 3.27Å; D726-F729 WeakPolarHBondContact O-CB 3.46Å; D726-F729 PolarHBondContact O-N 3.2Å
727	A	61.1	Low	69.6	Low	80 Å²	80	63.3 Å²	63.3	66%	0.661	36%	0.359	S	S	*	.	H	α-helix	trans	-54.5	-29.2	171.7	0	0	0	0	0	112.5	F729 Y730 S731	A727-F729 PolarHBondContact O-N 3.01Å; A727-Y730 PolarHBondContact O-N 3.02Å; A727-S731 PolarHBondContact O-N 2.78Å; A727-S731 VanDerWaalsContact O-N 3.16Å; A727-S731 PolarHBondContact O-OG 3.43Å
728	N	61	Low	68.3	Low	95 Å²	95	67.2 Å²	67.2	51%	0.508	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-24.9	171.3	-63	-59.1	0	0	0	113.5	D726 S731 T732	D726-N728 VanDerWaalsContact CG-ND2 3.29Å; D726-N728 PolarHBondContact O-N 2.89Å; D726-N728 VanDerWaalsContact O-N 3.11Å; D726-N728 PolarHBondContact OD1-N 3.21Å; D726-N728 PolarHBondContact OD1-ND2 2.91Å; D726-N728 WeakPolarHBondContact OD2-CB 3.48Å; D726-N728 PolarHBondContact OD2-ND2 2.9Å; N728-S731 WeakPolarHBondContact CA-OG 3.41Å; N728-S731 PolarHBondContact O-OG 3.07Å; N728-T732 WeakPolarHBondContact O-CB 3.46Å; N728-T732 PolarHBondContact O-N 2.94Å; N728-T732 PolarHBondContact O-OG1 3.45Å
729	F	65.2	Low	67.3	Low	8 Å²	8	71 Å²	71	4%	0.035	41%	0.412	C	S	.	.	H	α-helix	trans	-66.4	-52	172.2	-169.1	-69.6	0	0	0	110.2	L691 Y718 L722 F725 D726 A727 S731 T732 L733	L691-F729 HydrophobicContact CD1-CB 4.27Å; L691-F729 HydrophobicContact CD1-CD2 3.34Å; L691-F729 HydrophobicContact CD1-CE2 3.75Å; L691-F729 HydrophobicContact CD1-CG 3.92Å; L691-F729 HydrophobicContact CD2-CD2 4.29Å; L691-F729 HydrophobicContact CD2-CE2 4.15Å; L691-F729 HydrophobicContact CD2-CZ 4.24Å; L691-F729 HydrophobicContact CG-CD2 3.67Å; L691-F729 HydrophobicContact CG-CE2 3.51Å; L691-F729 HydrophobicContact CG-CG 4.34Å; L691-F729 HydrophobicContact CG-CZ 4.05Å; Y718-F729 WeakPolarHBondContact OH-CZ 3.26Å; L722-F729 HydrophobicContact CD2-CD1 3.85Å; L722-F729 HydrophobicContact CD2-CE1 3.6Å; F725-F729 HydrophobicContact CB-CB 3.71Å; F725-F729 HydrophobicContact CB-CD1 4.25Å; F725-F729 HydrophobicContact CB-CD2 3.67Å; F725-F729 HydrophobicContact CB-CE2 4.41Å; F725-F729 HydrophobicContact CB-CG 3.62Å; F725-F729 HydrophobicContact CD1-CD2 4.05Å; F725-F729 HydrophobicContact CD1-CE2 4.17Å; F725-F729 HydrophobicContact CD2-CD1 4.5Å; F725-F729 HydrophobicContact CD2-CD2 4.27Å; F725-F729 HydrophobicContact CD2-CE1 4.44Å; F725-F729 HydrophobicContact CD2-CE2 4.19Å; F725-F729 HydrophobicContact CD2-CG 4.47Å; F725-F729 HydrophobicContact CD2-CZ 4.32Å; F725-F729 AromaticContact CG-CD2 3.75Å; F725-F729 HydrophobicContact CG-CD2 3.75Å; F725-F729 HydrophobicContact CG-CE2 4.01Å; F725-F729 HydrophobicContact CG-CG 4.1Å; D726-F729 WeakPolarHBondContact O-CA 3.27Å; D726-F729 WeakPolarHBondContact O-CB 3.46Å; D726-F729 PolarHBondContact O-N 3.2Å; A727-F729 PolarHBondContact O-N 3.01Å; F729-S731 PolarHBondContact O-N 2.79Å; F729-T732 PolarHBondContact O-N 2.95Å; F729-T732 VanDerWaalsContact O-N 3.12Å; F729-L733 HydrophobicContact CE1-CD1 3.97Å; F729-L733 HydrophobicContact CE1-CD2 4.44Å; F729-L733 PolarHBondContact O-N 2.94Å
730	Y	65.9	Low	66.6	Low	46 Å²	46	70.5 Å²	70.5	18%	0.18	41%	0.41	C	S	.	.	H	α-helix	trans	-63.3	-41.7	-176.1	-156.5	-91.8	0	0	0	111.4	L722 A727 L733 W734 P739 P740 P742 E747	L722-Y730 HydrophobicContact CD1-CE2 4.43Å; A727-Y730 PolarHBondContact O-N 3.02Å; Y730-L733 PolarHBondContact O-N 3.43Å; Y730-W734 AromaticContact CD1-CD1 3.48Å; Y730-W734 VanDerWaalsContact CD1-CD1 3.48Å; Y730-W734 AromaticContact CD1-NE1 3.77Å; Y730-W734 AromaticContact CD2-NE1 3.98Å; Y730-W734 AromaticContact CE1-CD1 3.34Å; Y730-W734 AromaticContact CE1-NE1 3.39Å; Y730-W734 AromaticContact CE2-NE1 3.62Å; Y730-W734 AromaticContact CZ-CD1 3.8Å; Y730-W734 AromaticContact CZ-NE1 3.29Å; Y730-W734 VanDerWaalsContact CZ-NE1 3.29Å; Y730-W734 PolarHBondContact O-N 3.24Å; Y730-P739 HydrophobicContact CE1-CB 4.22Å; Y730-P740 PolarHBondContact OH-O 3.1Å; Y730-P742 HydrophobicContact CE1-CG 4.38Å; Y730-E747 WeakPolarHBondContact CE2-OE1 3.31Å; Y730-E747 PolarHBondContact OH-OE1 3.02Å
731	S	62.7	Low	66	Low	69 Å²	69	67.8 Å²	67.8	48%	0.483	41%	0.405	S	S	.	.	H	α-helix	trans	-70.3	-30.2	173.7	63.6	0	0	0	0	113.6	A727 N728 F729	A727-S731 PolarHBondContact O-N 2.78Å; A727-S731 VanDerWaalsContact O-N 3.16Å; A727-S731 PolarHBondContact O-OG 3.43Å; N728-S731 WeakPolarHBondContact CA-OG 3.41Å; N728-S731 PolarHBondContact O-OG 3.07Å; F729-S731 PolarHBondContact O-N 2.79Å
732	T	66.4	Low	65.6	Low	32 Å²	32	69.5 Å²	69.5	20%	0.196	42%	0.422	C	S	.	.	H	α-helix	trans	-73.2	-31.8	175.8	-67	0	0	0	0	112.8	P688 L691 N728 F729 K735	P688-T732 HydrophobicContact CG-CG2 4.12Å; L691-T732 HydrophobicContact CD2-CG2 3.72Å; N728-T732 WeakPolarHBondContact O-CB 3.46Å; N728-T732 PolarHBondContact O-N 2.94Å; N728-T732 PolarHBondContact O-OG1 3.45Å; F729-T732 PolarHBondContact O-N 2.95Å; F729-T732 VanDerWaalsContact O-N 3.12Å; T732-K735 WeakPolarHBondContact O-CD 3.41Å; T732-K735 WeakPolarHBondContact O-CG 3.46Å
733	L	68.6	Low	65.6	Low	26 Å²	26	71.4 Å²	71.4	14%	0.136	44%	0.444	C	S	.	.	H	α-helix	trans	-72	-39.4	176.7	-145.2	78.1	0	0	0	111.7	F729 Y730 L751 Y754	F729-L733 HydrophobicContact CE1-CD1 3.97Å; F729-L733 HydrophobicContact CE1-CD2 4.44Å; F729-L733 PolarHBondContact O-N 2.94Å; Y730-L733 PolarHBondContact O-N 3.43Å; L733-L751 HydrophobicContact CD2-CD2 3.62Å; L733-Y754 HydrophobicContact CD1-CD1 4.25Å; L733-Y754 HydrophobicContact CD1-CD2 4.28Å; L733-Y754 HydrophobicContact CD1-CE1 4.09Å; L733-Y754 HydrophobicContact CD1-CE2 4.13Å; L733-Y754 HydrophobicContact CD1-CG 4.34Å
734	W	72.4	Confident	66.3	Low	31 Å²	31	69.2 Å²	69.2	12%	0.117	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	40.2	-174.5	-51	131.2	0	0	0	113.8	Y730 N736 P739 P740 E747 L750 L751	Y730-W734 AromaticContact CD1-CD1 3.48Å; Y730-W734 VanDerWaalsContact CD1-CD1 3.48Å; Y730-W734 AromaticContact CD1-NE1 3.77Å; Y730-W734 AromaticContact CD2-NE1 3.98Å; Y730-W734 AromaticContact CE1-CD1 3.34Å; Y730-W734 AromaticContact CE1-NE1 3.39Å; Y730-W734 AromaticContact CE2-NE1 3.62Å; Y730-W734 AromaticContact CZ-CD1 3.8Å; Y730-W734 AromaticContact CZ-NE1 3.29Å; Y730-W734 VanDerWaalsContact CZ-NE1 3.29Å; Y730-W734 PolarHBondContact O-N 3.24Å; W734-N736 PolarHBondContact O-N 2.8Å; W734-P739 HydrophobicContact CB-CB 3.81Å; W734-P739 HydrophobicContact CG-CB 3.97Å; W734-P740 HydrophobicContact CD2-CG 3.99Å; W734-P740 HydrophobicContact CE3-CG 4.47Å; W734-P740 HydrophobicContact CG-CG 4.5Å; W734-P740 HydrophobicContact CH2-CG 4.24Å; W734-P740 HydrophobicContact CZ2-CG 3.71Å; W734-E747 HydrophobicContact CZ2-CG 3.82Å; W734-L750 HydrophobicContact CE3-CD1 4.4Å; W734-L750 HydrophobicContact CH2-CB 3.53Å; W734-L750 HydrophobicContact CH2-CD1 4.34Å; W734-L750 HydrophobicContact CZ3-CB 3.52Å; W734-L750 HydrophobicContact CZ3-CD1 3.98Å; W734-L750 HydrophobicContact CZ3-CG 4.32Å; W734-L751 HydrophobicContact CH2-CD2 4.04Å; W734-L751 HydrophobicContact CH2-CG 4.03Å; W734-L751 HydrophobicContact CZ2-CD2 4.14Å; W734-L751 HydrophobicContact CZ2-CG 4.17Å
735	K	57.8	Low	66.9	Low	125 Å²	125	69.8 Å²	69.8	54%	0.543	42%	0.416	S	S	.	.			trans	-60.1	-25.5	-175.4	-83.9	172.6	175.3	174.9	0	115.6	T732	T732-K735 WeakPolarHBondContact O-CD 3.41Å; T732-K735 WeakPolarHBondContact O-CG 3.46Å
736	N	48.7	Very low	67.6	Low	93 Å²	93	70.4 Å²	70.4	50%	0.497	43%	0.426	S	S	.	.	S	Bend	trans	-122	139.3	-179.9	-64.8	-6.4	0	0	0	109.2	F681 W734	F681-N736 HydrophobicContact CE1-CB 4.29Å; F681-N736 HydrophobicContact CZ-CB 4.11Å; W734-N736 PolarHBondContact O-N 2.8Å
737	S	58.8	Low	68.9	Low	98 Å²	98	65.6 Å²	65.6	69%	0.685	40%	0.4	S	S	*	.	S	Bend	trans	71.4	156.8	-172.1	-47.8	0	0	0	0	113.4
738	P	65.3	Low	70	Confident	120 Å²	120	64.4 Å²	64.4	78%	0.779	38%	0.379	S	S	*	.	S	Bend	trans	-59.6	136.3	173.1	24.7	-34.4	0	0	0	110.3
739	P	68.4	Low	71.1	Confident	80 Å²	80	64 Å²	64	52%	0.519	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-62.9	141.7	-175.7	25.4	-34.5	0	0	0	111	Y730 W734	Y730-P739 HydrophobicContact CE1-CB 4.22Å; W734-P739 HydrophobicContact CB-CB 3.81Å; W734-P739 HydrophobicContact CG-CB 3.97Å
740	P	73.9	Confident	72	Confident	11 Å²	11	67.8 Å²	67.8	7%	0.071	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-62.8	146.8	176.3	29.8	-37	0	0	0	110.2	Y730 W734 E747 L750	Y730-P740 PolarHBondContact OH-O 3.1Å; W734-P740 HydrophobicContact CD2-CG 3.99Å; W734-P740 HydrophobicContact CE3-CG 4.47Å; W734-P740 HydrophobicContact CG-CG 4.5Å; W734-P740 HydrophobicContact CH2-CG 4.24Å; W734-P740 HydrophobicContact CZ2-CG 3.71Å; P740-E747 HydrophobicContact CB-CB 3.84Å; P740-E747 HydrophobicContact CB-CG 4.45Å; P740-E747 HydrophobicContact CG-CB 3.84Å; P740-E747 HydrophobicContact CG-CG 3.91Å; P740-L750 HydrophobicContact CB-CD1 4.24Å; P740-L750 HydrophobicContact CG-CD1 3.96Å
741	P	71.9	Confident	73.1	Confident	82 Å²	82	65.6 Å²	65.6	53%	0.532	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.3	132	178.7	-20.7	31.4	0	0	0	110.6	G743 S744	P741-G743 PolarHBondContact O-N 3.13Å; P741-S744 WeakPolarHBondContact O-CB 3.48Å; P741-S744 PolarHBondContact O-N 2.81Å; P741-S744 PolarHBondContact O-OG 2.89Å
742	P	75	Confident	74.4	Confident	107 Å²	107	65 Å²	65	70%	0.695	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	134.9	179.5	-25.8	33.5	0	0	0	112.7	Y730 S744 E747	Y730-P742 HydrophobicContact CE1-CG 4.38Å; P742-S744 VanDerWaalsContact C-N 3.26Å; P742-S744 PolarHBondContact O-N 3.44Å; P742-E747 WeakPolarHBondContact CA-OE2 3.32Å
743	G	77.3	Confident	75.3	Confident	49 Å²	49	67.6 Å²	67.6	51%	0.505	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-5	-175.5	0	0	0	0	0	115.1	Q719 P741 E747 R748	Q719-G743 VanDerWaalsContact NE2-CA 3.3Å; Q719-G743 PolarHBondContact NE2-O 2.89Å; P741-G743 PolarHBondContact O-N 3.13Å; G743-E747 PolarHBondContact N-OE2 2.87Å; G743-R748 PolarHBondContact O-NH1 3.23Å
744	S	81.8	Confident	76.3	Confident	27 Å²	27	67.1 Å²	67.1	19%	0.189	39%	0.387	C	S	.	.			trans	-71.6	169.5	-176.7	69	0	0	0	0	113.9	Q719 P741 P742 S746 E747 R748	Q719-S744 PolarHBondContact NE2-O 3.24Å; P741-S744 WeakPolarHBondContact O-CB 3.48Å; P741-S744 PolarHBondContact O-N 2.81Å; P741-S744 PolarHBondContact O-OG 2.89Å; P742-S744 VanDerWaalsContact C-N 3.26Å; P742-S744 PolarHBondContact O-N 3.44Å; S744-S746 PolarHBondContact OG-OG 3.47Å; S744-E747 WeakPolarHBondContact OG-CB 3.37Å; S744-E747 PolarHBondContact OG-N 3.48Å; S744-E747 VanDerWaalsContact OG-N 3.13Å; S744-R748 PolarHBondContact O-N 2.84Å; S744-R748 PolarHBondContact O-NH1 3.43Å
745	E	80.3	Confident	77.2	Confident	134 Å²	134	65.7 Å²	65.7	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-74.5	-37.4	172.6	-170.3	153.6	-126.9	0	0	112.5	E747 R748 E749	E745-E747 VanDerWaalsContact C-N 3.3Å; E745-E747 PolarHBondContact O-N 3.03Å; E745-R748 WeakPolarHBondContact O-CA 3.38Å; E745-R748 WeakPolarHBondContact O-CB 3.34Å; E745-R748 PolarHBondContact O-N 3Å; E745-E749 PolarHBondContact O-N 2.86Å
746	S	80	Confident	78.8	Confident	62 Å²	62	63 Å²	63	43%	0.434	37%	0.373	S	S	.	.	H	α-helix	trans	-65.6	-31.7	175.2	49.7	0	0	0	0	112.8	S744 L750	S744-S746 PolarHBondContact OG-OG 3.47Å; S746-L750 WeakPolarHBondContact O-CG 3.26Å; S746-L750 PolarHBondContact O-N 3.02Å
747	E	83.6	Confident	80.8	Confident	3 Å²	3	64.9 Å²	64.9	1%	0.014	38%	0.376	C	S	.	.	H	α-helix	trans	-61.4	-45.1	168.2	-168.5	-167.4	-178.8	0	0	110.9	Q719 L722 Y730 W734 P740 P742 G743 S744 E745 L750 L751	Q719-E747 PolarHBondContact NE2-OE2 3.48Å; L722-E747 WeakPolarHBondContact CD1-OE1 3.5Å; Y730-E747 WeakPolarHBondContact CE2-OE1 3.31Å; Y730-E747 PolarHBondContact OH-OE1 3.02Å; W734-E747 HydrophobicContact CZ2-CG 3.82Å; P740-E747 HydrophobicContact CB-CB 3.84Å; P740-E747 HydrophobicContact CB-CG 4.45Å; P740-E747 HydrophobicContact CG-CB 3.84Å; P740-E747 HydrophobicContact CG-CG 3.91Å; P742-E747 WeakPolarHBondContact CA-OE2 3.32Å; G743-E747 PolarHBondContact N-OE2 2.87Å; S744-E747 WeakPolarHBondContact OG-CB 3.37Å; S744-E747 PolarHBondContact OG-N 3.48Å; S744-E747 VanDerWaalsContact OG-N 3.13Å; E745-E747 VanDerWaalsContact C-N 3.3Å; E745-E747 PolarHBondContact O-N 3.03Å; E747-L750 PolarHBondContact O-N 3.26Å; E747-L751 HydrophobicContact CG-CD1 3.89Å; E747-L751 HydrophobicContact CG-CG 4.37Å; E747-L751 WeakPolarHBondContact O-CB 3.2Å; E747-L751 WeakPolarHBondContact O-CG 3.32Å; E747-L751 PolarHBondContact O-N 3.03Å
748	R	85.4	Confident	82.3	Confident	54 Å²	54	60.2 Å²	60.2	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-47	177.4	-69.5	-172	-75.4	-81.6	-0.5	112.1	T715 Q719 G743 S744 E745 L750 L751 K752	T715-R748 HydrophobicContact CG2-CB 3.69Å; T715-R748 HydrophobicContact CG2-CG 3.95Å; T715-R748 VanDerWaalsContact CG2-O 3.28Å; T715-R748 WeakPolarHBondContact CG2-O 3.31Å; Q719-R748 VanDerWaalsContact OE1-CD 3.23Å; G743-R748 PolarHBondContact O-NH1 3.23Å; S744-R748 PolarHBondContact O-N 2.84Å; S744-R748 PolarHBondContact O-NH1 3.43Å; E745-R748 WeakPolarHBondContact O-CA 3.38Å; E745-R748 WeakPolarHBondContact O-CB 3.34Å; E745-R748 PolarHBondContact O-N 3Å; R748-L750 VanDerWaalsContact C-N 3.32Å; R748-L750 PolarHBondContact O-N 2.76Å; R748-L751 PolarHBondContact O-N 2.92Å; R748-L751 VanDerWaalsContact O-N 3.13Å; R748-K752 WeakPolarHBondContact O-CG 3.31Å; R748-K752 PolarHBondContact O-N 3.02Å
749	E	84.4	Confident	83.6	Confident	88 Å²	88	54.6 Å²	54.6	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-40.3	-179.5	-63.3	-46.5	116.2	0	0	112.5	E745 K752	E745-E749 PolarHBondContact O-N 2.86Å; E749-K752 PolarHBondContact O-N 3.37Å; E749-K752 WeakPolarHBondContact OE1-CE 3.25Å; E749-K752 IonicContact OE1-NZ 3.52Å; E749-K752 PolarHBondContact OE1-NZ 2.85Å; E749-K752 WeakPolarHBondContact OE2-CE 3.18Å; E749-K752 IonicContact OE2-NZ 3.1Å; E749-K752 PolarHBondContact OE2-NZ 3.14Å
750	L	83	Confident	84.6	Confident	87 Å²	87	58.1 Å²	58.1	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-68.6	-38	174.2	-68.2	168.1	0	0	0	112.3	W734 P740 S746 E747 R748 K752 T753 Y754	W734-L750 HydrophobicContact CE3-CD1 4.4Å; W734-L750 HydrophobicContact CH2-CB 3.53Å; W734-L750 HydrophobicContact CH2-CD1 4.34Å; W734-L750 HydrophobicContact CZ3-CB 3.52Å; W734-L750 HydrophobicContact CZ3-CD1 3.98Å; W734-L750 HydrophobicContact CZ3-CG 4.32Å; P740-L750 HydrophobicContact CB-CD1 4.24Å; P740-L750 HydrophobicContact CG-CD1 3.96Å; S746-L750 WeakPolarHBondContact O-CG 3.26Å; S746-L750 PolarHBondContact O-N 3.02Å; E747-L750 PolarHBondContact O-N 3.26Å; R748-L750 VanDerWaalsContact C-N 3.32Å; R748-L750 PolarHBondContact O-N 2.76Å; L750-K752 PolarHBondContact O-N 3.34Å; L750-T753 PolarHBondContact O-N 3.1Å; L750-Y754 PolarHBondContact O-N 2.93Å
751	L	88.4	Confident	85.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.3	-32	176.8	-75	171	0	0	0	113.3	T715 Y718 Q719 L722 L733 W734 E747 R748 T753 Y754 L755	T715-L751 HydrophobicContact CG2-CB 3.83Å; Y718-L751 HydrophobicContact CD1-CD1 4.44Å; Y718-L751 HydrophobicContact CD1-CD2 4.02Å; Y718-L751 HydrophobicContact CE1-CD2 4.05Å; Q719-L751 HydrophobicContact CB-CD1 4.08Å; L722-L751 HydrophobicContact CD1-CD1 3.6Å; L722-L751 HydrophobicContact CD1-CD2 3.89Å; L722-L751 HydrophobicContact CD1-CG 4.33Å; L733-L751 HydrophobicContact CD2-CD2 3.62Å; W734-L751 HydrophobicContact CH2-CD2 4.04Å; W734-L751 HydrophobicContact CH2-CG 4.03Å; W734-L751 HydrophobicContact CZ2-CD2 4.14Å; W734-L751 HydrophobicContact CZ2-CG 4.17Å; E747-L751 HydrophobicContact CG-CD1 3.89Å; E747-L751 HydrophobicContact CG-CG 4.37Å; E747-L751 WeakPolarHBondContact O-CB 3.2Å; E747-L751 WeakPolarHBondContact O-CG 3.32Å; E747-L751 PolarHBondContact O-N 3.03Å; R748-L751 PolarHBondContact O-N 2.92Å; R748-L751 VanDerWaalsContact O-N 3.13Å; L751-T753 VanDerWaalsContact C-N 3.29Å; L751-T753 PolarHBondContact O-N 3.39Å; L751-Y754 PolarHBondContact O-N 3.38Å; L751-L755 HydrophobicContact CB-CD1 4.42Å; L751-L755 WeakPolarHBondContact O-CB 3.23Å; L751-L755 VanDerWaalsContact O-CG 3.29Å; L751-L755 WeakPolarHBondContact O-CG 3.42Å; L751-L755 PolarHBondContact O-N 3.23Å
752	K	90.2	Very high	86.1	Confident	55 Å²	55	58.7 Å²	58.7	24%	0.239	32%	0.317	C	S	.	.	H	α-helix	trans	-52.9	-48.9	173.4	-71.1	177.7	-172.4	170.8	0	110.9	L711 T715 R748 E749 L750 Y754 L755 L756	L711-K752 HydrophobicContact CD2-CB 4.19Å; L711-K752 HydrophobicContact CD2-CD 4.42Å; L711-K752 HydrophobicContact CD2-CG 4.23Å; L711-K752 HydrophobicContact CG-CB 4.45Å; L711-K752 HydrophobicContact CG-CG 4.18Å; T715-K752 HydrophobicContact CG2-CG 4.28Å; R748-K752 WeakPolarHBondContact O-CG 3.31Å; R748-K752 PolarHBondContact O-N 3.02Å; E749-K752 PolarHBondContact O-N 3.37Å; E749-K752 WeakPolarHBondContact OE1-CE 3.25Å; E749-K752 IonicContact OE1-NZ 3.52Å; E749-K752 PolarHBondContact OE1-NZ 2.85Å; E749-K752 WeakPolarHBondContact OE2-CE 3.18Å; E749-K752 IonicContact OE2-NZ 3.1Å; E749-K752 PolarHBondContact OE2-NZ 3.14Å; L750-K752 PolarHBondContact O-N 3.34Å; K752-Y754 VanDerWaalsContact C-N 3.35Å; K752-Y754 PolarHBondContact O-N 3.19Å; K752-L755 PolarHBondContact O-N 2.81Å; K752-L756 VanDerWaalsContact O-CG 3.32Å; K752-L756 WeakPolarHBondContact O-CG 3.46Å; K752-L756 PolarHBondContact O-N 3.23Å
753	T	86.8	Confident	86.7	Confident	88 Å²	88	57.7 Å²	57.7	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-65.3	-35.5	-179	-54.6	0	0	0	0	112.7	L750 L751	L750-T753 PolarHBondContact O-N 3.1Å; L751-T753 VanDerWaalsContact C-N 3.29Å; L751-T753 PolarHBondContact O-N 3.39Å
754	Y	88.5	Confident	87.3	Confident	16 Å²	16	56.1 Å²	56.1	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-47.3	172.2	176.8	-112.9	0	0	0	111.8	I687 M692 S695 Y718 L733 L750 L751 K752 L756 K757 V758	I687-Y754 HydrophobicContact CD1-CD2 3.83Å; I687-Y754 HydrophobicContact CD1-CE2 3.58Å; M692-Y754 HydrophobicContact CE-CE2 4Å; M692-Y754 HydrophobicContact SD-CE2 4.41Å; S695-Y754 WeakPolarHBondContact CB-OH 3.5Å; S695-Y754 PolarHBondContact OG-OH 2.66Å; Y718-Y754 HydrophobicContact CE1-CE1 4.48Å; L733-Y754 HydrophobicContact CD1-CD1 4.25Å; L733-Y754 HydrophobicContact CD1-CD2 4.28Å; L733-Y754 HydrophobicContact CD1-CE1 4.09Å; L733-Y754 HydrophobicContact CD1-CE2 4.13Å; L733-Y754 HydrophobicContact CD1-CG 4.34Å; L750-Y754 PolarHBondContact O-N 2.93Å; L751-Y754 PolarHBondContact O-N 3.38Å; K752-Y754 VanDerWaalsContact C-N 3.35Å; K752-Y754 PolarHBondContact O-N 3.19Å; Y754-L756 VanDerWaalsContact C-N 3.34Å; Y754-L756 PolarHBondContact O-N 2.98Å; Y754-K757 WeakPolarHBondContact O-CB 3.23Å; Y754-K757 PolarHBondContact O-N 3.3Å; Y754-K757 VanDerWaalsContact O-N 3.08Å; Y754-V758 HydrophobicContact CD1-CG2 4.2Å; Y754-V758 HydrophobicContact CE1-CG2 3.76Å; Y754-V758 HydrophobicContact CE2-CG2 4.14Å; Y754-V758 PolarHBondContact O-N 2.96Å; Y754-V758 VanDerWaalsContact O-N 3.09Å
755	L	92.4	Very high	87.7	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-31.3	-177.3	-71	167.6	0	0	0	113	V699 L714 T715 Y718 L751 K752 K757 V758 L759	V699-L755 HydrophobicContact CG2-CD2 3.83Å; L714-L755 HydrophobicContact CD2-CB 4.46Å; L714-L755 HydrophobicContact CG-CD1 4.4Å; T715-L755 HydrophobicContact CG2-CD1 4.42Å; Y718-L755 HydrophobicContact CD1-CD1 4.45Å; Y718-L755 HydrophobicContact CD1-CD2 4.3Å; Y718-L755 HydrophobicContact CD2-CD2 3.61Å; Y718-L755 HydrophobicContact CE2-CD2 4Å; Y718-L755 HydrophobicContact CG-CD1 4.1Å; Y718-L755 HydrophobicContact CG-CD2 3.79Å; Y718-L755 HydrophobicContact CG-CG 4.44Å; L751-L755 HydrophobicContact CB-CD1 4.42Å; L751-L755 WeakPolarHBondContact O-CB 3.23Å; L751-L755 VanDerWaalsContact O-CG 3.29Å; L751-L755 WeakPolarHBondContact O-CG 3.42Å; L751-L755 PolarHBondContact O-N 3.23Å; K752-L755 PolarHBondContact O-N 2.81Å; L755-K757 VanDerWaalsContact C-N 3.31Å; L755-K757 PolarHBondContact O-N 3.18Å; L755-V758 PolarHBondContact O-N 3Å; L755-L759 WeakPolarHBondContact O-CB 3.36Å; L755-L759 WeakPolarHBondContact O-CD1 3.25Å; L755-L759 VanDerWaalsContact O-CG 3.25Å; L755-L759 WeakPolarHBondContact O-CG 3.39Å; L755-L759 PolarHBondContact O-N 3.4Å
756	L	91.8	Very high	88.2	Confident	70 Å²	70	56.7 Å²	56.7	37%	0.366	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-39	170.1	-75.5	170.5	0	0	0	112	L711 K752 Y754 H760 F784	L711-L756 HydrophobicContact CD1-CD2 4.19Å; L711-L756 HydrophobicContact CD1-CG 4.21Å; L711-L756 HydrophobicContact CD2-CD1 4.15Å; L711-L756 HydrophobicContact CD2-CD2 4.05Å; L711-L756 HydrophobicContact CD2-CG 4.1Å; K752-L756 VanDerWaalsContact O-CG 3.32Å; K752-L756 WeakPolarHBondContact O-CG 3.46Å; K752-L756 PolarHBondContact O-N 3.23Å; Y754-L756 VanDerWaalsContact C-N 3.34Å; Y754-L756 PolarHBondContact O-N 2.98Å; L756-H760 WeakPolarHBondContact O-CB 3.49Å; L756-H760 PolarHBondContact O-N 2.77Å; L756-F784 HydrophobicContact CD2-CE2 4.2Å; L756-F784 HydrophobicContact CD2-CZ 3.63Å
757	K	89.6	Confident	88.7	Confident	132 Å²	132	54.3 Å²	54.3	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-65.9	-45.8	172.8	-63.5	-178.9	179.8	-174.9	0	111.1	Y754 L755 L759 H760 T761	Y754-K757 WeakPolarHBondContact O-CB 3.23Å; Y754-K757 PolarHBondContact O-N 3.3Å; Y754-K757 VanDerWaalsContact O-N 3.08Å; L755-K757 VanDerWaalsContact C-N 3.31Å; L755-K757 PolarHBondContact O-N 3.18Å; K757-L759 PolarHBondContact O-N 3.01Å; K757-H760 WeakPolarHBondContact O-CB 3.41Å; K757-H760 PolarHBondContact O-N 3.28Å; K757-T761 PolarHBondContact O-N 2.99Å; K757-T761 PolarHBondContact O-OG1 3.42Å; K757-T761 VanDerWaalsContact O-OG1 3.06Å
758	V	91.1	Very high	89.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-45.1	176.8	178.6	0	0	0	0	111.7	M692 I696 V699 Y754 L755 H760 T761 I762	M692-V758 HydrophobicContact SD-CG2 3.8Å; I696-V758 HydrophobicContact CG1-CG1 4.16Å; V699-V758 HydrophobicContact CB-CG1 4.06Å; V699-V758 HydrophobicContact CG2-CG1 3.87Å; Y754-V758 HydrophobicContact CD1-CG2 4.2Å; Y754-V758 HydrophobicContact CE1-CG2 3.76Å; Y754-V758 HydrophobicContact CE2-CG2 4.14Å; Y754-V758 PolarHBondContact O-N 2.96Å; Y754-V758 VanDerWaalsContact O-N 3.09Å; L755-V758 PolarHBondContact O-N 3Å; V758-H760 VanDerWaalsContact C-N 3.34Å; V758-H760 PolarHBondContact O-N 2.94Å; V758-T761 PolarHBondContact O-N 3.03Å; V758-I762 HydrophobicContact CG1-CD1 3.85Å; V758-I762 WeakPolarHBondContact O-CD1 3.22Å; V758-I762 VanDerWaalsContact O-CG1 3.24Å; V758-I762 WeakPolarHBondContact O-CG1 3.4Å; V758-I762 PolarHBondContact O-N 2.7Å
759	L	92.1	Very high	89.3	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-39.3	177	-76.7	164.1	0	0	0	112.2	V699 L703 L711 L714 L755 K757 I762 D763 A764 F784	V699-L759 HydrophobicContact CG1-CD2 3.62Å; V699-L759 HydrophobicContact CG1-CG 4.2Å; L703-L759 HydrophobicContact CD1-CD2 3.93Å; L711-L759 HydrophobicContact CD1-CD1 4.28Å; L714-L759 HydrophobicContact CD2-CD1 3.76Å; L714-L759 HydrophobicContact CD2-CD2 4.01Å; L714-L759 HydrophobicContact CD2-CG 4.02Å; L755-L759 WeakPolarHBondContact O-CB 3.36Å; L755-L759 WeakPolarHBondContact O-CD1 3.25Å; L755-L759 VanDerWaalsContact O-CG 3.25Å; L755-L759 WeakPolarHBondContact O-CG 3.39Å; L755-L759 PolarHBondContact O-N 3.4Å; K757-L759 PolarHBondContact O-N 3.01Å; L759-I762 PolarHBondContact O-N 2.87Å; L759-D763 PolarHBondContact O-N 2.84Å; L759-A764 HydrophobicContact CB-CB 4.4Å; L759-A764 HydrophobicContact CD2-CB 3.85Å; L759-A764 PolarHBondContact O-N 2.62Å; L759-F784 HydrophobicContact CB-CE1 4.43Å; L759-F784 HydrophobicContact CD1-CD1 4.01Å; L759-F784 HydrophobicContact CD1-CD2 3.73Å; L759-F784 HydrophobicContact CD1-CE1 3.96Å; L759-F784 HydrophobicContact CD1-CE2 3.67Å; L759-F784 HydrophobicContact CD1-CG 3.91Å; L759-F784 HydrophobicContact CD1-CZ 3.81Å; L759-F784 HydrophobicContact CD2-CB 4.29Å; L759-F784 HydrophobicContact CD2-CD1 4.25Å; L759-F784 HydrophobicContact CD2-CG 4.16Å
760	H	89.8	Confident	89.5	Confident	153 Å²	153	56.3 Å²	56.3	71%	0.708	29%	0.293	S	S	*	.	H	α-helix	trans	-65.1	-43.6	174.1	-172.5	68.7	0	0	0	111.7	L756 K757 V758 I762 D763	L756-H760 WeakPolarHBondContact O-CB 3.49Å; L756-H760 PolarHBondContact O-N 2.77Å; K757-H760 WeakPolarHBondContact O-CB 3.41Å; K757-H760 PolarHBondContact O-N 3.28Å; V758-H760 VanDerWaalsContact C-N 3.34Å; V758-H760 PolarHBondContact O-N 2.94Å; H760-I762 VanDerWaalsContact C-N 3.25Å; H760-I762 PolarHBondContact O-N 3.42Å; H760-D763 WeakPolarHBondContact O-CA 3.22Å; H760-D763 PolarHBondContact O-N 2.97Å
761	T	89.3	Confident	89.9	Confident	86 Å²	86	54.1 Å²	54.1	53%	0.528	28%	0.279	S	S	.	.	H	α-helix	trans	-68.1	-21.8	175.6	-45.8	0	0	0	0	113.5	I696 K757 V758 D763	I696-T761 HydrophobicContact CD1-CG2 3.62Å; K757-T761 PolarHBondContact O-N 2.99Å; K757-T761 PolarHBondContact O-OG1 3.42Å; K757-T761 VanDerWaalsContact O-OG1 3.06Å; V758-T761 PolarHBondContact O-N 3.03Å; T761-D763 VanDerWaalsContact C-N 3.27Å
762	I	88.1	Confident	89.9	Confident	19 Å²	19	54.4 Å²	54.4	10%	0.097	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.6	170.5	-70.2	166.1	0	0	0	112.1	I696 V699 K700 L703 V758 L759 H760 A764	I696-I762 HydrophobicContact CB-CG1 4.42Å; I696-I762 HydrophobicContact CG1-CG1 4.32Å; I696-I762 HydrophobicContact CG2-CG1 4.06Å; V699-I762 HydrophobicContact CB-CD1 3.52Å; V699-I762 HydrophobicContact CG1-CD1 3.44Å; V699-I762 VanDerWaalsContact CG1-CD1 3.44Å; K700-I762 HydrophobicContact CD-CG1 4.47Å; K700-I762 HydrophobicContact CG-CD1 4.04Å; K700-I762 HydrophobicContact CG-CG1 3.94Å; K700-I762 HydrophobicContact CG-CG2 3.8Å; L703-I762 HydrophobicContact CD1-CG2 4.39Å; V758-I762 HydrophobicContact CG1-CD1 3.85Å; V758-I762 WeakPolarHBondContact O-CD1 3.22Å; V758-I762 VanDerWaalsContact O-CG1 3.24Å; V758-I762 WeakPolarHBondContact O-CG1 3.4Å; V758-I762 PolarHBondContact O-N 2.7Å; L759-I762 PolarHBondContact O-N 2.87Å; H760-I762 VanDerWaalsContact C-N 3.25Å; H760-I762 PolarHBondContact O-N 3.42Å; I762-A764 VanDerWaalsContact C-N 3.3Å; I762-A764 HydrophobicContact CG2-CB 4.27Å
763	D	87.7	Confident	89.8	Confident	87 Å²	87	58.8 Å²	58.8	47%	0.465	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	40.9	-165.8	-160.9	35.6	0	0	0	112.7	L759 H760 T761 K787	L759-D763 PolarHBondContact O-N 2.84Å; H760-D763 WeakPolarHBondContact O-CA 3.22Å; H760-D763 PolarHBondContact O-N 2.97Å; T761-D763 VanDerWaalsContact C-N 3.27Å; D763-K787 WeakPolarHBondContact O-CD 3.17Å; D763-K787 VanDerWaalsContact O-CE 3.25Å; D763-K787 WeakPolarHBondContact O-CE 3.48Å; D763-K787 VanDerWaalsContact O-CG 3.24Å; D763-K787 WeakPolarHBondContact O-CG 3.38Å; D763-K787 WeakPolarHBondContact OD1-CE 3.28Å; D763-K787 IonicContact OD1-NZ 2.69Å; D763-K787 PolarHBondContact OD1-NZ 3.48Å; D763-K787 WeakPolarHBondContact OD2-CD 3.3Å; D763-K787 WeakPolarHBondContact OD2-CE 3.5Å; D763-K787 IonicContact OD2-NZ 2.63Å; D763-K787 PolarHBondContact OD2-NZ 2.96Å
764	A	88.7	Confident	89.7	Confident	15 Å²	15	56.6 Å²	56.6	12%	0.124	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-68.1	139.6	173.6	0	0	0	0	0	111	L703 L759 I762 F784	L703-A764 HydrophobicContact CD1-CB 3.94Å; L759-A764 HydrophobicContact CB-CB 4.4Å; L759-A764 HydrophobicContact CD2-CB 3.85Å; L759-A764 PolarHBondContact O-N 2.62Å; I762-A764 VanDerWaalsContact C-N 3.3Å; I762-A764 HydrophobicContact CG2-CB 4.27Å; A764-F784 HydrophobicContact CB-CD1 4.45Å
765	R	90	Very high	89.5	Confident	66 Å²	66	62.7 Å²	62.7	25%	0.249	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.7	174.5	166.3	-178.7	-173.2	175.6	5.2	108.8	L767 F784 V785 K787 E812	R765-L767 HydrophobicContact CG-CD2 4.4Å; R765-F784 WeakPolarHBondContact O-CA 3.37Å; R765-V785 HydrophobicContact CB-CG2 3.86Å; R765-V785 HydrophobicContact CG-CG2 3.83Å; R765-V785 PolarHBondContact N-O 3.41Å; R765-V785 VanDerWaalsContact O-CG2 3.27Å; R765-V785 WeakPolarHBondContact O-CG2 3.45Å; R765-V785 PolarHBondContact O-N 2.94Å; R765-K787 HydrophobicContact CB-CG 3.76Å; R765-E812 IonicContact CZ-OE1 2.73Å; R765-E812 IonicContact NE-OE1 3.71Å; R765-E812 IonicContact NH2-OE1 2.69Å; R765-E812 PolarHBondContact NH2-OE1 3.41Å; R765-E812 IonicContact NH2-OE2 3.82Å; R765-E812 PolarHBondContact NH2-OE2 2.72Å
766	Q	92.4	Very high	89.1	Confident	107 Å²	107	64.9 Å²	64.9	50%	0.5	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	139.9	159.9	-170.3	173.8	-24.8	0	0	108.6	L783 F784	Q766-L783 WeakPolarHBondContact CA-O 3.42Å; Q766-F784 HydrophobicContact CB-CD1 4.01Å; Q766-F784 HydrophobicContact CB-CE1 3.66Å; Q766-F784 HydrophobicContact CB-CZ 4.35Å; Q766-F784 HydrophobicContact CG-CD1 4.45Å; Q766-F784 HydrophobicContact CG-CE1 3.94Å; Q766-F784 HydrophobicContact CG-CZ 4.13Å
767	L	90.6	Very high	88.9	Confident	12 Å²	12	63.3 Å²	63.3	6%	0.063	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-95.1	130.2	177.5	-65.8	169.3	0	0	0	111.1	R765 V769 L783 V785 L808 L856	R765-L767 HydrophobicContact CG-CD2 4.4Å; L767-V769 VanDerWaalsContact C-N 3.27Å; L767-V769 HydrophobicContact CB-CG2 3.47Å; L767-V769 VanDerWaalsContact CB-CG2 3.47Å; L767-V769 HydrophobicContact CD1-CG2 4.39Å; L767-V769 PolarHBondContact O-N 2.92Å; L767-V769 VanDerWaalsContact O-N 3.09Å; L767-L783 PolarHBondContact N-O 2.75Å; L767-V785 HydrophobicContact CD1-CG1 4.25Å; L767-V785 HydrophobicContact CD1-CG2 4.1Å; L767-V785 HydrophobicContact CD2-CG2 3.72Å; L767-V785 HydrophobicContact CG-CG2 3.75Å; L767-L808 HydrophobicContact CD1-CD2 4.03Å; L767-L808 HydrophobicContact CD2-CB 4.24Å; L767-L808 HydrophobicContact CD2-CD1 4.47Å; L767-L808 HydrophobicContact CD2-CD2 4.15Å; L767-L856 HydrophobicContact CD1-CD2 4.24Å
768	T	90.6	Very high	88.8	Confident	116 Å²	116	60.8 Å²	60.8	71%	0.712	34%	0.344	S	S	*	.			trans	-84.9	70.5	171.4	-51.5	0	0	0	0	109.3	E812	T768-E812 WeakPolarHBondContact O-CA 3.43Å
769	V	89.2	Confident	88.6	Confident	17 Å²	17	69.4 Å²	69.4	10%	0.103	38%	0.384	C	S	.	.			trans	-76.5	134.6	-170.7	-176.7	0	0	0	0	112.1	L767 W771 L783 L856 T859	L767-V769 VanDerWaalsContact C-N 3.27Å; L767-V769 HydrophobicContact CB-CG2 3.47Å; L767-V769 VanDerWaalsContact CB-CG2 3.47Å; L767-V769 HydrophobicContact CD1-CG2 4.39Å; L767-V769 PolarHBondContact O-N 2.92Å; L767-V769 VanDerWaalsContact O-N 3.09Å; V769-W771 VanDerWaalsContact O-CD1 3.23Å; V769-W771 PolarHBondContact O-N 2.91Å; V769-L783 HydrophobicContact CG2-CD1 4.27Å; V769-L856 HydrophobicContact CG1-CD2 3.98Å; V769-L856 HydrophobicContact CG2-CD2 3.65Å; V769-T859 HydrophobicContact CG1-CG2 3.82Å
770	C	89.7	Confident	88.5	Confident	54 Å²	54	76.5 Å²	76.5	37%	0.365	42%	0.417	S	S	.	.			trans	-77.5	111.8	165	-172.8	0	0	0	0	109.2	Y811 P815	C770-Y811 PolarHBondContact N-O 2.9Å; C770-P815 VanDerWaalsContact O-CA 3.26Å; C770-P815 WeakPolarHBondContact O-CA 3.5Å; C770-P815 WeakPolarHBondContact O-CB 3.36Å
771	W	90.7	Very high	88.6	Confident	41 Å²	41	72 Å²	72	16%	0.155	40%	0.396	C	S	.	.			trans	-77.8	141	-173	-72.9	83.8	0	0	0	113.1	V769 E779 E780 E781 L783 T859	V769-W771 VanDerWaalsContact O-CD1 3.23Å; V769-W771 PolarHBondContact O-N 2.91Å; W771-E779 WeakPolarHBondContact CZ3-O 3.37Å; W771-E780 HydrophobicContact CB-CG 4.13Å; W771-E780 WeakPolarHBondContact CB-OE1 3.49Å; W771-E780 HydrophobicContact CD2-CB 4.06Å; W771-E780 HydrophobicContact CD2-CG 3.74Å; W771-E780 HydrophobicContact CE3-CG 4.19Å; W771-E780 HydrophobicContact CG-CB 4.31Å; W771-E780 HydrophobicContact CG-CG 3.64Å; W771-E780 HydrophobicContact CZ2-CB 4.38Å; W771-E781 WeakPolarHBondContact CZ2-O 3.32Å; W771-L783 HydrophobicContact CH2-CD1 4.26Å; W771-L783 HydrophobicContact CH2-CD2 4.4Å; W771-L783 HydrophobicContact CH2-CG 4.34Å; W771-L783 HydrophobicContact CZ2-CD1 4.26Å; W771-L783 HydrophobicContact CZ2-CG 4.18Å; W771-T859 HydrophobicContact CD2-CG2 4.49Å; W771-T859 HydrophobicContact CE3-CG2 4.14Å; W771-T859 HydrophobicContact CH2-CG2 4.26Å; W771-T859 HydrophobicContact CZ3-CG2 4.05Å
772	P	89.3	Confident	88.7	Confident	7 Å²	7	70.1 Å²	70.1	5%	0.045	39%	0.386	C	S	.	.			trans	-83.3	122.4	-175.2	32.1	-34	0	0	0	112.7	V774 A777 P815 F855 V860	P772-V774 HydrophobicContact CB-CG2 4.16Å; P772-V774 HydrophobicContact CG-CG2 4.47Å; P772-V774 PolarHBondContact O-N 2.9Å; P772-A777 HydrophobicContact CG-CB 4.31Å; P772-A777 WeakPolarHBondContact O-CB 3.4Å; P772-P815 HydrophobicContact CB-CB 4.05Å; P772-F855 HydrophobicContact CB-CD1 3.78Å; P772-F855 HydrophobicContact CB-CE1 3.85Å; P772-F855 HydrophobicContact CG-CD1 4.13Å; P772-V860 HydrophobicContact CB-CG2 4.49Å; P772-V860 HydrophobicContact CG-CG2 3.67Å
773	T	87	Confident	88.9	Confident	147 Å²	147	69.3 Å²	69.3	90%	0.902	38%	0.382	S	S	*	.			trans	-77.8	54.5	176	58.2	0	0	0	0	112.7
774	V	85.9	Confident	89.2	Confident	41 Å²	41	65.6 Å²	65.6	25%	0.248	36%	0.361	C	S	.	.	S	Bend	trans	-113.3	151.6	-179.5	-60.1	0	0	0	0	111.6	P772 T776 A777 F855 V860	P772-V774 HydrophobicContact CB-CG2 4.16Å; P772-V774 HydrophobicContact CG-CG2 4.47Å; P772-V774 PolarHBondContact O-N 2.9Å; V774-T776 PolarHBondContact O-N 2.89Å; V774-A777 HydrophobicContact CG2-CB 4.07Å; V774-A777 WeakPolarHBondContact O-CB 3.43Å; V774-A777 PolarHBondContact O-N 2.93Å; V774-F855 HydrophobicContact CG1-CE1 3.91Å; V774-F855 HydrophobicContact CG1-CZ 4.14Å; V774-F855 HydrophobicContact CG2-CE1 4.17Å; V774-V860 HydrophobicContact CG2-CG2 4.11Å
775	P	82.9	Confident	89.3	Confident	144 Å²	144	64.9 Å²	64.9	94%	0.935	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-9.3	-178	-24.7	35.1	0	0	0	116.1
776	T	85.1	Confident	89.1	Confident	47 Å²	47	63.1 Å²	63.1	29%	0.288	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	9.5	176.5	55	0	0	0	0	113	V774 V860 S861	V774-T776 PolarHBondContact O-N 2.89Å; T776-V860 WeakPolarHBondContact O-CA 3.3Å; T776-V860 WeakPolarHBondContact O-CG1 3.14Å; T776-V860 WeakPolarHBondContact OG1-CG1 3.38Å; T776-S861 PolarHBondContact O-N 3.48Å
777	A	86.4	Confident	88.6	Confident	37 Å²	37	62.8 Å²	62.8	31%	0.306	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-66.1	155.1	177.3	0	0	0	0	0	111.6	P772 V774 T859	P772-A777 HydrophobicContact CG-CB 4.31Å; P772-A777 WeakPolarHBondContact O-CB 3.4Å; V774-A777 HydrophobicContact CG2-CB 4.07Å; V774-A777 WeakPolarHBondContact O-CB 3.43Å; V774-A777 PolarHBondContact O-N 2.93Å; A777-T859 WeakPolarHBondContact CA-O 3.28Å
778	L	88.4	Confident	87.7	Confident	79 Å²	79	67.4 Å²	67.4	41%	0.414	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-99	162.8	173	-61.4	174.2	0	0	0	109.9	T859	L778-T859 PolarHBondContact N-O 3.18Å
779	E	86.9	Confident	86.6	Confident	180 Å²	180	62.5 Å²	62.5	84%	0.841	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-63.3	146.4	174.4	-64	178.6	165.9	0	0	110.7	W771 E781	W771-E779 WeakPolarHBondContact CZ3-O 3.37Å; E779-E781 PolarHBondContact O-N 2.85Å
780	E	90.4	Very high	85.4	Confident	151 Å²	151	62.2 Å²	62.2	71%	0.706	35%	0.347	S	S	*	.			trans	-70.9	113.9	-175.6	-52.8	-165.8	174	0	0	110.8	W771	W771-E780 HydrophobicContact CB-CG 4.13Å; W771-E780 WeakPolarHBondContact CB-OE1 3.49Å; W771-E780 HydrophobicContact CD2-CB 4.06Å; W771-E780 HydrophobicContact CD2-CG 3.74Å; W771-E780 HydrophobicContact CE3-CG 4.19Å; W771-E780 HydrophobicContact CG-CB 4.31Å; W771-E780 HydrophobicContact CG-CG 3.64Å; W771-E780 HydrophobicContact CZ2-CB 4.38Å
781	E	90.4	Very high	84.1	Confident	58 Å²	58	64.1 Å²	64.1	27%	0.271	36%	0.359	S	S	.	.			trans	-137.1	152.7	176	67.6	161	136.6	0	0	113.3	A710 L711 S712 W771 E779 L783	A710-E781 HydrophobicContact CB-CG 4.09Å; L711-E781 PolarHBondContact N-OE2 2.84Å; S712-E781 WeakPolarHBondContact CA-OE2 3.41Å; S712-E781 WeakPolarHBondContact CB-OE1 3.42Å; S712-E781 WeakPolarHBondContact CB-OE2 3.42Å; S712-E781 PolarHBondContact N-OE2 3.18Å; S712-E781 PolarHBondContact OG-OE1 2.86Å; S712-E781 PolarHBondContact OG-OE2 3.02Å; W771-E781 WeakPolarHBondContact CZ2-O 3.32Å; E779-E781 PolarHBondContact O-N 2.85Å; E781-L783 HydrophobicContact CG-CD2 4.41Å; E781-L783 PolarHBondContact O-N 3.06Å; E781-L783 VanDerWaalsContact O-N 3.16Å
782	P	92.1	Very high	82.8	Confident	48 Å²	48	63.7 Å²	63.7	31%	0.312	36%	0.359	S	S	.	.			trans	-59.1	119.4	-177.5	-26.5	36.4	0	0	0	113	L711 F784	L711-P782 HydrophobicContact CB-CB 4.29Å; L711-P782 HydrophobicContact CD2-CB 4.48Å; L711-P782 HydrophobicContact CD2-CG 4.24Å; L711-P782 PolarHBondContact N-O 2.83Å; P782-F784 HydrophobicContact CB-CE2 3.67Å; P782-F784 HydrophobicContact CB-CZ 4.02Å
783	L	93.1	Very high	81.3	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.9	176.7	-54.3	-170.1	0	0	0	110.7	I708 A710 Q766 L767 V769 W771 E781 L856 C858 T859	I708-L783 HydrophobicContact CG2-CB 4.21Å; I708-L783 HydrophobicContact CG2-CD1 4.33Å; A710-L783 HydrophobicContact CB-CD2 3.51Å; Q766-L783 WeakPolarHBondContact CA-O 3.42Å; L767-L783 PolarHBondContact N-O 2.75Å; V769-L783 HydrophobicContact CG2-CD1 4.27Å; W771-L783 HydrophobicContact CH2-CD1 4.26Å; W771-L783 HydrophobicContact CH2-CD2 4.4Å; W771-L783 HydrophobicContact CH2-CG 4.34Å; W771-L783 HydrophobicContact CZ2-CD1 4.26Å; W771-L783 HydrophobicContact CZ2-CG 4.18Å; E781-L783 HydrophobicContact CG-CD2 4.41Å; E781-L783 PolarHBondContact O-N 3.06Å; E781-L783 VanDerWaalsContact O-N 3.16Å; L783-L856 HydrophobicContact CD1-CD2 3.85Å; L783-C858 HydrophobicContact CD1-CB 4.03Å; L783-C858 HydrophobicContact CD2-CB 3.68Å; L783-T859 HydrophobicContact CD1-CG2 4.05Å
784	F	93	Very high	80	Confident	9 Å²	9	58.6 Å²	58.6	4%	0.039	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.7	-176.5	-65.1	-86.7	0	0	0	113	L703 I708 V709 L711 L756 L759 A764 R765 Q766 P782	L703-F784 HydrophobicContact CD2-CB 4.24Å; I708-F784 WeakPolarHBondContact CA-O 3.42Å; V709-F784 PolarHBondContact N-O 2.79Å; V709-F784 PolarHBondContact O-N 2.93Å; L711-F784 HydrophobicContact CB-CE2 4.26Å; L711-F784 HydrophobicContact CD1-CE2 4.27Å; L756-F784 HydrophobicContact CD2-CE2 4.2Å; L756-F784 HydrophobicContact CD2-CZ 3.63Å; L759-F784 HydrophobicContact CB-CE1 4.43Å; L759-F784 HydrophobicContact CD1-CD1 4.01Å; L759-F784 HydrophobicContact CD1-CD2 3.73Å; L759-F784 HydrophobicContact CD1-CE1 3.96Å; L759-F784 HydrophobicContact CD1-CE2 3.67Å; L759-F784 HydrophobicContact CD1-CG 3.91Å; L759-F784 HydrophobicContact CD1-CZ 3.81Å; L759-F784 HydrophobicContact CD2-CB 4.29Å; L759-F784 HydrophobicContact CD2-CD1 4.25Å; L759-F784 HydrophobicContact CD2-CG 4.16Å; A764-F784 HydrophobicContact CB-CD1 4.45Å; R765-F784 WeakPolarHBondContact O-CA 3.37Å; Q766-F784 HydrophobicContact CB-CD1 4.01Å; Q766-F784 HydrophobicContact CB-CE1 3.66Å; Q766-F784 HydrophobicContact CB-CZ 4.35Å; Q766-F784 HydrophobicContact CG-CD1 4.45Å; Q766-F784 HydrophobicContact CG-CE1 3.94Å; Q766-F784 HydrophobicContact CG-CZ 4.13Å; P782-F784 HydrophobicContact CB-CE2 3.67Å; P782-F784 HydrophobicContact CB-CZ 4.02Å
785	V	90.4	Very high	78.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146	173.5	-91.7	0	0	0	0	108.8	P707 I708 R765 L767 L808	P707-V785 WeakPolarHBondContact O-CG1 3.04Å; I708-V785 HydrophobicContact CG1-CG1 4.14Å; R765-V785 HydrophobicContact CB-CG2 3.86Å; R765-V785 HydrophobicContact CG-CG2 3.83Å; R765-V785 PolarHBondContact N-O 3.41Å; R765-V785 VanDerWaalsContact O-CG2 3.27Å; R765-V785 WeakPolarHBondContact O-CG2 3.45Å; R765-V785 PolarHBondContact O-N 2.94Å; L767-V785 HydrophobicContact CD1-CG1 4.25Å; L767-V785 HydrophobicContact CD1-CG2 4.1Å; L767-V785 HydrophobicContact CD2-CG2 3.72Å; L767-V785 HydrophobicContact CG-CG2 3.75Å; V785-L808 HydrophobicContact CG1-CD1 4.14Å; V785-L808 HydrophobicContact CG1-CD2 4.13Å; V785-L808 HydrophobicContact CG2-CD1 4.27Å
786	I	86.7	Confident	77.4	Confident	28 Å²	28	59.8 Å²	59.8	14%	0.144	35%	0.351	C	S	.	.			trans	-64.4	136.9	165.1	-172.1	170.2	0	0	0	109.6	L703 N704 V788 R804	L703-I786 HydrophobicContact CB-CB 4.22Å; N704-I786 VanDerWaalsContact OD1-CD1 3.32Å; N704-I786 WeakPolarHBondContact OD1-CD1 3.39Å; I786-V788 WeakPolarHBondContact CG2-O 3.33Å; I786-R804 VanDerWaalsContact CG2-NH2 3.31Å; I786-R804 PolarHBondContact O-NH1 3.34Å; I786-R804 PolarHBondContact O-NH2 3.07Å
787	K	81.1	Confident	76.7	Confident	100 Å²	100	59.4 Å²	59.4	44%	0.435	35%	0.35	S	S	.	.	S	Bend	trans	-64.6	-62.5	179.9	-83.4	-174.9	-165.6	178.7	0	111.6	D763 R765 A789 R804	D763-K787 WeakPolarHBondContact O-CD 3.17Å; D763-K787 VanDerWaalsContact O-CE 3.25Å; D763-K787 WeakPolarHBondContact O-CE 3.48Å; D763-K787 VanDerWaalsContact O-CG 3.24Å; D763-K787 WeakPolarHBondContact O-CG 3.38Å; D763-K787 WeakPolarHBondContact OD1-CE 3.28Å; D763-K787 IonicContact OD1-NZ 2.69Å; D763-K787 PolarHBondContact OD1-NZ 3.48Å; D763-K787 WeakPolarHBondContact OD2-CD 3.3Å; D763-K787 WeakPolarHBondContact OD2-CE 3.5Å; D763-K787 IonicContact OD2-NZ 2.63Å; D763-K787 PolarHBondContact OD2-NZ 2.96Å; R765-K787 HydrophobicContact CB-CG 3.76Å; K787-A789 PolarHBondContact O-N 3.23Å; K787-R804 PolarHBondContact O-NH1 2.94Å
788	V	73.2	Confident	76.3	Confident	110 Å²	110	64.1 Å²	64.1	67%	0.667	37%	0.366	S	S	*	.	S	Bend	trans	-65.7	130	175.8	-176	0	0	0	0	108.9	I786 G790	I786-V788 WeakPolarHBondContact CG2-O 3.33Å; V788-G790 PolarHBondContact O-N 2.83Å
789	A	65.8	Low	76	Confident	12 Å²	12	62.3 Å²	62.3	10%	0.099	36%	0.359	C	S	.	.			trans	-55.8	121.1	173	0	0	0	0	0	110.4	K787 C793 A801	K787-A789 PolarHBondContact O-N 3.23Å; A789-C793 HydrophobicContact CB-CB 4.04Å; A789-A801 HydrophobicContact CB-CB 3.88Å
790	G	63.9	Low	75.8	Confident	11 Å²	11	54.8 Å²	54.8	11%	0.113	33%	0.325	C	S	.	.			trans	-86.4	-163.6	-175.8	0	0	0	0	0	112.7	V788 E792 C793	V788-G790 PolarHBondContact O-N 2.83Å; G790-E792 WeakPolarHBondContact CA-OE2 3.27Å; G790-E792 PolarHBondContact N-OE1 3.25Å; G790-E792 PolarHBondContact N-OE2 2.91Å; G790-E792 VanDerWaalsContact N-OE2 3.1Å; G790-E792 PolarHBondContact O-N 3.42Å; G790-C793 PolarHBondContact O-N 2.98Å
791	P	63.9	Low	75.5	Confident	94 Å²	94	48.5 Å²	48.5	61%	0.61	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-63.1	-12.2	179.5	28.2	-35.1	0	0	0	113.5	C793 G794	P791-C793 PolarHBondContact O-N 3.35Å; P791-G794 PolarHBondContact O-N 2.79Å
792	E	62	Low	75.3	Confident	33 Å²	33	50 Å²	50	15%	0.154	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.6	171.7	80.7	-74	179.3	0	0	113	G790 G794 R804 Y846	G790-E792 WeakPolarHBondContact CA-OE2 3.27Å; G790-E792 PolarHBondContact N-OE1 3.25Å; G790-E792 PolarHBondContact N-OE2 2.91Å; G790-E792 VanDerWaalsContact N-OE2 3.1Å; G790-E792 PolarHBondContact O-N 3.42Å; E792-G794 VanDerWaalsContact C-N 3.34Å; E792-R804 IonicContact OE1-CZ 3.44Å; E792-R804 IonicContact OE1-NE 2.82Å; E792-R804 PolarHBondContact OE1-NE 3.04Å; E792-R804 VanDerWaalsContact OE1-NE 3.1Å; E792-R804 IonicContact OE1-NH2 2.71Å; E792-R804 PolarHBondContact OE1-NH2 3.39Å; E792-Y846 WeakPolarHBondContact CG-OH 3.36Å; E792-Y846 PolarHBondContact OE1-OH 3.41Å
793	C	58.4	Low	75.1	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.027	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-90.8	6.4	174.2	-64.8	0	0	0	0	113.6	A789 G790 P791 I800	A789-C793 HydrophobicContact CB-CB 4.04Å; G790-C793 PolarHBondContact O-N 2.98Å; P791-C793 PolarHBondContact O-N 3.35Å; C793-I800 HydrophobicContact CB-CB 4.43Å; C793-I800 HydrophobicContact CB-CG2 3.8Å
794	G	59.8	Low	74.9	Confident	43 Å²	43	47.9 Å²	47.9	44%	0.443	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-158.4	-176.2	0	0	0	0	0	113.2	P791 E792 V796	P791-G794 PolarHBondContact O-N 2.79Å; E792-G794 VanDerWaalsContact C-N 3.34Å; G794-V796 PolarHBondContact O-N 2.68Å; G794-V796 VanDerWaalsContact O-N 3.12Å
795	A	56	Low	74.8	Confident	102 Å²	102	50.4 Å²	50.4	84%	0.843	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	112.9	166.3	0	0	0	0	0	107.9	S797	A795-S797 PolarHBondContact O-N 2.83Å
796	V	57.6	Low	74.8	Confident	108 Å²	108	52 Å²	52	66%	0.655	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.3	95	-158	-172.9	0	0	0	0	112.9	G794	G794-V796 PolarHBondContact O-N 2.68Å; G794-V796 VanDerWaalsContact O-N 3.12Å
797	S	70.8	Confident	75	Confident	38 Å²	38	50.7 Å²	50.7	27%	0.266	31%	0.306	S	S	.	.			trans	-100.1	118.9	175.6	71.1	0	0	0	0	109.2	A795 P799 I800 A801	A795-S797 PolarHBondContact O-N 2.83Å; S797-P799 VanDerWaalsContact C-N 3.29Å; S797-P799 VanDerWaalsContact O-N 3.17Å; S797-I800 PolarHBondContact O-N 3.3Å; S797-I800 VanDerWaalsContact OG-CD1 3.22Å; S797-I800 WeakPolarHBondContact OG-CD1 3.22Å; S797-I800 VanDerWaalsContact OG-CG1 3.29Å; S797-I800 WeakPolarHBondContact OG-CG1 3.26Å; S797-A801 PolarHBondContact O-N 3.31Å
798	E	78.5	Confident	75.5	Confident	136 Å²	136	46 Å²	46	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-48.3	-41	-176.6	-154.7	-168	154.4	0	0	113.8	I800 A801 Q802	E798-I800 VanDerWaalsContact C-N 3.3Å; E798-I800 PolarHBondContact O-N 2.68Å; E798-A801 PolarHBondContact O-N 2.9Å; E798-Q802 WeakPolarHBondContact O-CB 3.19Å; E798-Q802 VanDerWaalsContact O-CG 3.32Å; E798-Q802 WeakPolarHBondContact O-CG 3.38Å; E798-Q802 PolarHBondContact O-N 3.47Å; E798-Q802 PolarHBondContact OE1-NE2 3.02Å
799	P	82.8	Confident	76.3	Confident	42 Å²	42	42.6 Å²	42.6	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-29.2	178.5	-22.4	35.3	0	0	0	114.4	S797 F803 P831 K832	S797-P799 VanDerWaalsContact C-N 3.29Å; S797-P799 VanDerWaalsContact O-N 3.17Å; P799-F803 VanDerWaalsContact O-CB 3.32Å; P799-F803 WeakPolarHBondContact O-CB 3.48Å; P799-F803 PolarHBondContact O-N 3.23Å; P799-F803 VanDerWaalsContact O-N 3.13Å; P799-P831 HydrophobicContact CB-CB 4.32Å; P799-K832 HydrophobicContact CB-CB 4.38Å; P799-K832 HydrophobicContact CG-CB 4.2Å
800	I	82.9	Confident	77.5	Confident	22 Å²	22	42 Å²	42	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-79.3	-38.7	178	-60	179.1	0	0	0	110.1	C793 S797 E798 F803 R804 M834 F842	C793-I800 HydrophobicContact CB-CB 4.43Å; C793-I800 HydrophobicContact CB-CG2 3.8Å; S797-I800 PolarHBondContact O-N 3.3Å; S797-I800 VanDerWaalsContact OG-CD1 3.22Å; S797-I800 WeakPolarHBondContact OG-CD1 3.22Å; S797-I800 VanDerWaalsContact OG-CG1 3.29Å; S797-I800 WeakPolarHBondContact OG-CG1 3.26Å; E798-I800 VanDerWaalsContact C-N 3.3Å; E798-I800 PolarHBondContact O-N 2.68Å; I800-F803 PolarHBondContact O-N 2.73Å; I800-R804 PolarHBondContact O-N 2.83Å; I800-M834 HydrophobicContact CD1-CE 3.73Å; I800-M834 HydrophobicContact CG1-CE 3.86Å; I800-M834 HydrophobicContact CG2-CE 3.93Å; I800-F842 HydrophobicContact CG2-CD2 4.38Å; I800-F842 HydrophobicContact CG2-CE1 4.34Å; I800-F842 HydrophobicContact CG2-CE2 3.71Å; I800-F842 HydrophobicContact CG2-CZ 3.68Å
801	A	83.8	Confident	78.8	Confident	18 Å²	18	41.7 Å²	41.7	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-47.6	173.1	0	0	0	0	0	111.6	A789 S797 E798 F803 R804 D805	A789-A801 HydrophobicContact CB-CB 3.88Å; S797-A801 PolarHBondContact O-N 3.31Å; E798-A801 PolarHBondContact O-N 2.9Å; A801-F803 VanDerWaalsContact C-N 3.29Å; A801-F803 PolarHBondContact O-N 3.36Å; A801-R804 WeakPolarHBondContact O-CB 3.48Å; A801-R804 PolarHBondContact O-N 3.5Å; A801-D805 PolarHBondContact O-N 2.72Å
802	Q	85.4	Confident	80	Confident	91 Å²	91	40.4 Å²	40.4	43%	0.425	25%	0.246	S	C	.	.	H	α-helix	trans	-58.1	-40.6	173.8	-69.7	173.9	7.1	0	0	111.8	E798 D805 I806	E798-Q802 WeakPolarHBondContact O-CB 3.19Å; E798-Q802 VanDerWaalsContact O-CG 3.32Å; E798-Q802 WeakPolarHBondContact O-CG 3.38Å; E798-Q802 PolarHBondContact O-N 3.47Å; E798-Q802 PolarHBondContact OE1-NE2 3.02Å; Q802-D805 PolarHBondContact O-N 3.31Å; Q802-I806 WeakPolarHBondContact O-CD1 3.49Å; Q802-I806 VanDerWaalsContact O-CG1 3.25Å; Q802-I806 WeakPolarHBondContact O-CG1 3.24Å; Q802-I806 PolarHBondContact O-N 2.86Å
803	F	89	Confident	81.2	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-39.5	177.7	-172.9	-119.3	0	0	0	113.3	P799 I800 A801 I806 I807 L822 F829 P831 M839 F842 I843	P799-F803 VanDerWaalsContact O-CB 3.32Å; P799-F803 WeakPolarHBondContact O-CB 3.48Å; P799-F803 PolarHBondContact O-N 3.23Å; P799-F803 VanDerWaalsContact O-N 3.13Å; I800-F803 PolarHBondContact O-N 2.73Å; A801-F803 VanDerWaalsContact C-N 3.29Å; A801-F803 PolarHBondContact O-N 3.36Å; F803-I806 PolarHBondContact O-N 2.89Å; F803-I807 HydrophobicContact CD1-CD1 4.06Å; F803-I807 HydrophobicContact CE1-CD1 3.84Å; F803-I807 HydrophobicContact CZ-CD1 4.22Å; F803-I807 WeakPolarHBondContact O-CG1 3.11Å; F803-I807 PolarHBondContact O-N 3.35Å; F803-I807 VanDerWaalsContact O-N 3.13Å; F803-L822 HydrophobicContact CE2-CD1 4.06Å; F803-L822 HydrophobicContact CE2-CD2 4.09Å; F803-L822 HydrophobicContact CE2-CG 4.11Å; F803-L822 HydrophobicContact CZ-CD2 3.91Å; F803-L822 HydrophobicContact CZ-CG 4.44Å; F803-F829 HydrophobicContact CE2-CD2 4.25Å; F803-F829 HydrophobicContact CE2-CE2 4.12Å; F803-F829 HydrophobicContact CZ-CE2 4.32Å; F803-P831 HydrophobicContact CB-CB 4.44Å; F803-P831 HydrophobicContact CB-CG 3.66Å; F803-P831 HydrophobicContact CD1-CG 3.74Å; F803-P831 HydrophobicContact CD2-CG 3.6Å; F803-P831 HydrophobicContact CE1-CG 4.21Å; F803-P831 HydrophobicContact CE2-CG 4.1Å; F803-P831 HydrophobicContact CG-CG 3.39Å; F803-P831 HydrophobicContact CZ-CG 4.37Å; F803-M839 HydrophobicContact CE1-CG 3.72Å; F803-M839 HydrophobicContact CZ-CG 3.62Å; F803-M839 HydrophobicContact CZ-SD 4.02Å; F803-F842 AromaticContact CD1-CD1 3.76Å; F803-F842 HydrophobicContact CD1-CD1 3.76Å; F803-F842 AromaticContact CD1-CE1 3.95Å; F803-F842 HydrophobicContact CD1-CE1 3.95Å; F803-F842 AromaticContact CE1-CD1 3.99Å; F803-F842 HydrophobicContact CE1-CD1 3.99Å; F803-I843 HydrophobicContact CE1-CD1 4.49Å; F803-I843 HydrophobicContact CE1-CG1 4.11Å; F803-I843 HydrophobicContact CZ-CD1 4.12Å; F803-I843 HydrophobicContact CZ-CG1 4.16Å
804	R	89	Confident	82.7	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.011	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-50.2	171.1	173.9	-171.5	-170.6	-93.2	5.2	111.1	I786 K787 E792 I800 A801 I806 I807 L808 F842 Y846	I786-R804 VanDerWaalsContact CG2-NH2 3.31Å; I786-R804 PolarHBondContact O-NH1 3.34Å; I786-R804 PolarHBondContact O-NH2 3.07Å; K787-R804 PolarHBondContact O-NH1 2.94Å; E792-R804 IonicContact OE1-CZ 3.44Å; E792-R804 IonicContact OE1-NE 2.82Å; E792-R804 PolarHBondContact OE1-NE 3.04Å; E792-R804 VanDerWaalsContact OE1-NE 3.1Å; E792-R804 IonicContact OE1-NH2 2.71Å; E792-R804 PolarHBondContact OE1-NH2 3.39Å; I800-R804 PolarHBondContact O-N 2.83Å; A801-R804 WeakPolarHBondContact O-CB 3.48Å; A801-R804 PolarHBondContact O-N 3.5Å; R804-I806 VanDerWaalsContact C-N 3.33Å; R804-I806 PolarHBondContact O-N 2.84Å; R804-I807 WeakPolarHBondContact O-CB 3.28Å; R804-I807 PolarHBondContact O-N 3.03Å; R804-I807 VanDerWaalsContact O-N 3.11Å; R804-L808 HydrophobicContact CG-CD1 4.37Å; R804-L808 WeakPolarHBondContact O-CG 3.31Å; R804-L808 PolarHBondContact O-N 2.78Å; R804-F842 HydrophobicContact CB-CE1 4.11Å; R804-F842 HydrophobicContact CB-CZ 4.02Å; R804-Y846 HydrophobicContact CG-CE1 4.17Å; R804-Y846 PolarHBondContact NE-OH 3.32Å
805	D	88.9	Confident	84.2	Confident	62 Å²	62	44.6 Å²	44.6	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-68.2	-31.9	-176.9	-67.4	-34	0	0	0	112.6	A801 Q802 L808 A809	A801-D805 PolarHBondContact O-N 2.72Å; Q802-D805 PolarHBondContact O-N 3.31Å; D805-L808 PolarHBondContact O-N 3.39Å; D805-A809 VanDerWaalsContact O-CB 3.3Å; D805-A809 WeakPolarHBondContact O-CB 3.45Å; D805-A809 PolarHBondContact O-N 2.78Å
806	I	91	Very high	85.9	Confident	34 Å²	34	40.3 Å²	40.3	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-41.4	169.8	-68.5	161.1	0	0	0	111.5	Q802 F803 R804 L810 L822 K825 C826	Q802-I806 WeakPolarHBondContact O-CD1 3.49Å; Q802-I806 VanDerWaalsContact O-CG1 3.25Å; Q802-I806 WeakPolarHBondContact O-CG1 3.24Å; Q802-I806 PolarHBondContact O-N 2.86Å; F803-I806 PolarHBondContact O-N 2.89Å; R804-I806 VanDerWaalsContact C-N 3.33Å; R804-I806 PolarHBondContact O-N 2.84Å; I806-L810 HydrophobicContact CG2-CD1 4.29Å; I806-L810 WeakPolarHBondContact O-CG 3.46Å; I806-L810 PolarHBondContact O-N 3.41Å; I806-L822 HydrophobicContact CG2-CD1 3.94Å; I806-K825 HydrophobicContact CG2-CB 3.83Å; I806-C826 HydrophobicContact CD1-CB 4.46Å
807	I	91.4	Very high	87.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-42.6	175.7	-67.7	166.5	0	0	0	110.6	F803 R804 L810 Y811 F817 L822 F842 I843	F803-I807 HydrophobicContact CD1-CD1 4.06Å; F803-I807 HydrophobicContact CE1-CD1 3.84Å; F803-I807 HydrophobicContact CZ-CD1 4.22Å; F803-I807 WeakPolarHBondContact O-CG1 3.11Å; F803-I807 PolarHBondContact O-N 3.35Å; F803-I807 VanDerWaalsContact O-N 3.13Å; R804-I807 WeakPolarHBondContact O-CB 3.28Å; R804-I807 PolarHBondContact O-N 3.03Å; R804-I807 VanDerWaalsContact O-N 3.11Å; I807-L810 WeakPolarHBondContact O-CB 3.37Å; I807-L810 PolarHBondContact O-N 3.43Å; I807-Y811 HydrophobicContact CG2-CD2 4.4Å; I807-Y811 HydrophobicContact CG2-CE2 4.02Å; I807-Y811 WeakPolarHBondContact O-CD2 3.1Å; I807-F817 HydrophobicContact CG2-CE1 4.4Å; I807-F817 HydrophobicContact CG2-CZ 4.42Å; I807-L822 HydrophobicContact CG1-CD1 3.74Å; I807-L822 HydrophobicContact CG1-CD2 4.33Å; I807-F842 HydrophobicContact CD1-CD1 4.38Å; I807-F842 HydrophobicContact CD1-CE1 4.45Å; I807-I843 HydrophobicContact CD1-CG1 4.14Å
808	L	91.2	Very high	88.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-47.1	178.4	-63.4	176.9	0	0	0	111.7	L767 V785 R804 D805 L810 Y811 E812 Y846	L767-L808 HydrophobicContact CD1-CD2 4.03Å; L767-L808 HydrophobicContact CD2-CB 4.24Å; L767-L808 HydrophobicContact CD2-CD1 4.47Å; L767-L808 HydrophobicContact CD2-CD2 4.15Å; V785-L808 HydrophobicContact CG1-CD1 4.14Å; V785-L808 HydrophobicContact CG1-CD2 4.13Å; V785-L808 HydrophobicContact CG2-CD1 4.27Å; R804-L808 HydrophobicContact CG-CD1 4.37Å; R804-L808 WeakPolarHBondContact O-CG 3.31Å; R804-L808 PolarHBondContact O-N 2.78Å; D805-L808 PolarHBondContact O-N 3.39Å; L808-L810 PolarHBondContact O-N 2.85Å; L808-Y811 PolarHBondContact O-N 3.16Å; L808-E812 PolarHBondContact O-N 2.8Å; L808-Y846 HydrophobicContact CD2-CD1 4.37Å
809	A	90.6	Very high	89.2	Confident	38 Å²	38	33.5 Å²	33.5	31%	0.314	19%	0.185	S	C	.	.	H	α-helix	trans	-67	-17.9	177.8	0	0	0	0	0	113.9	D805 S813	D805-A809 VanDerWaalsContact O-CB 3.3Å; D805-A809 WeakPolarHBondContact O-CB 3.45Å; D805-A809 PolarHBondContact O-N 2.78Å; A809-S813 PolarHBondContact O-OG 2.8Å
810	L	91.8	Very high	89.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-68.4	-41.4	167.2	-85.1	161.7	0	0	0	111.7	I806 I807 L808 S813 L814 F817 L822 K825	I806-L810 HydrophobicContact CG2-CD1 4.29Å; I806-L810 WeakPolarHBondContact O-CG 3.46Å; I806-L810 PolarHBondContact O-N 3.41Å; I807-L810 WeakPolarHBondContact O-CB 3.37Å; I807-L810 PolarHBondContact O-N 3.43Å; L808-L810 PolarHBondContact O-N 2.85Å; L810-S813 CarbonylContact O-C 3.45Å; L810-S813 PolarHBondContact O-N 2.95Å; L810-S813 VanDerWaalsContact O-N 3.13Å; L810-S813 PolarHBondContact O-OG 3.13Å; L810-L814 HydrophobicContact CD2-CD1 4.08Å; L810-L814 PolarHBondContact O-N 2.99Å; L810-F817 HydrophobicContact CB-CD1 3.78Å; L810-F817 HydrophobicContact CB-CE1 4Å; L810-F817 HydrophobicContact CD1-CD1 3.99Å; L810-F817 HydrophobicContact CD1-CE1 3.97Å; L810-F817 HydrophobicContact CD1-CG 4.36Å; L810-F817 HydrophobicContact CD1-CZ 4.38Å; L810-F817 HydrophobicContact CG-CD1 4.34Å; L810-L822 HydrophobicContact CD1-CB 4.13Å; L810-L822 HydrophobicContact CD1-CD1 3.55Å; L810-L822 HydrophobicContact CD1-CG 4.45Å; L810-K825 HydrophobicContact CD2-CD 3.7Å; L810-K825 HydrophobicContact CD2-CG 4.42Å; L810-K825 HydrophobicContact CG-CD 3.96Å
811	Y	90.8	Very high	89.9	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-78.8	-17	179.8	-67.3	-68.7	0	0	0	114.5	C770 I807 L808 S813 L814 F817 C847 Y854 F855 L856	C770-Y811 PolarHBondContact N-O 2.9Å; I807-Y811 HydrophobicContact CG2-CD2 4.4Å; I807-Y811 HydrophobicContact CG2-CE2 4.02Å; I807-Y811 WeakPolarHBondContact O-CD2 3.1Å; L808-Y811 PolarHBondContact O-N 3.16Å; Y811-S813 PolarHBondContact O-N 2.85Å; Y811-L814 WeakPolarHBondContact CA-O 3.35Å; Y811-F817 HydrophobicContact CD2-CE1 4.13Å; Y811-F817 AromaticContact CE1-CD1 3.96Å; Y811-F817 HydrophobicContact CE1-CD1 3.96Å; Y811-F817 HydrophobicContact CE1-CE1 4.12Å; Y811-F817 HydrophobicContact CE2-CD1 4.05Å; Y811-F817 AromaticContact CE2-CE1 3.39Å; Y811-F817 HydrophobicContact CE2-CE1 3.39Å; Y811-F817 HydrophobicContact CE2-CZ 4.27Å; Y811-F817 AromaticContact CZ-CD1 3.68Å; Y811-F817 AromaticContact CZ-CE1 3.37Å; Y811-F817 WeakPolarHBondContact OH-CE1 3.28Å; Y811-C847 PolarHBondContact OH-SG 3.33Å; Y811-Y854 VanDerWaalsContact OH-C 3.25Å; Y811-Y854 PolarHBondContact OH-O 2.68Å; Y811-F855 PolarHBondContact OH-N 3.3Å; Y811-F855 PolarHBondContact OH-O 2.98Å; Y811-L856 HydrophobicContact CD1-CB 3.84Å; Y811-L856 HydrophobicContact CD2-CB 3.94Å; Y811-L856 HydrophobicContact CD2-CD1 3.47Å; Y811-L856 VanDerWaalsContact CD2-CD1 3.47Å; Y811-L856 HydrophobicContact CD2-CG 4.22Å; Y811-L856 HydrophobicContact CE1-CB 3.94Å; Y811-L856 HydrophobicContact CE2-CB 4Å; Y811-L856 HydrophobicContact CE2-CD1 3.74Å; Y811-L856 HydrophobicContact CE2-CG 4.49Å; Y811-L856 HydrophobicContact CG-CB 3.83Å; Y811-L856 HydrophobicContact CG-CD1 4.05Å; Y811-L856 HydrophobicContact CG-CG 4.35Å; Y811-L856 VanDerWaalsContact CZ-N 3.33Å; Y811-L856 PolarHBondContact OH-N 3.06Å
812	E	87.8	Confident	90.2	Very high	67 Å²	67	38 Å²	38	31%	0.313	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.2	165.8	-65.8	172.8	156.4	0	0	112.8	R765 T768 L808	R765-E812 IonicContact CZ-OE1 2.73Å; R765-E812 IonicContact NE-OE1 3.71Å; R765-E812 IonicContact NH2-OE1 2.69Å; R765-E812 PolarHBondContact NH2-OE1 3.41Å; R765-E812 IonicContact NH2-OE2 3.82Å; R765-E812 PolarHBondContact NH2-OE2 2.72Å; T768-E812 WeakPolarHBondContact O-CA 3.43Å; L808-E812 PolarHBondContact O-N 2.8Å
813	S	87.3	Confident	90.4	Very high	62 Å²	62	37.7 Å²	37.7	43%	0.434	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-17.2	179.9	49.5	0	0	0	0	115.3	A809 L810 Y811 K825	A809-S813 PolarHBondContact O-OG 2.8Å; L810-S813 CarbonylContact O-C 3.45Å; L810-S813 PolarHBondContact O-N 2.95Å; L810-S813 VanDerWaalsContact O-N 3.13Å; L810-S813 PolarHBondContact O-OG 3.13Å; Y811-S813 PolarHBondContact O-N 2.85Å; S813-K825 PolarHBondContact OG-NZ 3.37Å
814	L	91.2	Very high	90.4	Very high	62 Å²	62	44.9 Å²	44.9	33%	0.325	23%	0.23	S	C	.	.			trans	-144.3	134.8	-176.9	-63.5	172.9	0	0	0	111.1	L810 Y811 S816	L810-L814 HydrophobicContact CD2-CD1 4.08Å; L810-L814 PolarHBondContact O-N 2.99Å; Y811-L814 WeakPolarHBondContact CA-O 3.35Å; L814-S816 PolarHBondContact O-N 2.97Å
815	P	90.4	Very high	90.4	Very high	44 Å²	44	49.4 Å²	49.4	29%	0.286	25%	0.25	S	C	.	.	S	Bend	trans	-72.6	-14.2	178.8	28.4	-33.2	0	0	0	114	C770 P772	C770-P815 VanDerWaalsContact O-CA 3.26Å; C770-P815 WeakPolarHBondContact O-CA 3.5Å; C770-P815 WeakPolarHBondContact O-CB 3.36Å; P772-P815 HydrophobicContact CB-CB 4.05Å
816	S	91.5	Very high	90.2	Very high	12 Å²	12	47.1 Å²	47.1	8%	0.084	24%	0.238	C	C	.	.	S	Bend	trans	-165.6	152.4	169.9	53.3	0	0	0	0	109.8	L814 R853 Y854	L814-S816 PolarHBondContact O-N 2.97Å; S816-R853 PolarHBondContact O-NH2 3.32Å; S816-R853 WeakPolarHBondContact OG-CD 3.3Å; S816-R853 PolarHBondContact OG-NE 2.8Å; S816-Y854 CarbonylContact C-O 3.53Å; S816-Y854 WeakPolarHBondContact CA-O 3.3Å; S816-Y854 WeakPolarHBondContact CB-O 3.33Å
817	F	92.8	Very high	89.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-126.5	158.6	179.5	64.3	-111.3	0	0	0	113.1	I807 L810 Y811 D821 L822 R853 Y854	I807-F817 HydrophobicContact CG2-CE1 4.4Å; I807-F817 HydrophobicContact CG2-CZ 4.42Å; L810-F817 HydrophobicContact CB-CD1 3.78Å; L810-F817 HydrophobicContact CB-CE1 4Å; L810-F817 HydrophobicContact CD1-CD1 3.99Å; L810-F817 HydrophobicContact CD1-CE1 3.97Å; L810-F817 HydrophobicContact CD1-CG 4.36Å; L810-F817 HydrophobicContact CD1-CZ 4.38Å; L810-F817 HydrophobicContact CG-CD1 4.34Å; Y811-F817 HydrophobicContact CD2-CE1 4.13Å; Y811-F817 AromaticContact CE1-CD1 3.96Å; Y811-F817 HydrophobicContact CE1-CD1 3.96Å; Y811-F817 HydrophobicContact CE1-CE1 4.12Å; Y811-F817 HydrophobicContact CE2-CD1 4.05Å; Y811-F817 AromaticContact CE2-CE1 3.39Å; Y811-F817 HydrophobicContact CE2-CE1 3.39Å; Y811-F817 HydrophobicContact CE2-CZ 4.27Å; Y811-F817 AromaticContact CZ-CD1 3.68Å; Y811-F817 AromaticContact CZ-CE1 3.37Å; Y811-F817 WeakPolarHBondContact OH-CE1 3.28Å; F817-D821 WeakPolarHBondContact CA-OD2 3.34Å; F817-D821 HydrophobicContact CB-CB 4.07Å; F817-D821 WeakPolarHBondContact CB-OD2 3.28Å; F817-L822 HydrophobicContact CD2-CB 4.23Å; F817-L822 HydrophobicContact CE2-CB 3.94Å; F817-L822 HydrophobicContact CE2-CD2 3.96Å; F817-L822 HydrophobicContact CE2-CG 4.44Å; F817-L822 HydrophobicContact CZ-CD2 4.2Å; F817-R853 CarbonylContact O-C 3.54Å; F817-R853 WeakPolarHBondContact O-CA 3.14Å; F817-Y854 HydrophobicContact CD2-CD2 4.02Å; F817-Y854 HydrophobicContact CD2-CG 4.29Å; F817-Y854 AromaticContact CE2-CD2 3.86Å; F817-Y854 HydrophobicContact CE2-CD2 3.86Å; F817-Y854 AromaticContact CE2-CG 3.9Å; F817-Y854 HydrophobicContact CE2-CG 3.9Å; F817-Y854 PolarHBondContact N-O 2.75Å; F817-Y854 PolarHBondContact O-N 3.33Å
818	K	92.6	Very high	89.2	Confident	108 Å²	108	54.1 Å²	54.1	47%	0.47	29%	0.285	S	S	.	.			trans	-94.3	162.6	164.8	-59.2	173.1	178.7	171.9	0	109.5	K820 D821 L822 R853	K818-K820 PolarHBondContact O-N 2.72Å; K818-K820 VanDerWaalsContact O-N 3.11Å; K818-D821 WeakPolarHBondContact CB-OD1 3.37Å; K818-D821 VanDerWaalsContact N-CG 3.32Å; K818-D821 PolarHBondContact N-OD2 3Å; K818-D821 WeakPolarHBondContact O-CB 3.39Å; K818-D821 PolarHBondContact O-N 3.26Å; K818-D821 VanDerWaalsContact O-N 3.08Å; K818-L822 PolarHBondContact O-N 2.85Å; K818-R853 HydrophobicContact CG-CG 4.41Å
819	M	90.8	Very high	88.7	Confident	30 Å²	30	56.6 Å²	56.6	15%	0.148	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-29.9	179.5	-172.1	61.8	71.6	0	0	113.1	L822 Q823 F829 I843 Y854	M819-L822 PolarHBondContact O-N 2.83Å; M819-L822 HydrophobicContact SD-CD2 4.23Å; M819-Q823 VanDerWaalsContact O-CG 3.28Å; M819-Q823 WeakPolarHBondContact O-CG 3.14Å; M819-Q823 PolarHBondContact O-N 2.73Å; M819-F829 HydrophobicContact CG-CZ 4.31Å; M819-F829 HydrophobicContact SD-CE2 4.19Å; M819-F829 HydrophobicContact SD-CZ 3.56Å; M819-F829 VanDerWaalsContact SD-CZ 3.56Å; M819-I843 HydrophobicContact CE-CD1 3.82Å; M819-I843 HydrophobicContact SD-CD1 4.19Å; M819-Y854 HydrophobicContact CB-CE2 4.28Å; M819-Y854 HydrophobicContact CE-CE2 3.75Å; M819-Y854 VanDerWaalsContact CE-OH 3.24Å; M819-Y854 WeakPolarHBondContact CE-OH 3.36Å
820	K	89.8	Confident	88.2	Confident	139 Å²	139	57.2 Å²	57.2	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-62.4	-46.3	175.4	-69.5	-164.3	172.3	-162.5	0	112.3	K818 L822 Q823 E824	K818-K820 PolarHBondContact O-N 2.72Å; K818-K820 VanDerWaalsContact O-N 3.11Å; K820-L822 PolarHBondContact O-N 3.35Å; K820-Q823 CarbonylContact O-C 3.55Å; K820-Q823 WeakPolarHBondContact O-CA 3.4Å; K820-Q823 WeakPolarHBondContact O-CB 3.33Å; K820-Q823 PolarHBondContact O-N 2.74Å; K820-E824 WeakPolarHBondContact O-CG 3.26Å; K820-E824 PolarHBondContact O-N 3.3Å
821	D	91	Very high	87.8	Confident	37 Å²	37	57.4 Å²	57.4	20%	0.198	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-32.1	-179.4	-29.5	-3.9	0	0	0	111.1	F817 K818 K825 R853	F817-D821 WeakPolarHBondContact CA-OD2 3.34Å; F817-D821 HydrophobicContact CB-CB 4.07Å; F817-D821 WeakPolarHBondContact CB-OD2 3.28Å; K818-D821 WeakPolarHBondContact CB-OD1 3.37Å; K818-D821 VanDerWaalsContact N-CG 3.32Å; K818-D821 PolarHBondContact N-OD2 3Å; K818-D821 WeakPolarHBondContact O-CB 3.39Å; K818-D821 PolarHBondContact O-N 3.26Å; K818-D821 VanDerWaalsContact O-N 3.08Å; D821-K825 PolarHBondContact O-N 3.06Å; D821-R853 IonicContact OD2-NH2 3.97Å
822	L	89.7	Confident	87.3	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-77.9	-32.5	172.5	-178.3	63.7	0	0	0	113.1	F803 I806 I807 L810 F817 K818 M819 K820 C826 F829 I843	F803-L822 HydrophobicContact CE2-CD1 4.06Å; F803-L822 HydrophobicContact CE2-CD2 4.09Å; F803-L822 HydrophobicContact CE2-CG 4.11Å; F803-L822 HydrophobicContact CZ-CD2 3.91Å; F803-L822 HydrophobicContact CZ-CG 4.44Å; I806-L822 HydrophobicContact CG2-CD1 3.94Å; I807-L822 HydrophobicContact CG1-CD1 3.74Å; I807-L822 HydrophobicContact CG1-CD2 4.33Å; L810-L822 HydrophobicContact CD1-CB 4.13Å; L810-L822 HydrophobicContact CD1-CD1 3.55Å; L810-L822 HydrophobicContact CD1-CG 4.45Å; F817-L822 HydrophobicContact CD2-CB 4.23Å; F817-L822 HydrophobicContact CE2-CB 3.94Å; F817-L822 HydrophobicContact CE2-CD2 3.96Å; F817-L822 HydrophobicContact CE2-CG 4.44Å; F817-L822 HydrophobicContact CZ-CD2 4.2Å; K818-L822 PolarHBondContact O-N 2.85Å; M819-L822 PolarHBondContact O-N 2.83Å; M819-L822 HydrophobicContact SD-CD2 4.23Å; K820-L822 PolarHBondContact O-N 3.35Å; L822-C826 WeakPolarHBondContact O-CB 3.4Å; L822-C826 PolarHBondContact O-N 2.88Å; L822-F829 HydrophobicContact CD2-CE2 4.29Å; L822-F829 HydrophobicContact CG-CE2 4.15Å; L822-I843 HydrophobicContact CD2-CD1 3.73Å; L822-I843 HydrophobicContact CD2-CG1 4.19Å
823	Q	88.9	Confident	86.8	Confident	86 Å²	86	65.3 Å²	65.3	40%	0.402	36%	0.357	S	S	.	.	H	α-helix	trans	-68.3	-39.8	172.4	-72	170.5	-39.7	0	0	111.5	M819 K820 C826 F829	M819-Q823 VanDerWaalsContact O-CG 3.28Å; M819-Q823 WeakPolarHBondContact O-CG 3.14Å; M819-Q823 PolarHBondContact O-N 2.73Å; K820-Q823 CarbonylContact O-C 3.55Å; K820-Q823 WeakPolarHBondContact O-CA 3.4Å; K820-Q823 WeakPolarHBondContact O-CB 3.33Å; K820-Q823 PolarHBondContact O-N 2.74Å; Q823-C826 PolarHBondContact O-N 3.06Å; Q823-F829 HydrophobicContact CB-CD2 4.42Å; Q823-F829 HydrophobicContact CB-CG 4.44Å; Q823-F829 HydrophobicContact CG-CD1 3.62Å; Q823-F829 HydrophobicContact CG-CD2 3.76Å; Q823-F829 HydrophobicContact CG-CE1 3.57Å; Q823-F829 HydrophobicContact CG-CE2 3.71Å; Q823-F829 HydrophobicContact CG-CG 3.72Å; Q823-F829 HydrophobicContact CG-CZ 3.61Å; Q823-F829 VanDerWaalsContact NE2-CE1 3.29Å
824	E	89.6	Confident	86.6	Confident	152 Å²	152	63.5 Å²	63.5	71%	0.71	34%	0.341	S	S	*	.	H	α-helix	trans	-70.2	-32.7	-178.7	-72.3	163.6	-157	0	0	112.5	K820	K820-E824 WeakPolarHBondContact O-CG 3.26Å; K820-E824 PolarHBondContact O-N 3.3Å
825	K	88.8	Confident	86.3	Confident	98 Å²	98	64 Å²	64	43%	0.426	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.9	172.6	-71.9	-160.5	-174.8	177.6	0	114.8	I806 L810 S813 D821	I806-K825 HydrophobicContact CG2-CB 3.83Å; L810-K825 HydrophobicContact CD2-CD 3.7Å; L810-K825 HydrophobicContact CD2-CG 4.42Å; L810-K825 HydrophobicContact CG-CD 3.96Å; S813-K825 PolarHBondContact OG-NZ 3.37Å; D821-K825 PolarHBondContact O-N 3.06Å
826	C	86.1	Confident	86.1	Confident	14 Å²	14	65.4 Å²	65.4	10%	0.095	36%	0.355	C	S	.	.			trans	-109.9	115.3	-174.6	-169.8	0	0	0	0	112	I806 L822 Q823 V828 F829	I806-C826 HydrophobicContact CD1-CB 4.46Å; L822-C826 WeakPolarHBondContact O-CB 3.4Å; L822-C826 PolarHBondContact O-N 2.88Å; Q823-C826 PolarHBondContact O-N 3.06Å; C826-V828 VanDerWaalsContact C-N 3.25Å; C826-V828 PolarHBondContact O-N 2.84Å; C826-V828 PolarHBondContact SG-O 3.04Å; C826-V828 VanDerWaalsContact SG-O 3.36Å; C826-F829 HydrophobicContact CB-CD2 4.11Å
827	P	80.2	Confident	85.9	Confident	112 Å²	112	72.8 Å²	72.8	73%	0.727	39%	0.386	S	S	*	.	S	Bend	trans	-69.5	-18.6	-172.1	27.9	-35.9	0	0	0	114.3
828	V	79.4	Confident	85.6	Confident	70 Å²	70	74.7 Å²	74.7	42%	0.424	40%	0.401	S	S	.	.	S	Bend	trans	-140.2	108	174.2	-173.9	0	0	0	0	108.5	C826 P830 K832	C826-V828 VanDerWaalsContact C-N 3.25Å; C826-V828 PolarHBondContact O-N 2.84Å; C826-V828 PolarHBondContact SG-O 3.04Å; C826-V828 VanDerWaalsContact SG-O 3.36Å; V828-P830 CarbonylContact C-O 3.49Å; V828-P830 CarbonylContact O-C 3.57Å; V828-P830 VanDerWaalsContact O-C 3.23Å; V828-K832 HydrophobicContact CG1-CG 4.11Å
829	F	82.1	Confident	85.5	Confident	52 Å²	52	69.5 Å²	69.5	23%	0.228	38%	0.379	C	S	.	.	S	Bend	trans	-122.7	118.2	-174.6	-168.6	-79.6	0	0	0	111.2	F803 M819 L822 Q823 C826 M839	F803-F829 HydrophobicContact CE2-CD2 4.25Å; F803-F829 HydrophobicContact CE2-CE2 4.12Å; F803-F829 HydrophobicContact CZ-CE2 4.32Å; M819-F829 HydrophobicContact CG-CZ 4.31Å; M819-F829 HydrophobicContact SD-CE2 4.19Å; M819-F829 HydrophobicContact SD-CZ 3.56Å; M819-F829 VanDerWaalsContact SD-CZ 3.56Å; L822-F829 HydrophobicContact CD2-CE2 4.29Å; L822-F829 HydrophobicContact CG-CE2 4.15Å; Q823-F829 HydrophobicContact CB-CD2 4.42Å; Q823-F829 HydrophobicContact CB-CG 4.44Å; Q823-F829 HydrophobicContact CG-CD1 3.62Å; Q823-F829 HydrophobicContact CG-CD2 3.76Å; Q823-F829 HydrophobicContact CG-CE1 3.57Å; Q823-F829 HydrophobicContact CG-CE2 3.71Å; Q823-F829 HydrophobicContact CG-CG 3.72Å; Q823-F829 HydrophobicContact CG-CZ 3.61Å; Q823-F829 VanDerWaalsContact NE2-CE1 3.29Å; C826-F829 HydrophobicContact CB-CD2 4.11Å; F829-M839 HydrophobicContact CD1-CE 4.46Å; F829-M839 HydrophobicContact CD1-SD 4.26Å; F829-M839 HydrophobicContact CD2-SD 4.19Å; F829-M839 HydrophobicContact CE1-CE 3.5Å; F829-M839 HydrophobicContact CE1-SD 3.69Å; F829-M839 HydrophobicContact CE2-CE 4.28Å; F829-M839 HydrophobicContact CE2-SD 3.62Å; F829-M839 HydrophobicContact CG-SD 4.48Å; F829-M839 HydrophobicContact CZ-CE 3.38Å; F829-M839 HydrophobicContact CZ-SD 3.33Å; F829-M839 WeakPolarHBondContact CZ-SD 3.49Å
830	P	80.6	Confident	85.4	Confident	51 Å²	51	73.1 Å²	73.1	33%	0.331	39%	0.391	S	S	.	.	S	Bend	cis	-68.9	162	-3	32.4	-38	0	0	0	112.7	V828 M834 M839	V828-P830 CarbonylContact C-O 3.49Å; V828-P830 CarbonylContact O-C 3.57Å; V828-P830 VanDerWaalsContact O-C 3.23Å; P830-M834 WeakPolarHBondContact CB-O 3.26Å; P830-M834 WeakPolarHBondContact CG-O 3.39Å; P830-M839 HydrophobicContact CB-CB 4.4Å; P830-M839 HydrophobicContact CB-CE 4.36Å; P830-M839 HydrophobicContact CB-SD 3.59Å; P830-M839 VanDerWaalsContact CB-SD 3.59Å
831	P	82	Confident	85.3	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.032	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-55.5	146.3	176.5	-25.5	34.3	0	0	0	113	P799 F803 G833 M834	P799-P831 HydrophobicContact CB-CB 4.32Å; F803-P831 HydrophobicContact CB-CB 4.44Å; F803-P831 HydrophobicContact CB-CG 3.66Å; F803-P831 HydrophobicContact CD1-CG 3.74Å; F803-P831 HydrophobicContact CD2-CG 3.6Å; F803-P831 HydrophobicContact CE1-CG 4.21Å; F803-P831 HydrophobicContact CE2-CG 4.1Å; F803-P831 HydrophobicContact CG-CG 3.39Å; F803-P831 HydrophobicContact CZ-CG 4.37Å; P831-G833 PolarHBondContact O-N 3Å; P831-M834 HydrophobicContact CB-CB 4.32Å; P831-M834 HydrophobicContact CG-SD 4.42Å; P831-M834 WeakPolarHBondContact O-CB 3.25Å; P831-M834 PolarHBondContact O-N 2.84Å
832	K	79.8	Confident	85.2	Confident	149 Å²	149	69 Å²	69	65%	0.648	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.7	178.7	-67.3	-177	-179.9	175.1	0	110.8	P799 V828 M834	P799-K832 HydrophobicContact CB-CB 4.38Å; P799-K832 HydrophobicContact CG-CB 4.2Å; V828-K832 HydrophobicContact CG1-CG 4.11Å; K832-M834 VanDerWaalsContact C-N 3.33Å
833	G	79	Confident	85.3	Confident	89 Å²	89	69 Å²	69	92%	0.918	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-11.6	-175.8	0	0	0	0	0	115.1	P831	P831-G833 PolarHBondContact O-N 3Å
834	M	82.9	Confident	85.3	Confident	23 Å²	23	71.8 Å²	71.8	11%	0.113	39%	0.389	C	S	.	.			trans	-106.4	119.5	-176.4	-168.4	174.6	-88.8	0	0	111.7	I800 P830 P831 K832 A838 M839 F842	I800-M834 HydrophobicContact CD1-CE 3.73Å; I800-M834 HydrophobicContact CG1-CE 3.86Å; I800-M834 HydrophobicContact CG2-CE 3.93Å; P830-M834 WeakPolarHBondContact CB-O 3.26Å; P830-M834 WeakPolarHBondContact CG-O 3.39Å; P831-M834 HydrophobicContact CB-CB 4.32Å; P831-M834 HydrophobicContact CG-SD 4.42Å; P831-M834 WeakPolarHBondContact O-CB 3.25Å; P831-M834 PolarHBondContact O-N 2.84Å; K832-M834 VanDerWaalsContact C-N 3.33Å; M834-A838 HydrophobicContact CG-CB 3.71Å; M834-M839 HydrophobicContact CG-CB 3.94Å; M834-M839 WeakPolarHBondContact SD-CA 3.21Å; M834-M839 HydrophobicContact SD-CB 3.69Å; M834-M839 HydrophobicContact SD-CG 4.24Å; M834-F842 HydrophobicContact CE-CB 4.01Å; M834-F842 HydrophobicContact CE-CD2 4.05Å; M834-F842 HydrophobicContact CE-CG 3.96Å; M834-F842 HydrophobicContact SD-CB 4.24Å
835	S	85.4	Confident	85.2	Confident	74 Å²	74	68.1 Å²	68.1	52%	0.517	37%	0.372	S	S	.	.			trans	-68.8	155.1	170.9	66.9	0	0	0	0	111.5	K837 A838 M839	S835-K837 PolarHBondContact O-N 2.89Å; S835-K837 VanDerWaalsContact O-N 3.16Å; S835-A838 CarbonylContact O-C 3.59Å; S835-A838 WeakPolarHBondContact O-CA 3.49Å; S835-A838 WeakPolarHBondContact O-CB 3.33Å; S835-A838 PolarHBondContact O-N 2.81Å; S835-A838 WeakPolarHBondContact OG-CB 3.35Å; S835-A838 PolarHBondContact OG-N 2.85Å; S835-M839 PolarHBondContact O-N 2.81Å
836	D	85.1	Confident	85.3	Confident	72 Å²	72	63.5 Å²	63.5	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-53.1	-37.9	176	173.1	87.2	0	0	0	112.7	M839 R840	D836-M839 PolarHBondContact O-N 2.84Å; D836-M839 WeakPolarHBondContact OD1-CE 3.37Å; D836-R840 VanDerWaalsContact CG-NE 3.27Å; D836-R840 WeakPolarHBondContact O-CB 3.49Å; D836-R840 VanDerWaalsContact O-CG 3.31Å; D836-R840 WeakPolarHBondContact O-CG 3.28Å; D836-R840 PolarHBondContact O-N 2.76Å; D836-R840 IonicContact OD1-CZ 3.27Å; D836-R840 VanDerWaalsContact OD1-CZ 3.27Å; D836-R840 IonicContact OD1-NE 2.76Å; D836-R840 PolarHBondContact OD1-NE 3.5Å; D836-R840 IonicContact OD1-NH2 2.7Å; D836-R840 PolarHBondContact OD1-NH2 2.96Å; D836-R840 IonicContact OD2-CZ 3.62Å; D836-R840 IonicContact OD2-NE 3.07Å; D836-R840 PolarHBondContact OD2-NE 3.38Å; D836-R840 IonicContact OD2-NH2 3.6Å
837	K	87.2	Confident	85.6	Confident	168 Å²	168	63 Å²	63	73%	0.73	35%	0.348	S	S	*	.	H	α-helix	trans	-64.4	-43.3	174.2	-174.3	-176.6	176.8	-172.9	0	112.2	S835 T841	S835-K837 PolarHBondContact O-N 2.89Å; S835-K837 VanDerWaalsContact O-N 3.16Å; K837-T841 WeakPolarHBondContact O-CB 3.26Å; K837-T841 PolarHBondContact O-N 2.89Å; K837-T841 VanDerWaalsContact O-N 3.15Å; K837-T841 PolarHBondContact O-OG1 2.88Å
838	A	86.5	Confident	86.1	Confident	39 Å²	39	58.2 Å²	58.2	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-65.2	-44.9	175.5	0	0	0	0	0	111.3	M834 S835 R840 T841 F842	M834-A838 HydrophobicContact CG-CB 3.71Å; S835-A838 CarbonylContact O-C 3.59Å; S835-A838 WeakPolarHBondContact O-CA 3.49Å; S835-A838 WeakPolarHBondContact O-CB 3.33Å; S835-A838 PolarHBondContact O-N 2.81Å; S835-A838 WeakPolarHBondContact OG-CB 3.35Å; S835-A838 PolarHBondContact OG-N 2.85Å; A838-R840 PolarHBondContact O-N 3.49Å; A838-T841 CarbonylContact O-C 3.55Å; A838-T841 WeakPolarHBondContact O-CA 3.42Å; A838-T841 WeakPolarHBondContact O-CB 3.18Å; A838-T841 PolarHBondContact O-N 2.76Å; A838-F842 PolarHBondContact O-N 2.83Å
839	M	89.8	Confident	86.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-46	175.6	-178.2	-168.2	65.7	0	0	112.5	F803 F829 P830 M834 S835 D836 T841 F842 I843	F803-M839 HydrophobicContact CE1-CG 3.72Å; F803-M839 HydrophobicContact CZ-CG 3.62Å; F803-M839 HydrophobicContact CZ-SD 4.02Å; F829-M839 HydrophobicContact CD1-CE 4.46Å; F829-M839 HydrophobicContact CD1-SD 4.26Å; F829-M839 HydrophobicContact CD2-SD 4.19Å; F829-M839 HydrophobicContact CE1-CE 3.5Å; F829-M839 HydrophobicContact CE1-SD 3.69Å; F829-M839 HydrophobicContact CE2-CE 4.28Å; F829-M839 HydrophobicContact CE2-SD 3.62Å; F829-M839 HydrophobicContact CG-SD 4.48Å; F829-M839 HydrophobicContact CZ-CE 3.38Å; F829-M839 HydrophobicContact CZ-SD 3.33Å; F829-M839 WeakPolarHBondContact CZ-SD 3.49Å; P830-M839 HydrophobicContact CB-CB 4.4Å; P830-M839 HydrophobicContact CB-CE 4.36Å; P830-M839 HydrophobicContact CB-SD 3.59Å; P830-M839 VanDerWaalsContact CB-SD 3.59Å; M834-M839 HydrophobicContact CG-CB 3.94Å; M834-M839 WeakPolarHBondContact SD-CA 3.21Å; M834-M839 HydrophobicContact SD-CB 3.69Å; M834-M839 HydrophobicContact SD-CG 4.24Å; S835-M839 PolarHBondContact O-N 2.81Å; D836-M839 PolarHBondContact O-N 2.84Å; D836-M839 WeakPolarHBondContact OD1-CE 3.37Å; M839-T841 PolarHBondContact O-N 2.79Å; M839-F842 PolarHBondContact O-N 3.05Å; M839-I843 HydrophobicContact CG-CD1 4.03Å; M839-I843 VanDerWaalsContact O-CG1 3.29Å; M839-I843 WeakPolarHBondContact O-CG1 3.43Å; M839-I843 PolarHBondContact O-N 2.94Å
840	R	88.9	Confident	86.9	Confident	106 Å²	106	60 Å²	60	40%	0.4	32%	0.318	S	S	.	.	H	α-helix	trans	-66.8	-16.4	173.8	-69.9	178.2	-159.9	-79.3	-14.9	113.6	D836 A838 K844	D836-R840 VanDerWaalsContact CG-NE 3.27Å; D836-R840 WeakPolarHBondContact O-CB 3.49Å; D836-R840 VanDerWaalsContact O-CG 3.31Å; D836-R840 WeakPolarHBondContact O-CG 3.28Å; D836-R840 PolarHBondContact O-N 2.76Å; D836-R840 IonicContact OD1-CZ 3.27Å; D836-R840 VanDerWaalsContact OD1-CZ 3.27Å; D836-R840 IonicContact OD1-NE 2.76Å; D836-R840 PolarHBondContact OD1-NE 3.5Å; D836-R840 IonicContact OD1-NH2 2.7Å; D836-R840 PolarHBondContact OD1-NH2 2.96Å; D836-R840 IonicContact OD2-CZ 3.62Å; D836-R840 IonicContact OD2-NE 3.07Å; D836-R840 PolarHBondContact OD2-NE 3.38Å; D836-R840 IonicContact OD2-NH2 3.6Å; A838-R840 PolarHBondContact O-N 3.49Å; R840-K844 WeakPolarHBondContact O-CD 3.27Å; R840-K844 VanDerWaalsContact O-CG 3.28Å; R840-K844 WeakPolarHBondContact O-CG 3.27Å
841	T	88.3	Confident	87.1	Confident	80 Å²	80	65.3 Å²	65.3	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-87.5	-41.2	174.1	-54.6	0	0	0	0	109.9	K837 A838 M839 K844 Q845	K837-T841 WeakPolarHBondContact O-CB 3.26Å; K837-T841 PolarHBondContact O-N 2.89Å; K837-T841 VanDerWaalsContact O-N 3.15Å; K837-T841 PolarHBondContact O-OG1 2.88Å; A838-T841 CarbonylContact O-C 3.55Å; A838-T841 WeakPolarHBondContact O-CA 3.42Å; A838-T841 WeakPolarHBondContact O-CB 3.18Å; A838-T841 PolarHBondContact O-N 2.76Å; M839-T841 PolarHBondContact O-N 2.79Å; T841-K844 WeakPolarHBondContact O-CB 3.35Å; T841-K844 PolarHBondContact O-N 3.05Å; T841-Q845 PolarHBondContact O-N 2.72Å
842	F	88.9	Confident	87.4	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.035	36%	0.357	C	S	.	.	H	α-helix	trans	-59.8	-49.1	172.3	-166.6	-99.9	0	0	0	112	I800 F803 R804 I807 M834 A838 M839 K844 Q845 Y846	I800-F842 HydrophobicContact CG2-CD2 4.38Å; I800-F842 HydrophobicContact CG2-CE1 4.34Å; I800-F842 HydrophobicContact CG2-CE2 3.71Å; I800-F842 HydrophobicContact CG2-CZ 3.68Å; F803-F842 AromaticContact CD1-CD1 3.76Å; F803-F842 HydrophobicContact CD1-CD1 3.76Å; F803-F842 AromaticContact CD1-CE1 3.95Å; F803-F842 HydrophobicContact CD1-CE1 3.95Å; F803-F842 AromaticContact CE1-CD1 3.99Å; F803-F842 HydrophobicContact CE1-CD1 3.99Å; R804-F842 HydrophobicContact CB-CE1 4.11Å; R804-F842 HydrophobicContact CB-CZ 4.02Å; I807-F842 HydrophobicContact CD1-CD1 4.38Å; I807-F842 HydrophobicContact CD1-CE1 4.45Å; M834-F842 HydrophobicContact CE-CB 4.01Å; M834-F842 HydrophobicContact CE-CD2 4.05Å; M834-F842 HydrophobicContact CE-CG 3.96Å; M834-F842 HydrophobicContact SD-CB 4.24Å; A838-F842 PolarHBondContact O-N 2.83Å; M839-F842 PolarHBondContact O-N 3.05Å; F842-K844 PolarHBondContact O-N 2.77Å; F842-K844 VanDerWaalsContact O-N 3.14Å; F842-Q845 VanDerWaalsContact CD2-OE1 3.29Å; F842-Q845 VanDerWaalsContact O-CB 3.29Å; F842-Q845 WeakPolarHBondContact O-CB 3.4Å; F842-Q845 PolarHBondContact O-N 2.92Å; F842-Y846 HydrophobicContact CD1-CD2 4.44Å; F842-Y846 HydrophobicContact CD1-CE2 4.16Å; F842-Y846 HydrophobicContact CE1-CD2 4.26Å; F842-Y846 AromaticContact CE1-CE2 3.68Å; F842-Y846 HydrophobicContact CE1-CE2 3.68Å; F842-Y846 HydrophobicContact CE2-CE2 4.07Å; F842-Y846 AromaticContact CZ-CE2 3.63Å; F842-Y846 HydrophobicContact CZ-CE2 3.63Å; F842-Y846 WeakPolarHBondContact O-CD2 3.31Å
843	I	91	Very high	87.9	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-56.1	-34.8	175.6	-67.1	165	0	0	0	111.6	F803 I807 M819 L822 M839 Q845 Y846 C847 Y854	F803-I843 HydrophobicContact CE1-CD1 4.49Å; F803-I843 HydrophobicContact CE1-CG1 4.11Å; F803-I843 HydrophobicContact CZ-CD1 4.12Å; F803-I843 HydrophobicContact CZ-CG1 4.16Å; I807-I843 HydrophobicContact CD1-CG1 4.14Å; M819-I843 HydrophobicContact CE-CD1 3.82Å; M819-I843 HydrophobicContact SD-CD1 4.19Å; L822-I843 HydrophobicContact CD2-CD1 3.73Å; L822-I843 HydrophobicContact CD2-CG1 4.19Å; M839-I843 HydrophobicContact CG-CD1 4.03Å; M839-I843 VanDerWaalsContact O-CG1 3.29Å; M839-I843 WeakPolarHBondContact O-CG1 3.43Å; M839-I843 PolarHBondContact O-N 2.94Å; I843-Q845 VanDerWaalsContact C-N 3.3Å; I843-Q845 PolarHBondContact O-N 3.28Å; I843-Y846 PolarHBondContact O-N 2.91Å; I843-C847 HydrophobicContact CG2-CB 4.06Å; I843-C847 WeakPolarHBondContact O-CA 3.36Å; I843-C847 VanDerWaalsContact O-CB 3.23Å; I843-C847 WeakPolarHBondContact O-CB 3.45Å; I843-C847 PolarHBondContact O-N 2.84Å; I843-Y854 HydrophobicContact CG2-CD1 3.78Å; I843-Y854 HydrophobicContact CG2-CE1 3.75Å
844	K	89.7	Confident	88.6	Confident	143 Å²	143	60.9 Å²	60.9	62%	0.622	30%	0.302	S	S	*	.	H	α-helix	trans	-71.9	-19.4	177.5	-74.4	173.1	179.1	-176.6	0	114.4	R840 T841 F842 Y846 R857	R840-K844 WeakPolarHBondContact O-CD 3.27Å; R840-K844 VanDerWaalsContact O-CG 3.28Å; R840-K844 WeakPolarHBondContact O-CG 3.27Å; T841-K844 WeakPolarHBondContact O-CB 3.35Å; T841-K844 PolarHBondContact O-N 3.05Å; F842-K844 PolarHBondContact O-N 2.77Å; F842-K844 VanDerWaalsContact O-N 3.14Å; K844-Y846 VanDerWaalsContact C-N 3.31Å; K844-R857 PolarHBondContact O-NE 2.75Å
845	Q	88.2	Confident	89.1	Confident	76 Å²	76	60 Å²	60	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-69.9	-31.6	172.6	-65.1	173.7	-62.6	0	0	111	P707 T841 F842 I843 R857	P707-Q845 HydrophobicContact CG-CB 4.18Å; P707-Q845 WeakPolarHBondContact CG-O 3.4Å; T841-Q845 PolarHBondContact O-N 2.72Å; F842-Q845 VanDerWaalsContact CD2-OE1 3.29Å; F842-Q845 VanDerWaalsContact O-CB 3.29Å; F842-Q845 WeakPolarHBondContact O-CB 3.4Å; F842-Q845 PolarHBondContact O-N 2.92Å; I843-Q845 VanDerWaalsContact C-N 3.3Å; I843-Q845 PolarHBondContact O-N 3.28Å; Q845-R857 VanDerWaalsContact O-CD 3.31Å; Q845-R857 WeakPolarHBondContact O-CD 3.23Å
846	Y	90.3	Very high	89.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-102.4	-26.9	179.4	-60.7	-88.4	0	0	0	114.1	P707 I708 E792 R804 L808 F842 I843 K844 R857	P707-Y846 HydrophobicContact CB-CD1 4.16Å; P707-Y846 HydrophobicContact CB-CE1 3.65Å; I708-Y846 HydrophobicContact CD1-CD1 3.93Å; I708-Y846 HydrophobicContact CD1-CG 4.47Å; I708-Y846 WeakPolarHBondContact CD1-O 3.38Å; I708-Y846 HydrophobicContact CG1-CD1 4.02Å; E792-Y846 WeakPolarHBondContact CG-OH 3.36Å; E792-Y846 PolarHBondContact OE1-OH 3.41Å; R804-Y846 HydrophobicContact CG-CE1 4.17Å; R804-Y846 PolarHBondContact NE-OH 3.32Å; L808-Y846 HydrophobicContact CD2-CD1 4.37Å; F842-Y846 HydrophobicContact CD1-CD2 4.44Å; F842-Y846 HydrophobicContact CD1-CE2 4.16Å; F842-Y846 HydrophobicContact CE1-CD2 4.26Å; F842-Y846 AromaticContact CE1-CE2 3.68Å; F842-Y846 HydrophobicContact CE1-CE2 3.68Å; F842-Y846 HydrophobicContact CE2-CE2 4.07Å; F842-Y846 AromaticContact CZ-CE2 3.63Å; F842-Y846 HydrophobicContact CZ-CE2 3.63Å; F842-Y846 WeakPolarHBondContact O-CD2 3.31Å; I843-Y846 PolarHBondContact O-N 2.91Å; K844-Y846 VanDerWaalsContact C-N 3.31Å; Y846-R857 PolarHBondContact O-N 3.27Å
847	C	92	Very high	89.7	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.6	-166.1	-49.3	0	0	0	0	114.2	Y811 I843 Y854 F855	Y811-C847 PolarHBondContact OH-SG 3.33Å; I843-C847 HydrophobicContact CG2-CB 4.06Å; I843-C847 WeakPolarHBondContact O-CA 3.36Å; I843-C847 VanDerWaalsContact O-CB 3.23Å; I843-C847 WeakPolarHBondContact O-CB 3.45Å; I843-C847 PolarHBondContact O-N 2.84Å; C847-Y854 HydrophobicContact CB-CD1 3.97Å; C847-F855 CarbonylContact C-O 3.57Å; C847-F855 WeakPolarHBondContact CA-O 3.42Å
848	I	91	Very high	89.8	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.062	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.9	168.1	-50.6	175.8	0	0	0	107.9	R850 Y854 F855 R857 V860	I848-R850 HydrophobicContact CG2-CG 4.11Å; I848-Y854 WeakPolarHBondContact O-CA 3.35Å; I848-F855 PolarHBondContact N-O 3.15Å; I848-F855 PolarHBondContact O-N 2.77Å; I848-R857 HydrophobicContact CD1-CG 4.25Å; I848-R857 HydrophobicContact CG1-CG 3.7Å; I848-V860 WeakPolarHBondContact CD1-O 3.38Å
849	F	90.9	Very high	90	Very high	119 Å²	119	48.8 Å²	48.8	52%	0.522	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.3	178	-176.8	-105.1	0	0	0	111.1	R853 Y854	F849-R853 WeakPolarHBondContact CA-O 3.37Å; F849-R853 VanDerWaalsContact CD2-O 3.26Å; F849-R853 WeakPolarHBondContact CD2-O 3.38Å; F849-Y854 HydrophobicContact CB-CD1 4.06Å; F849-Y854 HydrophobicContact CB-CE1 3.86Å; F849-Y854 AromaticContact CD2-CD1 3.83Å; F849-Y854 HydrophobicContact CD2-CD1 3.83Å; F849-Y854 AromaticContact CD2-CD2 3.91Å; F849-Y854 HydrophobicContact CD2-CD2 3.91Å; F849-Y854 AromaticContact CD2-CE1 3.54Å; F849-Y854 HydrophobicContact CD2-CE1 3.54Å; F849-Y854 AromaticContact CD2-CE2 3.61Å; F849-Y854 HydrophobicContact CD2-CE2 3.61Å; F849-Y854 AromaticContact CD2-CG 4Å; F849-Y854 HydrophobicContact CD2-CG 4Å; F849-Y854 AromaticContact CD2-CZ 3.41Å; F849-Y854 VanDerWaalsContact CD2-CZ 3.41Å; F849-Y854 HydrophobicContact CE2-CD2 4.25Å; F849-Y854 HydrophobicContact CE2-CE1 4.43Å; F849-Y854 AromaticContact CE2-CE2 3.76Å; F849-Y854 HydrophobicContact CE2-CE2 3.76Å; F849-Y854 AromaticContact CE2-CZ 3.86Å; F849-Y854 HydrophobicContact CG-CD1 4.41Å; F849-Y854 HydrophobicContact CG-CE1 4.03Å
850	R	86.7	Confident	89.9	Confident	41 Å²	41	48.9 Å²	48.9	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.2	-179.3	-73.6	174.9	179.5	-109.5	-25.3	110.2	I848 G852 R853 F855 S861 D862 D863	I848-R850 HydrophobicContact CG2-CG 4.11Å; R850-G852 PolarHBondContact O-N 3.01Å; R850-R853 PolarHBondContact N-O 3.38Å; R850-R853 PolarHBondContact O-N 3.25Å; R850-F855 HydrophobicContact CB-CD2 4.13Å; R850-F855 HydrophobicContact CB-CE2 3.98Å; R850-S861 PolarHBondContact NE-O 3.19Å; R850-S861 VanDerWaalsContact NE-O 3.14Å; R850-S861 PolarHBondContact NH2-O 3.3Å; R850-D862 PolarHBondContact NH2-O 2.91Å; R850-D863 PolarHBondContact NH1-O 3.25Å; R850-D863 PolarHBondContact NH2-O 2.85Å; R850-D863 PolarHBondContact NH2-OXT 3.31Å
851	H	85.3	Confident	89.7	Confident	161 Å²	161	45.4 Å²	45.4	75%	0.745	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	32.4	174	-49	122.7	0	0	0	115.4
852	G	87.9	Confident	89.1	Confident	43 Å²	43	45.9 Å²	45.9	44%	0.443	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	7.3	-178.8	0	0	0	0	0	115.7	R850	R850-G852 PolarHBondContact O-N 3.01Å
853	R	91.8	Very high	87.8	Confident	78 Å²	78	54.6 Å²	54.6	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	158.3	178.6	-53.8	-174.1	73.7	93.2	9.9	111.3	S816 F817 K818 D821 F849 R850 F855	S816-R853 PolarHBondContact O-NH2 3.32Å; S816-R853 WeakPolarHBondContact OG-CD 3.3Å; S816-R853 PolarHBondContact OG-NE 2.8Å; F817-R853 CarbonylContact O-C 3.54Å; F817-R853 WeakPolarHBondContact O-CA 3.14Å; K818-R853 HydrophobicContact CG-CG 4.41Å; D821-R853 IonicContact OD2-NH2 3.97Å; F849-R853 WeakPolarHBondContact CA-O 3.37Å; F849-R853 VanDerWaalsContact CD2-O 3.26Å; F849-R853 WeakPolarHBondContact CD2-O 3.38Å; R850-R853 PolarHBondContact N-O 3.38Å; R850-R853 PolarHBondContact O-N 3.25Å; R853-F855 HydrophobicContact CB-CE2 3.98Å; R853-F855 HydrophobicContact CB-CZ 4.4Å
854	Y	92.9	Very high	87.6	Confident	29 Å²	29	57.3 Å²	57.3	11%	0.114	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.3	169.9	-65.7	-85.6	0	0	0	109.2	Y811 S816 F817 M819 I843 C847 I848 F849	Y811-Y854 VanDerWaalsContact OH-C 3.25Å; Y811-Y854 PolarHBondContact OH-O 2.68Å; S816-Y854 CarbonylContact C-O 3.53Å; S816-Y854 WeakPolarHBondContact CA-O 3.3Å; S816-Y854 WeakPolarHBondContact CB-O 3.33Å; F817-Y854 HydrophobicContact CD2-CD2 4.02Å; F817-Y854 HydrophobicContact CD2-CG 4.29Å; F817-Y854 AromaticContact CE2-CD2 3.86Å; F817-Y854 HydrophobicContact CE2-CD2 3.86Å; F817-Y854 AromaticContact CE2-CG 3.9Å; F817-Y854 HydrophobicContact CE2-CG 3.9Å; F817-Y854 PolarHBondContact N-O 2.75Å; F817-Y854 PolarHBondContact O-N 3.33Å; M819-Y854 HydrophobicContact CB-CE2 4.28Å; M819-Y854 HydrophobicContact CE-CE2 3.75Å; M819-Y854 VanDerWaalsContact CE-OH 3.24Å; M819-Y854 WeakPolarHBondContact CE-OH 3.36Å; I843-Y854 HydrophobicContact CG2-CD1 3.78Å; I843-Y854 HydrophobicContact CG2-CE1 3.75Å; C847-Y854 HydrophobicContact CB-CD1 3.97Å; I848-Y854 WeakPolarHBondContact O-CA 3.35Å; F849-Y854 HydrophobicContact CB-CD1 4.06Å; F849-Y854 HydrophobicContact CB-CE1 3.86Å; F849-Y854 AromaticContact CD2-CD1 3.83Å; F849-Y854 HydrophobicContact CD2-CD1 3.83Å; F849-Y854 AromaticContact CD2-CD2 3.91Å; F849-Y854 HydrophobicContact CD2-CD2 3.91Å; F849-Y854 AromaticContact CD2-CE1 3.54Å; F849-Y854 HydrophobicContact CD2-CE1 3.54Å; F849-Y854 AromaticContact CD2-CE2 3.61Å; F849-Y854 HydrophobicContact CD2-CE2 3.61Å; F849-Y854 AromaticContact CD2-CG 4Å; F849-Y854 HydrophobicContact CD2-CG 4Å; F849-Y854 AromaticContact CD2-CZ 3.41Å; F849-Y854 VanDerWaalsContact CD2-CZ 3.41Å; F849-Y854 HydrophobicContact CE2-CD2 4.25Å; F849-Y854 HydrophobicContact CE2-CE1 4.43Å; F849-Y854 AromaticContact CE2-CE2 3.76Å; F849-Y854 HydrophobicContact CE2-CE2 3.76Å; F849-Y854 AromaticContact CE2-CZ 3.86Å; F849-Y854 HydrophobicContact CG-CD1 4.41Å; F849-Y854 HydrophobicContact CG-CE1 4.03Å
855	F	92.8	Very high	87.5	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.4	173.9	-63	-96.8	0	0	0	108.6	P772 V774 Y811 C847 I848 R850 R853 V860	P772-F855 HydrophobicContact CB-CD1 3.78Å; P772-F855 HydrophobicContact CB-CE1 3.85Å; P772-F855 HydrophobicContact CG-CD1 4.13Å; V774-F855 HydrophobicContact CG1-CE1 3.91Å; V774-F855 HydrophobicContact CG1-CZ 4.14Å; V774-F855 HydrophobicContact CG2-CE1 4.17Å; Y811-F855 PolarHBondContact OH-N 3.3Å; Y811-F855 PolarHBondContact OH-O 2.98Å; C847-F855 CarbonylContact C-O 3.57Å; C847-F855 WeakPolarHBondContact CA-O 3.42Å; I848-F855 PolarHBondContact N-O 3.15Å; I848-F855 PolarHBondContact O-N 2.77Å; R850-F855 HydrophobicContact CB-CD2 4.13Å; R850-F855 HydrophobicContact CB-CE2 3.98Å; R853-F855 HydrophobicContact CB-CE2 3.98Å; R853-F855 HydrophobicContact CB-CZ 4.4Å; F855-V860 HydrophobicContact CB-CB 4.31Å; F855-V860 HydrophobicContact CB-CG2 3.79Å; F855-V860 HydrophobicContact CD1-CG2 3.65Å; F855-V860 HydrophobicContact CE1-CG2 4.42Å; F855-V860 HydrophobicContact CG-CG2 3.83Å
856	L	92.8	Very high	87.5	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139.6	177.8	-172	73.3	0	0	0	109.8	I708 L767 V769 L783 Y811 T859	I708-L856 HydrophobicContact CD1-CD1 3.41Å; I708-L856 VanDerWaalsContact CD1-CD1 3.41Å; I708-L856 HydrophobicContact CD1-CG 3.98Å; I708-L856 HydrophobicContact CG1-CD1 4.43Å; L767-L856 HydrophobicContact CD1-CD2 4.24Å; V769-L856 HydrophobicContact CG1-CD2 3.98Å; V769-L856 HydrophobicContact CG2-CD2 3.65Å; L783-L856 HydrophobicContact CD1-CD2 3.85Å; Y811-L856 HydrophobicContact CD1-CB 3.84Å; Y811-L856 HydrophobicContact CD2-CB 3.94Å; Y811-L856 HydrophobicContact CD2-CD1 3.47Å; Y811-L856 VanDerWaalsContact CD2-CD1 3.47Å; Y811-L856 HydrophobicContact CD2-CG 4.22Å; Y811-L856 HydrophobicContact CE1-CB 3.94Å; Y811-L856 HydrophobicContact CE2-CB 4Å; Y811-L856 HydrophobicContact CE2-CD1 3.74Å; Y811-L856 HydrophobicContact CE2-CG 4.49Å; Y811-L856 HydrophobicContact CG-CB 3.83Å; Y811-L856 HydrophobicContact CG-CD1 4.05Å; Y811-L856 HydrophobicContact CG-CG 4.35Å; Y811-L856 VanDerWaalsContact CZ-N 3.33Å; Y811-L856 PolarHBondContact OH-N 3.06Å; L856-T859 HydrophobicContact CB-CG2 3.83Å; L856-T859 HydrophobicContact CD2-CG2 4.03Å; L856-T859 HydrophobicContact CG-CG2 4.35Å; L856-T859 PolarHBondContact O-N 3.04Å; L856-T859 VanDerWaalsContact O-N 3.14Å; L856-T859 PolarHBondContact O-OG1 3.06Å
857	R	90.1	Very high	87.3	Confident	74 Å²	74	54.5 Å²	54.5	28%	0.279	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	148	168.4	-80.6	-179.2	160.5	-67.1	-23.8	110.3	I708 K844 Q845 Y846 I848 T859 D862	I708-R857 HydrophobicContact CD1-CB 4.15Å; K844-R857 PolarHBondContact O-NE 2.75Å; Q845-R857 VanDerWaalsContact O-CD 3.31Å; Q845-R857 WeakPolarHBondContact O-CD 3.23Å; Y846-R857 PolarHBondContact O-N 3.27Å; I848-R857 HydrophobicContact CD1-CG 4.25Å; I848-R857 HydrophobicContact CG1-CG 3.7Å; R857-T859 PolarHBondContact O-N 2.9Å; R857-D862 IonicContact CZ-OD1 3.87Å; R857-D862 IonicContact CZ-OD2 2.76Å; R857-D862 IonicContact NH1-OD1 2.81Å; R857-D862 PolarHBondContact NH1-OD1 3.08Å; R857-D862 IonicContact NH1-OD2 3.41Å; R857-D862 PolarHBondContact NH1-OD2 3.37Å; R857-D862 IonicContact NH2-OD1 3.49Å; R857-D862 PolarHBondContact NH2-OD1 2.75Å; R857-D862 IonicContact NH2-OD2 3.5Å; R857-D862 PolarHBondContact NH2-OD2 3.28Å
858	C	89.5	Confident	87	Confident	40 Å²	40	57.6 Å²	57.6	27%	0.27	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	2.1	-170.9	-53.4	0	0	0	0	116.5	A710 L783	A710-C858 HydrophobicContact CB-CB 4.23Å; L783-C858 HydrophobicContact CD1-CB 4.03Å; L783-C858 HydrophobicContact CD2-CB 3.68Å
859	T	90.3	Very high	86.8	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-16.2	169.5	67.1	0	0	0	0	114.5	V769 W771 A777 L778 L783 L856 R857	V769-T859 HydrophobicContact CG1-CG2 3.82Å; W771-T859 HydrophobicContact CD2-CG2 4.49Å; W771-T859 HydrophobicContact CE3-CG2 4.14Å; W771-T859 HydrophobicContact CH2-CG2 4.26Å; W771-T859 HydrophobicContact CZ3-CG2 4.05Å; A777-T859 WeakPolarHBondContact CA-O 3.28Å; L778-T859 PolarHBondContact N-O 3.18Å; L783-T859 HydrophobicContact CD1-CG2 4.05Å; L856-T859 HydrophobicContact CB-CG2 3.83Å; L856-T859 HydrophobicContact CD2-CG2 4.03Å; L856-T859 HydrophobicContact CG-CG2 4.35Å; L856-T859 PolarHBondContact O-N 3.04Å; L856-T859 VanDerWaalsContact O-N 3.14Å; L856-T859 PolarHBondContact O-OG1 3.06Å; R857-T859 PolarHBondContact O-N 2.9Å
860	V	89.8	Confident	86.5	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-143.1	145.2	-176.5	176.2	0	0	0	0	107.8	P772 V774 T776 I848 F855	P772-V860 HydrophobicContact CB-CG2 4.49Å; P772-V860 HydrophobicContact CG-CG2 3.67Å; V774-V860 HydrophobicContact CG2-CG2 4.11Å; T776-V860 WeakPolarHBondContact O-CA 3.3Å; T776-V860 WeakPolarHBondContact O-CG1 3.14Å; T776-V860 WeakPolarHBondContact OG1-CG1 3.38Å; I848-V860 WeakPolarHBondContact CD1-O 3.38Å; F855-V860 HydrophobicContact CB-CB 4.31Å; F855-V860 HydrophobicContact CB-CG2 3.79Å; F855-V860 HydrophobicContact CD1-CG2 3.65Å; F855-V860 HydrophobicContact CE1-CG2 4.42Å; F855-V860 HydrophobicContact CG-CG2 3.83Å
861	S	83.9	Confident	86.5	Confident	32 Å²	32	57.7 Å²	57.7	22%	0.224	30%	0.303	C	S	.	.			trans	-61.3	145.6	175.5	-172.9	0	0	0	0	112	T776 R850 D863	T776-S861 PolarHBondContact O-N 3.48Å; R850-S861 PolarHBondContact NE-O 3.19Å; R850-S861 VanDerWaalsContact NE-O 3.14Å; R850-S861 PolarHBondContact NH2-O 3.3Å; S861-D863 VanDerWaalsContact C-N 3.28Å; S861-D863 PolarHBondContact OG-N 2.72Å; S861-D863 PolarHBondContact OG-OD2 3.12Å; S861-D863 VanDerWaalsContact OG-OD2 3.14Å
862	D	76.2	Confident	86.6	Confident	91 Å²	91	49.1 Å²	49.1	49%	0.487	27%	0.266	S	S	.	.			trans	-73.3	-17.4	171.5	-98.8	-41.5	0	0	0	112.7	R850 R857	R850-D862 PolarHBondContact NH2-O 2.91Å; R857-D862 IonicContact CZ-OD1 3.87Å; R857-D862 IonicContact CZ-OD2 2.76Å; R857-D862 IonicContact NH1-OD1 2.81Å; R857-D862 PolarHBondContact NH1-OD1 3.08Å; R857-D862 IonicContact NH1-OD2 3.41Å; R857-D862 PolarHBondContact NH1-OD2 3.37Å; R857-D862 IonicContact NH2-OD1 3.49Å; R857-D862 PolarHBondContact NH2-OD1 2.75Å; R857-D862 IonicContact NH2-OD2 3.5Å; R857-D862 PolarHBondContact NH2-OD2 3.28Å
863	D	61	Low	86.5	Confident	191 Å²	191	49.6 Å²	49.6	100%	1.021	25%	0.25	S	C	*	.			trans	-72.4	0	-174.5	-64.4	-53.7	0	0	0	115.7	R850 S861	R850-D863 PolarHBondContact NH1-O 3.25Å; R850-D863 PolarHBondContact NH2-O 2.85Å; R850-D863 PolarHBondContact NH2-OXT 3.31Å; S861-D863 VanDerWaalsContact C-N 3.28Å; S861-D863 PolarHBondContact OG-N 2.72Å; S861-D863 PolarHBondContact OG-OD2 3.12Å; S861-D863 VanDerWaalsContact OG-OD2 3.14Å

Retrieved 863 of 863 residues in 562.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).