A0A087XCM8_POEFO Loading...

Dynein axonemal intermediate chain 3

AlphaFold DB , UniProt , Accession A0A087XCM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 905 aa.

						>A0A087XCM8_POEFO|A0A087XCM8
MGPKAKRSPSKGRGKGKDNYITQLLVNAQEKDSEFSPQDHPDDIFPLVLTSATQELFNCRIDEDVTEKHPFKLLKKDDIIDDMKTRAAISDFSPVKHAVLDYPEEEMLLVFDSNLTYGQCFYLVLTPESKERILKTPEAEELLESEKRPKLWIPLGSEKEIEEPVKETREKLRLKLRLDREGQSEVCFSDRDCAESKDSHLECTSYEDSKFKIKKLMSDCGVQAVPMLQTNGCQTMRMVPKDTFTQYEPREFSTKEKEMILKEQNLRDFCGRQIPRMLFALQQEEIINVFLDDWRSLATGIEICDWSGQVSDTLVLHQVFTDQKFAKNKTISCLNWHPTIHGKVQHFKAVKLLFSHQEQKTAETASSPPLIVFYSFSDPSNPQQFLLECPDDILAFQFSPSNPNIIVGGCINGQILLWDLSAHVTYIQASQPSSRKDSTSSDKFVNILQDLNDSKENIPIVRFCAVSALESSHKAPVTDVQWLPPTFEVTILGLPVENKQKVSVQIITCSPDCTLRFWDVRLPAVFTNTPTESTPAVDHKTPMTTCSVPETFKHLDRTWKPLFRVSLSKIDTKGEYVPMKFSFENVIAPTVGRIMIHTLTLFSLSETDKDIKGTEVFPDYSQLMLPASEKLREMDSINTKFFVGTENGEIIYSDWKMESDDSGRPHSSKPFACFNTHHWLVNTVQRSPFFKDILLTTGGWNFAIWKEGVMDGPLVASQYFEQECTVGCWSLSRPAVFFIGKTDGSVEIWDMLKNSSEPLQLHAHISKSKITCMKACSFTAEQHFLAVADDLGVLRIFEIPKALYLPFGHEDLSMKRYFDLEAESLKDYLKREENWTKQKKEEEEMKLKQKMVRHVRNLNKEGKEDAEINLFNNIFEQHLNVFKSSLMFNSSFIKLKSKGAFTPSH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	34.8	Very low	247 Å²	247	159.8 Å²	159.8	100%	1.217	87%	0.87	S	S	*	*				0	155.3	0	-59.8	177.3	-173.4	0	0	108.4
2	G	41.6	Very low	34.1	Very low	72 Å²	72	153.2 Å²	153.2	74%	0.742	87%	0.867	S	S	*	*			trans	-83.7	-164.3	163.9	0	0	0	0	0	111.9
3	P	51.8	Low	33.5	Very low	131 Å²	131	161.6 Å²	161.6	85%	0.851	88%	0.876	S	S	*	*			cis	-142.2	175.7	18.1	42.1	-22.7	0	0	0	119.1
4	K	32.8	Very low	32.9	Very low	200 Å²	200	155.6 Å²	155.6	87%	0.87	87%	0.871	S	S	*	*			trans	-38.6	152.7	168.2	-52	159.3	177.7	174.6	0	117.5
5	A	34.7	Very low	32.6	Very low	90 Å²	90	159.9 Å²	159.9	74%	0.744	88%	0.877	S	S	*	*				156.6	126	95.2	0	0	0	0	0	119.4
6	K	32.1	Very low	32.2	Very low	201 Å²	201	153.9 Å²	153.9	87%	0.874	86%	0.863	S	S	*	*			trans	45.9	126.5	135.2	-58.4	-178.2	175.8	-176.3	0	123.8
7	R	25.6	Very low	31.8	Very low	249 Å²	249	157.1 Å²	157.1	94%	0.94	87%	0.866	S	S	*	*				-179.5	175.8	104.4	-101.4	-178.4	172.2	170.1	-1.5	113.8
8	S	25.7	Very low	31.7	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	86%	0.862	S	S	*	*			trans	-157.1	-169.8	-174	66.7	0	0	0	0	109.6
9	P	52.3	Low	31.6	Very low	119 Å²	119	156.3 Å²	156.3	77%	0.773	86%	0.859	S	S	*	*			cis	-133.1	-177.8	-25.2	40.5	-24.7	0	0	0	114
10	S	24.9	Very low	31.5	Very low	124 Å²	124	159.1 Å²	159.1	87%	0.867	86%	0.857	S	S	*	*			trans	-160.5	171.2	152.4	66.6	0	0	0	0	112.9
11	K	29.5	Very low	31.3	Very low	217 Å²	217	159.8 Å²	159.8	94%	0.943	86%	0.859	S	S	*	*			trans	-129.5	151.3	-173.8	-76.5	-177.8	176.3	176.6	0	113.3
12	G	25.9	Very low	31	Very low	80 Å²	80	153.6 Å²	153.6	83%	0.825	84%	0.835	S	S	*	*			trans	-158.4	158.6	166	0	0	0	0	0	111.4
13	R	26.3	Very low	30.2	Very low	263 Å²	263	158.7 Å²	158.7	99%	0.992	84%	0.84	S	S	*	*			trans	-133.1	144.7	-173.8	-99.2	-178.5	167.3	174.5	-4.4	112.6
14	G	25.1	Very low	28.9	Very low	78 Å²	78	159.8 Å²	159.8	80%	0.804	84%	0.838	S	S	*	*			trans	-161.4	147.5	165.2	0	0	0	0	0	110.6
15	K	28.4	Very low	28.5	Very low	219 Å²	219	158.9 Å²	158.9	95%	0.952	84%	0.841	S	S	*	*			trans	-107.3	155.3	178.6	-59.3	177.3	178.9	-179.2	0	109.6
16	G	25.6	Very low	28.1	Very low	64 Å²	64	159.9 Å²	159.9	66%	0.66	84%	0.838	S	S	*	*			cis	133.6	134.9	-2.3	0	0	0	0	0	112.5
17	K	25.5	Very low	27.6	Very low	209 Å²	209	156.9 Å²	156.9	91%	0.909	83%	0.832	S	S	*	*			trans	178.5	106.1	164.9	-108.3	-172.1	-179.8	-171.6	0	107.7
18	D	31.4	Very low	27.5	Very low	151 Å²	151	150 Å²	150	81%	0.807	83%	0.828	S	S	*	*			trans	-118.4	148.4	-169.4	-63.4	-69.8	0	0	0	113.1
19	N	28.9	Very low	27.5	Very low	148 Å²	148	152.9 Å²	152.9	79%	0.791	83%	0.829	S	S	*	*			trans	-89.7	-157	165.8	-74.4	-30.4	0	0	0	109.6
20	Y	29.1	Very low	26.3	Very low	211 Å²	211	155.4 Å²	155.4	83%	0.827	83%	0.831	S	S	*	*			trans	88	109.2	168.4	-60.6	-82	0	0	0	117.1
21	I	29.1	Very low	26.2	Very low	174 Å²	174	158.5 Å²	158.5	89%	0.892	83%	0.829	S	S	*	*			trans	-111.3	94.3	154.4	-62	176.8	0	0	0	106.7
22	T	25.7	Very low	26	Very low	117 Å²	117	154.3 Å²	154.3	72%	0.718	82%	0.817	S	S	*	*			trans	-159.7	145.6	162	-28.7	0	0	0	0	110.6
23	Q	23.5	Very low	26.1	Very low	179 Å²	179	155.8 Å²	155.8	84%	0.836	81%	0.814	S	S	*	*			trans	75	145.8	165.3	-83	176.1	-18.8	0	0	120.6
24	L	24.8	Very low	26.1	Very low	155 Å²	155	152.5 Å²	152.5	81%	0.812	81%	0.81	S	S	*	*			trans	76	70.7	162.4	-64.4	165.7	0	0	0	119.4
25	L	25.3	Very low	26.2	Very low	181 Å²	181	158.9 Å²	158.9	95%	0.948	82%	0.816	S	S	*	*			trans	-82.3	96.9	143.6	-83.8	166.6	0	0	0	109.9
26	V	25.8	Very low	26.1	Very low	111 Å²	111	153.2 Å²	153.2	67%	0.673	80%	0.804	S	S	*	*			trans	-147.9	123.9	161.5	176.8	0	0	0	0	110.4
27	N	21.3	Very low	26.6	Very low	138 Å²	138	155.3 Å²	155.3	74%	0.738	81%	0.806	S	S	*	*			trans	53.2	105.9	159.7	-60.5	5.2	0	0	0	120.9
28	A	23.9	Very low	27.3	Very low	105 Å²	105	152.8 Å²	152.8	87%	0.868	80%	0.797	S	S	*	*				-136.8	126.3	116.2	0	0	0	0	0	108.7
29	Q	25.6	Very low	28.1	Very low	167 Å²	167	152.9 Å²	152.9	78%	0.78	80%	0.798	S	S	*	*			trans	-102.8	-174.1	176	-80.9	-176.3	-89.9	0	0	110.9
30	E	26.5	Very low	29.6	Very low	172 Å²	172	149.8 Å²	149.8	80%	0.804	78%	0.779	S	S	*	*			trans	76.7	92.9	163.9	-64.4	170.9	-157.7	0	0	116.4
31	K	23.4	Very low	31.7	Very low	190 Å²	190	142.2 Å²	142.2	83%	0.826	76%	0.756	S	S	*	*				-156.1	116.1	92.7	-102.2	-178.3	176.2	-166.3	0	113.7
32	D	26.1	Very low	33.6	Very low	129 Å²	129	141.6 Å²	141.6	69%	0.69	75%	0.754	S	S	*	*			trans	24.3	110.8	137.4	-36.3	-27.4	0	0	0	116.5
33	S	26.9	Very low	36.2	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	73%	0.732	S	S	*	*			cis	84.7	102.1	48.4	79.3	0	0	0	0	114.5
34	E	25.9	Very low	39.1	Very low	194 Å²	194	130.6 Å²	130.6	91%	0.907	70%	0.696	S	S	*	*			trans	-155.9	70.5	157.7	-141.8	168.1	-129.1	0	0	111.7
35	F	27.1	Very low	42	Very low	212 Å²	212	126.6 Å²	126.6	93%	0.93	67%	0.672	S	S	*	*	S	Bend	trans	-139.1	133.4	155.4	-103.4	-86.2	0	0	0	107.1
36	S	27.3	Very low	45	Very low	99 Å²	99	118.5 Å²	118.5	69%	0.692	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-70	141.3	-172.9	50	0	0	0	0	112.2
37	P	35.9	Very low	47.8	Very low	108 Å²	108	113.5 Å²	113.5	70%	0.701	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-62	138.1	161.6	29.7	-33.3	0	0	0	109
38	Q	39.9	Very low	50.9	Low	156 Å²	156	111.5 Å²	111.5	73%	0.729	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-89.7	120.9	155.9	-75.8	-176.3	-43.3	0	0	106.7	H40	Q38-H40 PolarHBondContact O-N 2.94Å
39	D	48.2	Very low	53.8	Low	154 Å²	154	106.8 Å²	106.8	82%	0.824	55%	0.553	S	S	*	*			trans	-69.3	95.5	-178.8	-61.8	-47.5	0	0	0	110
40	H	60.7	Low	56.7	Low	82 Å²	82	101.8 Å²	101.8	38%	0.38	53%	0.534	S	S	.	.			trans	-77	147	161.6	68.8	81.9	0	0	0	109.2	Q38 I44 Y117	Q38-H40 PolarHBondContact O-N 2.94Å; H40-I44 PolarHBondContact ND1-O 2.93Å; H40-I44 VanDerWaalsContact ND1-O 3.09Å; H40-Y117 HydrophobicContact CB-CD1 3.72Å; H40-Y117 HydrophobicContact CB-CE1 4.2Å
41	P	72.3	Confident	59.5	Low	53 Å²	53	98 Å²	98	34%	0.344	53%	0.526	S	S	.	.			trans	-60.4	143.5	175.1	-23.6	34.3	0	0	0	112.1	D43 I44	P41-D43 HydrophobicContact CB-CB 4.23Å; P41-D43 PolarHBondContact O-N 3.31Å; P41-D43 VanDerWaalsContact O-N 3.09Å; P41-I44 PolarHBondContact O-N 3.29Å; P41-I44 VanDerWaalsContact O-O 3.06Å
42	D	70.4	Confident	62.3	Low	161 Å²	161	91.5 Å²	91.5	86%	0.861	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-23	171.6	-69.7	-44.8	0	0	0	112.7	I44	D42-I44 PolarHBondContact O-N 3.48Å
43	D	78.9	Confident	65.1	Low	48 Å²	48	85.4 Å²	85.4	26%	0.257	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.2	175.2	-82.7	-40.3	0	0	0	114.3	P41 L125 T126 S129 R132	P41-D43 HydrophobicContact CB-CB 4.23Å; P41-D43 PolarHBondContact O-N 3.31Å; P41-D43 VanDerWaalsContact O-N 3.09Å; D43-L125 PolarHBondContact O-N 3.24Å; D43-T126 WeakPolarHBondContact OD1-CB 3.46Å; D43-T126 WeakPolarHBondContact OD1-CG2 3.49Å; D43-T126 PolarHBondContact OD1-OG1 2.83Å; D43-S129 VanDerWaalsContact CB-OG 3.28Å; D43-S129 WeakPolarHBondContact CB-OG 3.32Å; D43-S129 PolarHBondContact OD1-OG 2.76Å; D43-S129 PolarHBondContact OD2-OG 3Å; D43-R132 IonicContact OD1-NH2 2.6Å; D43-R132 IonicContact OD2-CZ 3.56Å; D43-R132 IonicContact OD2-NH2 3.56Å; D43-R132 PolarHBondContact OD2-NH2 3.07Å
44	I	84.1	Confident	68	Low	16 Å²	16	81.6 Å²	81.6	8%	0.082	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.8	-166.8	-66	177.4	0	0	0	111	H40 P41 D42 Y122	H40-I44 PolarHBondContact ND1-O 2.93Å; H40-I44 VanDerWaalsContact ND1-O 3.09Å; P41-I44 PolarHBondContact O-N 3.29Å; P41-I44 VanDerWaalsContact O-O 3.06Å; D42-I44 PolarHBondContact O-N 3.48Å; I44-Y122 HydrophobicContact CD1-CD2 4.32Å; I44-Y122 HydrophobicContact CD1-CE2 4.04Å; I44-Y122 HydrophobicContact CG1-CD2 4.45Å; I44-Y122 HydrophobicContact CG2-CD2 3.42Å; I44-Y122 VanDerWaalsContact CG2-CD2 3.42Å; I44-Y122 HydrophobicContact CG2-CE2 4.18Å; I44-Y122 HydrophobicContact CG2-CG 3.65Å
45	F	86	Confident	70.9	Confident	71 Å²	71	77.5 Å²	77.5	31%	0.311	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.3	174.4	-164.3	-80.3	0	0	0	112.1	L47 P94 V95 Y122 L123 L125	F45-L47 HydrophobicContact CD1-CD2 3.77Å; F45-L47 HydrophobicContact CD1-CG 4.19Å; F45-L47 HydrophobicContact CE1-CD2 3.87Å; F45-P94 HydrophobicContact CE1-CB 4.43Å; F45-P94 HydrophobicContact CZ-CB 4.32Å; F45-V95 HydrophobicContact CB-CG1 3.97Å; F45-V95 HydrophobicContact CD1-CG1 3.17Å; F45-V95 HydrophobicContact CD2-CG1 3.98Å; F45-V95 HydrophobicContact CE1-CG1 3.55Å; F45-V95 HydrophobicContact CE2-CG1 4.28Å; F45-V95 HydrophobicContact CG-CG1 3.42Å; F45-V95 VanDerWaalsContact CG-CG1 3.42Å; F45-V95 HydrophobicContact CZ-CG1 4.09Å; F45-Y122 CarbonylContact O-C 3.57Å; F45-Y122 WeakPolarHBondContact O-CA 3.27Å; F45-L123 PolarHBondContact N-O 2.99Å; F45-L123 PolarHBondContact O-N 2.61Å; F45-L125 HydrophobicContact CB-CD1 3.85Å; F45-L125 HydrophobicContact CB-CD2 4.4Å; F45-L125 HydrophobicContact CB-CG 4.12Å
46	P	87.8	Confident	73.7	Confident	11 Å²	11	72 Å²	72	7%	0.071	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	138.7	174.9	-23.6	35.6	0	0	0	113.1	Q119	P46-Q119 VanDerWaalsContact C-OE1 3.3Å; P46-Q119 HydrophobicContact CB-CB 4.01Å; P46-Q119 HydrophobicContact CB-CG 3.95Å; P46-Q119 PolarHBondContact O-OE1 2.79Å
47	L	85.4	Confident	76.5	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.037	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.7	-179.7	-68.8	177.2	0	0	0	112.5	F45 L49 F92 V95 F121 L123	F45-L47 HydrophobicContact CD1-CD2 3.77Å; F45-L47 HydrophobicContact CD1-CG 4.19Å; F45-L47 HydrophobicContact CE1-CD2 3.87Å; L47-L49 HydrophobicContact CB-CD2 4.37Å; L47-L49 HydrophobicContact CD1-CD2 4.4Å; L47-F92 HydrophobicContact CD1-CD1 3.81Å; L47-F92 HydrophobicContact CD1-CE1 3.7Å; L47-V95 HydrophobicContact CD2-CG1 4.1Å; L47-V95 HydrophobicContact CD2-CG2 4.45Å; L47-F121 PolarHBondContact N-O 2.63Å; L47-F121 PolarHBondContact O-N 3.03Å; L47-F121 VanDerWaalsContact O-O 3.12Å; L47-L123 HydrophobicContact CD1-CB 3.8Å; L47-L123 HydrophobicContact CD1-CD2 4.46Å
48	V	86.1	Confident	78.8	Confident	96 Å²	96	67.5 Å²	67.5	58%	0.582	37%	0.368	S	S	*	.			trans	-101.7	108.5	162	-179.3	0	0	0	0	108.3	Q119	V48-Q119 HydrophobicContact CG2-CB 4.15Å; V48-Q119 HydrophobicContact CG2-CG 4.1Å; V48-Q119 VanDerWaalsContact N-OE1 3.13Å
49	L	85.9	Confident	80.9	Confident	6 Å²	6	60 Å²	60	3%	0.031	33%	0.333	C	S	.	.			trans	-89.9	123.8	174	-58.3	-176.9	0	0	0	110.1	L47 T53 Q54 D91 F92 L109 F121	L47-L49 HydrophobicContact CB-CD2 4.37Å; L47-L49 HydrophobicContact CD1-CD2 4.4Å; L49-T53 HydrophobicContact CD2-CG2 4.12Å; L49-Q54 HydrophobicContact CB-CG 3.9Å; L49-Q54 PolarHBondContact O-NE2 3.46Å; L49-D91 HydrophobicContact CD2-CB 4.02Å; L49-F92 HydrophobicContact CD1-CZ 4.31Å; L49-F92 HydrophobicContact CD2-CE1 4Å; L49-F92 HydrophobicContact CD2-CE2 4.12Å; L49-F92 HydrophobicContact CD2-CZ 3.71Å; L49-L109 HydrophobicContact CD1-CD1 4.14Å; L49-L109 HydrophobicContact CD1-CD2 3.61Å; L49-F121 HydrophobicContact CB-CD2 4.09Å; L49-F121 HydrophobicContact CB-CE2 4.16Å; L49-F121 HydrophobicContact CD1-CD1 4.39Å; L49-F121 HydrophobicContact CD1-CD2 4.08Å; L49-F121 HydrophobicContact CD1-CE2 4.32Å; L49-F121 HydrophobicContact CD1-CG 4.12Å; L49-F121 HydrophobicContact CG-CD2 3.99Å; L49-F121 HydrophobicContact CG-CE2 4.43Å; L49-F121 HydrophobicContact CG-CG 4.32Å
50	T	86.7	Confident	82.6	Confident	62 Å²	62	56.5 Å²	56.5	38%	0.38	31%	0.308	S	S	.	.			trans	-64.2	155.5	171.8	59.3	0	0	0	0	110.8	A52 T53 Q54 D91	T50-A52 VanDerWaalsContact C-N 3.27Å; T50-A52 PolarHBondContact O-N 3.26Å; T50-T53 WeakPolarHBondContact O-CA 3.27Å; T50-T53 WeakPolarHBondContact O-CB 3.09Å; T50-T53 PolarHBondContact O-N 3.29Å; T50-T53 PolarHBondContact OG1-OG1 3Å; T50-Q54 PolarHBondContact O-N 3.01Å; T50-D91 WeakPolarHBondContact CB-OD2 3.48Å; T50-D91 WeakPolarHBondContact CG2-OD1 3.12Å; T50-D91 PolarHBondContact N-OD2 2.75Å; T50-D91 PolarHBondContact OG1-OD2 3.29Å
51	S	83.9	Confident	83.5	Confident	91 Å²	91	55.2 Å²	55.2	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-52.6	-45	179.1	51.2	0	0	0	0	112.2	T53 Q54 E55	S51-T53 VanDerWaalsContact C-N 3.27Å; S51-T53 PolarHBondContact O-N 2.85Å; S51-Q54 CarbonylContact O-C 3.59Å; S51-Q54 WeakPolarHBondContact O-CA 3.21Å; S51-Q54 WeakPolarHBondContact O-CB 3.42Å; S51-Q54 PolarHBondContact O-N 3.17Å; S51-E55 WeakPolarHBondContact O-CG 3.24Å; S51-E55 PolarHBondContact O-N 3.33Å
52	A	82.5	Confident	83.8	Confident	55 Å²	55	58.7 Å²	58.7	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-58.7	-34.8	176.8	0	0	0	0	0	113.6	T50 L56	T50-A52 VanDerWaalsContact C-N 3.27Å; T50-A52 PolarHBondContact O-N 3.26Å; A52-L56 WeakPolarHBondContact O-CB 3.46Å; A52-L56 PolarHBondContact O-N 3.23Å; A52-L56 VanDerWaalsContact O-N 3.13Å
53	T	85.9	Confident	84.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-74	-38.7	173.7	-56.4	0	0	0	0	111.4	L49 T50 S51 E55 L56 F57 R86 D91 F92	L49-T53 HydrophobicContact CD2-CG2 4.12Å; T50-T53 WeakPolarHBondContact O-CA 3.27Å; T50-T53 WeakPolarHBondContact O-CB 3.09Å; T50-T53 PolarHBondContact O-N 3.29Å; T50-T53 PolarHBondContact OG1-OG1 3Å; S51-T53 VanDerWaalsContact C-N 3.27Å; S51-T53 PolarHBondContact O-N 2.85Å; T53-E55 VanDerWaalsContact C-N 3.33Å; T53-E55 PolarHBondContact O-N 3.43Å; T53-L56 PolarHBondContact O-N 2.84Å; T53-F57 HydrophobicContact CG2-CD2 3.78Å; T53-F57 HydrophobicContact CG2-CE2 4.06Å; T53-F57 WeakPolarHBondContact O-CD2 3.2Å; T53-F57 PolarHBondContact O-N 3.12Å; T53-R86 PolarHBondContact OG1-NH1 3.2Å; T53-R86 PolarHBondContact OG1-NH2 2.67Å; T53-D91 WeakPolarHBondContact CB-OD2 3.38Å; T53-D91 PolarHBondContact OG1-OD2 2.89Å; T53-F92 HydrophobicContact CG2-CD2 4.3Å; T53-F92 HydrophobicContact CG2-CE2 3.68Å; T53-F92 HydrophobicContact CG2-CZ 4.48Å
54	Q	87.7	Confident	84.2	Confident	32 Å²	32	57.9 Å²	57.9	15%	0.15	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-37.7	174.1	-64.7	177.9	36.6	0	0	112.4	L49 T50 S51 N58 C59 R60 F121	L49-Q54 HydrophobicContact CB-CG 3.9Å; L49-Q54 PolarHBondContact O-NE2 3.46Å; T50-Q54 PolarHBondContact O-N 3.01Å; S51-Q54 CarbonylContact O-C 3.59Å; S51-Q54 WeakPolarHBondContact O-CA 3.21Å; S51-Q54 WeakPolarHBondContact O-CB 3.42Å; S51-Q54 PolarHBondContact O-N 3.17Å; Q54-N58 WeakPolarHBondContact O-CA 2.93Å; Q54-N58 PolarHBondContact O-N 3.32Å; Q54-N58 VanDerWaalsContact O-N 3.16Å; Q54-C59 PolarHBondContact O-N 2.71Å; Q54-R60 HydrophobicContact CB-CG 4.35Å; Q54-F121 HydrophobicContact CG-CE2 4.23Å; Q54-F121 HydrophobicContact CG-CZ 4.26Å
55	E	86.2	Confident	84	Confident	107 Å²	107	57.2 Å²	57.2	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-41.9	172.3	-60.2	-158.1	136.4	0	0	111.9	S51 T53 R60	S51-E55 WeakPolarHBondContact O-CG 3.24Å; S51-E55 PolarHBondContact O-N 3.33Å; T53-E55 VanDerWaalsContact C-N 3.33Å; T53-E55 PolarHBondContact O-N 3.43Å; E55-R60 IonicContact OE1-CZ 3.47Å; E55-R60 IonicContact OE1-NH1 2.74Å; E55-R60 IonicContact OE1-NH2 2.77Å; E55-R60 PolarHBondContact OE1-NH2 3.35Å
56	L	86.1	Confident	83.7	Confident	97 Å²	97	55.9 Å²	55.9	51%	0.508	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-42.1	-177	-177.7	63.3	0	0	0	112.8	A52 T53 D82	A52-L56 WeakPolarHBondContact O-CB 3.46Å; A52-L56 PolarHBondContact O-N 3.23Å; A52-L56 VanDerWaalsContact O-N 3.13Å; T53-L56 PolarHBondContact O-N 2.84Å; L56-D82 HydrophobicContact CD2-CB 4.42Å; L56-D82 VanDerWaalsContact CD2-OD1 3.25Å; L56-D82 WeakPolarHBondContact CD2-OD1 3.18Å
57	F	85.8	Confident	83.1	Confident	19 Å²	19	62.3 Å²	62.3	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-93.9	1.4	-177.6	-72.9	-79.4	0	0	0	114	T53 C59 L74 D78 I79 D82 F92	T53-F57 HydrophobicContact CG2-CD2 3.78Å; T53-F57 HydrophobicContact CG2-CE2 4.06Å; T53-F57 WeakPolarHBondContact O-CD2 3.2Å; T53-F57 PolarHBondContact O-N 3.12Å; F57-C59 VanDerWaalsContact C-N 3.35Å; F57-C59 PolarHBondContact O-N 3.39Å; F57-L74 HydrophobicContact CB-CD1 4.44Å; F57-L74 HydrophobicContact CB-CD2 3.98Å; F57-L74 HydrophobicContact CD1-CD1 4.23Å; F57-L74 HydrophobicContact CD1-CD2 4.13Å; F57-L74 HydrophobicContact CG-CD1 4.4Å; F57-L74 HydrophobicContact CG-CD2 4.44Å; F57-D78 HydrophobicContact CE1-CB 3.87Å; F57-I79 HydrophobicContact CE1-CG1 3.82Å; F57-I79 HydrophobicContact CZ-CG1 4.11Å; F57-D82 HydrophobicContact CE2-CB 4.1Å; F57-D82 HydrophobicContact CZ-CB 3.81Å; F57-F92 AromaticContact CD2-CE2 3.89Å; F57-F92 HydrophobicContact CD2-CE2 3.89Å; F57-F92 HydrophobicContact CE2-CD2 4.21Å; F57-F92 AromaticContact CE2-CE2 3.64Å; F57-F92 HydrophobicContact CE2-CE2 3.64Å; F57-F92 HydrophobicContact CZ-CE2 4.17Å
58	N	84.1	Confident	82.4	Confident	93 Å²	93	70.6 Å²	70.6	50%	0.497	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	55.5	-173.3	-51.3	-91.2	0	0	0	110.4	Q54 D64 K72	Q54-N58 WeakPolarHBondContact O-CA 2.93Å; Q54-N58 PolarHBondContact O-N 3.32Å; Q54-N58 VanDerWaalsContact O-N 3.16Å; N58-D64 VanDerWaalsContact CA-OD2 3.28Å; N58-D64 WeakPolarHBondContact CA-OD2 3.43Å; N58-D64 VanDerWaalsContact O-CB 3.25Å; N58-D64 WeakPolarHBondContact O-CB 3.49Å; N58-K72 WeakPolarHBondContact O-CE 3.46Å; N58-K72 PolarHBondContact O-NZ 2.89Å
59	C	84.6	Confident	82	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.372	C	S	.	.			trans	-128.7	35.4	176.3	59.8	0	0	0	0	111.8	Q54 F57 D64 V65 L109 F121	Q54-C59 PolarHBondContact O-N 2.71Å; F57-C59 VanDerWaalsContact C-N 3.35Å; F57-C59 PolarHBondContact O-N 3.39Å; C59-D64 PolarHBondContact N-OD2 3.45Å; C59-V65 HydrophobicContact CB-CG2 4.06Å; C59-L109 HydrophobicContact CB-CD2 3.9Å; C59-F121 WeakPolarHBondContact O-CZ 3.42Å
60	R	84.2	Confident	81.9	Confident	79 Å²	79	74.1 Å²	74.1	30%	0.298	38%	0.382	S	S	.	.			trans	-60.8	133.5	174.8	-59.6	178.2	-179.8	-145.6	-7.4	111.7	Q54 E55 E63 D64 V65	Q54-R60 HydrophobicContact CB-CG 4.35Å; E55-R60 IonicContact OE1-CZ 3.47Å; E55-R60 IonicContact OE1-NH1 2.74Å; E55-R60 IonicContact OE1-NH2 2.77Å; E55-R60 PolarHBondContact OE1-NH2 3.35Å; R60-E63 HydrophobicContact CB-CB 4.07Å; R60-E63 WeakPolarHBondContact CD-OE2 3.42Å; R60-E63 IonicContact CZ-OE2 3.86Å; R60-E63 IonicContact NE-OE2 2.61Å; R60-E63 IonicContact NH1-OE2 3.7Å; R60-E63 PolarHBondContact NH1-OE2 2.94Å; R60-D64 HydrophobicContact CB-CB 4.42Å; R60-D64 PolarHBondContact N-OD2 2.86Å; R60-D64 PolarHBondContact O-N 3.35Å; R60-V65 PolarHBondContact O-N 3.15Å
61	I	78.9	Confident	81.8	Confident	55 Å²	55	75.5 Å²	75.5	28%	0.282	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-60	140.6	169.4	-54.5	170.4	0	0	0	108.9	E63 F111 F121	I61-E63 PolarHBondContact O-N 3.26Å; I61-F111 HydrophobicContact CB-CE2 4.36Å; I61-F111 HydrophobicContact CD1-CD2 4.32Å; I61-F111 HydrophobicContact CD1-CE2 3.74Å; I61-F111 HydrophobicContact CG1-CD2 3.98Å; I61-F111 HydrophobicContact CG1-CE2 3.69Å; I61-F111 HydrophobicContact CG1-CZ 4.39Å; I61-F111 HydrophobicContact CG2-CE1 4.3Å; I61-F111 HydrophobicContact CG2-CE2 3.78Å; I61-F111 HydrophobicContact CG2-CZ 3.6Å; I61-F121 HydrophobicContact CD1-CE2 4.13Å; I61-F121 HydrophobicContact CD1-CZ 4.23Å; I61-F121 HydrophobicContact CG1-CE2 4.14Å; I61-F121 HydrophobicContact CG1-CZ 3.73Å
62	D	77.7	Confident	82	Confident	127 Å²	127	73.9 Å²	73.9	68%	0.679	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-15.9	-179.4	-58.9	-38.8	0	0	0	117.2	V65	D62-V65 PolarHBondContact N-O 3.14Å
63	E	80.4	Confident	82.3	Confident	137 Å²	137	74.8 Å²	74.8	64%	0.64	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-54	174.3	-65.6	-170.3	142.4	0	0	113.1	R60 I61	R60-E63 HydrophobicContact CB-CB 4.07Å; R60-E63 WeakPolarHBondContact CD-OE2 3.42Å; R60-E63 IonicContact CZ-OE2 3.86Å; R60-E63 IonicContact NE-OE2 2.61Å; R60-E63 IonicContact NH1-OE2 3.7Å; R60-E63 PolarHBondContact NH1-OE2 2.94Å; I61-E63 PolarHBondContact O-N 3.26Å
64	D	78.6	Confident	82.5	Confident	54 Å²	54	75.2 Å²	75.2	29%	0.289	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-30.2	-177	-80	-70.3	0	0	0	113.6	N58 C59 R60 K72	N58-D64 VanDerWaalsContact CA-OD2 3.28Å; N58-D64 WeakPolarHBondContact CA-OD2 3.43Å; N58-D64 VanDerWaalsContact O-CB 3.25Å; N58-D64 WeakPolarHBondContact O-CB 3.49Å; C59-D64 PolarHBondContact N-OD2 3.45Å; R60-D64 HydrophobicContact CB-CB 4.42Å; R60-D64 PolarHBondContact N-OD2 2.86Å; R60-D64 PolarHBondContact O-N 3.35Å; D64-K72 IonicContact OD1-NZ 2.66Å; D64-K72 PolarHBondContact OD1-NZ 3.02Å; D64-K72 VanDerWaalsContact OD1-NZ 3.08Å
65	V	80.4	Confident	82.6	Confident	2 Å²	2	79.3 Å²	79.3	1%	0.012	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-136	128.7	-174.6	-167.5	0	0	0	0	107.8	C59 R60 D62 H69 P70 K72 F111	C59-V65 HydrophobicContact CB-CG2 4.06Å; R60-V65 PolarHBondContact O-N 3.15Å; D62-V65 PolarHBondContact N-O 3.14Å; V65-H69 WeakPolarHBondContact CG1-O 3.35Å; V65-P70 VanDerWaalsContact CG1-C 3.4Å; V65-P70 WeakPolarHBondContact CG1-O 3.21Å; V65-K72 HydrophobicContact CG2-CB 4.32Å; V65-K72 HydrophobicContact CG2-CD 4.36Å; V65-F111 HydrophobicContact CB-CB 4.39Å; V65-F111 HydrophobicContact CG1-CB 3.47Å; V65-F111 VanDerWaalsContact CG1-CB 3.47Å; V65-F111 HydrophobicContact CG1-CD1 4.49Å; V65-F111 HydrophobicContact CG1-CG 4.26Å
66	T	79.9	Confident	82.7	Confident	43 Å²	43	75.8 Å²	75.8	26%	0.264	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-140	165.2	-169.8	61.6	0	0	0	0	110.1	K68 H69 P70	T66-K68 PolarHBondContact O-N 2.62Å; T66-H69 PolarHBondContact N-O 3.48Å; T66-H69 VanDerWaalsContact N-O 3.14Å; T66-H69 CarbonylContact O-C 3.55Å; T66-H69 PolarHBondContact O-N 3.43Å; T66-H69 VanDerWaalsContact O-O 3.12Å; T66-H69 PolarHBondContact OG1-N 3.32Å; T66-P70 VanDerWaalsContact O-CA 3.23Å; T66-P70 WeakPolarHBondContact O-CA 3.48Å; T66-P70 VanDerWaalsContact O-N 3.07Å
67	E	73.9	Confident	82.8	Confident	146 Å²	146	76.6 Å²	76.6	68%	0.682	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-31	175.2	-60	-179.1	152.4	0	0	113.6
68	K	70.7	Confident	83	Confident	182 Å²	182	79.9 Å²	79.9	79%	0.791	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-22.3	-179.4	-61.8	-175.7	-178.5	-179.5	0	113.9	T66	T66-K68 PolarHBondContact O-N 2.62Å
69	H	78.9	Confident	83.1	Confident	139 Å²	139	75.5 Å²	75.5	64%	0.644	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-136.3	76.3	174	-68.3	-48.8	0	0	0	108.5	V65 T66 F71	V65-H69 WeakPolarHBondContact CG1-O 3.35Å; T66-H69 PolarHBondContact N-O 3.48Å; T66-H69 VanDerWaalsContact N-O 3.14Å; T66-H69 CarbonylContact O-C 3.55Å; T66-H69 PolarHBondContact O-N 3.43Å; T66-H69 VanDerWaalsContact O-O 3.12Å; T66-H69 PolarHBondContact OG1-N 3.32Å; H69-F71 VanDerWaalsContact C-N 3.29Å; H69-F71 PolarHBondContact O-N 3.14Å
70	P	82.8	Confident	83.2	Confident	37 Å²	37	76.5 Å²	76.5	24%	0.24	37%	0.369	C	S	.	.			trans	-85	7.5	-166.1	33.1	-36.7	0	0	0	114	V65 T66 V110 F111	V65-P70 VanDerWaalsContact CG1-C 3.4Å; V65-P70 WeakPolarHBondContact CG1-O 3.21Å; T66-P70 VanDerWaalsContact O-CA 3.23Å; T66-P70 WeakPolarHBondContact O-CA 3.48Å; T66-P70 VanDerWaalsContact O-N 3.07Å; P70-V110 CarbonylContact O-C 3.5Å; P70-V110 WeakPolarHBondContact O-CA 3.41Å; P70-V110 WeakPolarHBondContact O-CG1 3.34Å; P70-F111 PolarHBondContact O-N 3.05Å
71	F	85.3	Confident	83.3	Confident	90 Å²	90	76.8 Å²	76.8	40%	0.395	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.9	-175.3	59.3	-100.1	0	0	0	113.9	H69 L108 L109 V110 L134	H69-F71 VanDerWaalsContact C-N 3.29Å; H69-F71 PolarHBondContact O-N 3.14Å; F71-L108 HydrophobicContact CB-CD1 3.98Å; F71-L108 HydrophobicContact CB-CG 4.46Å; F71-L108 HydrophobicContact CD2-CD1 3.97Å; F71-L108 HydrophobicContact CG-CD1 4.28Å; F71-L109 CarbonylContact C-O 3.57Å; F71-L109 WeakPolarHBondContact CA-O 3.5Å; F71-V110 HydrophobicContact CB-CG1 4.43Å; F71-V110 HydrophobicContact CB-CG2 4.13Å; F71-L134 HydrophobicContact CD2-CD2 4.08Å; F71-L134 HydrophobicContact CE2-CD2 3.65Å; F71-L134 HydrophobicContact CZ-CD2 4.13Å
72	K	88.1	Confident	83.6	Confident	57 Å²	57	74.4 Å²	74.4	25%	0.248	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.8	179.3	-159	88.1	176.7	-150.5	0	109.6	N58 D64 V65 L74 L109	N58-K72 WeakPolarHBondContact O-CE 3.46Å; N58-K72 PolarHBondContact O-NZ 2.89Å; D64-K72 IonicContact OD1-NZ 2.66Å; D64-K72 PolarHBondContact OD1-NZ 3.02Å; D64-K72 VanDerWaalsContact OD1-NZ 3.08Å; V65-K72 HydrophobicContact CG2-CB 4.32Å; V65-K72 HydrophobicContact CG2-CD 4.36Å; K72-L74 HydrophobicContact CG-CD2 4.07Å; K72-L109 PolarHBondContact N-O 2.99Å; K72-L109 PolarHBondContact O-N 2.76Å
73	L	89	Confident	84	Confident	75 Å²	75	68.8 Å²	68.8	39%	0.393	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127.8	167.8	-71.3	167.4	0	0	0	109.1	L108	L73-L108 HydrophobicContact CD2-CB 4.41Å; L73-L108 HydrophobicContact CD2-CD1 3.75Å; L73-L108 HydrophobicContact CG-CD1 4.17Å
74	L	89.9	Confident	84.1	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.4	177.5	-59.3	-174	0	0	0	109.6	F57 K72 I79 F92 E106 M107 L109	F57-L74 HydrophobicContact CB-CD1 4.44Å; F57-L74 HydrophobicContact CB-CD2 3.98Å; F57-L74 HydrophobicContact CD1-CD1 4.23Å; F57-L74 HydrophobicContact CD1-CD2 4.13Å; F57-L74 HydrophobicContact CG-CD1 4.4Å; F57-L74 HydrophobicContact CG-CD2 4.44Å; K72-L74 HydrophobicContact CG-CD2 4.07Å; L74-I79 HydrophobicContact CB-CD1 3.9Å; L74-I79 HydrophobicContact CB-CG1 4.43Å; L74-I79 HydrophobicContact CD1-CD1 4.22Å; L74-F92 HydrophobicContact CD1-CZ 4.11Å; L74-E106 CarbonylContact O-C 3.56Å; L74-E106 WeakPolarHBondContact O-CA 3.48Å; L74-M107 PolarHBondContact N-O 2.84Å; L74-M107 PolarHBondContact O-N 2.81Å; L74-L109 HydrophobicContact CD1-CB 4Å; L74-L109 HydrophobicContact CD1-CD2 4.06Å; L74-L109 HydrophobicContact CG-CB 4.25Å
75	K	90	Very high	84.2	Confident	119 Å²	119	71.7 Å²	71.7	52%	0.517	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	137.1	176	-66.1	-179.9	176	-175.1	0	111.1	D77 D78 I79 E106	K75-D77 VanDerWaalsContact C-N 3.31Å; K75-D77 PolarHBondContact O-N 2.98Å; K75-D78 HydrophobicContact CB-CB 4.33Å; K75-D78 WeakPolarHBondContact CB-OD2 3.31Å; K75-D78 PolarHBondContact O-N 3.26Å; K75-I79 WeakPolarHBondContact O-CG1 3.25Å; K75-I79 PolarHBondContact O-N 2.83Å; K75-E106 HydrophobicContact CG-CG 4.38Å
76	K	88	Confident	84.1	Confident	32 Å²	32	74.3 Å²	74.3	14%	0.139	36%	0.361	C	S	.	.	H	α-helix	trans	-58.6	-41.1	177.3	172.7	167.6	168.5	150.2	0	112.1	I79 I80 V99 L100 Y102 E104 E105	K76-I79 PolarHBondContact O-N 3.14Å; K76-I80 HydrophobicContact CD-CD1 4.48Å; K76-I80 HydrophobicContact CG-CD1 3.67Å; K76-I80 WeakPolarHBondContact O-CB 3.27Å; K76-I80 VanDerWaalsContact O-CG1 3.25Å; K76-I80 WeakPolarHBondContact O-CG1 3.18Å; K76-I80 PolarHBondContact O-N 3.47Å; K76-V99 WeakPolarHBondContact CE-O 3.23Å; K76-V99 HydrophobicContact CG-CG1 4.44Å; K76-V99 PolarHBondContact NZ-O 3.09Å; K76-L100 VanDerWaalsContact NZ-C 3.33Å; K76-L100 PolarHBondContact NZ-O 2.98Å; K76-Y102 PolarHBondContact NZ-O 3.31Å; K76-E104 WeakPolarHBondContact CD-O 3.41Å; K76-E105 WeakPolarHBondContact CB-O 3.11Å; K76-E105 PolarHBondContact N-O 3.09Å
77	D	88.6	Confident	83.8	Confident	114 Å²	114	75.1 Å²	75.1	61%	0.61	37%	0.373	S	S	*	.	H	α-helix	trans	-64.9	-41	178.7	-74.3	-27.4	0	0	0	112.7	K75 I79 I80 D81	K75-D77 VanDerWaalsContact C-N 3.31Å; K75-D77 PolarHBondContact O-N 2.98Å; D77-I79 VanDerWaalsContact C-N 3.35Å; D77-I79 PolarHBondContact O-N 3.24Å; D77-I80 PolarHBondContact O-N 3.26Å; D77-I80 VanDerWaalsContact O-N 3.16Å; D77-D81 PolarHBondContact O-N 3.12Å
78	D	88.5	Confident	83.5	Confident	89 Å²	89	72.8 Å²	72.8	48%	0.476	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-40.3	178.8	-62.3	-23.8	0	0	0	111	F57 K75 D81 D82	F57-D78 HydrophobicContact CE1-CB 3.87Å; K75-D78 HydrophobicContact CB-CB 4.33Å; K75-D78 WeakPolarHBondContact CB-OD2 3.31Å; K75-D78 PolarHBondContact O-N 3.26Å; D78-D81 PolarHBondContact O-N 3.14Å; D78-D82 WeakPolarHBondContact O-CB 3.39Å; D78-D82 PolarHBondContact O-N 2.91Å
79	I	87.1	Confident	83.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-39.6	173.8	-59.6	168.5	0	0	0	110.9	F57 L74 K75 K76 D77 M83 F92 V99	F57-I79 HydrophobicContact CE1-CG1 3.82Å; F57-I79 HydrophobicContact CZ-CG1 4.11Å; L74-I79 HydrophobicContact CB-CD1 3.9Å; L74-I79 HydrophobicContact CB-CG1 4.43Å; L74-I79 HydrophobicContact CD1-CD1 4.22Å; K75-I79 WeakPolarHBondContact O-CG1 3.25Å; K75-I79 PolarHBondContact O-N 2.83Å; K76-I79 PolarHBondContact O-N 3.14Å; D77-I79 VanDerWaalsContact C-N 3.35Å; D77-I79 PolarHBondContact O-N 3.24Å; I79-M83 HydrophobicContact CG2-CE 4.17Å; I79-M83 WeakPolarHBondContact O-CG 3.49Å; I79-M83 PolarHBondContact O-N 2.69Å; I79-F92 HydrophobicContact CG2-CB 3.75Å; I79-F92 HydrophobicContact CG2-CD1 4.08Å; I79-F92 HydrophobicContact CG2-CD2 3.93Å; I79-F92 HydrophobicContact CG2-CG 3.65Å; I79-V99 HydrophobicContact CB-CG1 4.45Å; I79-V99 HydrophobicContact CG2-CG1 4.05Å; I79-V99 HydrophobicContact CG2-CG2 4.46Å
80	I	86.2	Confident	83.9	Confident	22 Å²	22	64.1 Å²	64.1	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-39.5	178	-75	168.4	0	0	0	111.5	K76 D77 M83 K84 V99 L100	K76-I80 HydrophobicContact CD-CD1 4.48Å; K76-I80 HydrophobicContact CG-CD1 3.67Å; K76-I80 WeakPolarHBondContact O-CB 3.27Å; K76-I80 VanDerWaalsContact O-CG1 3.25Å; K76-I80 WeakPolarHBondContact O-CG1 3.18Å; K76-I80 PolarHBondContact O-N 3.47Å; D77-I80 PolarHBondContact O-N 3.26Å; D77-I80 VanDerWaalsContact O-N 3.16Å; I80-M83 HydrophobicContact CG1-CE 4.04Å; I80-M83 PolarHBondContact O-N 3.48Å; I80-K84 HydrophobicContact CG2-CD 4.47Å; I80-K84 VanDerWaalsContact CG2-CE 3.46Å; I80-K84 WeakPolarHBondContact O-CG 3.2Å; I80-K84 PolarHBondContact O-N 2.87Å; I80-V99 HydrophobicContact CG1-CG1 4.22Å; I80-L100 HydrophobicContact CD1-CD2 3.8Å; I80-L100 HydrophobicContact CG1-CD2 4.17Å
81	D	86.3	Confident	84.1	Confident	84 Å²	84	64 Å²	64	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-73.6	-32	177.4	-84.7	11	0	0	0	112.5	D77 D78 K84 T85	D77-D81 PolarHBondContact O-N 3.12Å; D78-D81 PolarHBondContact O-N 3.14Å; D81-K84 PolarHBondContact O-N 3.22Å; D81-K84 WeakPolarHBondContact OD1-CD 3.35Å; D81-K84 WeakPolarHBondContact OD1-CE 3.16Å; D81-K84 IonicContact OD1-NZ 2.94Å; D81-K84 PolarHBondContact OD1-NZ 2.98Å; D81-T85 WeakPolarHBondContact O-CB 3.16Å; D81-T85 WeakPolarHBondContact O-CG2 3.38Å; D81-T85 PolarHBondContact O-N 2.65Å; D81-T85 PolarHBondContact O-OG1 2.73Å
82	D	86.3	Confident	84.1	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.032	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-47.4	166.6	-175.5	58.5	0	0	0	111.8	L56 F57 D78 K84 T85 R86 S90	L56-D82 HydrophobicContact CD2-CB 4.42Å; L56-D82 VanDerWaalsContact CD2-OD1 3.25Å; L56-D82 WeakPolarHBondContact CD2-OD1 3.18Å; F57-D82 HydrophobicContact CE2-CB 4.1Å; F57-D82 HydrophobicContact CZ-CB 3.81Å; D78-D82 WeakPolarHBondContact O-CB 3.39Å; D78-D82 PolarHBondContact O-N 2.91Å; D82-K84 PolarHBondContact O-N 2.73Å; D82-T85 WeakPolarHBondContact CA-OG1 3.45Å; D82-T85 PolarHBondContact O-N 2.84Å; D82-T85 PolarHBondContact O-OG1 3Å; D82-R86 PolarHBondContact O-N 3.22Å; D82-R86 IonicContact OD1-CZ 3.87Å; D82-R86 IonicContact OD1-NE 3.93Å; D82-R86 PolarHBondContact OD1-NE 2.55Å; D82-R86 IonicContact OD1-NH2 2.67Å; D82-R86 PolarHBondContact OD1-NH2 3.46Å; D82-R86 IonicContact OD2-CZ 2.72Å; D82-R86 IonicContact OD2-NE 2.7Å; D82-R86 IonicContact OD2-NH2 3.51Å; D82-R86 PolarHBondContact OD2-NH2 2.66Å; D82-S90 VanDerWaalsContact OD2-CB 3.3Å; D82-S90 WeakPolarHBondContact OD2-CB 3.48Å; D82-S90 PolarHBondContact OD2-OG 3.22Å
83	M	85.4	Confident	83.8	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.039	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-21.9	174.9	-71.9	-171.1	-64.7	0	0	113.9	I79 I80 A87 F92 K96 V99	I79-M83 HydrophobicContact CG2-CE 4.17Å; I79-M83 WeakPolarHBondContact O-CG 3.49Å; I79-M83 PolarHBondContact O-N 2.69Å; I80-M83 HydrophobicContact CG1-CE 4.04Å; I80-M83 PolarHBondContact O-N 3.48Å; M83-A87 WeakPolarHBondContact O-CA 3.43Å; M83-A87 PolarHBondContact O-N 3.42Å; M83-F92 HydrophobicContact CG-CB 4.16Å; M83-F92 HydrophobicContact SD-CB 4.16Å; M83-K96 HydrophobicContact CE-CB 4.34Å; M83-K96 HydrophobicContact CE-CG 4.03Å; M83-K96 HydrophobicContact SD-CB 3.57Å; M83-K96 VanDerWaalsContact SD-CB 3.57Å; M83-K96 HydrophobicContact SD-CD 4.01Å; M83-K96 HydrophobicContact SD-CG 3.66Å; M83-V99 HydrophobicContact CE-CB 4.41Å; M83-V99 HydrophobicContact CE-CG1 4.14Å
84	K	82.3	Confident	83.5	Confident	140 Å²	140	59.8 Å²	59.8	61%	0.609	33%	0.334	S	S	*	.	H	α-helix	trans	-78.8	-40.6	171	-72.1	169.2	-162.4	154.7	0	111.8	I80 D81 D82	I80-K84 HydrophobicContact CG2-CD 4.47Å; I80-K84 VanDerWaalsContact CG2-CE 3.46Å; I80-K84 WeakPolarHBondContact O-CG 3.2Å; I80-K84 PolarHBondContact O-N 2.87Å; D81-K84 PolarHBondContact O-N 3.22Å; D81-K84 WeakPolarHBondContact OD1-CD 3.35Å; D81-K84 WeakPolarHBondContact OD1-CE 3.16Å; D81-K84 IonicContact OD1-NZ 2.94Å; D81-K84 PolarHBondContact OD1-NZ 2.98Å; D82-K84 PolarHBondContact O-N 2.73Å
85	T	80.6	Confident	83.3	Confident	113 Å²	113	59.6 Å²	59.6	69%	0.693	33%	0.333	S	S	*	.	H	α-helix	trans	-83.9	-41.3	-172.6	51.2	0	0	0	0	113.2	D81 D82	D81-T85 WeakPolarHBondContact O-CB 3.16Å; D81-T85 WeakPolarHBondContact O-CG2 3.38Å; D81-T85 PolarHBondContact O-N 2.65Å; D81-T85 PolarHBondContact O-OG1 2.73Å; D82-T85 WeakPolarHBondContact CA-OG1 3.45Å; D82-T85 PolarHBondContact O-N 2.84Å; D82-T85 PolarHBondContact O-OG1 3Å
86	R	78	Confident	82.9	Confident	57 Å²	57	58.4 Å²	58.4	22%	0.215	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.1	176.7	-67.6	-163.8	-72.5	161.2	-2.6	114.1	T53 D82 A88 I89	T53-R86 PolarHBondContact OG1-NH1 3.2Å; T53-R86 PolarHBondContact OG1-NH2 2.67Å; D82-R86 PolarHBondContact O-N 3.22Å; D82-R86 IonicContact OD1-CZ 3.87Å; D82-R86 IonicContact OD1-NE 3.93Å; D82-R86 PolarHBondContact OD1-NE 2.55Å; D82-R86 IonicContact OD1-NH2 2.67Å; D82-R86 PolarHBondContact OD1-NH2 3.46Å; D82-R86 IonicContact OD2-CZ 2.72Å; D82-R86 IonicContact OD2-NE 2.7Å; D82-R86 IonicContact OD2-NH2 3.51Å; D82-R86 PolarHBondContact OD2-NH2 2.66Å; R86-A88 PolarHBondContact O-N 2.84Å; R86-I89 HydrophobicContact CB-CB 4.39Å; R86-I89 VanDerWaalsContact O-CB 3.32Å; R86-I89 WeakPolarHBondContact O-CB 3.23Å; R86-I89 PolarHBondContact O-N 3.33Å
87	A	74.6	Confident	82.6	Confident	60 Å²	60	63.8 Å²	63.8	50%	0.496	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	48.4	-129	-179.1	0	0	0	0	0	111.4	M83 I89 S90 S93	M83-A87 WeakPolarHBondContact O-CA 3.43Å; M83-A87 PolarHBondContact O-N 3.42Å; A87-I89 PolarHBondContact O-N 3.09Å; A87-S90 PolarHBondContact O-N 3.23Å; A87-S93 PolarHBondContact O-OG 3.35Å
88	A	66.6	Low	82.4	Confident	97 Å²	97	59.9 Å²	59.9	80%	0.802	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-67.5	5.8	179.5	0	0	0	0	0	115.3	R86	R86-A88 PolarHBondContact O-N 2.84Å
89	I	76	Confident	82.2	Confident	134 Å²	134	55.7 Å²	55.7	69%	0.687	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-105.4	-1.6	174.7	-44.4	169.9	0	0	0	110.5	R86 A87	R86-I89 HydrophobicContact CB-CB 4.39Å; R86-I89 VanDerWaalsContact O-CB 3.32Å; R86-I89 WeakPolarHBondContact O-CB 3.23Å; R86-I89 PolarHBondContact O-N 3.33Å; A87-I89 PolarHBondContact O-N 3.09Å
90	S	83.4	Confident	82.1	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.028	34%	0.335	C	S	.	.	S	Bend	trans	-79.8	128.8	167.2	174.5	0	0	0	0	109.9	D82 A87 F92 S93	D82-S90 VanDerWaalsContact OD2-CB 3.3Å; D82-S90 WeakPolarHBondContact OD2-CB 3.48Å; D82-S90 PolarHBondContact OD2-OG 3.22Å; A87-S90 PolarHBondContact O-N 3.23Å; S90-F92 PolarHBondContact O-N 3.47Å; S90-F92 VanDerWaalsContact O-N 3.16Å; S90-F92 PolarHBondContact OG-N 3.24Å; S90-S93 WeakPolarHBondContact O-CB 3.34Å; S90-S93 PolarHBondContact O-N 2.84Å; S90-S93 PolarHBondContact O-OG 3.32Å
91	D	85.3	Confident	82	Confident	35 Å²	35	64.5 Å²	64.5	19%	0.187	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.5	178.7	-57.6	-38.4	0	0	0	112.7	L49 T50 T53 S93 P94	L49-D91 HydrophobicContact CD2-CB 4.02Å; T50-D91 WeakPolarHBondContact CB-OD2 3.48Å; T50-D91 WeakPolarHBondContact CG2-OD1 3.12Å; T50-D91 PolarHBondContact N-OD2 2.75Å; T50-D91 PolarHBondContact OG1-OD2 3.29Å; T53-D91 WeakPolarHBondContact CB-OD2 3.38Å; T53-D91 PolarHBondContact OG1-OD2 2.89Å; D91-S93 VanDerWaalsContact C-N 3.3Å; D91-P94 WeakPolarHBondContact O-CD 3.28Å
92	F	85.6	Confident	82	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.2	174.5	-63.6	-75.2	0	0	0	113.8	L47 L49 T53 F57 L74 I79 M83 S90 P94 V95 K96	L47-F92 HydrophobicContact CD1-CD1 3.81Å; L47-F92 HydrophobicContact CD1-CE1 3.7Å; L49-F92 HydrophobicContact CD1-CZ 4.31Å; L49-F92 HydrophobicContact CD2-CE1 4Å; L49-F92 HydrophobicContact CD2-CE2 4.12Å; L49-F92 HydrophobicContact CD2-CZ 3.71Å; T53-F92 HydrophobicContact CG2-CD2 4.3Å; T53-F92 HydrophobicContact CG2-CE2 3.68Å; T53-F92 HydrophobicContact CG2-CZ 4.48Å; F57-F92 AromaticContact CD2-CE2 3.89Å; F57-F92 HydrophobicContact CD2-CE2 3.89Å; F57-F92 HydrophobicContact CE2-CD2 4.21Å; F57-F92 AromaticContact CE2-CE2 3.64Å; F57-F92 HydrophobicContact CE2-CE2 3.64Å; F57-F92 HydrophobicContact CZ-CE2 4.17Å; L74-F92 HydrophobicContact CD1-CZ 4.11Å; I79-F92 HydrophobicContact CG2-CB 3.75Å; I79-F92 HydrophobicContact CG2-CD1 4.08Å; I79-F92 HydrophobicContact CG2-CD2 3.93Å; I79-F92 HydrophobicContact CG2-CG 3.65Å; M83-F92 HydrophobicContact CG-CB 4.16Å; M83-F92 HydrophobicContact SD-CB 4.16Å; S90-F92 PolarHBondContact O-N 3.47Å; S90-F92 VanDerWaalsContact O-N 3.16Å; S90-F92 PolarHBondContact OG-N 3.24Å; F92-P94 VanDerWaalsContact C-N 3.34Å; F92-V95 HydrophobicContact CB-CG2 4.15Å; F92-V95 HydrophobicContact CD1-CG2 4.12Å; F92-V95 WeakPolarHBondContact O-CG2 3.47Å; F92-V95 PolarHBondContact O-N 3.45Å; F92-V95 VanDerWaalsContact O-N 3.12Å; F92-K96 PolarHBondContact O-N 2.97Å
93	S	82.1	Confident	81.8	Confident	40 Å²	40	65.4 Å²	65.4	28%	0.28	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-51.8	-39	178.3	-62.7	0	0	0	0	115.2	A87 S90 D91 K96	A87-S93 PolarHBondContact O-OG 3.35Å; S90-S93 WeakPolarHBondContact O-CB 3.34Å; S90-S93 PolarHBondContact O-N 2.84Å; S90-S93 PolarHBondContact O-OG 3.32Å; D91-S93 VanDerWaalsContact C-N 3.3Å; S93-K96 VanDerWaalsContact O-CB 3.28Å; S93-K96 WeakPolarHBondContact O-CB 3.24Å; S93-K96 PolarHBondContact O-N 3.36Å
94	P	82.9	Confident	81.8	Confident	94 Å²	94	68.3 Å²	68.3	61%	0.61	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-65.5	-36.7	178.2	-21.8	35	0	0	0	113.3	F45 D91 F92 K96	F45-P94 HydrophobicContact CE1-CB 4.43Å; F45-P94 HydrophobicContact CZ-CB 4.32Å; D91-P94 WeakPolarHBondContact O-CD 3.28Å; F92-P94 VanDerWaalsContact C-N 3.34Å; P94-K96 VanDerWaalsContact C-N 3.33Å
95	V	84.7	Confident	82	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.018	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-88.5	3.5	-178.6	-67.2	0	0	0	0	113.6	F45 L47 F92 H97 A98 V99 L123	F45-V95 HydrophobicContact CB-CG1 3.97Å; F45-V95 HydrophobicContact CD1-CG1 3.17Å; F45-V95 HydrophobicContact CD2-CG1 3.98Å; F45-V95 HydrophobicContact CE1-CG1 3.55Å; F45-V95 HydrophobicContact CE2-CG1 4.28Å; F45-V95 HydrophobicContact CG-CG1 3.42Å; F45-V95 VanDerWaalsContact CG-CG1 3.42Å; F45-V95 HydrophobicContact CZ-CG1 4.09Å; L47-V95 HydrophobicContact CD2-CG1 4.1Å; L47-V95 HydrophobicContact CD2-CG2 4.45Å; F92-V95 HydrophobicContact CB-CG2 4.15Å; F92-V95 HydrophobicContact CD1-CG2 4.12Å; F92-V95 WeakPolarHBondContact O-CG2 3.47Å; F92-V95 PolarHBondContact O-N 3.45Å; F92-V95 VanDerWaalsContact O-N 3.12Å; V95-H97 PolarHBondContact O-N 3.42Å; V95-A98 PolarHBondContact O-N 2.89Å; V95-V99 HydrophobicContact CB-CG2 4.22Å; V95-V99 HydrophobicContact CG2-CG2 3.83Å; V95-V99 WeakPolarHBondContact O-CG2 3.33Å; V95-V99 PolarHBondContact O-N 3.13Å; V95-L123 HydrophobicContact CG2-CD2 4.04Å
96	K	82.8	Confident	82.4	Confident	95 Å²	95	67.8 Å²	67.8	41%	0.413	38%	0.377	S	S	.	.	H	α-helix	trans	-47.9	-40	-173.5	-180	167	-177.4	169.5	0	115	M83 F92 S93 P94 L100	M83-K96 HydrophobicContact CE-CB 4.34Å; M83-K96 HydrophobicContact CE-CG 4.03Å; M83-K96 HydrophobicContact SD-CB 3.57Å; M83-K96 VanDerWaalsContact SD-CB 3.57Å; M83-K96 HydrophobicContact SD-CD 4.01Å; M83-K96 HydrophobicContact SD-CG 3.66Å; F92-K96 PolarHBondContact O-N 2.97Å; S93-K96 VanDerWaalsContact O-CB 3.28Å; S93-K96 WeakPolarHBondContact O-CB 3.24Å; S93-K96 PolarHBondContact O-N 3.36Å; P94-K96 VanDerWaalsContact C-N 3.33Å; K96-L100 HydrophobicContact CG-CD1 4.11Å; K96-L100 WeakPolarHBondContact O-CB 3.36Å; K96-L100 WeakPolarHBondContact O-CD1 3.49Å; K96-L100 VanDerWaalsContact O-CG 3.23Å; K96-L100 WeakPolarHBondContact O-CG 3.38Å; K96-L100 PolarHBondContact O-N 3.32Å; K96-L100 VanDerWaalsContact O-N 3.13Å
97	H	82.4	Confident	82.9	Confident	144 Å²	144	65.1 Å²	65.1	67%	0.667	37%	0.367	S	S	*	.	H	α-helix	trans	-68.8	-51.1	177	-77.6	-80.6	0	0	0	111.6	V95 V99 L100 D101	V95-H97 PolarHBondContact O-N 3.42Å; H97-V99 VanDerWaalsContact C-N 3.31Å; H97-V99 PolarHBondContact O-N 3.07Å; H97-L100 PolarHBondContact O-N 2.92Å; H97-L100 VanDerWaalsContact O-N 3.07Å; H97-D101 PolarHBondContact O-N 3.3Å
98	A	82.8	Confident	83.6	Confident	33 Å²	33	62.2 Å²	62.2	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-38.3	177.6	0	0	0	0	0	113	V95 D101 Y102 L125	V95-A98 PolarHBondContact O-N 2.89Å; A98-D101 PolarHBondContact O-N 2.86Å; A98-Y102 WeakPolarHBondContact O-CB 3.35Å; A98-Y102 PolarHBondContact O-N 3.03Å; A98-L125 HydrophobicContact CB-CD1 3.82Å; A98-L125 HydrophobicContact CB-CD2 3.88Å; A98-L125 HydrophobicContact CB-CG 4.39Å
99	V	85.5	Confident	84.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-42.3	173.9	174.8	0	0	0	0	111.5	K76 I79 I80 M83 V95 H97 M107 L123	K76-V99 WeakPolarHBondContact CE-O 3.23Å; K76-V99 HydrophobicContact CG-CG1 4.44Å; K76-V99 PolarHBondContact NZ-O 3.09Å; I79-V99 HydrophobicContact CB-CG1 4.45Å; I79-V99 HydrophobicContact CG2-CG1 4.05Å; I79-V99 HydrophobicContact CG2-CG2 4.46Å; I80-V99 HydrophobicContact CG1-CG1 4.22Å; M83-V99 HydrophobicContact CE-CB 4.41Å; M83-V99 HydrophobicContact CE-CG1 4.14Å; V95-V99 HydrophobicContact CB-CG2 4.22Å; V95-V99 HydrophobicContact CG2-CG2 3.83Å; V95-V99 WeakPolarHBondContact O-CG2 3.33Å; V95-V99 PolarHBondContact O-N 3.13Å; H97-V99 VanDerWaalsContact C-N 3.31Å; H97-V99 PolarHBondContact O-N 3.07Å; V99-M107 HydrophobicContact CB-SD 4.18Å; V99-M107 HydrophobicContact CG1-SD 4.03Å; V99-M107 HydrophobicContact CG2-CE 4.42Å; V99-M107 HydrophobicContact CG2-SD 3.91Å; V99-L123 HydrophobicContact CG2-CD2 3.96Å
100	L	84.6	Confident	85.4	Confident	80 Å²	80	51.7 Å²	51.7	42%	0.419	28%	0.275	S	S	.	.	H	α-helix	trans	-68	-37.4	177.3	-75.6	169.1	0	0	0	112.5	K76 I80 K96 H97	K76-L100 VanDerWaalsContact NZ-C 3.33Å; K76-L100 PolarHBondContact NZ-O 2.98Å; I80-L100 HydrophobicContact CD1-CD2 3.8Å; I80-L100 HydrophobicContact CG1-CD2 4.17Å; K96-L100 HydrophobicContact CG-CD1 4.11Å; K96-L100 WeakPolarHBondContact O-CB 3.36Å; K96-L100 WeakPolarHBondContact O-CD1 3.49Å; K96-L100 VanDerWaalsContact O-CG 3.23Å; K96-L100 WeakPolarHBondContact O-CG 3.38Å; K96-L100 PolarHBondContact O-N 3.32Å; K96-L100 VanDerWaalsContact O-N 3.13Å; H97-L100 PolarHBondContact O-N 2.92Å; H97-L100 VanDerWaalsContact O-N 3.07Å
101	D	84.1	Confident	85.6	Confident	128 Å²	128	52.7 Å²	52.7	68%	0.684	28%	0.279	S	S	*	.	H	α-helix	trans	-83.1	-13.5	-178	-62.3	-30.7	0	0	0	113.3	H97 A98	H97-D101 PolarHBondContact O-N 3.3Å; A98-D101 PolarHBondContact O-N 2.86Å
102	Y	86.2	Confident	85.5	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.027	27%	0.273	C	S	.	.			trans	-60.3	134	178.1	-163.2	-107.7	0	0	0	113.1	K76 A98 E104 E106 M107 L125 K130	K76-Y102 PolarHBondContact NZ-O 3.31Å; A98-Y102 WeakPolarHBondContact O-CB 3.35Å; A98-Y102 PolarHBondContact O-N 3.03Å; Y102-E104 HydrophobicContact CD1-CB 4.2Å; Y102-E104 HydrophobicContact CE1-CB 3.81Å; Y102-E104 HydrophobicContact CE1-CG 4.35Å; Y102-E106 WeakPolarHBondContact CE1-O 3.48Å; Y102-M107 HydrophobicContact CD1-CE 4.3Å; Y102-M107 HydrophobicContact CD1-CG 3.56Å; Y102-M107 HydrophobicContact CD1-SD 4.2Å; Y102-M107 HydrophobicContact CD2-CE 3.79Å; Y102-M107 HydrophobicContact CE1-CG 3.72Å; Y102-M107 HydrophobicContact CE2-CE 4.19Å; Y102-M107 HydrophobicContact CG-CE 3.84Å; Y102-M107 HydrophobicContact CG-CG 4.06Å; Y102-M107 HydrophobicContact CG-SD 4.11Å; Y102-L125 VanDerWaalsContact CD2-O 3.24Å; Y102-L125 WeakPolarHBondContact CD2-O 3.49Å; Y102-L125 WeakPolarHBondContact CE2-O 3.25Å; Y102-K130 WeakPolarHBondContact OH-CD 3.48Å
103	P	81.6	Confident	85.1	Confident	101 Å²	101	54.1 Å²	54.1	66%	0.656	29%	0.291	S	S	*	.	S	Bend	trans	-82	-15.9	-169.5	30.5	-35.6	0	0	0	115.8	P127	P103-P127 HydrophobicContact CG-CG 3.93Å
104	E	86.8	Confident	84.7	Confident	69 Å²	69	58.1 Å²	58.1	32%	0.322	31%	0.309	S	S	.	.	S	Bend	trans	-105.7	162.8	-176.7	-55.3	-178.7	-171.7	0	0	113.3	K76 Y102 E106 P127 K130	K76-E104 WeakPolarHBondContact CD-O 3.41Å; Y102-E104 HydrophobicContact CD1-CB 4.2Å; Y102-E104 HydrophobicContact CE1-CB 3.81Å; Y102-E104 HydrophobicContact CE1-CG 4.35Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E104-P127 HydrophobicContact CG-CB 4.42Å; E104-P127 WeakPolarHBondContact OE1-CB 3.37Å; E104-K130 IonicContact OE2-NZ 2.7Å; E104-K130 PolarHBondContact OE2-NZ 2.77Å
105	E	85.2	Confident	84.5	Confident	168 Å²	168	58 Å²	58	79%	0.785	30%	0.303	S	S	*	.	S	Bend	trans	-74.7	-18.6	179.1	-63.1	-178.6	-177.1	0	0	113.8	K76	K76-E105 WeakPolarHBondContact CB-O 3.11Å; K76-E105 PolarHBondContact N-O 3.09Å
106	E	88.9	Confident	83.9	Confident	75 Å²	75	61.7 Å²	61.7	35%	0.35	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.6	-178	-64.6	-175.1	158.4	0	0	111.6	L74 K75 Y102 E104 K130	L74-E106 CarbonylContact O-C 3.56Å; L74-E106 WeakPolarHBondContact O-CA 3.48Å; K75-E106 HydrophobicContact CG-CG 4.38Å; Y102-E106 WeakPolarHBondContact CE1-O 3.48Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E106-K130 PolarHBondContact O-NZ 3.4Å
107	M	89.8	Confident	83.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	152.2	174	-61.9	-170.1	74.8	0	0	110.9	L74 V99 Y102 L123 L125	L74-M107 PolarHBondContact N-O 2.84Å; L74-M107 PolarHBondContact O-N 2.81Å; V99-M107 HydrophobicContact CB-SD 4.18Å; V99-M107 HydrophobicContact CG1-SD 4.03Å; V99-M107 HydrophobicContact CG2-CE 4.42Å; V99-M107 HydrophobicContact CG2-SD 3.91Å; Y102-M107 HydrophobicContact CD1-CE 4.3Å; Y102-M107 HydrophobicContact CD1-CG 3.56Å; Y102-M107 HydrophobicContact CD1-SD 4.2Å; Y102-M107 HydrophobicContact CD2-CE 3.79Å; Y102-M107 HydrophobicContact CE1-CG 3.72Å; Y102-M107 HydrophobicContact CE2-CE 4.19Å; Y102-M107 HydrophobicContact CG-CE 3.84Å; Y102-M107 HydrophobicContact CG-CG 4.06Å; Y102-M107 HydrophobicContact CG-SD 4.11Å; M107-L123 HydrophobicContact CB-CD1 4.08Å; M107-L123 HydrophobicContact CE-CD1 4.49Å; M107-L123 HydrophobicContact CE-CD2 3.81Å; M107-L123 HydrophobicContact CE-CG 4.02Å; M107-L123 HydrophobicContact SD-CD2 4.29Å; M107-L125 HydrophobicContact CE-CD2 4.01Å
108	L	89.5	Confident	82.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.7	178.7	-169.6	68.9	0	0	0	110.2	F71 L73 V110 V124 K130 I133 L134	F71-L108 HydrophobicContact CB-CD1 3.98Å; F71-L108 HydrophobicContact CB-CG 4.46Å; F71-L108 HydrophobicContact CD2-CD1 3.97Å; F71-L108 HydrophobicContact CG-CD1 4.28Å; L73-L108 HydrophobicContact CD2-CB 4.41Å; L73-L108 HydrophobicContact CD2-CD1 3.75Å; L73-L108 HydrophobicContact CG-CD1 4.17Å; L108-V110 HydrophobicContact CD2-CG2 4.26Å; L108-V110 HydrophobicContact CG-CG2 4.15Å; L108-V124 HydrophobicContact CB-CB 4.24Å; L108-V124 HydrophobicContact CB-CG2 4.22Å; L108-V124 HydrophobicContact CD2-CG2 4.29Å; L108-V124 HydrophobicContact CG-CG2 4.47Å; L108-V124 PolarHBondContact O-N 3.38Å; L108-K130 HydrophobicContact CB-CB 4.44Å; L108-K130 HydrophobicContact CB-CG 4.12Å; L108-I133 HydrophobicContact CD2-CB 4.08Å; L108-I133 HydrophobicContact CD2-CD1 4.41Å; L108-I133 HydrophobicContact CD2-CG2 3.83Å; L108-L134 HydrophobicContact CD1-CD2 4.26Å; L108-L134 HydrophobicContact CD2-CG 4.26Å
109	L	90.2	Very high	82.8	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.2	166.8	-175.9	77	0	0	0	108.4	L49 C59 F71 K72 L74 F121 L123	L49-L109 HydrophobicContact CD1-CD1 4.14Å; L49-L109 HydrophobicContact CD1-CD2 3.61Å; C59-L109 HydrophobicContact CB-CD2 3.9Å; F71-L109 CarbonylContact C-O 3.57Å; F71-L109 WeakPolarHBondContact CA-O 3.5Å; K72-L109 PolarHBondContact N-O 2.99Å; K72-L109 PolarHBondContact O-N 2.76Å; L74-L109 HydrophobicContact CD1-CB 4Å; L74-L109 HydrophobicContact CD1-CD2 4.06Å; L74-L109 HydrophobicContact CG-CB 4.25Å; L109-F121 HydrophobicContact CD1-CB 4.11Å; L109-F121 HydrophobicContact CD1-CD1 4.41Å; L109-F121 HydrophobicContact CD2-CD1 3.9Å; L109-F121 HydrophobicContact CD2-CE1 4.22Å; L109-F121 HydrophobicContact CG-CD1 4.08Å; L109-L123 HydrophobicContact CB-CD1 4.45Å; L109-L123 HydrophobicContact CD1-CD1 4.33Å
110	V	88.3	Confident	82.6	Confident	8 Å²	8	60.9 Å²	60.9	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.8	175.9	-167.9	0	0	0	0	109.4	P70 F71 L108 F121 Y122 V124	P70-V110 CarbonylContact O-C 3.5Å; P70-V110 WeakPolarHBondContact O-CA 3.41Å; P70-V110 WeakPolarHBondContact O-CG1 3.34Å; F71-V110 HydrophobicContact CB-CG1 4.43Å; F71-V110 HydrophobicContact CB-CG2 4.13Å; L108-V110 HydrophobicContact CD2-CG2 4.26Å; L108-V110 HydrophobicContact CG-CG2 4.15Å; V110-F121 CarbonylContact O-C 3.56Å; V110-F121 WeakPolarHBondContact O-CA 3.34Å; V110-Y122 HydrophobicContact CB-CD1 4.45Å; V110-Y122 HydrophobicContact CB-CD2 3.95Å; V110-Y122 HydrophobicContact CB-CE1 4.05Å; V110-Y122 HydrophobicContact CB-CE2 3.52Å; V110-Y122 HydrophobicContact CB-CG 4.41Å; V110-Y122 HydrophobicContact CG1-CE1 4.1Å; V110-Y122 HydrophobicContact CG1-CE2 4.11Å; V110-Y122 HydrophobicContact CG2-CD2 4.16Å; V110-Y122 HydrophobicContact CG2-CE2 3.58Å; V110-Y122 PolarHBondContact N-O 3.04Å; V110-Y122 PolarHBondContact O-N 2.75Å; V110-V124 HydrophobicContact CG2-CG2 4.2Å
111	F	88.1	Confident	82.7	Confident	24 Å²	24	57.1 Å²	57.1	11%	0.105	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127	170.4	170.9	-114.8	0	0	0	109.3	I61 V65 P70 C120 F121	I61-F111 HydrophobicContact CB-CE2 4.36Å; I61-F111 HydrophobicContact CD1-CD2 4.32Å; I61-F111 HydrophobicContact CD1-CE2 3.74Å; I61-F111 HydrophobicContact CG1-CD2 3.98Å; I61-F111 HydrophobicContact CG1-CE2 3.69Å; I61-F111 HydrophobicContact CG1-CZ 4.39Å; I61-F111 HydrophobicContact CG2-CE1 4.3Å; I61-F111 HydrophobicContact CG2-CE2 3.78Å; I61-F111 HydrophobicContact CG2-CZ 3.6Å; V65-F111 HydrophobicContact CB-CB 4.39Å; V65-F111 HydrophobicContact CG1-CB 3.47Å; V65-F111 VanDerWaalsContact CG1-CB 3.47Å; V65-F111 HydrophobicContact CG1-CD1 4.49Å; V65-F111 HydrophobicContact CG1-CG 4.26Å; P70-F111 PolarHBondContact O-N 3.05Å; F111-C120 WeakPolarHBondContact CA-O 3.48Å; F111-C120 WeakPolarHBondContact CD2-O 3.25Å; F111-C120 HydrophobicContact CE2-CB 4.46Å; F111-F121 HydrophobicContact CB-CD1 4.07Å; F111-F121 HydrophobicContact CB-CE1 3.98Å; F111-F121 HydrophobicContact CD2-CD1 4.39Å; F111-F121 HydrophobicContact CD2-CE1 4.07Å; F111-F121 HydrophobicContact CD2-CZ 4.24Å; F111-F121 HydrophobicContact CG-CE1 4.46Å
112	D	84.3	Confident	83	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.07	29%	0.289	C	S	.	.			trans	-103.7	85.2	-179.4	-171.9	-9.5	0	0	0	109.3	N114 L115 T116 Y117 C120 Y122	D112-N114 PolarHBondContact O-N 2.94Å; D112-N114 VanDerWaalsContact O-N 3.14Å; D112-N114 PolarHBondContact OD1-N 3.25Å; D112-L115 PolarHBondContact O-N 3.43Å; D112-L115 PolarHBondContact OD1-N 3.18Å; D112-T116 VanDerWaalsContact CG-OG1 3.32Å; D112-T116 PolarHBondContact OD1-N 3.34Å; D112-T116 PolarHBondContact OD1-OG1 3.39Å; D112-T116 WeakPolarHBondContact OD2-CA 3.17Å; D112-T116 PolarHBondContact OD2-N 2.74Å; D112-T116 PolarHBondContact OD2-OG1 3.34Å; D112-Y117 PolarHBondContact OD2-N 3.06Å; D112-C120 PolarHBondContact N-O 2.84Å; D112-Y122 HydrophobicContact CB-CD1 4.07Å; D112-Y122 HydrophobicContact CB-CE1 4.07Å
113	S	77.4	Confident	83.1	Confident	53 Å²	53	52.3 Å²	52.3	37%	0.371	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.5	178.4	60.2	0	0	0	0	113.1
114	N	73.4	Confident	83.5	Confident	124 Å²	124	47.5 Å²	47.5	66%	0.663	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-1	-173.1	-62.7	-3.2	0	0	0	112.2	D112 T116	D112-N114 PolarHBondContact O-N 2.94Å; D112-N114 VanDerWaalsContact O-N 3.14Å; D112-N114 PolarHBondContact OD1-N 3.25Å; N114-T116 HydrophobicContact CB-CG2 3.97Å; N114-T116 PolarHBondContact O-N 2.98Å
115	L	78.6	Confident	83.4	Confident	91 Å²	91	45.9 Å²	45.9	48%	0.476	25%	0.25	S	C	.	.			trans	51	35.8	-176.3	-59.2	173	0	0	0	113.4	D112 Y117 G118 C120	D112-L115 PolarHBondContact O-N 3.43Å; D112-L115 PolarHBondContact OD1-N 3.18Å; L115-Y117 PolarHBondContact O-N 3.39Å; L115-Y117 VanDerWaalsContact O-N 3.15Å; L115-G118 PolarHBondContact O-N 3.3Å; L115-C120 HydrophobicContact CD2-CB 4.37Å
116	T	72.1	Confident	83.4	Confident	81 Å²	81	39.8 Å²	39.8	50%	0.497	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.2	-179.3	58.3	0	0	0	0	114.1	D112 N114	D112-T116 VanDerWaalsContact CG-OG1 3.32Å; D112-T116 PolarHBondContact OD1-N 3.34Å; D112-T116 PolarHBondContact OD1-OG1 3.39Å; D112-T116 WeakPolarHBondContact OD2-CA 3.17Å; D112-T116 PolarHBondContact OD2-N 2.74Å; D112-T116 PolarHBondContact OD2-OG1 3.34Å; N114-T116 HydrophobicContact CB-CG2 3.97Å; N114-T116 PolarHBondContact O-N 2.98Å
117	Y	76.1	Confident	83.1	Confident	77 Å²	77	38 Å²	38	30%	0.302	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	22.4	172.6	-53.5	-72.3	0	0	0	113.7	H40 D112 L115 Q119 Y122	H40-Y117 HydrophobicContact CB-CD1 3.72Å; H40-Y117 HydrophobicContact CB-CE1 4.2Å; D112-Y117 PolarHBondContact OD2-N 3.06Å; L115-Y117 PolarHBondContact O-N 3.39Å; L115-Y117 VanDerWaalsContact O-N 3.15Å; Y117-Q119 VanDerWaalsContact C-N 3.25Å; Y117-Q119 PolarHBondContact O-N 3.41Å; Y117-Q119 VanDerWaalsContact O-N 3.16Å; Y117-Y122 AromaticContact CD2-CD1 3.93Å; Y117-Y122 HydrophobicContact CD2-CD1 3.93Å; Y117-Y122 AromaticContact CD2-CE1 4Å; Y117-Y122 HydrophobicContact CD2-CE1 4Å; Y117-Y122 HydrophobicContact CE2-CD1 4.46Å; Y117-Y122 HydrophobicContact CE2-CE1 4.14Å
118	G	66.8	Low	82.7	Confident	55 Å²	55	44.8 Å²	44.8	57%	0.567	25%	0.251	S	S	*	.	S	Bend	trans	72.8	2.2	170.9	0	0	0	0	0	116.7	L115	L115-G118 PolarHBondContact O-N 3.3Å
119	Q	80.8	Confident	82.2	Confident	71 Å²	71	45.1 Å²	45.1	33%	0.332	25%	0.253	S	S	.	.	S	Bend	trans	-138	150.6	175.8	-55.5	-174.7	25.1	0	0	110	P46 V48 Y117 F121	P46-Q119 VanDerWaalsContact C-OE1 3.3Å; P46-Q119 HydrophobicContact CB-CB 4.01Å; P46-Q119 HydrophobicContact CB-CG 3.95Å; P46-Q119 PolarHBondContact O-OE1 2.79Å; V48-Q119 HydrophobicContact CG2-CB 4.15Å; V48-Q119 HydrophobicContact CG2-CG 4.1Å; V48-Q119 VanDerWaalsContact N-OE1 3.13Å; Y117-Q119 VanDerWaalsContact C-N 3.25Å; Y117-Q119 PolarHBondContact O-N 3.41Å; Y117-Q119 VanDerWaalsContact O-N 3.16Å; Q119-F121 PolarHBondContact O-N 3.09Å
120	C	82.1	Confident	81.9	Confident	51 Å²	51	45.8 Å²	45.8	35%	0.345	26%	0.256	S	S	.	.	S	Bend	trans	-68.2	-18	-170.8	-47.6	0	0	0	0	114.4	F111 D112 L115	F111-C120 WeakPolarHBondContact CA-O 3.48Å; F111-C120 WeakPolarHBondContact CD2-O 3.25Å; F111-C120 HydrophobicContact CE2-CB 4.46Å; D112-C120 PolarHBondContact N-O 2.84Å; L115-C120 HydrophobicContact CD2-CB 4.37Å
121	F	87.7	Confident	81.5	Confident	2 Å²	2	50 Å²	50	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.8	174.7	-63.7	-88.1	0	0	0	110.8	L47 L49 Q54 C59 I61 L109 V110 F111 Q119	L47-F121 PolarHBondContact N-O 2.63Å; L47-F121 PolarHBondContact O-N 3.03Å; L47-F121 VanDerWaalsContact O-O 3.12Å; L49-F121 HydrophobicContact CB-CD2 4.09Å; L49-F121 HydrophobicContact CB-CE2 4.16Å; L49-F121 HydrophobicContact CD1-CD1 4.39Å; L49-F121 HydrophobicContact CD1-CD2 4.08Å; L49-F121 HydrophobicContact CD1-CE2 4.32Å; L49-F121 HydrophobicContact CD1-CG 4.12Å; L49-F121 HydrophobicContact CG-CD2 3.99Å; L49-F121 HydrophobicContact CG-CE2 4.43Å; L49-F121 HydrophobicContact CG-CG 4.32Å; Q54-F121 HydrophobicContact CG-CE2 4.23Å; Q54-F121 HydrophobicContact CG-CZ 4.26Å; C59-F121 WeakPolarHBondContact O-CZ 3.42Å; I61-F121 HydrophobicContact CD1-CE2 4.13Å; I61-F121 HydrophobicContact CD1-CZ 4.23Å; I61-F121 HydrophobicContact CG1-CE2 4.14Å; I61-F121 HydrophobicContact CG1-CZ 3.73Å; L109-F121 HydrophobicContact CD1-CB 4.11Å; L109-F121 HydrophobicContact CD1-CD1 4.41Å; L109-F121 HydrophobicContact CD2-CD1 3.9Å; L109-F121 HydrophobicContact CD2-CE1 4.22Å; L109-F121 HydrophobicContact CG-CD1 4.08Å; V110-F121 CarbonylContact O-C 3.56Å; V110-F121 WeakPolarHBondContact O-CA 3.34Å; F111-F121 HydrophobicContact CB-CD1 4.07Å; F111-F121 HydrophobicContact CB-CE1 3.98Å; F111-F121 HydrophobicContact CD2-CD1 4.39Å; F111-F121 HydrophobicContact CD2-CE1 4.07Å; F111-F121 HydrophobicContact CD2-CZ 4.24Å; F111-F121 HydrophobicContact CG-CE1 4.46Å; Q119-F121 PolarHBondContact O-N 3.09Å
122	Y	89.6	Confident	81	Confident	34 Å²	34	55.3 Å²	55.3	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.5	161.8	59.5	-99.4	0	0	0	111.7	I44 F45 V110 D112 Y117 V124	I44-Y122 HydrophobicContact CD1-CD2 4.32Å; I44-Y122 HydrophobicContact CD1-CE2 4.04Å; I44-Y122 HydrophobicContact CG1-CD2 4.45Å; I44-Y122 HydrophobicContact CG2-CD2 3.42Å; I44-Y122 VanDerWaalsContact CG2-CD2 3.42Å; I44-Y122 HydrophobicContact CG2-CE2 4.18Å; I44-Y122 HydrophobicContact CG2-CG 3.65Å; F45-Y122 CarbonylContact O-C 3.57Å; F45-Y122 WeakPolarHBondContact O-CA 3.27Å; V110-Y122 HydrophobicContact CB-CD1 4.45Å; V110-Y122 HydrophobicContact CB-CD2 3.95Å; V110-Y122 HydrophobicContact CB-CE1 4.05Å; V110-Y122 HydrophobicContact CB-CE2 3.52Å; V110-Y122 HydrophobicContact CB-CG 4.41Å; V110-Y122 HydrophobicContact CG1-CE1 4.1Å; V110-Y122 HydrophobicContact CG1-CE2 4.11Å; V110-Y122 HydrophobicContact CG2-CD2 4.16Å; V110-Y122 HydrophobicContact CG2-CE2 3.58Å; V110-Y122 PolarHBondContact N-O 3.04Å; V110-Y122 PolarHBondContact O-N 2.75Å; D112-Y122 HydrophobicContact CB-CD1 4.07Å; D112-Y122 HydrophobicContact CB-CE1 4.07Å; Y117-Y122 AromaticContact CD2-CD1 3.93Å; Y117-Y122 HydrophobicContact CD2-CD1 3.93Å; Y117-Y122 AromaticContact CD2-CE1 4Å; Y117-Y122 HydrophobicContact CD2-CE1 4Å; Y117-Y122 HydrophobicContact CE2-CD1 4.46Å; Y117-Y122 HydrophobicContact CE2-CE1 4.14Å; Y122-V124 HydrophobicContact CD2-CG2 4.3Å; Y122-V124 HydrophobicContact CE2-CG2 4.24Å
123	L	88.6	Confident	80.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.3	176	-170.4	71.1	0	0	0	109.4	F45 L47 V95 V99 M107 L109 L125	F45-L123 PolarHBondContact N-O 2.99Å; F45-L123 PolarHBondContact O-N 2.61Å; L47-L123 HydrophobicContact CD1-CB 3.8Å; L47-L123 HydrophobicContact CD1-CD2 4.46Å; V95-L123 HydrophobicContact CG2-CD2 4.04Å; V99-L123 HydrophobicContact CG2-CD2 3.96Å; M107-L123 HydrophobicContact CB-CD1 4.08Å; M107-L123 HydrophobicContact CE-CD1 4.49Å; M107-L123 HydrophobicContact CE-CD2 3.81Å; M107-L123 HydrophobicContact CE-CG 4.02Å; M107-L123 HydrophobicContact SD-CD2 4.29Å; L109-L123 HydrophobicContact CB-CD1 4.45Å; L109-L123 HydrophobicContact CD1-CD1 4.33Å; L123-L125 HydrophobicContact CD2-CD2 4.13Å; L123-L125 HydrophobicContact CG-CD2 4.3Å
124	V	88.4	Confident	80.6	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.3	-179.8	-176	0	0	0	0	109.7	L108 V110 Y122 K130 I133	L108-V124 HydrophobicContact CB-CB 4.24Å; L108-V124 HydrophobicContact CB-CG2 4.22Å; L108-V124 HydrophobicContact CD2-CG2 4.29Å; L108-V124 HydrophobicContact CG-CG2 4.47Å; L108-V124 PolarHBondContact O-N 3.38Å; V110-V124 HydrophobicContact CG2-CG2 4.2Å; Y122-V124 HydrophobicContact CD2-CG2 4.3Å; Y122-V124 HydrophobicContact CE2-CG2 4.24Å; V124-K130 HydrophobicContact CG1-CB 4.37Å; V124-I133 HydrophobicContact CG1-CD1 4.46Å; V124-I133 HydrophobicContact CG2-CD1 3.73Å
125	L	85	Confident	80	Confident	35 Å²	35	58.3 Å²	58.3	18%	0.183	30%	0.299	C	S	.	.			trans	-97.8	-8.4	-169.2	-61.9	-168.5	0	0	0	114.9	D43 F45 A98 Y102 M107 L123	D43-L125 PolarHBondContact O-N 3.24Å; F45-L125 HydrophobicContact CB-CD1 3.85Å; F45-L125 HydrophobicContact CB-CD2 4.4Å; F45-L125 HydrophobicContact CB-CG 4.12Å; A98-L125 HydrophobicContact CB-CD1 3.82Å; A98-L125 HydrophobicContact CB-CD2 3.88Å; A98-L125 HydrophobicContact CB-CG 4.39Å; Y102-L125 VanDerWaalsContact CD2-O 3.24Å; Y102-L125 WeakPolarHBondContact CD2-O 3.49Å; Y102-L125 WeakPolarHBondContact CE2-O 3.25Å; M107-L125 HydrophobicContact CE-CD2 4.01Å; L123-L125 HydrophobicContact CD2-CD2 4.13Å; L123-L125 HydrophobicContact CG-CD2 4.3Å
126	T	84.8	Confident	78.5	Confident	39 Å²	39	58.7 Å²	58.7	24%	0.239	31%	0.305	C	S	.	.			trans	-122	143	174.8	59.9	0	0	0	0	112.4	D43 E128 S129 K130	D43-T126 WeakPolarHBondContact OD1-CB 3.46Å; D43-T126 WeakPolarHBondContact OD1-CG2 3.49Å; D43-T126 PolarHBondContact OD1-OG1 2.83Å; T126-E128 VanDerWaalsContact C-N 3.3Å; T126-E128 PolarHBondContact O-N 3.43Å; T126-S129 PolarHBondContact O-N 3.09Å; T126-S129 VanDerWaalsContact OG1-CB 3.27Å; T126-S129 WeakPolarHBondContact OG1-CB 3.32Å; T126-S129 PolarHBondContact OG1-OG 3.47Å; T126-K130 PolarHBondContact O-N 2.97Å; T126-K130 VanDerWaalsContact O-N 3.09Å
127	P	82.6	Confident	77	Confident	38 Å²	38	60 Å²	60	25%	0.247	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-34.6	179.2	27.5	-35.2	0	0	0	111.6	P103 E104 S129 K130 E131	P103-P127 HydrophobicContact CG-CG 3.93Å; E104-P127 HydrophobicContact CG-CB 4.42Å; E104-P127 WeakPolarHBondContact OE1-CB 3.37Å; P127-S129 VanDerWaalsContact C-N 3.27Å; P127-S129 PolarHBondContact O-N 3.16Å; P127-K130 WeakPolarHBondContact O-CB 3.4Å; P127-K130 PolarHBondContact O-N 2.97Å; P127-E131 PolarHBondContact O-N 3.45Å
128	E	81.6	Confident	75.1	Confident	143 Å²	143	66.1 Å²	66.1	67%	0.668	35%	0.346	S	S	*	.	H	α-helix	trans	-61	-34.7	174.4	-61.1	-175.8	-167.7	0	0	112.1	T126 R132	T126-E128 VanDerWaalsContact C-N 3.3Å; T126-E128 PolarHBondContact O-N 3.43Å; E128-R132 WeakPolarHBondContact O-CB 3.49Å; E128-R132 WeakPolarHBondContact O-CG 3.17Å; E128-R132 PolarHBondContact O-N 3.26Å; E128-R132 PolarHBondContact O-NE 2.97Å
129	S	80.1	Confident	73.4	Confident	6 Å²	6	67.4 Å²	67.4	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-74.7	-40.8	174.6	-61.4	0	0	0	0	113	D43 T126 P127 E131 R132 I133	D43-S129 VanDerWaalsContact CB-OG 3.28Å; D43-S129 WeakPolarHBondContact CB-OG 3.32Å; D43-S129 PolarHBondContact OD1-OG 2.76Å; D43-S129 PolarHBondContact OD2-OG 3Å; T126-S129 PolarHBondContact O-N 3.09Å; T126-S129 VanDerWaalsContact OG1-CB 3.27Å; T126-S129 WeakPolarHBondContact OG1-CB 3.32Å; T126-S129 PolarHBondContact OG1-OG 3.47Å; P127-S129 VanDerWaalsContact C-N 3.27Å; P127-S129 PolarHBondContact O-N 3.16Å; S129-E131 VanDerWaalsContact C-N 3.31Å; S129-E131 PolarHBondContact O-N 2.94Å; S129-R132 PolarHBondContact O-N 2.9Å; S129-R132 PolarHBondContact OG-NH2 3.25Å; S129-I133 WeakPolarHBondContact O-CG1 3.33Å; S129-I133 PolarHBondContact O-N 2.81Å
130	K	83.1	Confident	71.1	Confident	17 Å²	17	73.1 Å²	73.1	7%	0.074	38%	0.378	C	S	.	.	H	α-helix	trans	-56.8	-47.6	172	170	-178.3	174.7	-168.1	0	110.1	Y102 E104 E106 L108 V124 T126 P127 L134	Y102-K130 WeakPolarHBondContact OH-CD 3.48Å; E104-K130 IonicContact OE2-NZ 2.7Å; E104-K130 PolarHBondContact OE2-NZ 2.77Å; E106-K130 PolarHBondContact O-NZ 3.4Å; L108-K130 HydrophobicContact CB-CB 4.44Å; L108-K130 HydrophobicContact CB-CG 4.12Å; V124-K130 HydrophobicContact CG1-CB 4.37Å; T126-K130 PolarHBondContact O-N 2.97Å; T126-K130 VanDerWaalsContact O-N 3.09Å; P127-K130 WeakPolarHBondContact O-CB 3.4Å; P127-K130 PolarHBondContact O-N 2.97Å; K130-L134 HydrophobicContact CG-CD1 3.85Å; K130-L134 WeakPolarHBondContact O-CB 3.44Å; K130-L134 VanDerWaalsContact O-CG 3.23Å; K130-L134 WeakPolarHBondContact O-CG 3.32Å; K130-L134 PolarHBondContact O-N 3.14Å
131	E	80.1	Confident	68.7	Low	95 Å²	95	80 Å²	80	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-44.8	174.3	-74.5	-145.1	125.4	0	0	112.7	P127 S129 I133 L134 K135	P127-E131 PolarHBondContact O-N 3.45Å; S129-E131 VanDerWaalsContact C-N 3.31Å; S129-E131 PolarHBondContact O-N 2.94Å; E131-I133 PolarHBondContact O-N 2.86Å; E131-L134 PolarHBondContact O-N 3.28Å; E131-K135 HydrophobicContact CB-CD 4.28Å; E131-K135 WeakPolarHBondContact O-CB 3.26Å; E131-K135 WeakPolarHBondContact O-CG 3.41Å; E131-K135 PolarHBondContact O-N 2.92Å; E131-K135 VanDerWaalsContact OE1-CE 3.31Å; E131-K135 WeakPolarHBondContact OE1-CE 3.32Å; E131-K135 IonicContact OE1-NZ 3.69Å; E131-K135 PolarHBondContact OE1-NZ 3.17Å; E131-K135 IonicContact OE2-NZ 3.66Å; E131-K135 PolarHBondContact OE2-NZ 3.38Å
132	R	78.4	Confident	66.2	Low	137 Å²	137	87.3 Å²	87.3	52%	0.517	44%	0.444	S	S	.	.	H	α-helix	trans	-58.1	-46.8	178.8	-80.4	178.2	-64.7	-173.9	10.1	111.7	D43 E128 S129 K135 T136	D43-R132 IonicContact OD1-NH2 2.6Å; D43-R132 IonicContact OD2-CZ 3.56Å; D43-R132 IonicContact OD2-NH2 3.56Å; D43-R132 PolarHBondContact OD2-NH2 3.07Å; E128-R132 WeakPolarHBondContact O-CB 3.49Å; E128-R132 WeakPolarHBondContact O-CG 3.17Å; E128-R132 PolarHBondContact O-N 3.26Å; E128-R132 PolarHBondContact O-NE 2.97Å; S129-R132 PolarHBondContact O-N 2.9Å; S129-R132 PolarHBondContact OG-NH2 3.25Å; R132-K135 PolarHBondContact O-N 2.99Å; R132-T136 PolarHBondContact O-N 2.85Å; R132-T136 PolarHBondContact O-OG1 2.93Å
133	I	78.1	Confident	63.6	Low	45 Å²	45	92.6 Å²	92.6	23%	0.231	47%	0.474	C	S	.	.	H	α-helix	trans	-64.8	-46.6	179	-67	163.6	0	0	0	110.6	L108 V124 S129 E131 K135 T136	L108-I133 HydrophobicContact CD2-CB 4.08Å; L108-I133 HydrophobicContact CD2-CD1 4.41Å; L108-I133 HydrophobicContact CD2-CG2 3.83Å; V124-I133 HydrophobicContact CG1-CD1 4.46Å; V124-I133 HydrophobicContact CG2-CD1 3.73Å; S129-I133 WeakPolarHBondContact O-CG1 3.33Å; S129-I133 PolarHBondContact O-N 2.81Å; E131-I133 PolarHBondContact O-N 2.86Å; I133-K135 VanDerWaalsContact C-N 3.28Å; I133-K135 PolarHBondContact O-N 3.03Å; I133-T136 WeakPolarHBondContact O-CB 3.43Å; I133-T136 PolarHBondContact O-N 3.02Å; I133-T136 PolarHBondContact O-OG1 3.25Å
134	L	75.4	Confident	61	Low	77 Å²	77	100.1 Å²	100.1	40%	0.403	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-18.7	178.5	-66.9	171.6	0	0	0	114.2	F71 L108 K130 E131	F71-L134 HydrophobicContact CD2-CD2 4.08Å; F71-L134 HydrophobicContact CE2-CD2 3.65Å; F71-L134 HydrophobicContact CZ-CD2 4.13Å; L108-L134 HydrophobicContact CD1-CD2 4.26Å; L108-L134 HydrophobicContact CD2-CG 4.26Å; K130-L134 HydrophobicContact CG-CD1 3.85Å; K130-L134 WeakPolarHBondContact O-CB 3.44Å; K130-L134 VanDerWaalsContact O-CG 3.23Å; K130-L134 WeakPolarHBondContact O-CG 3.32Å; K130-L134 PolarHBondContact O-N 3.14Å; E131-L134 PolarHBondContact O-N 3.28Å
135	K	59.6	Low	58.3	Low	131 Å²	131	104 Å²	104	57%	0.57	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	8.7	177.5	-65.8	172.4	-174.9	177.2	0	113.3	E131 R132 I133 P137	E131-K135 HydrophobicContact CB-CD 4.28Å; E131-K135 WeakPolarHBondContact O-CB 3.26Å; E131-K135 WeakPolarHBondContact O-CG 3.41Å; E131-K135 PolarHBondContact O-N 2.92Å; E131-K135 VanDerWaalsContact OE1-CE 3.31Å; E131-K135 WeakPolarHBondContact OE1-CE 3.32Å; E131-K135 IonicContact OE1-NZ 3.69Å; E131-K135 PolarHBondContact OE1-NZ 3.17Å; E131-K135 IonicContact OE2-NZ 3.66Å; E131-K135 PolarHBondContact OE2-NZ 3.38Å; R132-K135 PolarHBondContact O-N 2.99Å; I133-K135 VanDerWaalsContact C-N 3.28Å; I133-K135 PolarHBondContact O-N 3.03Å; K135-P137 WeakPolarHBondContact O-CD 3.3Å
136	T	47	Very low	55.8	Low	98 Å²	98	111.7 Å²	111.7	60%	0.601	57%	0.571	S	S	*	*			trans	-56	118.8	179.6	-53.2	0	0	0	0	110.2	R132 I133	R132-T136 PolarHBondContact O-N 2.85Å; R132-T136 PolarHBondContact O-OG1 2.93Å; I133-T136 WeakPolarHBondContact O-CB 3.43Å; I133-T136 PolarHBondContact O-N 3.02Å; I133-T136 PolarHBondContact O-OG1 3.25Å
137	P	41	Very low	53.7	Low	108 Å²	108	119.3 Å²	119.3	70%	0.701	60%	0.601	S	S	*	*			trans	-79.2	129.2	-177	30.4	-33.2	0	0	0	111.4	K135 A139	K135-P137 WeakPolarHBondContact O-CD 3.3Å; P137-A139 PolarHBondContact O-N 3.1Å
138	E	36.2	Very low	51.5	Low	206 Å²	206	128 Å²	128	96%	0.963	63%	0.629	S	S	*	*			trans	-69.2	98.9	169.4	-69	-176.8	134	0	0	110.7
139	A	31.2	Very low	49.3	Very low	83 Å²	83	127.4 Å²	127.4	69%	0.686	64%	0.637	S	S	*	*			trans	-158.6	129.1	171.9	0	0	0	0	0	108.1	P137	P137-A139 PolarHBondContact O-N 3.1Å
140	E	33.3	Very low	47.6	Very low	190 Å²	190	135.9 Å²	135.9	89%	0.888	67%	0.673	S	S	*	*			cis	-144.1	137.4	6.9	-55.8	178.5	119.9	0	0	110.9
141	E	31.2	Very low	46	Very low	197 Å²	197	142.7 Å²	142.7	92%	0.921	71%	0.71	S	S	*	*			trans	-161.4	175.8	141.8	-122.2	178.7	-163.3	0	0	112.9
142	L	35.7	Very low	44.6	Very low	154 Å²	154	148.7 Å²	148.7	81%	0.806	73%	0.728	S	S	*	*			trans	-132.6	154.2	-149.4	-74.8	170.4	0	0	0	111.9
143	L	33.4	Very low	43.5	Very low	146 Å²	146	147.5 Å²	147.5	76%	0.764	73%	0.731	S	S	*	*			cis	-156.7	160.6	7.5	-93.9	139.8	0	0	0	107.2
144	E	35.4	Very low	42.4	Very low	157 Å²	157	148.3 Å²	148.3	73%	0.734	74%	0.739	S	S	*	*			cis	-156.1	165.6	-17.3	-156.5	-143.1	128.3	0	0	108.6
145	S	31.4	Very low	41.4	Very low	83 Å²	83	152 Å²	152	58%	0.58	76%	0.759	S	S	*	*			trans	74.4	88.3	148.7	71.8	0	0	0	0	121.1
146	E	33.3	Very low	41.6	Very low	196 Å²	196	147.5 Å²	147.5	92%	0.916	75%	0.75	S	S	*	*				-114.3	143.6	123.5	-81.4	-150.3	147.9	0	0	110.1	R148	E146-R148 PolarHBondContact O-N 3.44Å
147	K	40.4	Very low	42.1	Very low	198 Å²	198	146 Å²	146	86%	0.861	74%	0.743	S	S	*	*			trans	-94.1	97.9	-170.8	-71.8	176.5	-179.6	169.7	0	112.4
148	R	36.6	Very low	43	Very low	222 Å²	222	145.1 Å²	145.1	84%	0.838	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-91.9	144.8	153.2	-64.6	-174.4	-176.9	-173.5	2.4	109.3	E146 K150	E146-R148 PolarHBondContact O-N 3.44Å; R148-K150 PolarHBondContact O-N 3.28Å
149	P	35.4	Very low	44	Very low	130 Å²	130	142.7 Å²	142.7	84%	0.844	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-63.6	121.9	179.8	26	-33.5	0	0	0	109.6	L151	P149-L151 PolarHBondContact O-N 2.88Å
150	K	43.9	Very low	45.3	Very low	184 Å²	184	145.7 Å²	145.7	80%	0.8	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.4	134.1	175.2	-68.3	-169.3	176.2	-171.7	0	109.2	R148	R148-K150 PolarHBondContact O-N 3.28Å
151	L	48.2	Very low	46.4	Very low	159 Å²	159	143.2 Å²	143.2	83%	0.832	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-54.3	149.5	159.6	-73.3	163.4	0	0	0	108.8	P149 I153	P149-L151 PolarHBondContact O-N 2.88Å; L151-I153 PolarHBondContact O-N 2.85Å
152	W	52.5	Low	47.7	Very low	221 Å²	221	141.4 Å²	141.4	84%	0.837	70%	0.699	S	S	*	*			trans	-59	109.9	178.1	177.6	-77.3	0	0	0	109.3	P154	W152-P154 WeakPolarHBondContact O-CD 3.43Å
153	I	55.1	Low	48.8	Very low	113 Å²	113	140.3 Å²	140.3	58%	0.579	69%	0.689	S	S	*	*			trans	-90.4	114.7	173.3	-60.5	177.2	0	0	0	107.1	L151 L155	L151-I153 PolarHBondContact O-N 2.85Å; I153-L155 HydrophobicContact CG2-CD2 4.47Å; I153-L155 PolarHBondContact O-N 3.42Å
154	P	53.4	Low	50.1	Low	61 Å²	61	138.7 Å²	138.7	40%	0.396	69%	0.688	S	S	.	*			trans	-78.3	107.9	-176.3	30.7	-34.7	0	0	0	111.5	W152 G156 E158	W152-P154 WeakPolarHBondContact O-CD 3.43Å; P154-G156 PolarHBondContact O-N 3.03Å; P154-E158 HydrophobicContact CB-CG 3.77Å; P154-E158 WeakPolarHBondContact CB-OE1 3.39Å; P154-E158 WeakPolarHBondContact CB-OE2 3.48Å; P154-E158 VanDerWaalsContact CG-OE1 3.25Å; P154-E158 WeakPolarHBondContact CG-OE1 3.22Å
155	L	55.1	Low	51.2	Low	155 Å²	155	137.3 Å²	137.3	81%	0.812	69%	0.689	S	S	*	*			trans	-80.5	47.5	-179.3	-62.5	174.2	0	0	0	112.3	I153 S157	I153-L155 HydrophobicContact CG2-CD2 4.47Å; I153-L155 PolarHBondContact O-N 3.42Å; L155-S157 PolarHBondContact O-N 3.38Å; L155-S157 VanDerWaalsContact O-N 3.14Å
156	G	64.6	Low	52.7	Low	37 Å²	37	141.2 Å²	141.2	38%	0.381	70%	0.696	S	S	.	*	S	Bend	trans	78.3	-18	176.8	0	0	0	0	0	116.1	P154 E158 K159 E160	P154-G156 PolarHBondContact O-N 3.03Å; G156-E158 PolarHBondContact O-N 3.38Å; G156-E158 VanDerWaalsContact O-N 3.12Å; G156-K159 WeakPolarHBondContact O-CB 3.36Å; G156-K159 PolarHBondContact O-N 3.11Å; G156-E160 PolarHBondContact O-N 3.33Å
157	S	57	Low	54.1	Low	67 Å²	67	138 Å²	138	47%	0.469	68%	0.681	S	S	.	*	H	α-helix	trans	-56.8	-30.7	-177.6	-47.2	0	0	0	0	114.1	L155 K159 E160 I161	L155-S157 PolarHBondContact O-N 3.38Å; L155-S157 VanDerWaalsContact O-N 3.14Å; S157-K159 VanDerWaalsContact C-N 3.33Å; S157-E160 WeakPolarHBondContact O-CB 3.28Å; S157-E160 PolarHBondContact O-N 2.66Å; S157-I161 WeakPolarHBondContact O-CG1 3.22Å; S157-I161 PolarHBondContact O-N 2.95Å
158	E	59.8	Low	55	Low	89 Å²	89	135.3 Å²	135.3	42%	0.416	68%	0.681	S	S	.	*	H	α-helix	trans	-74	-20.8	175.5	58	-166.7	-145.9	0	0	113.7	P154 G156 I161 E162	P154-E158 HydrophobicContact CB-CG 3.77Å; P154-E158 WeakPolarHBondContact CB-OE1 3.39Å; P154-E158 WeakPolarHBondContact CB-OE2 3.48Å; P154-E158 VanDerWaalsContact CG-OE1 3.25Å; P154-E158 WeakPolarHBondContact CG-OE1 3.22Å; G156-E158 PolarHBondContact O-N 3.38Å; G156-E158 VanDerWaalsContact O-N 3.12Å; E158-I161 CarbonylContact O-C 3.59Å; E158-I161 PolarHBondContact O-N 2.65Å; E158-I161 VanDerWaalsContact O-N 3.14Å; E158-E162 WeakPolarHBondContact O-CG 3.46Å; E158-E162 PolarHBondContact O-N 3.37Å
159	K	57.5	Low	56.3	Low	154 Å²	154	134 Å²	134	67%	0.67	68%	0.676	S	S	*	*	H	α-helix	trans	-73.4	-29	167.9	-66.2	-174.5	175.8	-179.6	0	112.2	G156 S157 I161 E163	G156-K159 WeakPolarHBondContact O-CB 3.36Å; G156-K159 PolarHBondContact O-N 3.11Å; S157-K159 VanDerWaalsContact C-N 3.33Å; K159-I161 PolarHBondContact O-N 3.21Å; K159-E163 WeakPolarHBondContact O-CB 3.48Å; K159-E163 WeakPolarHBondContact O-CG 3.32Å; K159-E163 PolarHBondContact O-N 2.94Å
160	E	58.7	Low	57.8	Low	146 Å²	146	136.8 Å²	136.8	68%	0.682	68%	0.678	S	S	*	*	H	α-helix	trans	-71.5	-17.5	166.9	-65.8	-175.5	120.2	0	0	112.9	G156 S157	G156-E160 PolarHBondContact O-N 3.33Å; S157-E160 WeakPolarHBondContact O-CB 3.28Å; S157-E160 PolarHBondContact O-N 2.66Å
161	I	55.8	Low	58.7	Low	138 Å²	138	134.9 Å²	134.9	71%	0.708	67%	0.67	S	S	*	*	H	α-helix	trans	-92.7	-31.7	177	-65.4	164.7	0	0	0	111.4	S157 E158 K159	S157-I161 WeakPolarHBondContact O-CG1 3.22Å; S157-I161 PolarHBondContact O-N 2.95Å; E158-I161 CarbonylContact O-C 3.59Å; E158-I161 PolarHBondContact O-N 2.65Å; E158-I161 VanDerWaalsContact O-N 3.14Å; K159-I161 PolarHBondContact O-N 3.21Å
162	E	57.9	Low	58.9	Low	160 Å²	160	134.8 Å²	134.8	75%	0.748	67%	0.669	S	S	*	*	H	α-helix	trans	-79	-23.4	171.2	-70.6	-175.7	155	0	0	112.9	E158	E158-E162 WeakPolarHBondContact O-CG 3.46Å; E158-E162 PolarHBondContact O-N 3.37Å
163	E	60	Low	58.6	Low	131 Å²	131	136 Å²	136	61%	0.612	67%	0.674	S	S	*	*	S	Bend	trans	-66.1	130.9	167.7	-88.1	-162.6	-164.1	0	0	111.4	K159 V165	K159-E163 WeakPolarHBondContact O-CB 3.48Å; K159-E163 WeakPolarHBondContact O-CG 3.32Å; K159-E163 PolarHBondContact O-N 2.94Å; E163-V165 PolarHBondContact O-N 3.09Å
164	P	60.1	Low	57.9	Low	112 Å²	112	138.2 Å²	138.2	73%	0.727	69%	0.686	S	S	*	*			trans	-68.8	106.2	179.5	26.8	-33.6	0	0	0	110.9	K166	P164-K166 PolarHBondContact O-N 3.24Å; P164-K166 VanDerWaalsContact O-N 3.09Å
165	V	59.2	Low	57.7	Low	127 Å²	127	144.9 Å²	144.9	77%	0.77	71%	0.709	S	S	*	*			trans	-48.1	111.5	-176	-179.4	0	0	0	0	112.3	E163	E163-V165 PolarHBondContact O-N 3.09Å
166	K	63.3	Low	56.9	Low	166 Å²	166	144.9 Å²	144.9	72%	0.722	71%	0.709	S	S	*	*			trans	-77.7	127.8	174.7	-69.5	168	-175	154.9	0	110.2	P164 T168	P164-K166 PolarHBondContact O-N 3.24Å; P164-K166 VanDerWaalsContact O-N 3.09Å; K166-T168 PolarHBondContact O-N 2.95Å
167	E	61.1	Low	55.9	Low	127 Å²	127	152.5 Å²	152.5	59%	0.593	73%	0.726	S	S	*	*			trans	-75	94.4	-177.3	-60.8	-168.7	-154.9	0	0	111.7	R169 K171	E167-R169 VanDerWaalsContact C-N 3.26Å; E167-R169 PolarHBondContact O-N 3.34Å; E167-K171 VanDerWaalsContact CD-CE 3.43Å; E167-K171 IonicContact OE1-NZ 2.71Å; E167-K171 PolarHBondContact OE1-NZ 3.19Å; E167-K171 WeakPolarHBondContact OE2-CD 3.2Å; E167-K171 WeakPolarHBondContact OE2-CE 3.44Å; E167-K171 IonicContact OE2-NZ 2.63Å; E167-K171 PolarHBondContact OE2-NZ 3.03Å
168	T	60.4	Low	55.1	Low	142 Å²	142	157.6 Å²	157.6	87%	0.871	75%	0.747	S	S	*	*			trans	-81.1	6.2	-176.2	48.7	0	0	0	0	115.1	K166	K166-T168 PolarHBondContact O-N 2.95Å
169	R	63.3	Low	54.3	Low	195 Å²	195	158 Å²	158	74%	0.736	75%	0.752	S	S	*	*	S	Bend	trans	-153.9	155.8	172.8	64.6	175.7	-178.1	163.5	-0.1	111	E167 K171	E167-R169 VanDerWaalsContact C-N 3.26Å; E167-R169 PolarHBondContact O-N 3.34Å; R169-K171 PolarHBondContact O-N 3.43Å
170	E	66.6	Low	53.6	Low	188 Å²	188	161.2 Å²	161.2	88%	0.879	76%	0.76	S	S	*	*			trans	-61	133	167.4	-64.8	-168.3	149.5	0	0	111	L172	E170-L172 PolarHBondContact O-N 3.27Å
171	K	63.2	Low	52.8	Low	144 Å²	144	162.8 Å²	162.8	63%	0.626	77%	0.767	S	S	*	*			trans	-73	117.1	176.8	-77.7	172.5	171.6	157.3	0	110.9	E167 R169 R173	E167-K171 VanDerWaalsContact CD-CE 3.43Å; E167-K171 IonicContact OE1-NZ 2.71Å; E167-K171 PolarHBondContact OE1-NZ 3.19Å; E167-K171 WeakPolarHBondContact OE2-CD 3.2Å; E167-K171 WeakPolarHBondContact OE2-CE 3.44Å; E167-K171 IonicContact OE2-NZ 2.63Å; E167-K171 PolarHBondContact OE2-NZ 3.03Å; R169-K171 PolarHBondContact O-N 3.43Å; K171-R173 PolarHBondContact O-N 2.92Å; K171-R173 VanDerWaalsContact O-N 3.15Å
172	L	52.6	Low	52	Low	157 Å²	157	159.4 Å²	159.4	82%	0.822	77%	0.766	S	S	*	*			trans	-58	114.9	171.6	-79.4	167.9	0	0	0	111	E170 L174	E170-L172 PolarHBondContact O-N 3.27Å; L172-L174 PolarHBondContact O-N 3.42Å; L172-L174 VanDerWaalsContact O-N 3.14Å
173	R	46.6	Very low	51.5	Low	246 Å²	246	161.2 Å²	161.2	93%	0.928	78%	0.775	S	S	*	*			trans	-77	95.3	176.8	-67.4	-178.9	178.2	178.2	-0.8	110.9	K171 K175	K171-R173 PolarHBondContact O-N 2.92Å; K171-R173 VanDerWaalsContact O-N 3.15Å; R173-K175 PolarHBondContact O-N 3.23Å
174	L	40.8	Very low	50.9	Low	160 Å²	160	160 Å²	160	84%	0.838	78%	0.781	S	S	*	*			trans	-72	108	168.1	-84.6	163.3	0	0	0	110.4	L172 L176	L172-L174 PolarHBondContact O-N 3.42Å; L172-L174 VanDerWaalsContact O-N 3.14Å; L174-L176 PolarHBondContact O-N 3.03Å
175	K	49	Very low	50	Low	201 Å²	201	163.1 Å²	163.1	87%	0.874	79%	0.786	S	S	*	*			trans	-91.7	80.1	175.1	-170.8	178.9	-178.6	176.8	0	110.6	R173	R173-K175 PolarHBondContact O-N 3.23Å
176	L	37.3	Very low	49.2	Very low	156 Å²	156	162.7 Å²	162.7	82%	0.817	78%	0.783	S	S	*	*			trans	-78	132.8	168.6	-69.2	174.7	0	0	0	110.1	L174	L174-L176 PolarHBondContact O-N 3.03Å
177	R	43.9	Very low	48.1	Very low	196 Å²	196	160.8 Å²	160.8	74%	0.74	79%	0.79	S	S	*	*			trans	-108.1	109.5	176.8	176.7	179.4	173.6	141.7	9.4	108.5	D179	R177-D179 IonicContact CZ-OD1 2.71Å; R177-D179 VanDerWaalsContact CZ-OD1 3.23Å; R177-D179 IonicContact CZ-OD2 2.89Å; R177-D179 IonicContact NE-OD1 3.15Å; R177-D179 PolarHBondContact NE-OD1 2.86Å; R177-D179 IonicContact NE-OD2 2.85Å; R177-D179 PolarHBondContact NE-OD2 2.69Å; R177-D179 IonicContact NH2-OD1 3.49Å; R177-D179 PolarHBondContact NH2-OD1 3.18Å; R177-D179 IonicContact NH2-OD2 3.23Å
178	L	40.5	Very low	47.2	Very low	174 Å²	174	163.7 Å²	163.7	91%	0.911	80%	0.801	S	S	*	*			trans	-90.8	121.5	161.3	-83.6	153.2	0	0	0	107.4
179	D	42.8	Very low	46.4	Very low	97 Å²	97	162.2 Å²	162.2	52%	0.519	80%	0.796	S	S	.	*			trans	-96	143.8	173.2	-79.9	-60.6	0	0	0	110.2	R177	R177-D179 IonicContact CZ-OD1 2.71Å; R177-D179 VanDerWaalsContact CZ-OD1 3.23Å; R177-D179 IonicContact CZ-OD2 2.89Å; R177-D179 IonicContact NE-OD1 3.15Å; R177-D179 PolarHBondContact NE-OD1 2.86Å; R177-D179 IonicContact NE-OD2 2.85Å; R177-D179 PolarHBondContact NE-OD2 2.69Å; R177-D179 IonicContact NH2-OD1 3.49Å; R177-D179 PolarHBondContact NH2-OD1 3.18Å; R177-D179 IonicContact NH2-OD2 3.23Å
180	R	43	Very low	46	Very low	223 Å²	223	160 Å²	160	84%	0.842	80%	0.799	S	S	*	*			trans	72.3	136.6	179.6	-52	177.9	-168.5	-169.5	1.8	114.5
181	E	42.3	Very low	44.8	Very low	178 Å²	178	162.9 Å²	162.9	83%	0.832	80%	0.802	S	S	*	*			cis	-146.4	149.7	-11.2	-97.1	145.1	-139.5	0	0	105
182	G	39	Very low	44.4	Very low	67 Å²	67	159.8 Å²	159.8	69%	0.691	79%	0.792	S	S	*	*			cis	156.9	65.9	3	0	0	0	0	0	112.3
183	Q	46	Very low	44.4	Very low	199 Å²	199	157.7 Å²	157.7	93%	0.93	79%	0.789	S	S	*	*			trans	-158.2	129.3	154.4	-114.7	162.5	26.3	0	0	114.4
184	S	47.8	Very low	44.6	Very low	105 Å²	105	149.2 Å²	149.2	73%	0.734	77%	0.771	S	S	*	*			trans	-60.2	175.8	176.4	-52.8	0	0	0	0	115.1
185	E	40.4	Very low	45.1	Very low	177 Å²	177	151.1 Å²	151.1	83%	0.827	78%	0.776	S	S	*	*			cis	-168.7	126.5	-29.2	-103.4	177.9	-176.7	0	0	104.7
186	V	44.2	Very low	44.8	Very low	119 Å²	119	145.2 Å²	145.2	72%	0.721	76%	0.76	S	S	*	*			trans	-143.5	104.9	165.1	-172.1	0	0	0	0	109
187	C	39.6	Very low	45.6	Very low	126 Å²	126	147.3 Å²	147.3	85%	0.851	76%	0.762	S	S	*	*			trans	-75.9	128	160.7	-79.3	0	0	0	0	108.7
188	F	42.1	Very low	45.6	Very low	188 Å²	188	138.5 Å²	138.5	83%	0.825	73%	0.73	S	S	*	*			trans	-74.7	139.7	165.1	-68.5	-90.2	0	0	0	109.4
189	S	42.6	Very low	46	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	71%	0.71	S	S	*	*			trans	-141.4	108.4	173.1	60.2	0	0	0	0	108.7	R191	S189-R191 PolarHBondContact O-N 3.02Å
190	D	55.3	Low	46	Very low	149 Å²	149	136.9 Å²	136.9	80%	0.797	72%	0.722	S	S	*	*			trans	-73.6	126.7	-174.4	-47.1	-58.1	0	0	0	111.1
191	R	42.5	Very low	46.3	Very low	248 Å²	248	134 Å²	134	94%	0.936	72%	0.722	S	S	*	*			trans	-165.7	167	146.5	-106.9	145.8	-151.7	-154.2	2.7	113.4	S189	S189-R191 PolarHBondContact O-N 3.02Å
192	D	54.9	Low	46.6	Very low	79 Å²	79	133.4 Å²	133.4	42%	0.422	72%	0.72	S	S	.	*			trans	-91.1	172.6	-162.6	-147.1	-15.3	0	0	0	111	A194 D198	D192-A194 PolarHBondContact O-N 2.97Å; D192-D198 HydrophobicContact CB-CB 3.71Å; D192-D198 PolarHBondContact OD2-N 3.16Å
193	C	51.1	Low	46.9	Very low	112 Å²	112	136.3 Å²	136.3	76%	0.757	73%	0.728	S	S	*	*	S	Bend	trans	-94.1	12.6	-148.8	-141.4	0	0	0	0	119.6	D198	C193-D198 VanDerWaalsContact N-CB 3.31Å; C193-D198 PolarHBondContact N-OD2 2.9Å
194	A	50.5	Low	47.3	Very low	68 Å²	68	131.9 Å²	131.9	56%	0.562	72%	0.715	S	S	*	*	S	Bend	trans	-158.1	14.9	-175.7	0	0	0	0	0	117.5	D192 D198	D192-A194 PolarHBondContact O-N 2.97Å; A194-D198 VanDerWaalsContact CA-OD1 3.27Å; A194-D198 WeakPolarHBondContact CA-OD1 3.25Å; A194-D198 HydrophobicContact CB-CB 4.32Å; A194-D198 WeakPolarHBondContact CB-OD1 3.43Å; A194-D198 PolarHBondContact N-OD1 2.83Å; A194-D198 PolarHBondContact N-OD2 3.12Å
195	E	52.7	Low	47.4	Very low	201 Å²	201	132.6 Å²	132.6	94%	0.939	72%	0.72	S	S	*	*	S	Bend	trans	77.7	51.9	-174.7	-62.8	-150.2	133.1	0	0	117.7	D198	E195-D198 VanDerWaalsContact N-CG 3.33Å; E195-D198 PolarHBondContact N-OD1 2.99Å; E195-D198 VanDerWaalsContact N-OD1 3.07Å; E195-D198 PolarHBondContact N-OD2 3.4Å
196	S	42.2	Very low	48.3	Very low	76 Å²	76	132.8 Å²	132.8	53%	0.531	71%	0.714	S	S	.	*	S	Bend	trans	-146.3	-124	164.5	56.1	0	0	0	0	111.4	D198	S196-D198 PolarHBondContact N-OD1 2.81Å; S196-D198 PolarHBondContact N-OD2 2.88Å; S196-D198 VanDerWaalsContact OG-CA 3.24Å; S196-D198 WeakPolarHBondContact OG-CA 3.03Å; S196-D198 PolarHBondContact OG-N 2.59Å; S196-D198 PolarHBondContact OG-OD1 3.33Å
197	K	54.7	Low	49.1	Very low	200 Å²	200	135.8 Å²	135.8	87%	0.87	72%	0.72	S	S	*	*	S	Bend	cis	64.5	40.7	-5.9	-47.5	171.8	-177.9	170.3	0	117
198	D	42.4	Very low	49.3	Very low	12 Å²	12	133 Å²	133	6%	0.064	70%	0.697	C	S	.	*			trans	-84.3	170.5	-153.6	-77.5	-51.4	0	0	0	117.2	D192 C193 A194 E195 S196 H200	D192-D198 HydrophobicContact CB-CB 3.71Å; D192-D198 PolarHBondContact OD2-N 3.16Å; C193-D198 VanDerWaalsContact N-CB 3.31Å; C193-D198 PolarHBondContact N-OD2 2.9Å; A194-D198 VanDerWaalsContact CA-OD1 3.27Å; A194-D198 WeakPolarHBondContact CA-OD1 3.25Å; A194-D198 HydrophobicContact CB-CB 4.32Å; A194-D198 WeakPolarHBondContact CB-OD1 3.43Å; A194-D198 PolarHBondContact N-OD1 2.83Å; A194-D198 PolarHBondContact N-OD2 3.12Å; E195-D198 VanDerWaalsContact N-CG 3.33Å; E195-D198 PolarHBondContact N-OD1 2.99Å; E195-D198 VanDerWaalsContact N-OD1 3.07Å; E195-D198 PolarHBondContact N-OD2 3.4Å; S196-D198 PolarHBondContact N-OD1 2.81Å; S196-D198 PolarHBondContact N-OD2 2.88Å; S196-D198 VanDerWaalsContact OG-CA 3.24Å; S196-D198 WeakPolarHBondContact OG-CA 3.03Å; S196-D198 PolarHBondContact OG-N 2.59Å; S196-D198 PolarHBondContact OG-OD1 3.33Å; D198-H200 VanDerWaalsContact C-N 3.29Å; D198-H200 PolarHBondContact O-N 3.04Å; D198-H200 PolarHBondContact O-ND1 2.85Å
199	S	50.3	Low	50.2	Low	69 Å²	69	128.8 Å²	128.8	48%	0.483	69%	0.691	S	S	.	*			trans	-30.4	85.3	160.8	55.9	0	0	0	0	113.3	L201	S199-L201 PolarHBondContact O-N 2.81Å
200	H	43.3	Very low	50.8	Low	167 Å²	167	130.1 Å²	130.1	77%	0.773	68%	0.683	S	S	*	*			trans	-57.6	107.3	162.7	-68.7	2.9	0	0	0	108	D198 E202	D198-H200 VanDerWaalsContact C-N 3.29Å; D198-H200 PolarHBondContact O-N 3.04Å; D198-H200 PolarHBondContact O-ND1 2.85Å; H200-E202 PolarHBondContact O-N 2.69Å
201	L	48.6	Very low	50.7	Low	162 Å²	162	132.3 Å²	132.3	85%	0.848	69%	0.685	S	S	*	*			trans	-91.4	83.5	169	-123.4	167.5	0	0	0	107.7	S199 C203	S199-L201 PolarHBondContact O-N 2.81Å; L201-C203 PolarHBondContact O-N 3.15Å; L201-C203 VanDerWaalsContact O-N 3.17Å
202	E	47.4	Very low	51.1	Low	167 Å²	167	129.2 Å²	129.2	78%	0.78	68%	0.679	S	S	*	*			trans	-54.2	116.4	175.5	-177.8	-179.8	-159.6	0	0	109.9	H200 T204	H200-E202 PolarHBondContact O-N 2.69Å; E202-T204 HydrophobicContact CG-CG2 4.31Å
203	C	45.8	Very low	51.3	Low	127 Å²	127	132.9 Å²	132.9	86%	0.858	70%	0.697	S	S	*	*			trans	-117.2	91.2	-176.7	-158.6	0	0	0	0	109.4	L201	L201-C203 PolarHBondContact O-N 3.15Å; L201-C203 VanDerWaalsContact O-N 3.17Å
204	T	54.5	Low	51.6	Low	107 Å²	107	136.4 Å²	136.4	66%	0.656	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-74.6	159.7	178.4	48.1	0	0	0	0	111.9	E202 Y206	E202-T204 HydrophobicContact CG-CG2 4.31Å; T204-Y206 PolarHBondContact O-N 3.31Å
205	S	49.3	Very low	51.5	Low	120 Å²	120	142.4 Å²	142.4	84%	0.839	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-64.5	121	-178.2	53	0	0	0	0	112.5
206	Y	60.3	Low	51.9	Low	180 Å²	180	140.2 Å²	140.2	71%	0.706	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-89.7	117.1	177.8	-173.6	-105.9	0	0	0	112.3	T204 D208	T204-Y206 PolarHBondContact O-N 3.31Å; Y206-D208 HydrophobicContact CD1-CB 4.02Å; Y206-D208 HydrophobicContact CE1-CB 3.62Å; Y206-D208 PolarHBondContact O-N 3.5Å
207	E	60.2	Low	52.3	Low	182 Å²	182	143.3 Å²	143.3	85%	0.85	72%	0.715	S	S	*	*			trans	-83.1	96.4	168.7	-67	-167.7	158.4	0	0	111.1	S209	E207-S209 PolarHBondContact O-N 2.69Å
208	D	45.3	Very low	52.4	Low	68 Å²	68	138.4 Å²	138.4	36%	0.364	71%	0.705	S	S	.	*			trans	-79.4	105	168.4	-156.4	-35.2	0	0	0	111.4	Y206 K210	Y206-D208 HydrophobicContact CD1-CB 4.02Å; Y206-D208 HydrophobicContact CE1-CB 3.62Å; Y206-D208 PolarHBondContact O-N 3.5Å; D208-K210 PolarHBondContact O-N 3.08Å; D208-K210 VanDerWaalsContact O-N 3.12Å; D208-K210 WeakPolarHBondContact OD1-CB 3.38Å; D208-K210 VanDerWaalsContact OD1-CD 3.27Å; D208-K210 WeakPolarHBondContact OD1-CD 3.47Å; D208-K210 WeakPolarHBondContact OD1-CG 3.4Å; D208-K210 PolarHBondContact OD1-N 2.76Å; D208-K210 IonicContact OD1-NZ 3.43Å; D208-K210 PolarHBondContact OD1-NZ 3.32Å; D208-K210 IonicContact OD2-NZ 3Å; D208-K210 PolarHBondContact OD2-NZ 3.14Å
209	S	59.3	Low	53.1	Low	100 Å²	100	144.5 Å²	144.5	70%	0.699	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	0	179.6	56.9	0	0	0	0	115.9	E207	E207-S209 PolarHBondContact O-N 2.69Å
210	K	56.9	Low	53.4	Low	139 Å²	139	147 Å²	147	60%	0.604	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-23.8	-166.9	-69.6	168.9	-156	128.3	0	117.5	D208 K212	D208-K210 PolarHBondContact O-N 3.08Å; D208-K210 VanDerWaalsContact O-N 3.12Å; D208-K210 WeakPolarHBondContact OD1-CB 3.38Å; D208-K210 VanDerWaalsContact OD1-CD 3.27Å; D208-K210 WeakPolarHBondContact OD1-CD 3.47Å; D208-K210 WeakPolarHBondContact OD1-CG 3.4Å; D208-K210 PolarHBondContact OD1-N 2.76Å; D208-K210 IonicContact OD1-NZ 3.43Å; D208-K210 PolarHBondContact OD1-NZ 3.32Å; D208-K210 IonicContact OD2-NZ 3Å; D208-K210 PolarHBondContact OD2-NZ 3.14Å; K210-K212 PolarHBondContact O-N 3.3Å
211	F	51.4	Low	54.4	Low	194 Å²	194	143.2 Å²	143.2	85%	0.851	76%	0.76	S	S	*	*			trans	-80.9	51.6	-175.4	-80	-77.9	0	0	0	114.4
212	K	50.8	Low	55.4	Low	184 Å²	184	141.9 Å²	141.9	80%	0.8	76%	0.759	S	S	*	*			trans	-94.9	92.5	166.5	-76.6	176.2	178.5	165.9	0	110.7	K210	K210-K212 PolarHBondContact O-N 3.3Å
213	I	59.5	Low	56.3	Low	155 Å²	155	142.4 Å²	142.4	80%	0.795	76%	0.761	S	S	*	*			trans	-123.2	100.4	161.8	-58.6	175.1	0	0	0	108.8
214	K	57.1	Low	57.3	Low	186 Å²	186	140.7 Å²	140.7	81%	0.809	76%	0.756	S	S	*	*			trans	-88.8	112.4	171.9	-69.3	-170.9	175.2	-172.3	0	109.5	L216	K214-L216 PolarHBondContact O-N 3.31Å
215	K	49.9	Very low	58	Low	194 Å²	194	140.2 Å²	140.2	84%	0.843	75%	0.753	S	S	*	*			trans	-79.5	113.9	166.8	-158.9	177.2	-174.9	-175.5	0	107.8
216	L	60.1	Low	59.1	Low	156 Å²	156	139.6 Å²	139.6	82%	0.817	75%	0.746	S	S	*	*			trans	-90	-20.4	-157.9	-95.8	153.5	0	0	0	116.1	K214	K214-L216 PolarHBondContact O-N 3.31Å
217	M	51.8	Low	59.8	Low	141 Å²	141	139.8 Å²	139.8	70%	0.695	76%	0.755	S	S	*	*			trans	-162.7	157.9	171.5	-123.7	173.3	79.2	0	0	111.5	D219	M217-D219 WeakPolarHBondContact CE-OD1 3.23Å; M217-D219 WeakPolarHBondContact CE-OD2 3.39Å
218	S	55.4	Low	60.7	Low	97 Å²	97	138.4 Å²	138.4	68%	0.678	75%	0.753	S	S	*	*			trans	-161.4	115.5	162.1	55.6	0	0	0	0	109.8
219	D	58.1	Low	61.9	Low	140 Å²	140	143.1 Å²	143.1	75%	0.749	77%	0.773	S	S	*	*			trans	-78.9	125.9	-177.4	-62.5	-60	0	0	0	112.5	M217	M217-D219 WeakPolarHBondContact CE-OD1 3.23Å; M217-D219 WeakPolarHBondContact CE-OD2 3.39Å
220	C	56.8	Low	62.5	Low	121 Å²	121	145.1 Å²	145.1	82%	0.818	78%	0.781	S	S	*	*			trans	-142	122.3	166.6	-82.6	0	0	0	0	109.1
221	G	63.8	Low	63.5	Low	88 Å²	88	145.5 Å²	145.5	91%	0.907	79%	0.79	S	S	*	*			trans	-78.2	144.1	-178.7	0	0	0	0	0	113.5
222	V	68.6	Low	64.6	Low	134 Å²	134	140.3 Å²	140.3	81%	0.812	79%	0.791	S	S	*	*			trans	-115.7	119.4	-179.5	178.7	0	0	0	0	110.2	A224	V222-A224 PolarHBondContact O-N 2.96Å
223	Q	67.3	Low	65.8	Low	177 Å²	177	137.4 Å²	137.4	83%	0.827	79%	0.793	S	S	*	*			trans	-86.2	105.3	166.2	-179.6	170.9	-29.4	0	0	109	V225	Q223-V225 PolarHBondContact O-N 3.04Å; Q223-V225 VanDerWaalsContact O-N 3.14Å
224	A	67.8	Low	66.5	Low	91 Å²	91	139.1 Å²	139.1	75%	0.752	80%	0.797	S	S	*	*			trans	-75.4	2.9	-168.3	0	0	0	0	0	116.1	V222	V222-A224 PolarHBondContact O-N 2.96Å
225	V	68.3	Low	67.5	Low	98 Å²	98	136.2 Å²	136.2	59%	0.594	80%	0.795	S	S	*	*	S	Bend	trans	-121	113.7	-176.7	-176.4	0	0	0	0	109.9	Q223	Q223-V225 PolarHBondContact O-N 3.04Å; Q223-V225 VanDerWaalsContact O-N 3.14Å
226	P	71.6	Confident	68.5	Low	107 Å²	107	134.4 Å²	134.4	70%	0.695	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.6	157.8	174.6	30.1	-34.4	0	0	0	111.7	L228	P226-L228 PolarHBondContact O-N 3.42Å
227	M	75.3	Confident	69.1	Low	184 Å²	184	138.2 Å²	138.2	91%	0.906	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.9	116.2	-175.9	-167	175	-169	0	0	111.4
228	L	78.8	Confident	70.2	Confident	153 Å²	153	138.6 Å²	138.6	80%	0.801	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.4	134.5	-178.9	-66.2	173.6	0	0	0	111.8	P226	P226-L228 PolarHBondContact O-N 3.42Å
229	Q	70.7	Confident	71.1	Confident	167 Å²	167	139.8 Å²	139.8	78%	0.78	80%	0.8	S	S	*	*			trans	-124.9	144	166.3	-69.3	-173.2	-11.8	0	0	109.2
230	T	72.8	Confident	72	Confident	141 Å²	141	138.1 Å²	138.1	87%	0.865	80%	0.797	S	S	*	*			trans	-114.3	109.3	-175.2	-49.6	0	0	0	0	110.4
231	N	77.9	Confident	72.8	Confident	147 Å²	147	141.5 Å²	141.5	79%	0.786	80%	0.798	S	S	*	*			trans	-111.1	136.7	175.4	-70.2	-18.8	0	0	0	110.5
232	G	74.8	Confident	73.5	Confident	86 Å²	86	144.5 Å²	144.5	89%	0.887	79%	0.793	S	S	*	*			trans	-89.4	141.3	170	0	0	0	0	0	111.6
233	C	75.5	Confident	73.9	Confident	123 Å²	123	144.4 Å²	144.4	83%	0.831	79%	0.793	S	S	*	*			trans	-139.8	137.7	174	-176.7	0	0	0	0	109.6
234	Q	75.1	Confident	74.6	Confident	190 Å²	190	145 Å²	145	89%	0.888	79%	0.793	S	S	*	*			trans	-135.7	112.9	174.4	-179.1	174.3	-17.1	0	0	109.5
235	T	77.3	Confident	75.2	Confident	125 Å²	125	146.2 Å²	146.2	77%	0.767	79%	0.791	S	S	*	*			trans	-78.6	124.9	-178.2	-46.9	0	0	0	0	111	R237	T235-R237 PolarHBondContact O-N 3.26Å
236	M	71.9	Confident	75.8	Confident	157 Å²	157	149.9 Å²	149.9	77%	0.773	80%	0.802	S	S	*	*			trans	-72.8	116.5	170.3	-165.2	178.6	82.3	0	0	109.5	M238	M236-M238 HydrophobicContact CE-CG 4.34Å; M236-M238 HydrophobicContact CE-SD 3.79Å; M236-M238 PolarHBondContact O-N 3.4Å
237	R	71.5	Confident	76.3	Confident	235 Å²	235	154.7 Å²	154.7	89%	0.887	81%	0.808	S	S	*	*			trans	-79	84.4	-172.8	-165.4	177.3	-170.8	175.7	3	111.9	T235	T235-R237 PolarHBondContact O-N 3.26Å
238	M	74.4	Confident	76.3	Confident	149 Å²	149	154.5 Å²	154.5	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-63.5	134.5	164.2	-64.9	-73.6	-82.7	0	0	109.5	M236	M236-M238 HydrophobicContact CE-CG 4.34Å; M236-M238 HydrophobicContact CE-SD 3.79Å; M236-M238 PolarHBondContact O-N 3.4Å
239	V	75.3	Confident	76.4	Confident	122 Å²	122	153.2 Å²	153.2	74%	0.739	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-98	116	176.2	179.6	0	0	0	0	108.3
240	P	76.3	Confident	76.9	Confident	105 Å²	105	153.4 Å²	153.4	68%	0.682	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65.5	146.4	170.6	29.3	-33.6	0	0	0	109.8
241	K	73.2	Confident	77.5	Confident	192 Å²	192	154.8 Å²	154.8	84%	0.835	80%	0.796	S	S	*	*			trans	-110	117.5	167.7	-89.9	-169.3	170.1	-171.8	0	108.5
242	D	79.9	Confident	77.8	Confident	152 Å²	152	152.5 Å²	152.5	81%	0.813	78%	0.779	S	S	*	*			trans	-71.5	133.4	171.5	-54.6	-49.6	0	0	0	109.6
243	T	76.8	Confident	78.5	Confident	131 Å²	131	151 Å²	151	80%	0.804	76%	0.755	S	S	*	*			trans	-127.3	116.8	177.3	55.4	0	0	0	0	109.3
244	F	80.8	Confident	78.9	Confident	189 Å²	189	150.2 Å²	150.2	83%	0.829	75%	0.746	S	S	*	*			trans	-103.6	154.4	175.9	53.2	-91.5	0	0	0	110.8
245	T	82.4	Confident	79.3	Confident	118 Å²	118	149 Å²	149	72%	0.724	74%	0.738	S	S	*	*			trans	-127.5	124.4	175.3	53	0	0	0	0	109.6
246	Q	79.3	Confident	79.7	Confident	175 Å²	175	145.8 Å²	145.8	82%	0.818	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-100.9	146	170.6	-173.3	170	-4	0	0	109.1
247	Y	82.7	Confident	80.3	Confident	208 Å²	208	143.2 Å²	143.2	82%	0.816	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-103.9	134.7	174.6	-64.1	-78.5	0	0	0	109.9
248	E	74.6	Confident	81	Confident	180 Å²	180	137 Å²	137	84%	0.841	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-101.4	150.3	169.8	-65.6	-178.6	153.5	0	0	110.2	R250	E248-R250 PolarHBondContact O-N 3.06Å
249	P	80.6	Confident	81.6	Confident	126 Å²	126	136.2 Å²	136.2	82%	0.818	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-59.5	133.2	173.2	-22.7	34	0	0	0	111.5	E251	P249-E251 PolarHBondContact O-N 2.84Å; P249-E251 VanDerWaalsContact O-N 3.1Å
250	R	82.6	Confident	82.1	Confident	170 Å²	170	133.4 Å²	133.4	64%	0.642	66%	0.656	S	S	*	*			trans	-68.3	111	176.5	-178.5	-176	174.3	-150.4	-11.7	110.4	E248 E256	E248-R250 PolarHBondContact O-N 3.06Å; R250-E256 IonicContact CZ-OE1 2.62Å; R250-E256 IonicContact NH1-OE1 2.86Å; R250-E256 IonicContact NH2-OE1 3.66Å; R250-E256 PolarHBondContact NH2-OE1 3.24Å; R250-E256 IonicContact NH2-OE2 2.74Å; R250-E256 PolarHBondContact NH2-OE2 2.94Å
251	E	84	Confident	82.4	Confident	170 Å²	170	133.7 Å²	133.7	79%	0.794	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-68.5	131.9	166	-62.3	-155.4	150.9	0	0	111.7	P249	P249-E251 PolarHBondContact O-N 2.84Å; P249-E251 VanDerWaalsContact O-N 3.1Å
252	F	84.8	Confident	83	Confident	100 Å²	100	130.7 Å²	130.7	44%	0.439	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-78.2	136.2	169.6	-67.6	-78	0	0	0	111.1	E256 K257 I260	F252-E256 HydrophobicContact CB-CB 4.34Å; F252-E256 HydrophobicContact CD1-CB 4.29Å; F252-K257 HydrophobicContact CB-CD 4.45Å; F252-K257 HydrophobicContact CB-CG 3.91Å; F252-K257 WeakPolarHBondContact O-CE 3.36Å; F252-K257 PolarHBondContact O-NZ 2.88Å; F252-I260 HydrophobicContact CD1-CD1 4.39Å; F252-I260 HydrophobicContact CE1-CD1 4.44Å
253	S	89	Confident	83.4	Confident	55 Å²	55	128 Å²	128	39%	0.385	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-63.9	157.8	172.7	67.1	0	0	0	0	111.5	K255 E256 K257	S253-K255 PolarHBondContact O-N 3.49Å; S253-E256 WeakPolarHBondContact CB-OE2 3.22Å; S253-E256 PolarHBondContact N-OE2 3.11Å; S253-E256 PolarHBondContact O-N 3.45Å; S253-E256 VanDerWaalsContact O-N 3.13Å; S253-E256 VanDerWaalsContact OG-CG 3.3Å; S253-E256 WeakPolarHBondContact OG-CG 3.48Å; S253-E256 PolarHBondContact OG-N 2.91Å; S253-E256 PolarHBondContact OG-OE2 2.74Å; S253-K257 WeakPolarHBondContact O-CG 3.49Å; S253-K257 PolarHBondContact O-N 3.33Å
254	T	83.9	Confident	84	Confident	106 Å²	106	127.2 Å²	127.2	65%	0.65	61%	0.608	S	S	*	*	H	α-helix	trans	-56.1	-37.6	177.7	48.9	0	0	0	0	112.5	K257 E258	T254-K257 PolarHBondContact O-N 2.97Å; T254-E258 WeakPolarHBondContact O-CB 3.29Å; T254-E258 PolarHBondContact O-N 3.43Å
255	K	85.1	Confident	84.3	Confident	163 Å²	163	124.1 Å²	124.1	71%	0.709	60%	0.6	S	S	*	*	H	α-helix	trans	-66.2	-40.2	177	-64.1	-179.6	-180	178	0	112.8	S253 E258 M259	S253-K255 PolarHBondContact O-N 3.49Å; K255-E258 PolarHBondContact O-N 3.38Å; K255-M259 PolarHBondContact O-N 2.86Å
256	E	84.1	Confident	84.5	Confident	58 Å²	58	121.3 Å²	121.3	27%	0.271	58%	0.581	S	S	.	*	H	α-helix	trans	-68.3	-44.2	175.7	-71.2	166.4	119.6	0	0	111.1	R250 F252 S253 E258 M259 I260	R250-E256 IonicContact CZ-OE1 2.62Å; R250-E256 IonicContact NH1-OE1 2.86Å; R250-E256 IonicContact NH2-OE1 3.66Å; R250-E256 PolarHBondContact NH2-OE1 3.24Å; R250-E256 IonicContact NH2-OE2 2.74Å; R250-E256 PolarHBondContact NH2-OE2 2.94Å; F252-E256 HydrophobicContact CB-CB 4.34Å; F252-E256 HydrophobicContact CD1-CB 4.29Å; S253-E256 WeakPolarHBondContact CB-OE2 3.22Å; S253-E256 PolarHBondContact N-OE2 3.11Å; S253-E256 PolarHBondContact O-N 3.45Å; S253-E256 VanDerWaalsContact O-N 3.13Å; S253-E256 VanDerWaalsContact OG-CG 3.3Å; S253-E256 WeakPolarHBondContact OG-CG 3.48Å; S253-E256 PolarHBondContact OG-N 2.91Å; S253-E256 PolarHBondContact OG-OE2 2.74Å; E256-E258 VanDerWaalsContact C-N 3.29Å; E256-E258 PolarHBondContact O-N 2.98Å; E256-M259 PolarHBondContact O-N 3.13Å; E256-M259 VanDerWaalsContact O-N 3.09Å; E256-I260 VanDerWaalsContact O-CG1 3.32Å; E256-I260 WeakPolarHBondContact O-CG1 3.22Å; E256-I260 PolarHBondContact O-N 3.45Å
257	K	85.9	Confident	84.8	Confident	103 Å²	103	120 Å²	120	45%	0.448	57%	0.568	S	S	.	*	H	α-helix	trans	-55.5	-44.7	173.2	-71.4	166.4	171.9	155.4	0	111.1	F252 S253 T254 M259 I260 L261	F252-K257 HydrophobicContact CB-CD 4.45Å; F252-K257 HydrophobicContact CB-CG 3.91Å; F252-K257 WeakPolarHBondContact O-CE 3.36Å; F252-K257 PolarHBondContact O-NZ 2.88Å; S253-K257 WeakPolarHBondContact O-CG 3.49Å; S253-K257 PolarHBondContact O-N 3.33Å; T254-K257 PolarHBondContact O-N 2.97Å; K257-M259 PolarHBondContact O-N 2.97Å; K257-I260 PolarHBondContact O-N 3.03Å; K257-L261 WeakPolarHBondContact O-CB 3.13Å; K257-L261 VanDerWaalsContact O-CG 3.26Å; K257-L261 WeakPolarHBondContact O-CG 3.37Å; K257-L261 PolarHBondContact O-N 2.84Å
258	E	86.3	Confident	85.1	Confident	105 Å²	105	113.5 Å²	113.5	49%	0.491	55%	0.547	S	S	.	.	H	α-helix	trans	-64	-34.7	174.8	-90.9	-164.4	-121.7	0	0	114.7	T254 K255 E256 K262	T254-E258 WeakPolarHBondContact O-CB 3.29Å; T254-E258 PolarHBondContact O-N 3.43Å; K255-E258 PolarHBondContact O-N 3.38Å; E256-E258 VanDerWaalsContact C-N 3.29Å; E256-E258 PolarHBondContact O-N 2.98Å; E258-K262 WeakPolarHBondContact O-CD 3.46Å; E258-K262 WeakPolarHBondContact O-CE 3.47Å; E258-K262 WeakPolarHBondContact O-CG 3.26Å; E258-K262 IonicContact OE2-NZ 2.69Å; E258-K262 PolarHBondContact OE2-NZ 3.16Å
259	M	86.8	Confident	85.9	Confident	133 Å²	133	110.4 Å²	110.4	66%	0.655	53%	0.531	S	S	*	.	H	α-helix	trans	-69.5	-46.8	174.7	-77.1	-179.7	59.9	0	0	111	K255 E256 K257 L261 K262 E263	K255-M259 PolarHBondContact O-N 2.86Å; E256-M259 PolarHBondContact O-N 3.13Å; E256-M259 VanDerWaalsContact O-N 3.09Å; K257-M259 PolarHBondContact O-N 2.97Å; M259-L261 VanDerWaalsContact C-N 3.32Å; M259-L261 PolarHBondContact O-N 3.17Å; M259-K262 CarbonylContact O-C 3.52Å; M259-K262 WeakPolarHBondContact O-CA 3.22Å; M259-K262 WeakPolarHBondContact O-CB 3.14Å; M259-K262 PolarHBondContact O-N 2.91Å; M259-E263 PolarHBondContact O-N 2.7Å
260	I	84.9	Confident	86.3	Confident	63 Å²	63	106.8 Å²	106.8	32%	0.323	51%	0.509	S	S	.	.	H	α-helix	trans	-60.7	-40.5	-179.9	-67.6	163.3	0	0	0	111	F252 E256 K257 K262 E263 L266	F252-I260 HydrophobicContact CD1-CD1 4.39Å; F252-I260 HydrophobicContact CE1-CD1 4.44Å; E256-I260 VanDerWaalsContact O-CG1 3.32Å; E256-I260 WeakPolarHBondContact O-CG1 3.22Å; E256-I260 PolarHBondContact O-N 3.45Å; K257-I260 PolarHBondContact O-N 3.03Å; I260-K262 PolarHBondContact O-N 2.56Å; I260-E263 WeakPolarHBondContact O-CB 3.32Å; I260-E263 PolarHBondContact O-N 2.68Å; I260-E263 VanDerWaalsContact O-N 3.11Å; I260-L266 HydrophobicContact CG2-CD2 3.85Å
261	L	82.1	Confident	86.6	Confident	110 Å²	110	101 Å²	101	58%	0.576	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.2	174.4	-70.1	168.7	0	0	0	114.7	K257 M259 L266 R267	K257-L261 WeakPolarHBondContact O-CB 3.13Å; K257-L261 VanDerWaalsContact O-CG 3.26Å; K257-L261 WeakPolarHBondContact O-CG 3.37Å; K257-L261 PolarHBondContact O-N 2.84Å; M259-L261 VanDerWaalsContact C-N 3.32Å; M259-L261 PolarHBondContact O-N 3.17Å; L261-L266 HydrophobicContact CD2-CD2 4.38Å; L261-R267 PolarHBondContact O-NE 3.2Å; L261-R267 PolarHBondContact O-NH2 3.25Å; L261-R267 VanDerWaalsContact O-NH2 3.11Å
262	K	85.8	Confident	87	Confident	129 Å²	129	101.6 Å²	101.6	56%	0.561	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.1	174.2	-66.6	163.1	-162	162.3	0	112.1	E258 M259 I260	E258-K262 WeakPolarHBondContact O-CD 3.46Å; E258-K262 WeakPolarHBondContact O-CE 3.47Å; E258-K262 WeakPolarHBondContact O-CG 3.26Å; E258-K262 IonicContact OE2-NZ 2.69Å; E258-K262 PolarHBondContact OE2-NZ 3.16Å; M259-K262 CarbonylContact O-C 3.52Å; M259-K262 WeakPolarHBondContact O-CA 3.22Å; M259-K262 WeakPolarHBondContact O-CB 3.14Å; M259-K262 PolarHBondContact O-N 2.91Å; I260-K262 PolarHBondContact O-N 2.56Å
263	E	89.7	Confident	87.4	Confident	95 Å²	95	100 Å²	100	44%	0.444	49%	0.491	S	S	.	.			trans	-70.3	132.7	175.4	-69.6	-166	-176.1	0	0	112.4	M259 I260 N265 L266 R267	M259-E263 PolarHBondContact O-N 2.7Å; I260-E263 WeakPolarHBondContact O-CB 3.32Å; I260-E263 PolarHBondContact O-N 2.68Å; I260-E263 VanDerWaalsContact O-N 3.11Å; E263-N265 VanDerWaalsContact C-N 3.3Å; E263-N265 PolarHBondContact O-N 3.23Å; E263-L266 PolarHBondContact O-N 3.06Å; E263-R267 PolarHBondContact O-N 2.91Å
264	Q	88.1	Confident	87.5	Confident	116 Å²	116	101.9 Å²	101.9	54%	0.542	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-35.3	177.9	-167.5	61.7	35.6	0	0	111.9	L266 R267 D268	Q264-L266 VanDerWaalsContact C-N 3.3Å; Q264-L266 PolarHBondContact O-N 2.96Å; Q264-R267 WeakPolarHBondContact O-CB 3.3Å; Q264-R267 PolarHBondContact O-N 3.07Å; Q264-R267 VanDerWaalsContact O-N 3.09Å; Q264-D268 PolarHBondContact NE2-OD1 2.88Å; Q264-D268 WeakPolarHBondContact O-CB 3.41Å; Q264-D268 PolarHBondContact O-N 3.13Å
265	N	88.1	Confident	88	Confident	123 Å²	123	100.7 Å²	100.7	66%	0.658	49%	0.489	S	S	*	.	H	α-helix	trans	-55.7	-43.2	178.4	-63.9	-27.8	0	0	0	112.5	E263 F269	E263-N265 VanDerWaalsContact C-N 3.3Å; E263-N265 PolarHBondContact O-N 3.23Å; N265-F269 WeakPolarHBondContact O-CB 3.18Å; N265-F269 PolarHBondContact O-N 3.28Å
266	L	87	Confident	88.3	Confident	60 Å²	60	101.5 Å²	101.5	31%	0.314	49%	0.488	S	S	.	.	H	α-helix	trans	-70.5	-38.4	178	-177.1	61.8	0	0	0	111.3	I260 L261 E263 Q264 F269 C270	I260-L266 HydrophobicContact CG2-CD2 3.85Å; L261-L266 HydrophobicContact CD2-CD2 4.38Å; E263-L266 PolarHBondContact O-N 3.06Å; Q264-L266 VanDerWaalsContact C-N 3.3Å; Q264-L266 PolarHBondContact O-N 2.96Å; L266-F269 PolarHBondContact O-N 3.05Å; L266-C270 WeakPolarHBondContact O-CB 3.25Å; L266-C270 PolarHBondContact O-N 3.48Å; L266-C270 PolarHBondContact O-SG 3.45Å
267	R	84.9	Confident	88.6	Confident	147 Å²	147	104.7 Å²	104.7	56%	0.555	50%	0.504	S	S	*	.	H	α-helix	trans	-64.3	-43.3	176.3	-67.7	178.1	175.5	-121.4	-9.8	111.9	L261 E263 Q264 C270 G271	L261-R267 PolarHBondContact O-NE 3.2Å; L261-R267 PolarHBondContact O-NH2 3.25Å; L261-R267 VanDerWaalsContact O-NH2 3.11Å; E263-R267 PolarHBondContact O-N 2.91Å; Q264-R267 WeakPolarHBondContact O-CB 3.3Å; Q264-R267 PolarHBondContact O-N 3.07Å; Q264-R267 VanDerWaalsContact O-N 3.09Å; R267-C270 PolarHBondContact O-N 3.17Å; R267-G271 PolarHBondContact O-N 3.16Å
268	D	89.4	Confident	88.8	Confident	71 Å²	71	104.6 Å²	104.6	38%	0.38	51%	0.508	S	S	.	.	H	α-helix	trans	-68.8	-35.1	177.4	-68.8	-2	0	0	0	111.7	Q264 R272	Q264-D268 PolarHBondContact NE2-OD1 2.88Å; Q264-D268 WeakPolarHBondContact O-CB 3.41Å; Q264-D268 PolarHBondContact O-N 3.13Å; D268-R272 WeakPolarHBondContact O-CD 3.5Å; D268-R272 VanDerWaalsContact O-CG 3.25Å; D268-R272 WeakPolarHBondContact O-CG 3.47Å; D268-R272 PolarHBondContact O-N 3.33Å
269	F	91.3	Very high	89	Confident	115 Å²	115	106 Å²	106	50%	0.504	51%	0.513	S	S	.	.	H	α-helix	trans	-64.5	-52	171.1	175.7	-95.3	0	0	0	111.4	N265 L266 G271 R272 Q273	N265-F269 WeakPolarHBondContact O-CB 3.18Å; N265-F269 PolarHBondContact O-N 3.28Å; L266-F269 PolarHBondContact O-N 3.05Å; F269-G271 VanDerWaalsContact C-N 3.31Å; F269-G271 PolarHBondContact O-N 2.95Å; F269-R272 WeakPolarHBondContact O-CB 3.5Å; F269-R272 PolarHBondContact O-N 3.22Å; F269-Q273 HydrophobicContact CD1-CG 4.26Å; F269-Q273 HydrophobicContact CD2-CG 4.34Å; F269-Q273 HydrophobicContact CE1-CG 3.8Å; F269-Q273 HydrophobicContact CE2-CG 3.9Å; F269-Q273 HydrophobicContact CZ-CG 3.6Å; F269-Q273 PolarHBondContact O-N 3.14Å
270	C	88.4	Confident	89	Confident	51 Å²	51	102 Å²	102	35%	0.345	50%	0.501	S	S	.	.	H	α-helix	trans	-58	-43.9	177	-70.7	0	0	0	0	111.2	L266 R267 R272 Q273 I274	L266-C270 WeakPolarHBondContact O-CB 3.25Å; L266-C270 PolarHBondContact O-N 3.48Å; L266-C270 PolarHBondContact O-SG 3.45Å; R267-C270 PolarHBondContact O-N 3.17Å; C270-R272 PolarHBondContact O-N 2.99Å; C270-Q273 PolarHBondContact O-N 3.04Å; C270-Q273 VanDerWaalsContact O-N 3.14Å; C270-I274 HydrophobicContact CB-CD1 4.19Å; C270-I274 VanDerWaalsContact O-CB 3.32Å; C270-I274 WeakPolarHBondContact O-CB 3.45Å; C270-I274 WeakPolarHBondContact O-CD1 3.45Å; C270-I274 WeakPolarHBondContact O-CG1 3.41Å; C270-I274 PolarHBondContact O-N 3.01Å
271	G	89.7	Confident	89.1	Confident	47 Å²	47	103.3 Å²	103.3	49%	0.485	51%	0.508	S	S	.	.	H	α-helix	trans	-59.4	-25.7	175.4	0	0	0	0	0	114.5	R267 F269 P275	R267-G271 PolarHBondContact O-N 3.16Å; F269-G271 VanDerWaalsContact C-N 3.31Å; F269-G271 PolarHBondContact O-N 2.95Å; G271-P275 VanDerWaalsContact O-CD 3.26Å; G271-P275 WeakPolarHBondContact O-CD 3.48Å
272	R	91.2	Very high	89.4	Confident	183 Å²	183	102.7 Å²	102.7	69%	0.691	50%	0.502	S	S	*	.	H	α-helix	trans	-85.5	-32.9	174.3	-67.7	168.4	-165	-168.2	6.3	113.5	D268 F269 C270	D268-R272 WeakPolarHBondContact O-CD 3.5Å; D268-R272 VanDerWaalsContact O-CG 3.25Å; D268-R272 WeakPolarHBondContact O-CG 3.47Å; D268-R272 PolarHBondContact O-N 3.33Å; F269-R272 WeakPolarHBondContact O-CB 3.5Å; F269-R272 PolarHBondContact O-N 3.22Å; C270-R272 PolarHBondContact O-N 2.99Å
273	Q	93.4	Very high	89.2	Confident	68 Å²	68	101.9 Å²	101.9	32%	0.318	50%	0.5	S	S	.	.	H	α-helix	trans	-89.1	-28.9	-179.5	-53.4	-50.6	-21.4	0	0	113.6	F269 C270 R276 M277	F269-Q273 HydrophobicContact CD1-CG 4.26Å; F269-Q273 HydrophobicContact CD2-CG 4.34Å; F269-Q273 HydrophobicContact CE1-CG 3.8Å; F269-Q273 HydrophobicContact CE2-CG 3.9Å; F269-Q273 HydrophobicContact CZ-CG 3.6Å; F269-Q273 PolarHBondContact O-N 3.14Å; C270-Q273 PolarHBondContact O-N 3.04Å; C270-Q273 VanDerWaalsContact O-N 3.14Å; Q273-R276 WeakPolarHBondContact O-CA 3.15Å; Q273-R276 WeakPolarHBondContact O-CB 3.48Å; Q273-R276 PolarHBondContact O-N 2.93Å; Q273-M277 PolarHBondContact O-N 2.98Å
274	I	92.3	Very high	88.8	Confident	94 Å²	94	103.5 Å²	103.5	48%	0.482	51%	0.508	S	S	.	.	H	α-helix	trans	-52.3	-48.1	178.5	-77.4	164.1	0	0	0	111.7	C270 R276 M277 L278	C270-I274 HydrophobicContact CB-CD1 4.19Å; C270-I274 VanDerWaalsContact O-CB 3.32Å; C270-I274 WeakPolarHBondContact O-CB 3.45Å; C270-I274 WeakPolarHBondContact O-CD1 3.45Å; C270-I274 WeakPolarHBondContact O-CG1 3.41Å; C270-I274 PolarHBondContact O-N 3.01Å; I274-R276 VanDerWaalsContact C-N 3.26Å; I274-R276 PolarHBondContact O-N 2.99Å; I274-M277 PolarHBondContact O-N 3.06Å; I274-L278 WeakPolarHBondContact O-CB 3.38Å; I274-L278 PolarHBondContact O-N 3.21Å
275	P	93.3	Very high	88.4	Confident	81 Å²	81	106.2 Å²	106.2	53%	0.526	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-31.2	176.6	-25.7	35.8	0	0	0	114.4	G271 F279	G271-P275 VanDerWaalsContact O-CD 3.26Å; G271-P275 WeakPolarHBondContact O-CD 3.48Å; P275-F279 WeakPolarHBondContact O-CB 3.45Å; P275-F279 PolarHBondContact O-N 2.92Å
276	R	91.2	Very high	88.2	Confident	180 Å²	180	106.3 Å²	106.3	68%	0.679	52%	0.52	S	S	*	.	H	α-helix	trans	-74.6	-43.3	176.7	-71.1	173.1	154.2	-160.9	-9.3	111.9	Q273 I274 L278 F279 A280	Q273-R276 WeakPolarHBondContact O-CA 3.15Å; Q273-R276 WeakPolarHBondContact O-CB 3.48Å; Q273-R276 PolarHBondContact O-N 2.93Å; I274-R276 VanDerWaalsContact C-N 3.26Å; I274-R276 PolarHBondContact O-N 2.99Å; R276-L278 VanDerWaalsContact C-N 3.34Å; R276-F279 PolarHBondContact O-N 3.31Å; R276-A280 PolarHBondContact O-N 3.44Å
277	M	91.9	Very high	87.6	Confident	125 Å²	125	108.7 Å²	108.7	62%	0.616	53%	0.532	S	S	*	.	H	α-helix	trans	-67.4	-37.9	177	-161.7	174.7	89.2	0	0	111.3	Q273 I274 A280 L281	Q273-M277 PolarHBondContact O-N 2.98Å; I274-M277 PolarHBondContact O-N 3.06Å; M277-A280 PolarHBondContact O-N 2.9Å; M277-L281 HydrophobicContact CE-CD1 4.39Å; M277-L281 HydrophobicContact CG-CD1 4.37Å; M277-L281 WeakPolarHBondContact O-CB 3.28Å; M277-L281 VanDerWaalsContact O-CG 3.29Å; M277-L281 WeakPolarHBondContact O-CG 3.41Å; M277-L281 PolarHBondContact O-N 2.96Å
278	L	89.9	Confident	87.2	Confident	101 Å²	101	105.6 Å²	105.6	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-69	-36.5	176.6	-154.7	157.3	0	0	0	111.2	I274 R276 Q282	I274-L278 WeakPolarHBondContact O-CB 3.38Å; I274-L278 PolarHBondContact O-N 3.21Å; R276-L278 VanDerWaalsContact C-N 3.34Å; L278-Q282 WeakPolarHBondContact O-CB 3.46Å; L278-Q282 PolarHBondContact O-N 2.85Å
279	F	89.1	Confident	86.5	Confident	133 Å²	133	107.5 Å²	107.5	58%	0.583	54%	0.54	S	S	*	.	H	α-helix	trans	-62.6	-43	169.8	-179.2	-91.2	0	0	0	112.5	P275 R276 Q282 Q283	P275-F279 WeakPolarHBondContact O-CB 3.45Å; P275-F279 PolarHBondContact O-N 2.92Å; R276-F279 PolarHBondContact O-N 3.31Å; F279-Q282 PolarHBondContact O-N 3.07Å; F279-Q283 PolarHBondContact O-N 3.42Å
280	A	86.8	Confident	85.8	Confident	49 Å²	49	110.8 Å²	110.8	41%	0.405	55%	0.554	S	S	.	*	H	α-helix	trans	-64.3	-47.5	176.9	0	0	0	0	0	112.2	R276 M277 Q282 Q283 E284	R276-A280 PolarHBondContact O-N 3.44Å; M277-A280 PolarHBondContact O-N 2.9Å; A280-Q282 VanDerWaalsContact C-N 3.32Å; A280-Q282 PolarHBondContact O-N 2.94Å; A280-Q283 WeakPolarHBondContact O-CB 3.36Å; A280-Q283 PolarHBondContact O-N 3.28Å; A280-E284 PolarHBondContact O-N 2.75Å
281	L	87.8	Confident	84.8	Confident	91 Å²	91	112.9 Å²	112.9	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-60.7	-40.3	175.2	-70.7	166.6	0	0	0	112	M277 Q283 E284 E285	M277-L281 HydrophobicContact CE-CD1 4.39Å; M277-L281 HydrophobicContact CG-CD1 4.37Å; M277-L281 WeakPolarHBondContact O-CB 3.28Å; M277-L281 VanDerWaalsContact O-CG 3.29Å; M277-L281 WeakPolarHBondContact O-CG 3.41Å; M277-L281 PolarHBondContact O-N 2.96Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 2.89Å; L281-E284 PolarHBondContact O-N 2.92Å; L281-E285 WeakPolarHBondContact O-CB 3.21Å; L281-E285 PolarHBondContact O-N 3.25Å
282	Q	87.6	Confident	84	Confident	98 Å²	98	113.8 Å²	113.8	46%	0.458	56%	0.555	S	S	.	*	H	α-helix	trans	-65.9	-32	175.1	-170.7	179.4	6.2	0	0	111.8	L278 F279 A280 I286	L278-Q282 WeakPolarHBondContact O-CB 3.46Å; L278-Q282 PolarHBondContact O-N 2.85Å; F279-Q282 PolarHBondContact O-N 3.07Å; A280-Q282 VanDerWaalsContact C-N 3.32Å; A280-Q282 PolarHBondContact O-N 2.94Å; Q282-I286 HydrophobicContact CG-CD1 3.85Å; Q282-I286 HydrophobicContact CG-CG1 4.34Å; Q282-I286 VanDerWaalsContact O-CB 3.32Å; Q282-I286 WeakPolarHBondContact O-CB 2.94Å; Q282-I286 WeakPolarHBondContact O-CD1 3.16Å; Q282-I286 WeakPolarHBondContact O-CG1 3.41Å; Q282-I286 PolarHBondContact O-N 3.22Å
283	Q	82.6	Confident	83	Confident	111 Å²	111	110.3 Å²	110.3	52%	0.519	55%	0.551	S	S	.	*	H	α-helix	trans	-68.3	-41.1	174.5	-173.6	175.2	-26.2	0	0	111.6	F279 A280 L281 I287	F279-Q283 PolarHBondContact O-N 3.42Å; A280-Q283 WeakPolarHBondContact O-CB 3.36Å; A280-Q283 PolarHBondContact O-N 3.28Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 2.89Å; Q283-I287 PolarHBondContact O-N 2.68Å
284	E	80.4	Confident	81.5	Confident	130 Å²	130	116.9 Å²	116.9	61%	0.607	57%	0.573	S	S	*	*	H	α-helix	trans	-65.2	-39.6	173.4	-67.2	178.9	159	0	0	112.6	A280 L281 I287	A280-E284 PolarHBondContact O-N 2.75Å; L281-E284 PolarHBondContact O-N 2.92Å; E284-I287 CarbonylContact O-C 3.55Å
285	E	79.8	Confident	80	Confident	173 Å²	173	121.9 Å²	121.9	81%	0.808	59%	0.585	S	S	*	*	H	α-helix	trans	-71.7	-33.9	178.1	-172.3	176.6	-156.3	0	0	112.8	L281	L281-E285 WeakPolarHBondContact O-CB 3.21Å; L281-E285 PolarHBondContact O-N 3.25Å
286	I	84.7	Confident	78.4	Confident	124 Å²	124	120.3 Å²	120.3	64%	0.636	58%	0.576	S	S	*	*	H	α-helix	trans	-69.4	-43.2	176.6	-76.2	169.1	0	0	0	111.5	Q282	Q282-I286 HydrophobicContact CG-CD1 3.85Å; Q282-I286 HydrophobicContact CG-CG1 4.34Å; Q282-I286 VanDerWaalsContact O-CB 3.32Å; Q282-I286 WeakPolarHBondContact O-CB 2.94Å; Q282-I286 WeakPolarHBondContact O-CD1 3.16Å; Q282-I286 WeakPolarHBondContact O-CG1 3.41Å; Q282-I286 PolarHBondContact O-N 3.22Å
287	I	74.4	Confident	76.9	Confident	111 Å²	111	117.8 Å²	117.8	57%	0.569	58%	0.576	S	S	*	*			trans	-155.9	119.4	177.6	-170.6	167.5	0	0	0	111.6	Q283 E284 V289	Q283-I287 PolarHBondContact O-N 2.68Å; E284-I287 CarbonylContact O-C 3.55Å; I287-V289 HydrophobicContact CG2-CG2 4.19Å; I287-V289 PolarHBondContact O-N 3.12Å; I287-V289 VanDerWaalsContact O-N 3.09Å
288	N	76	Confident	75	Confident	82 Å²	82	113.4 Å²	113.4	44%	0.439	56%	0.56	S	S	.	*			trans	-78.5	94.6	171.9	-178.8	0.5	0	0	0	109.8	F290 L291	N288-F290 PolarHBondContact O-N 3.28Å; N288-F290 VanDerWaalsContact O-N 3.16Å; N288-F290 PolarHBondContact OD1-N 3.07Å; N288-L291 HydrophobicContact CB-CB 4.06Å; N288-L291 HydrophobicContact CB-CD1 4.24Å; N288-L291 WeakPolarHBondContact O-CB 3.32Å; N288-L291 PolarHBondContact O-N 3.04Å; N288-L291 VanDerWaalsContact O-N 3.07Å; N288-L291 PolarHBondContact OD1-N 3.16Å
289	V	75.2	Confident	73.2	Confident	110 Å²	110	114.4 Å²	114.4	67%	0.667	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-15.7	179.5	-173.7	0	0	0	0	112.8	I287	I287-V289 HydrophobicContact CG2-CG2 4.19Å; I287-V289 PolarHBondContact O-N 3.12Å; I287-V289 VanDerWaalsContact O-N 3.09Å
290	F	75.5	Confident	71.2	Confident	184 Å²	184	110 Å²	110	81%	0.807	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	2	177.2	-51.3	-71.8	0	0	0	113.3	N288 D292	N288-F290 PolarHBondContact O-N 3.28Å; N288-F290 VanDerWaalsContact O-N 3.16Å; N288-F290 PolarHBondContact OD1-N 3.07Å; F290-D292 PolarHBondContact O-N 2.95Å
291	L	68.2	Low	69.6	Low	95 Å²	95	114.7 Å²	114.7	50%	0.497	58%	0.578	S	S	.	*			trans	-78.2	101.6	170.3	-124.7	171.8	0	0	0	108.6	N288 D293	N288-L291 HydrophobicContact CB-CB 4.06Å; N288-L291 HydrophobicContact CB-CD1 4.24Å; N288-L291 WeakPolarHBondContact O-CB 3.32Å; N288-L291 PolarHBondContact O-N 3.04Å; N288-L291 VanDerWaalsContact O-N 3.07Å; N288-L291 PolarHBondContact OD1-N 3.16Å; L291-D293 PolarHBondContact O-N 3.09Å; L291-D293 VanDerWaalsContact O-N 3.12Å
292	D	72.1	Confident	67.8	Low	66 Å²	66	119 Å²	119	35%	0.353	60%	0.596	S	S	.	*			trans	-70.4	103	170.3	174.4	4.6	0	0	0	109.1	F290 W294 R295 S296	F290-D292 PolarHBondContact O-N 2.95Å; D292-W294 PolarHBondContact O-N 2.95Å; D292-W294 WeakPolarHBondContact OD1-CA 3.31Å; D292-W294 VanDerWaalsContact OD1-CB 3.31Å; D292-W294 WeakPolarHBondContact OD1-CB 3.47Å; D292-W294 PolarHBondContact OD1-N 3.05Å; D292-R295 HydrophobicContact CB-CB 4Å; D292-R295 HydrophobicContact CB-CG 4.29Å; D292-R295 WeakPolarHBondContact O-CB 3.45Å; D292-R295 PolarHBondContact O-N 3.33Å; D292-R295 PolarHBondContact OD1-N 3Å; D292-R295 WeakPolarHBondContact OD2-CD 3.2Å; D292-R295 WeakPolarHBondContact OD2-CG 3.16Å; D292-R295 IonicContact OD2-NE 3.78Å; D292-S296 PolarHBondContact O-N 3.31Å
293	D	70.5	Confident	65.6	Low	110 Å²	110	119.7 Å²	119.7	59%	0.588	60%	0.602	S	S	*	*	H	α-helix	trans	-59.5	-24.9	178.6	-78.8	-33	0	0	0	113	L291 S296 L297	L291-D293 PolarHBondContact O-N 3.09Å; L291-D293 VanDerWaalsContact O-N 3.12Å; D293-S296 WeakPolarHBondContact CA-OG 3.49Å; D293-S296 PolarHBondContact O-N 2.93Å; D293-S296 PolarHBondContact O-OG 3.21Å; D293-S296 VanDerWaalsContact O-OG 3.13Å; D293-L297 WeakPolarHBondContact O-CB 3.01Å; D293-L297 WeakPolarHBondContact O-CD1 3.25Å; D293-L297 VanDerWaalsContact O-CG 3.25Å; D293-L297 WeakPolarHBondContact O-CG 3.49Å; D293-L297 PolarHBondContact O-N 2.94Å
294	W	61.7	Low	63.7	Low	207 Å²	207	118.5 Å²	118.5	78%	0.784	61%	0.605	S	S	*	*	H	α-helix	trans	-72.4	-44.7	173.2	-59.6	93.6	0	0	0	110.4	D292 S296 L297 A298	D292-W294 PolarHBondContact O-N 2.95Å; D292-W294 WeakPolarHBondContact OD1-CA 3.31Å; D292-W294 VanDerWaalsContact OD1-CB 3.31Å; D292-W294 WeakPolarHBondContact OD1-CB 3.47Å; D292-W294 PolarHBondContact OD1-N 3.05Å; W294-S296 VanDerWaalsContact C-N 3.27Å; W294-S296 PolarHBondContact O-N 3.13Å; W294-L297 PolarHBondContact O-N 3.49Å; W294-A298 WeakPolarHBondContact O-CB 3.35Å; W294-A298 PolarHBondContact O-N 3.38Å
295	R	61.3	Low	62	Low	198 Å²	198	115.9 Å²	115.9	75%	0.747	60%	0.595	S	S	*	*	H	α-helix	trans	-61.6	-32.2	171.6	-82.9	172.5	179.1	-173.5	-0.4	113.1	D292 T299	D292-R295 HydrophobicContact CB-CB 4Å; D292-R295 HydrophobicContact CB-CG 4.29Å; D292-R295 WeakPolarHBondContact O-CB 3.45Å; D292-R295 PolarHBondContact O-N 3.33Å; D292-R295 PolarHBondContact OD1-N 3Å; D292-R295 WeakPolarHBondContact OD2-CD 3.2Å; D292-R295 WeakPolarHBondContact OD2-CG 3.16Å; D292-R295 IonicContact OD2-NE 3.78Å; R295-T299 PolarHBondContact O-N 3.08Å
296	S	60.5	Low	60	Low	48 Å²	48	120.2 Å²	120.2	34%	0.336	60%	0.604	S	S	.	*	H	α-helix	trans	-77.1	-41.7	179	82.3	0	0	0	0	112.3	D292 D293 W294 A298 T299	D292-S296 PolarHBondContact O-N 3.31Å; D293-S296 WeakPolarHBondContact CA-OG 3.49Å; D293-S296 PolarHBondContact O-N 2.93Å; D293-S296 PolarHBondContact O-OG 3.21Å; D293-S296 VanDerWaalsContact O-OG 3.13Å; W294-S296 VanDerWaalsContact C-N 3.27Å; W294-S296 PolarHBondContact O-N 3.13Å; S296-A298 PolarHBondContact O-N 3.48Å; S296-T299 WeakPolarHBondContact O-CB 3.08Å; S296-T299 PolarHBondContact O-N 3.12Å; S296-T299 VanDerWaalsContact O-N 3.1Å; S296-T299 PolarHBondContact O-OG1 3.38Å
297	L	59.5	Low	57.9	Low	128 Å²	128	119.8 Å²	119.8	67%	0.67	61%	0.612	S	S	*	*	H	α-helix	trans	-58.8	-39.1	167.6	-75.9	167.9	0	0	0	111.6	D293 W294 T299 G300	D293-L297 WeakPolarHBondContact O-CB 3.01Å; D293-L297 WeakPolarHBondContact O-CD1 3.25Å; D293-L297 VanDerWaalsContact O-CG 3.25Å; D293-L297 WeakPolarHBondContact O-CG 3.49Å; D293-L297 PolarHBondContact O-N 2.94Å; W294-L297 PolarHBondContact O-N 3.49Å; L297-T299 PolarHBondContact O-N 2.88Å; L297-T299 VanDerWaalsContact O-N 3.17Å; L297-G300 PolarHBondContact O-N 3.41Å
298	A	51.6	Low	56.2	Low	33 Å²	33	116.5 Å²	116.5	27%	0.273	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-4.7	177.3	0	0	0	0	0	113.7	W294 S296 G300 I303	W294-A298 WeakPolarHBondContact O-CB 3.35Å; W294-A298 PolarHBondContact O-N 3.38Å; S296-A298 PolarHBondContact O-N 3.48Å; A298-G300 PolarHBondContact O-N 2.69Å; A298-G300 VanDerWaalsContact O-O 3.13Å; A298-I303 HydrophobicContact CB-CD1 3.59Å; A298-I303 HydrophobicContact CB-CG1 3.58Å; A298-I303 WeakPolarHBondContact O-CD1 3.3Å; A298-I303 WeakPolarHBondContact O-CG1 3.44Å
299	T	51.3	Low	54.4	Low	122 Å²	122	122 Å²	122	75%	0.748	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-7.2	163.3	-15.7	0	0	0	0	112.8	R295 S296 L297	R295-T299 PolarHBondContact O-N 3.08Å; S296-T299 WeakPolarHBondContact O-CB 3.08Å; S296-T299 PolarHBondContact O-N 3.12Å; S296-T299 VanDerWaalsContact O-N 3.1Å; S296-T299 PolarHBondContact O-OG1 3.38Å; L297-T299 PolarHBondContact O-N 2.88Å; L297-T299 VanDerWaalsContact O-N 3.17Å
300	G	47.1	Very low	53.1	Low	39 Å²	39	119.6 Å²	119.6	40%	0.402	61%	0.614	S	S	.	*	S	Bend	trans	-69.8	157.1	162.7	0	0	0	0	0	112.2	L297 A298 E302	L297-G300 PolarHBondContact O-N 3.41Å; A298-G300 PolarHBondContact O-N 2.69Å; A298-G300 VanDerWaalsContact O-O 3.13Å; G300-E302 PolarHBondContact O-N 3.1Å
301	I	53	Low	52	Low	148 Å²	148	112.9 Å²	112.9	76%	0.759	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	5.7	-170.9	-67.1	167.6	0	0	0	113.5	F807	I301-F807 HydrophobicContact CD1-CZ 4.31Å
302	E	49.8	Very low	51.8	Low	182 Å²	182	113 Å²	113	85%	0.85	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	7	-173.4	-62.9	-178.9	-170.1	0	0	114.5	G300 C304	G300-E302 PolarHBondContact O-N 3.1Å; E302-C304 PolarHBondContact O-N 2.83Å
303	I	42.8	Very low	52.1	Low	113 Å²	113	113 Å²	113	58%	0.579	59%	0.594	S	S	*	*			trans	-73	83.3	154.5	-44.8	172.5	0	0	0	109.1	A298	A298-I303 HydrophobicContact CB-CD1 3.59Å; A298-I303 HydrophobicContact CB-CG1 3.58Å; A298-I303 WeakPolarHBondContact O-CD1 3.3Å; A298-I303 WeakPolarHBondContact O-CG1 3.44Å
304	C	43.1	Very low	52.7	Low	85 Å²	85	108.3 Å²	108.3	57%	0.574	57%	0.568	S	S	*	*	S	Bend	trans	-134.5	92	150.3	-86.2	0	0	0	0	107.6	E302 V310	E302-C304 PolarHBondContact O-N 2.83Å; C304-V310 HydrophobicContact CB-CG2 4.12Å
305	D	43.1	Very low	53.9	Low	75 Å²	75	101.8 Å²	101.8	40%	0.401	55%	0.551	S	S	.	*			trans	56	83.6	154	-52.9	-24.5	0	0	0	117	S307 G308 V310	D305-S307 PolarHBondContact O-N 2.96Å; D305-G308 PolarHBondContact O-N 3.28Å; D305-G308 VanDerWaalsContact O-O 3.05Å; D305-V310 HydrophobicContact CB-CG2 4.04Å
306	W	39.6	Very low	55.1	Low	264 Å²	264	96.5 Å²	96.5	100%	1	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-4.3	161.1	-84.6	38.4	0	0	0	113.6
307	S	39.4	Very low	56.3	Low	115 Å²	115	98.2 Å²	98.2	80%	0.804	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.3	175.5	48.3	0	0	0	0	114.4	D305	D305-S307 PolarHBondContact O-N 2.96Å
308	G	39.7	Very low	57.4	Low	43 Å²	43	93.8 Å²	93.8	44%	0.443	52%	0.516	S	S	.	.	S	Bend	trans	169.1	154	173.1	0	0	0	0	0	113.4	D305 V310	D305-G308 PolarHBondContact O-N 3.28Å; D305-G308 VanDerWaalsContact O-O 3.05Å; G308-V310 PolarHBondContact O-N 3.46Å
309	Q	37.3	Very low	58.9	Low	198 Å²	198	95.1 Å²	95.1	93%	0.925	52%	0.521	S	S	*	.			trans	-58.3	109.1	175.3	-67	178.9	-75.2	0	0	110.2	S311	Q309-S311 PolarHBondContact O-N 3.46Å
310	V	47.1	Very low	60.3	Low	58 Å²	58	89.5 Å²	89.5	35%	0.352	49%	0.486	S	S	.	.			trans	-62.2	103.1	164.9	179.4	0	0	0	0	106.9	C304 D305 G308 D312	C304-V310 HydrophobicContact CB-CG2 4.12Å; D305-V310 HydrophobicContact CB-CG2 4.04Å; G308-V310 PolarHBondContact O-N 3.46Å; V310-D312 PolarHBondContact O-N 2.8Å
311	S	52.7	Low	61.7	Low	44 Å²	44	92.2 Å²	92.2	31%	0.308	50%	0.495	S	S	.	.			trans	-77.2	109.3	-171.5	67.3	0	0	0	0	110.1	Q309 T313 P800	Q309-S311 PolarHBondContact O-N 3.46Å; S311-T313 WeakPolarHBondContact CB-OG1 3.47Å; S311-T313 PolarHBondContact O-N 3.01Å; S311-P800 WeakPolarHBondContact O-CB 3.32Å
312	D	64.1	Low	62.5	Low	98 Å²	98	86 Å²	86	52%	0.524	46%	0.463	S	S	.	.			trans	-59.8	-7.1	169.4	-82	-28.4	0	0	0	113.1	V310 Q760 A802	V310-D312 PolarHBondContact O-N 2.8Å; D312-Q760 PolarHBondContact O-NE2 3.17Å; D312-Q760 PolarHBondContact O-OE1 3.14Å; D312-Q760 VanDerWaalsContact O-OE1 3.12Å; D312-A802 WeakPolarHBondContact OD1-CB 3.42Å
313	T	78.4	Confident	63.3	Low	66 Å²	66	85 Å²	85	41%	0.405	46%	0.459	S	S	.	.	S	Bend	trans	-82.7	139.8	174.4	55.2	0	0	0	0	112.4	S311 V315	S311-T313 WeakPolarHBondContact CB-OG1 3.47Å; S311-T313 PolarHBondContact O-N 3.01Å; T313-V315 PolarHBondContact O-N 2.92Å
314	L	84.7	Confident	64.6	Low	10 Å²	10	86.9 Å²	86.9	5%	0.052	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-50	128.5	162.4	-67.1	173.2	0	0	0	111.2	I748 H762 L785 F797 I799	L314-I748 HydrophobicContact CD1-CD1 3.84Å; L314-I748 HydrophobicContact CD2-CD1 4.32Å; L314-I748 HydrophobicContact CG-CD1 3.77Å; L314-H762 PolarHBondContact N-CE1 2.89Å; L314-L785 HydrophobicContact CD1-CD2 3.98Å; L314-F797 HydrophobicContact CB-CB 4.09Å; L314-F797 HydrophobicContact CB-CD1 3.9Å; L314-F797 HydrophobicContact CB-CG 4.24Å; L314-F797 HydrophobicContact CD2-CB 4.35Å; L314-I799 HydrophobicContact CD2-CB 4.46Å; L314-I799 HydrophobicContact CD2-CG1 4.05Å
315	V	85.8	Confident	65.7	Low	70 Å²	70	85 Å²	85	42%	0.424	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.9	179.4	-179.6	0	0	0	0	109.4	T313 H317 F797 E798	T313-V315 PolarHBondContact O-N 2.92Å; V315-H317 PolarHBondContact O-N 2.96Å; V315-H317 VanDerWaalsContact O-N 3.14Å; V315-F797 CarbonylContact O-C 3.58Å; V315-F797 WeakPolarHBondContact O-CA 3.42Å; V315-E798 PolarHBondContact N-O 3.4Å; V315-E798 VanDerWaalsContact N-O 3.17Å; V315-E798 PolarHBondContact O-N 2.94Å
316	L	87.4	Confident	66.8	Low	88 Å²	88	81.6 Å²	81.6	46%	0.461	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	102.7	179.6	-179.1	63.9	0	0	0	110.8	V319 R795 F797	L316-V319 HydrophobicContact CD1-CG2 4.05Å; L316-V319 HydrophobicContact CD2-CG2 3.83Å; L316-V319 HydrophobicContact CG-CG2 4.26Å; L316-R795 HydrophobicContact CD1-CB 3.97Å; L316-R795 HydrophobicContact CD1-CG 4.33Å; L316-F797 HydrophobicContact CB-CD1 4.16Å; L316-F797 HydrophobicContact CB-CE1 3.88Å; L316-F797 HydrophobicContact CD1-CD1 4.23Å; L316-F797 HydrophobicContact CD1-CE1 3.83Å; L316-F797 HydrophobicContact CD1-CE2 4.23Å; L316-F797 HydrophobicContact CD1-CZ 3.81Å; L316-F797 HydrophobicContact CG-CE1 4.41Å
317	H	83.9	Confident	68.1	Low	84 Å²	84	75.5 Å²	75.5	39%	0.389	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-45.4	179.2	179.5	-60.5	0	0	0	112.1	V315 F376 F784 I796	V315-H317 PolarHBondContact O-N 2.96Å; V315-H317 VanDerWaalsContact O-N 3.14Å; H317-F376 AromaticContact CE1-CD1 3.88Å; H317-F784 HydrophobicContact CB-CE1 4.21Å; H317-F784 AromaticContact CD2-CE1 3.45Å; H317-F784 VanDerWaalsContact CD2-CE1 3.45Å; H317-F784 WeakPolarHBondContact CD2-CE1 3.27Å; H317-F784 AromaticContact CD2-CZ 3.8Å; H317-F784 AromaticContact CG-CE1 3.93Å; H317-I796 HydrophobicContact CB-CG2 4.48Å; H317-I796 PolarHBondContact N-O 3.2Å
318	Q	82.9	Confident	69.5	Low	35 Å²	35	75.9 Å²	75.9	16%	0.164	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	150.6	-178.7	-164	170.4	12.5	0	0	113	F320 I796	Q318-F320 HydrophobicContact CB-CE2 3.96Å; Q318-F320 HydrophobicContact CB-CZ 4.49Å; Q318-F320 HydrophobicContact CG-CD2 4.36Å; Q318-F320 HydrophobicContact CG-CE2 3.68Å; Q318-F320 HydrophobicContact CG-CZ 3.87Å; Q318-I796 PolarHBondContact N-O 3.19Å; Q318-I796 PolarHBondContact O-N 3.44Å
319	V	84.1	Confident	71.1	Confident	61 Å²	61	74.4 Å²	74.4	37%	0.37	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.9	169.9	-169.1	0	0	0	0	109.5	L316 T321 V793 L794 R795	L316-V319 HydrophobicContact CD1-CG2 4.05Å; L316-V319 HydrophobicContact CD2-CG2 3.83Å; L316-V319 HydrophobicContact CG-CG2 4.26Å; V319-T321 HydrophobicContact CG1-CG2 4.09Å; V319-V793 HydrophobicContact CG1-CG1 3.43Å; V319-V793 VanDerWaalsContact CG1-CG1 3.43Å; V319-L794 CarbonylContact C-O 3.55Å; V319-L794 WeakPolarHBondContact CA-O 3.49Å; V319-R795 HydrophobicContact CG1-CG 4.22Å; V319-R795 HydrophobicContact CG2-CG 4.26Å
320	F	79.9	Confident	73.1	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	104.6	172.4	-63.5	-95.2	0	0	0	108.4	Q318 K348 Y374 S375 P382 L794 I796	Q318-F320 HydrophobicContact CB-CE2 3.96Å; Q318-F320 HydrophobicContact CB-CZ 4.49Å; Q318-F320 HydrophobicContact CG-CD2 4.36Å; Q318-F320 HydrophobicContact CG-CE2 3.68Å; Q318-F320 HydrophobicContact CG-CZ 3.87Å; F320-K348 HydrophobicContact CE2-CD 4.44Å; F320-Y374 HydrophobicContact CB-CD2 3.75Å; F320-Y374 HydrophobicContact CB-CE2 3.63Å; F320-Y374 HydrophobicContact CB-CG 4.41Å; F320-Y374 AromaticContact CD1-CD1 3.94Å; F320-Y374 HydrophobicContact CD1-CD1 3.94Å; F320-Y374 AromaticContact CD1-CD2 3.72Å; F320-Y374 HydrophobicContact CD1-CD2 3.72Å; F320-Y374 HydrophobicContact CD1-CE1 4.48Å; F320-Y374 HydrophobicContact CD1-CE2 4.31Å; F320-Y374 AromaticContact CD1-CG 3.55Å; F320-Y374 HydrophobicContact CD1-CG 3.55Å; F320-Y374 HydrophobicContact CE1-CG 4.12Å; F320-Y374 AromaticContact CG-CD2 3.77Å; F320-Y374 HydrophobicContact CG-CD2 3.77Å; F320-Y374 HydrophobicContact CG-CE2 4.18Å; F320-Y374 HydrophobicContact CG-CG 4.11Å; F320-S375 WeakPolarHBondContact CE1-O 3.38Å; F320-P382 HydrophobicContact CD1-CB 3.76Å; F320-P382 HydrophobicContact CD1-CG 4.09Å; F320-P382 HydrophobicContact CE1-CB 3.63Å; F320-P382 HydrophobicContact CE1-CG 4.4Å; F320-L794 HydrophobicContact CB-CB 4.24Å; F320-L794 HydrophobicContact CD2-CD2 4.27Å; F320-L794 HydrophobicContact CD2-CG 4.37Å; F320-L794 PolarHBondContact N-O 3.07Å; F320-L794 PolarHBondContact O-N 2.94Å; F320-L794 VanDerWaalsContact O-N 3.16Å; F320-I796 HydrophobicContact CD2-CG1 4.14Å; F320-I796 HydrophobicContact CE2-CG1 3.81Å
321	T	77.3	Confident	74.7	Confident	95 Å²	95	64.1 Å²	64.1	58%	0.583	33%	0.332	S	S	*	.			trans	-117.4	118	170.8	42.6	0	0	0	0	108.6	V319 V793	V319-T321 HydrophobicContact CG1-CG2 4.09Å; T321-V793 HydrophobicContact CG2-CB 4.24Å; T321-V793 HydrophobicContact CG2-CG1 3.59Å; T321-V793 HydrophobicContact CG2-CG2 3.85Å
322	D	68.9	Low	76	Confident	18 Å²	18	63.7 Å²	63.7	10%	0.096	33%	0.329	C	S	.	.			trans	-113.2	125.4	175.6	169.4	43.2	0	0	0	111.7	K324 F325 A326 K327 Q383	D322-K324 WeakPolarHBondContact OD1-CB 3.16Å; D322-K324 PolarHBondContact OD1-N 3.33Å; D322-F325 VanDerWaalsContact OD2-CA 3.24Å; D322-F325 WeakPolarHBondContact OD2-CA 3.29Å; D322-F325 VanDerWaalsContact OD2-CB 3.22Å; D322-F325 WeakPolarHBondContact OD2-CB 3.49Å; D322-F325 WeakPolarHBondContact OD2-CD2 3.5Å; D322-F325 PolarHBondContact OD2-N 2.61Å; D322-A326 HydrophobicContact CB-CB 3.84Å; D322-A326 CarbonylContact O-C 3.32Å; D322-A326 WeakPolarHBondContact O-CB 3.38Å; D322-A326 PolarHBondContact O-N 3.06Å; D322-A326 PolarHBondContact OD2-N 3.47Å; D322-A326 VanDerWaalsContact OD2-N 3.09Å; D322-K327 PolarHBondContact O-N 2.86Å; D322-K327 VanDerWaalsContact O-N 3.14Å; D322-Q383 PolarHBondContact OD1-NE2 2.95Å; D322-Q383 PolarHBondContact OD2-NE2 3.17Å
323	Q	67.9	Low	76.8	Confident	162 Å²	162	60.1 Å²	60.1	76%	0.757	31%	0.311	S	S	*	.	S	Bend	trans	-86.4	-13.9	179.9	-58.7	-169.5	17.8	0	0	113.4	K327	Q323-K327 WeakPolarHBondContact O-CB 3.27Å
324	K	68.7	Low	77	Confident	151 Å²	151	57.2 Å²	57.2	66%	0.657	29%	0.293	S	S	*	.	S	Bend	trans	-87.1	-53.1	-177.6	-65.6	-179.1	179.5	176.3	0	112.4	D322	D322-K324 WeakPolarHBondContact OD1-CB 3.16Å; D322-K324 PolarHBondContact OD1-N 3.33Å
325	F	66	Low	76.9	Confident	47 Å²	47	57.3 Å²	57.3	21%	0.206	29%	0.294	C	S	.	.	S	Bend	trans	-112.8	-28.3	-173.9	-51.1	-78.4	0	0	0	114	D322 K329 L352 L370 Q383 L386 I458	D322-F325 VanDerWaalsContact OD2-CA 3.24Å; D322-F325 WeakPolarHBondContact OD2-CA 3.29Å; D322-F325 VanDerWaalsContact OD2-CB 3.22Å; D322-F325 WeakPolarHBondContact OD2-CB 3.49Å; D322-F325 WeakPolarHBondContact OD2-CD2 3.5Å; D322-F325 PolarHBondContact OD2-N 2.61Å; F325-K329 WeakPolarHBondContact O-CD 3.19Å; F325-K329 WeakPolarHBondContact O-CE 3.29Å; F325-K329 PolarHBondContact O-NZ 2.96Å; F325-L352 HydrophobicContact CB-CD1 4.03Å; F325-L370 HydrophobicContact CD1-CD1 3.79Å; F325-L370 HydrophobicContact CE1-CD1 4.07Å; F325-Q383 VanDerWaalsContact CD2-OE1 3.25Å; F325-Q383 VanDerWaalsContact CE2-OE1 3.23Å; F325-L386 HydrophobicContact CE1-CD1 4.15Å; F325-L386 HydrophobicContact CE2-CD1 4.19Å; F325-L386 HydrophobicContact CZ-CD1 3.83Å; F325-I458 HydrophobicContact CE2-CD1 4Å
326	A	66.6	Low	76.5	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.017	28%	0.28	C	S	.	.	S	Bend	trans	-91	-14	-179.6	0	0	0	0	0	115.6	D322 N328 K329 L352	D322-A326 HydrophobicContact CB-CB 3.84Å; D322-A326 CarbonylContact O-C 3.32Å; D322-A326 WeakPolarHBondContact O-CB 3.38Å; D322-A326 PolarHBondContact O-N 3.06Å; D322-A326 PolarHBondContact OD2-N 3.47Å; D322-A326 VanDerWaalsContact OD2-N 3.09Å; A326-N328 PolarHBondContact O-N 3.3Å; A326-K329 WeakPolarHBondContact O-CB 2.64Å; A326-K329 PolarHBondContact O-N 3.3Å; A326-L352 HydrophobicContact CB-CD1 3.52Å; A326-L352 HydrophobicContact CB-CD2 3.57Å; A326-L352 HydrophobicContact CB-CG 4.16Å
327	K	67.4	Low	75.9	Confident	137 Å²	137	52.1 Å²	52.1	60%	0.596	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	123.4	-178.6	-173.1	174.4	-179.8	179.9	0	111.3	D322 Q323 K329	D322-K327 PolarHBondContact O-N 2.86Å; D322-K327 VanDerWaalsContact O-N 3.14Å; Q323-K327 WeakPolarHBondContact O-CB 3.27Å; K327-K329 VanDerWaalsContact C-N 3.31Å; K327-K329 PolarHBondContact O-N 3.38Å
328	N	68.8	Low	75.2	Confident	122 Å²	122	50.5 Å²	50.5	65%	0.652	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	33.2	-176.4	-53	2.5	0	0	0	113.6	A326 S355	A326-N328 PolarHBondContact O-N 3.3Å; N328-S355 WeakPolarHBondContact O-CB 3.45Å; N328-S355 PolarHBondContact O-OG 2.97Å
329	K	72.9	Confident	74.1	Confident	13 Å²	13	50.8 Å²	50.8	6%	0.057	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-124.6	134.4	179.6	-71.5	-157.9	-158.3	163.1	0	111.6	F325 A326 K327 L353 F354 S367 G792	F325-K329 WeakPolarHBondContact O-CD 3.19Å; F325-K329 WeakPolarHBondContact O-CE 3.29Å; F325-K329 PolarHBondContact O-NZ 2.96Å; A326-K329 WeakPolarHBondContact O-CB 2.64Å; A326-K329 PolarHBondContact O-N 3.3Å; K327-K329 VanDerWaalsContact C-N 3.31Å; K327-K329 PolarHBondContact O-N 3.38Å; K329-L353 CarbonylContact C-O 3.48Å; K329-L353 WeakPolarHBondContact CA-O 3.37Å; K329-L353 WeakPolarHBondContact CB-O 2.63Å; K329-F354 HydrophobicContact CD-CD2 4.08Å; K329-F354 HydrophobicContact CG-CD2 4.37Å; K329-S367 WeakPolarHBondContact CE-OG 3.46Å; K329-S367 PolarHBondContact NZ-OG 3.1Å; K329-G792 WeakPolarHBondContact O-CA 3.32Å; K329-G792 PolarHBondContact O-N 2.7Å; K329-G792 VanDerWaalsContact O-N 3.07Å
330	T	79.1	Confident	72.8	Confident	39 Å²	39	50.6 Å²	50.6	24%	0.239	26%	0.259	C	S	.	.			trans	-85.7	123.5	-177.5	58.5	0	0	0	0	111.2	S332 L353 F354 D790	T330-S332 PolarHBondContact O-N 2.79Å; T330-L353 CarbonylContact C-O 3.6Å; T330-L353 PolarHBondContact N-O 2.68Å; T330-L353 CarbonylContact O-C 3.57Å; T330-L353 PolarHBondContact O-N 2.81Å; T330-L353 VanDerWaalsContact O-N 3.16Å; T330-F354 PolarHBondContact OG1-O 2.86Å; T330-D790 HydrophobicContact CG2-CB 3.99Å; T330-D790 WeakPolarHBondContact CG2-O 3.25Å
331	I	81.8	Confident	71.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.276	C	S	.	.			trans	-72.5	105.4	175.9	-70.2	164.7	0	0	0	109	L352 T771 A788 D789 L794	I331-L352 HydrophobicContact CD1-CD2 4.13Å; I331-L352 HydrophobicContact CG1-CD2 3.86Å; I331-T771 WeakPolarHBondContact O-CB 3Å; I331-T771 PolarHBondContact O-OG1 2.86Å; I331-A788 HydrophobicContact CB-CB 3.81Å; I331-A788 HydrophobicContact CD1-CB 3.85Å; I331-A788 HydrophobicContact CG1-CB 4.43Å; I331-A788 HydrophobicContact CG2-CB 3.44Å; I331-A788 VanDerWaalsContact CG2-CB 3.44Å; I331-D789 PolarHBondContact N-O 3.25Å; I331-L794 HydrophobicContact CD1-CB 4.17Å
332	S	79.8	Confident	69.3	Low	36 Å²	36	51.8 Å²	51.8	25%	0.252	27%	0.269	S	S	.	.			trans	-81.1	-30.1	-170.2	98	0	0	0	0	113.9	T330 K351 I393 L394	T330-S332 PolarHBondContact O-N 2.79Å; S332-K351 WeakPolarHBondContact OG-CE 3.33Å; S332-K351 PolarHBondContact OG-NZ 3.33Å; S332-I393 PolarHBondContact OG-O 3.38Å; S332-L394 PolarHBondContact OG-O 3.39Å; S332-L394 VanDerWaalsContact OG-O 3.08Å
333	C	80.7	Confident	67.5	Low	22 Å²	22	60.3 Å²	60.3	15%	0.149	31%	0.305	C	S	.	.			trans	-165.7	165.4	169.5	55.1	0	0	0	0	111.1	K351 L394	C333-K351 PolarHBondContact SG-NZ 3.14Å; C333-L394 PolarHBondContact SG-O 3.12Å
334	L	83.4	Confident	65.7	Low	5 Å²	5	58 Å²	58	3%	0.026	30%	0.301	C	S	.	.			trans	-136.8	148.4	-172.8	177.4	147	0	0	0	111	V350 C772 K774 A786 L794	L334-V350 HydrophobicContact CD1-CG1 4.42Å; L334-V350 HydrophobicContact CD1-CG2 4.2Å; L334-C772 VanDerWaalsContact CB-SG 3.56Å; L334-K774 HydrophobicContact CD2-CB 4.03Å; L334-K774 HydrophobicContact CD2-CG 4.43Å; L334-K774 VanDerWaalsContact O-CD 3.25Å; L334-K774 WeakPolarHBondContact O-CD 3.46Å; L334-K774 WeakPolarHBondContact O-CE 3.34Å; L334-K774 PolarHBondContact O-NZ 3.22Å; L334-A786 HydrophobicContact CD1-CB 3.77Å; L334-A786 HydrophobicContact CD2-CB 3.63Å; L334-A786 HydrophobicContact CG-CB 4.39Å; L334-L794 HydrophobicContact CD1-CD1 3.48Å; L334-L794 VanDerWaalsContact CD1-CD1 3.48Å; L334-L794 HydrophobicContact CD1-CD2 3.78Å; L334-L794 HydrophobicContact CD1-CG 4.28Å
335	N	81.6	Confident	64	Low	12 Å²	12	54 Å²	54	6%	0.064	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.6	172.3	-73.5	-62.2	0	0	0	112	A349 F396 F398 K774	N335-A349 HydrophobicContact CB-CB 4.44Å; N335-A349 PolarHBondContact N-O 3.35Å; N335-A349 VanDerWaalsContact N-O 3.15Å; N335-A349 CarbonylContact O-C 3.45Å; N335-A349 WeakPolarHBondContact O-CB 3.26Å; N335-A349 PolarHBondContact O-N 3.2Å; N335-A349 VanDerWaalsContact O-N 3.11Å; N335-F396 HydrophobicContact CB-CE1 4.45Å; N335-F396 HydrophobicContact CB-CE2 3.94Å; N335-F396 HydrophobicContact CB-CZ 3.75Å; N335-F396 WeakPolarHBondContact ND2-CD1 3.5Å; N335-F396 WeakPolarHBondContact ND2-CE1 3.46Å; N335-F396 VanDerWaalsContact ND2-CE2 3.33Å; N335-F396 WeakPolarHBondContact ND2-CE2 3.22Å; N335-F396 WeakPolarHBondContact ND2-CZ 3.35Å; N335-F396 PolarHBondContact ND2-O 3.45Å; N335-F398 HydrophobicContact CB-CD2 4.1Å; N335-F398 HydrophobicContact CB-CE2 3.88Å; N335-K774 PolarHBondContact OD1-NZ 3.44Å
336	W	77.7	Confident	62.9	Low	36 Å²	36	53.4 Å²	53.4	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	150.8	166.4	-63.7	102.6	0	0	0	109.6	K348 F376 K774 C776 F784 A786 I796	W336-K348 HydrophobicContact CE3-CG 4.21Å; W336-K348 HydrophobicContact CH2-CD 4.21Å; W336-K348 HydrophobicContact CZ3-CD 3.85Å; W336-K348 HydrophobicContact CZ3-CG 3.8Å; W336-F376 HydrophobicContact CZ3-CZ 4.42Å; W336-K774 PolarHBondContact NE1-O 2.91Å; W336-C776 HydrophobicContact CD2-CB 3.61Å; W336-C776 VanDerWaalsContact CE2-CB 3.49Å; W336-C776 HydrophobicContact CE3-CB 4.19Å; W336-C776 HydrophobicContact CG-CB 3.77Å; W336-C776 HydrophobicContact CH2-CB 4.43Å; W336-C776 HydrophobicContact CZ2-CB 3.91Å; W336-F784 HydrophobicContact CH2-CB 3.94Å; W336-F784 HydrophobicContact CZ2-CB 4.11Å; W336-A786 HydrophobicContact CH2-CB 4.4Å; W336-A786 HydrophobicContact CZ2-CB 3.49Å; W336-A786 VanDerWaalsContact CZ2-CB 3.49Å; W336-I796 HydrophobicContact CH2-CD1 4Å; W336-I796 HydrophobicContact CH2-CG2 4.4Å; W336-I796 HydrophobicContact CZ2-CD1 4.33Å
337	H	74.9	Confident	61.7	Low	14 Å²	14	54.1 Å²	54.1	7%	0.065	29%	0.286	C	S	.	.			trans	-83.6	127.6	-179.5	-175.4	-96.7	0	0	0	110.5	T339 H341 F347 F398 P403	H337-T339 PolarHBondContact CE1-OG1 3.15Å; H337-T339 VanDerWaalsContact CE1-OG1 3.31Å; H337-T339 PolarHBondContact O-N 3.2Å; H337-H341 PolarHBondContact O-NE2 3.48Å; H337-F347 HydrophobicContact CB-CB 3.82Å; H337-F398 AromaticContact CD2-CE1 3.81Å; H337-P403 WeakPolarHBondContact NE2-CB 3.03Å
338	P	68.1	Low	60.8	Low	49 Å²	49	47.8 Å²	47.8	32%	0.318	26%	0.258	S	S	.	.	S	Bend	trans	-83.8	-8.8	-157.3	31	-37.4	0	0	0	117.6	H341 F398 P403	P338-H341 PolarHBondContact O-CD2 2.98Å; P338-H341 PolarHBondContact O-NE2 2.93Å; P338-F398 HydrophobicContact CG-CB 3.99Å; P338-F398 HydrophobicContact CG-CG 4.35Å; P338-P403 HydrophobicContact CG-CB 3.94Å; P338-P403 HydrophobicContact CG-CG 4.1Å
339	T	60.6	Low	59.4	Low	42 Å²	42	42 Å²	42	26%	0.258	23%	0.227	S	C	.	.	S	Bend	trans	-110.2	-19.2	178.8	40.2	0	0	0	0	115.3	H337 H341 P403 M595	H337-T339 PolarHBondContact CE1-OG1 3.15Å; H337-T339 VanDerWaalsContact CE1-OG1 3.31Å; H337-T339 PolarHBondContact O-N 3.2Å; T339-H341 VanDerWaalsContact C-N 3.25Å; T339-H341 PolarHBondContact O-N 3.49Å; T339-P403 HydrophobicContact CG2-CG 3.39Å; T339-P403 WeakPolarHBondContact OG1-CG 3.49Å; T339-M595 HydrophobicContact CG2-CE 4.01Å
340	I	57.3	Low	57.9	Low	57 Å²	57	41.4 Å²	41.4	29%	0.292	23%	0.225	S	C	.	.			trans	-93.3	67.2	-168.2	-59.2	175.6	0	0	0	109.1	F347 I427	I340-F347 HydrophobicContact CD1-CD2 3.34Å; I340-F347 HydrophobicContact CD1-CE2 3.94Å; I340-F347 HydrophobicContact CD1-CG 4.2Å; I340-F347 HydrophobicContact CG2-CD2 4.38Å; I340-I427 HydrophobicContact CD1-CG2 4.48Å
341	H	48	Very low	56.3	Low	82 Å²	82	39.5 Å²	39.5	38%	0.38	21%	0.213	S	C	.	.			trans	-116.6	75.1	-178.1	-66.1	-87.8	0	0	0	110.4	H337 P338 T339 S777	H337-H341 PolarHBondContact O-NE2 3.48Å; P338-H341 PolarHBondContact O-CD2 2.98Å; P338-H341 PolarHBondContact O-NE2 2.93Å; T339-H341 VanDerWaalsContact C-N 3.25Å; T339-H341 PolarHBondContact O-N 3.49Å; H341-S777 PolarHBondContact CE1-O 2.89Å; H341-S777 PolarHBondContact ND1-O 2.59Å
342	G	35.1	Very low	54.3	Low	42 Å²	42	39.7 Å²	39.7	43%	0.433	21%	0.214	S	C	.	.	S	Bend	trans	156.6	141.9	173.4	0	0	0	0	0	113.8
343	K	30.4	Very low	52.4	Low	197 Å²	197	38.3 Å²	38.3	86%	0.857	20%	0.204	S	C	*	.	S	Bend	trans	48	86.8	174.8	-63.5	-169.3	177.6	-171.7	0	115
344	V	30.2	Very low	50.4	Low	112 Å²	112	40.8 Å²	40.8	68%	0.679	21%	0.212	S	C	*	.	S	Bend	trans	39.2	113.8	156.7	-155.8	0	0	0	0	116.1
345	Q	33.1	Very low	47.8	Very low	68 Å²	68	42.6 Å²	42.6	32%	0.318	23%	0.226	S	C	.	.			trans	111	60.1	169.2	-45.3	-149.5	17.8	0	0	120.1	S377	Q345-S377 PolarHBondContact OE1-OG 2.78Å
346	H	43.2	Very low	45.5	Very low	34 Å²	34	49.5 Å²	49.5	16%	0.157	26%	0.257	C	S	.	.				68.2	107	120	-46	133.1	0	0	0	122.8	S375 F376 S377	H346-S375 VanDerWaalsContact CB-OG 3.26Å; H346-S375 WeakPolarHBondContact CB-OG 3.44Å; H346-S375 PolarHBondContact CE1-OG 3.16Å; H346-F376 HydrophobicContact CB-CB 4.48Å; H346-F376 HydrophobicContact CB-CD2 3.79Å; H346-F376 WeakPolarHBondContact CD2-CB 3.38Å; H346-F376 AromaticContact CD2-CD2 3.34Å; H346-F376 WeakPolarHBondContact CD2-CD2 3.38Å; H346-F376 AromaticContact CD2-CG 3.52Å; H346-F376 VanDerWaalsContact CE1-C 3.41Å; H346-F376 AromaticContact CG-CD2 3.68Å; H346-F376 VanDerWaalsContact ND1-C 3.32Å; H346-S377 WeakPolarHBondContact CE1-CA 3.28Å; H346-S377 WeakPolarHBondContact CE1-CB 3.4Å; H346-S377 PolarHBondContact CE1-N 3.14Å; H346-S377 CovalentContact CE1-OG 1.81Å; H346-S377 PolarHBondContact CE1-OG 3.35Å; H346-S377 WeakPolarHBondContact ND1-CA 3.42Å; H346-S377 PolarHBondContact ND1-N 3.22Å; H346-S377 PolarHBondContact ND1-OG 3.17Å; H346-S377 VanDerWaalsContact NE2-CA 3.29Å; H346-S377 WeakPolarHBondContact NE2-CA 3.28Å
347	F	41.4	Very low	43.3	Very low	18 Å²	18	54.7 Å²	54.7	8%	0.079	28%	0.283	C	S	.	.			trans	-141.2	134.8	145.9	-80.5	-78.7	0	0	0	113.4	H337 I340 Q384 F385 I427	H337-F347 HydrophobicContact CB-CB 3.82Å; I340-F347 HydrophobicContact CD1-CD2 3.34Å; I340-F347 HydrophobicContact CD1-CE2 3.94Å; I340-F347 HydrophobicContact CD1-CG 4.2Å; I340-F347 HydrophobicContact CG2-CD2 4.38Å; F347-Q384 VanDerWaalsContact CE1-OE1 3.3Å; F347-F385 HydrophobicContact CD1-CE1 4.42Å; F347-F385 HydrophobicContact CE1-CE1 4.05Å; F347-I427 HydrophobicContact CD2-CG2 4.2Å; F347-I427 HydrophobicContact CE1-CB 4.3Å; F347-I427 HydrophobicContact CE1-CG1 4Å; F347-I427 HydrophobicContact CE1-CG2 4.04Å; F347-I427 HydrophobicContact CE2-CB 4.36Å; F347-I427 HydrophobicContact CE2-CG2 3.48Å; F347-I427 VanDerWaalsContact CE2-CG2 3.48Å; F347-I427 WeakPolarHBondContact CE2-O 3.42Å; F347-I427 HydrophobicContact CZ-CB 3.81Å; F347-I427 HydrophobicContact CZ-CG1 4.04Å; F347-I427 HydrophobicContact CZ-CG2 3.42Å; F347-I427 VanDerWaalsContact CZ-CG2 3.42Å; F347-I427 VanDerWaalsContact CZ-O 3.29Å; F347-I427 WeakPolarHBondContact CZ-O 3.23Å
348	K	48.6	Very low	41.1	Very low	3 Å²	3	63.4 Å²	63.4	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.5	164.2	-49.8	-167.8	-178.5	87	0	110.6	F320 W336 V350 F373 Y374 F376 L794 I796	F320-K348 HydrophobicContact CE2-CD 4.44Å; W336-K348 HydrophobicContact CE3-CG 4.21Å; W336-K348 HydrophobicContact CH2-CD 4.21Å; W336-K348 HydrophobicContact CZ3-CD 3.85Å; W336-K348 HydrophobicContact CZ3-CG 3.8Å; K348-V350 HydrophobicContact CB-CG2 3.61Å; K348-V350 HydrophobicContact CD-CG2 4.4Å; K348-F373 WeakPolarHBondContact O-CA 3.33Å; K348-Y374 VanDerWaalsContact CB-O 3.29Å; K348-Y374 WeakPolarHBondContact CB-O 3.38Å; K348-Y374 PolarHBondContact N-O 2.98Å; K348-Y374 PolarHBondContact O-N 3.15Å; K348-F376 HydrophobicContact CD-CE2 4.22Å; K348-F376 HydrophobicContact CD-CZ 4.45Å; K348-F376 HydrophobicContact CG-CD2 4.4Å; K348-F376 HydrophobicContact CG-CE2 3.86Å; K348-F376 HydrophobicContact CG-CZ 4.48Å; K348-L794 HydrophobicContact CD-CD2 4.41Å; K348-I796 HydrophobicContact CD-CD1 3.93Å; K348-I796 HydrophobicContact CD-CG1 4.37Å
349	A	39.8	Very low	39.5	Very low	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	96.3	173.7	0	0	0	0	0	109.5	N335 F373 F396 F398	N335-A349 HydrophobicContact CB-CB 4.44Å; N335-A349 PolarHBondContact N-O 3.35Å; N335-A349 VanDerWaalsContact N-O 3.15Å; N335-A349 CarbonylContact O-C 3.45Å; N335-A349 WeakPolarHBondContact O-CB 3.26Å; N335-A349 PolarHBondContact O-N 3.2Å; N335-A349 VanDerWaalsContact O-N 3.11Å; A349-F373 HydrophobicContact CB-CD1 4.12Å; A349-F373 HydrophobicContact CB-CE1 3.55Å; A349-F373 HydrophobicContact CB-CZ 3.8Å; A349-F396 HydrophobicContact CB-CE2 3.97Å; A349-F396 HydrophobicContact CB-CZ 4.1Å; A349-F398 HydrophobicContact CB-CE2 3.47Å; A349-F398 VanDerWaalsContact CB-CE2 3.47Å; A349-F398 HydrophobicContact CB-CZ 3.43Å; A349-F398 VanDerWaalsContact CB-CZ 3.43Å
350	V	40.8	Very low	38	Very low	1 Å²	1	76.5 Å²	76.5	1%	0.006	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	80.8	-167.9	-176.1	0	0	0	0	108.3	L334 K348 L352 V372 Y374 L794	L334-V350 HydrophobicContact CD1-CG1 4.42Å; L334-V350 HydrophobicContact CD1-CG2 4.2Å; K348-V350 HydrophobicContact CB-CG2 3.61Å; K348-V350 HydrophobicContact CD-CG2 4.4Å; V350-L352 PolarHBondContact O-N 2.77Å; V350-V372 CarbonylContact C-O 3.57Å; V350-V372 WeakPolarHBondContact CA-O 3.33Å; V350-V372 PolarHBondContact N-O 2.89Å; V350-Y374 HydrophobicContact CB-CD2 3.45Å; V350-Y374 VanDerWaalsContact CB-CD2 3.45Å; V350-Y374 HydrophobicContact CB-CE2 3.88Å; V350-Y374 HydrophobicContact CB-CG 4.3Å; V350-Y374 HydrophobicContact CG1-CD2 3.62Å; V350-Y374 HydrophobicContact CG1-CE2 3.59Å; V350-Y374 HydrophobicContact CG2-CD2 3.73Å; V350-Y374 HydrophobicContact CG2-CG 4.44Å; V350-L794 HydrophobicContact CB-CD2 4.07Å; V350-L794 HydrophobicContact CG1-CB 4.23Å; V350-L794 HydrophobicContact CG1-CD2 3.53Å; V350-L794 HydrophobicContact CG1-CG 4.48Å; V350-L794 HydrophobicContact CG2-CD2 3.37Å
351	K	45.3	Very low	36.5	Very low	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.4	C	S	.	.			trans	-62.7	99.7	173.1	172.5	-177	164.4	-154.7	0	110.4	S332 C333 I371 I393 L394 F396	S332-K351 WeakPolarHBondContact OG-CE 3.33Å; S332-K351 PolarHBondContact OG-NZ 3.33Å; C333-K351 PolarHBondContact SG-NZ 3.14Å; K351-I371 HydrophobicContact CB-CG1 4.19Å; K351-I371 HydrophobicContact CB-CG2 4.02Å; K351-I371 HydrophobicContact CD-CG1 4.22Å; K351-I371 HydrophobicContact CG-CG1 3.93Å; K351-I393 HydrophobicContact CD-CG2 4.42Å; K351-I393 WeakPolarHBondContact CE-O 3.46Å; K351-I393 VanDerWaalsContact NZ-C 3.25Å; K351-I393 PolarHBondContact NZ-O 3.43Å; K351-L394 PolarHBondContact NZ-O 1.81Å; K351-F396 HydrophobicContact CB-CD1 4.13Å; K351-F396 HydrophobicContact CB-CE1 3.5Å; K351-F396 VanDerWaalsContact CB-CE1 3.5Å; K351-F396 HydrophobicContact CB-CZ 3.96Å; K351-F396 HydrophobicContact CD-CD1 3.43Å; K351-F396 VanDerWaalsContact CD-CD1 3.43Å; K351-F396 HydrophobicContact CD-CE1 3.66Å; K351-F396 HydrophobicContact CD-CG 4.3Å; K351-F396 HydrophobicContact CG-CD1 4.46Å; K351-F396 HydrophobicContact CG-CE1 4.28Å
352	L	39.5	Very low	35.9	Very low	3 Å²	3	81.3 Å²	81.3	2%	0.016	42%	0.423	C	S	.	.			trans	-60.4	152.1	151.8	-49.4	178.9	0	0	0	108.7	F325 A326 I331 V350 V372	F325-L352 HydrophobicContact CB-CD1 4.03Å; A326-L352 HydrophobicContact CB-CD1 3.52Å; A326-L352 HydrophobicContact CB-CD2 3.57Å; A326-L352 HydrophobicContact CB-CG 4.16Å; I331-L352 HydrophobicContact CD1-CD2 4.13Å; I331-L352 HydrophobicContact CG1-CD2 3.86Å; V350-L352 PolarHBondContact O-N 2.77Å; L352-V372 HydrophobicContact CB-CG2 4.42Å; L352-V372 HydrophobicContact CD1-CB 4.18Å; L352-V372 HydrophobicContact CD1-CG2 3.38Å; L352-V372 HydrophobicContact CG-CB 4.17Å; L352-V372 HydrophobicContact CG-CG2 3.74Å
353	L	41.6	Very low	35.9	Very low	7 Å²	7	88.4 Å²	88.4	4%	0.037	45%	0.445	C	S	.	.			trans	-148	158.6	164.1	-151	85.6	0	0	0	112.1	K329 T330 D392 I393 L394	K329-L353 CarbonylContact C-O 3.48Å; K329-L353 WeakPolarHBondContact CA-O 3.37Å; K329-L353 WeakPolarHBondContact CB-O 2.63Å; T330-L353 CarbonylContact C-O 3.6Å; T330-L353 PolarHBondContact N-O 2.68Å; T330-L353 CarbonylContact O-C 3.57Å; T330-L353 PolarHBondContact O-N 2.81Å; T330-L353 VanDerWaalsContact O-N 3.16Å; L353-D392 HydrophobicContact CD2-CB 3.76Å; L353-D392 HydrophobicContact CG-CB 4.32Å; L353-D392 VanDerWaalsContact CG-OD1 3.29Å; L353-D392 WeakPolarHBondContact CG-OD1 3.25Å; L353-I393 HydrophobicContact CD1-CB 4.14Å; L353-I393 WeakPolarHBondContact CD1-O 3.32Å; L353-I393 WeakPolarHBondContact CD2-O 3.45Å; L353-L394 HydrophobicContact CD2-CD2 4.13Å
354	F	37.6	Very low	36.1	Very low	75 Å²	75	85.6 Å²	85.6	33%	0.329	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-66.5	145.3	-173.7	-152.9	-100.6	0	0	0	112.8	K329 T330 S366 D392	K329-F354 HydrophobicContact CD-CD2 4.08Å; K329-F354 HydrophobicContact CG-CD2 4.37Å; T330-F354 PolarHBondContact OG1-O 2.86Å; F354-S366 VanDerWaalsContact CE2-OG 3.27Å; F354-S366 WeakPolarHBondContact CE2-OG 3.21Å; F354-S366 VanDerWaalsContact CZ-OG 3.28Å; F354-S366 WeakPolarHBondContact CZ-OG 3.4Å; F354-D392 VanDerWaalsContact CB-OD1 3.25Å; F354-D392 WeakPolarHBondContact CB-OD1 3.33Å; F354-D392 WeakPolarHBondContact CB-OD2 3.39Å; F354-D392 PolarHBondContact N-OD1 3.17Å
355	S	29.4	Very low	36.4	Very low	43 Å²	43	84.9 Å²	84.9	30%	0.301	45%	0.451	S	S	.	.			trans	-77	132.8	175.3	60.5	0	0	0	0	111.3	N328 Q357	N328-S355 WeakPolarHBondContact O-CB 3.45Å; N328-S355 PolarHBondContact O-OG 2.97Å; S355-Q357 PolarHBondContact O-N 3.18Å
356	H	32.1	Very low	37.3	Very low	157 Å²	157	85.7 Å²	85.7	73%	0.727	46%	0.464	S	S	*	.			trans	-81.1	107.8	170.8	-163.4	72.5	0	0	0	112
357	Q	32.5	Very low	38	Very low	144 Å²	144	86.2 Å²	86.2	67%	0.673	47%	0.471	S	S	*	.			trans	37.7	112.7	155.5	-59.6	-171.5	3.9	0	0	119.9	S355	S355-Q357 PolarHBondContact O-N 3.18Å
358	E	28.5	Very low	39.1	Very low	197 Å²	197	88.7 Å²	88.7	92%	0.921	49%	0.489	S	S	*	.				-117.2	155	121.9	-79.9	-153.5	150.5	0	0	109.9
359	Q	34.3	Very low	40.1	Very low	173 Å²	173	89.7 Å²	89.7	81%	0.808	50%	0.496	S	S	*	.			trans	-81.2	123.4	-173.2	-63.2	175.5	-8.5	0	0	113
360	K	29.4	Very low	41.8	Very low	194 Å²	194	90.2 Å²	90.2	84%	0.843	50%	0.499	S	S	*	.			trans	-167.2	146.4	137.9	-100.7	134.7	-159.5	159.3	0	113.5
361	T	26.4	Very low	43.5	Very low	134 Å²	134	90.2 Å²	90.2	82%	0.822	50%	0.498	S	S	*	.			trans	47.3	100.4	163.8	49.6	0	0	0	0	117.5	E363	T361-E363 PolarHBondContact O-N 2.98Å
362	A	35.3	Very low	45	Very low	105 Å²	105	90.2 Å²	90.2	87%	0.868	50%	0.498	S	S	*	.			trans	-74.7	99.4	167.6	0	0	0	0	0	111.1
363	E	35.4	Very low	46.8	Very low	192 Å²	192	90.1 Å²	90.1	90%	0.897	50%	0.498	S	S	*	.			trans	-157.7	21.1	166.6	-128.4	165.5	-137.2	0	0	114.4	T361	T361-E363 PolarHBondContact O-N 2.98Å
364	T	34.5	Very low	48.4	Very low	137 Å²	137	89.8 Å²	89.8	84%	0.84	50%	0.496	S	S	*	.	S	Bend	trans	-129.3	122.9	172.7	-54	0	0	0	0	109.3	S366	T364-S366 PolarHBondContact O-N 3.19Å
365	A	36.3	Very low	49.9	Very low	98 Å²	98	86.5 Å²	86.5	81%	0.81	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-64	123.5	177.5	0	0	0	0	0	109.6	S367	A365-S367 PolarHBondContact O-N 3.1Å
366	S	50.6	Low	51.8	Low	85 Å²	85	85.6 Å²	85.6	59%	0.594	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-66.2	125.8	-179.1	-163.2	0	0	0	0	110.3	F354 T364	F354-S366 VanDerWaalsContact CE2-OG 3.27Å; F354-S366 WeakPolarHBondContact CE2-OG 3.21Å; F354-S366 VanDerWaalsContact CZ-OG 3.28Å; F354-S366 WeakPolarHBondContact CZ-OG 3.4Å; T364-S366 PolarHBondContact O-N 3.19Å
367	S	58.4	Low	53.3	Low	45 Å²	45	80 Å²	80	32%	0.315	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-59.7	142.4	167.2	63.1	0	0	0	0	109.4	K329 A365	K329-S367 WeakPolarHBondContact CE-OG 3.46Å; K329-S367 PolarHBondContact NZ-OG 3.1Å; A365-S367 PolarHBondContact O-N 3.1Å
368	P	64.3	Low	54.7	Low	69 Å²	69	76 Å²	76	45%	0.448	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-57.4	156.7	173.4	25.6	-34.5	0	0	0	111.7	L370	P368-L370 HydrophobicContact CG-CD2 4.42Å; P368-L370 HydrophobicContact CG-CG 4.39Å
369	P	70.3	Confident	56.3	Low	24 Å²	24	71.5 Å²	71.5	16%	0.156	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-65	135	167.9	24.9	-27.2	0	0	0	109.4	C389 D391	P369-C389 HydrophobicContact CB-CB 4.15Å; P369-C389 HydrophobicContact CG-CB 4.02Å; P369-C389 WeakPolarHBondContact O-CB 3.46Å; P369-C389 PolarHBondContact O-N 3.33Å; P369-D391 VanDerWaalsContact CG-C 3.49Å; P369-D391 WeakPolarHBondContact CG-O 3.29Å
370	L	74.5	Confident	57.5	Low	12 Å²	12	67.5 Å²	67.5	6%	0.063	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.6	-172.7	-66.8	171.4	0	0	0	110.6	F325 P368 L386 L387	F325-L370 HydrophobicContact CD1-CD1 3.79Å; F325-L370 HydrophobicContact CE1-CD1 4.07Å; P368-L370 HydrophobicContact CG-CD2 4.42Å; P368-L370 HydrophobicContact CG-CG 4.39Å; L370-L386 HydrophobicContact CD1-CD1 4.37Å; L370-L386 HydrophobicContact CD2-CB 4.48Å; L370-L387 WeakPolarHBondContact CA-O 3.39Å; L370-L387 WeakPolarHBondContact CD2-O 3.16Å
371	I	77.5	Confident	58.8	Low	0 Å²	0	62.9 Å²	62.9	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.9	163.2	-61.6	167.1	0	0	0	107.7	K351 F373 L386 L387 I393 W418	K351-I371 HydrophobicContact CB-CG1 4.19Å; K351-I371 HydrophobicContact CB-CG2 4.02Å; K351-I371 HydrophobicContact CD-CG1 4.22Å; K351-I371 HydrophobicContact CG-CG1 3.93Å; I371-F373 HydrophobicContact CG2-CD2 4.25Å; I371-F373 HydrophobicContact CG2-CE2 3.72Å; I371-L386 CarbonylContact O-C 3.46Å; I371-L386 WeakPolarHBondContact O-CA 3.44Å; I371-L387 HydrophobicContact CB-CB 3.99Å; I371-L387 HydrophobicContact CB-CD1 4.02Å; I371-L387 HydrophobicContact CB-CG 4.04Å; I371-L387 HydrophobicContact CD1-CD1 3.89Å; I371-L387 HydrophobicContact CG2-CD1 4.16Å; I371-L387 HydrophobicContact CG2-CG 4.4Å; I371-L387 PolarHBondContact N-O 3.12Å; I371-L387 PolarHBondContact O-N 2.92Å; I371-I393 HydrophobicContact CD1-CD1 3.72Å; I371-I393 HydrophobicContact CG1-CD1 4.18Å; I371-W418 HydrophobicContact CD1-CH2 4.18Å; I371-W418 HydrophobicContact CD1-CZ2 4.34Å
372	V	76.5	Confident	60.3	Low	0 Å²	0	57.5 Å²	57.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.3	-179.3	-176.2	0	0	0	0	110.6	V350 L352 Y374 Q383 L386	V350-V372 CarbonylContact C-O 3.57Å; V350-V372 WeakPolarHBondContact CA-O 3.33Å; V350-V372 PolarHBondContact N-O 2.89Å; L352-V372 HydrophobicContact CB-CG2 4.42Å; L352-V372 HydrophobicContact CD1-CB 4.18Å; L352-V372 HydrophobicContact CD1-CG2 3.38Å; L352-V372 HydrophobicContact CG-CB 4.17Å; L352-V372 HydrophobicContact CG-CG2 3.74Å; V372-Y374 HydrophobicContact CG1-CD1 3.96Å; V372-Y374 HydrophobicContact CG1-CE1 3.65Å; V372-Q383 HydrophobicContact CG1-CG 3.94Å; V372-L386 HydrophobicContact CB-CD2 4.23Å; V372-L386 HydrophobicContact CG1-CD2 4.08Å; V372-L386 HydrophobicContact CG2-CD2 3.62Å
373	F	76.8	Confident	61.6	Low	1 Å²	1	53.6 Å²	53.6	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.4	174	-79.7	-105.5	0	0	0	110	K348 A349 I371 Q384 F385 L387 F398 I406	K348-F373 WeakPolarHBondContact O-CA 3.33Å; A349-F373 HydrophobicContact CB-CD1 4.12Å; A349-F373 HydrophobicContact CB-CE1 3.55Å; A349-F373 HydrophobicContact CB-CZ 3.8Å; I371-F373 HydrophobicContact CG2-CD2 4.25Å; I371-F373 HydrophobicContact CG2-CE2 3.72Å; F373-Q384 PolarHBondContact O-N 2.94Å; F373-F385 HydrophobicContact CB-CD1 3.83Å; F373-F385 HydrophobicContact CB-CD2 4.2Å; F373-F385 HydrophobicContact CB-CE1 3.65Å; F373-F385 HydrophobicContact CB-CE2 4.05Å; F373-F385 HydrophobicContact CB-CG 4.1Å; F373-F385 HydrophobicContact CB-CZ 3.79Å; F373-F385 AromaticContact CD1-CE1 3.76Å; F373-F385 HydrophobicContact CD1-CE1 3.76Å; F373-F385 AromaticContact CD1-CE2 3.75Å; F373-F385 HydrophobicContact CD1-CE2 3.75Å; F373-F385 AromaticContact CD1-CZ 3.21Å; F373-F385 HydrophobicContact CD1-CZ 3.21Å; F373-F385 AromaticContact CD2-CD2 3.69Å; F373-F385 HydrophobicContact CD2-CD2 3.69Å; F373-F385 HydrophobicContact CD2-CE1 4.38Å; F373-F385 AromaticContact CD2-CE2 3.24Å; F373-F385 HydrophobicContact CD2-CE2 3.24Å; F373-F385 HydrophobicContact CD2-CG 4.43Å; F373-F385 AromaticContact CD2-CZ 3.66Å; F373-F385 HydrophobicContact CD2-CZ 3.66Å; F373-F385 AromaticContact CE1-CE2 3.96Å; F373-F385 HydrophobicContact CE1-CE2 3.96Å; F373-F385 AromaticContact CE1-CZ 3.58Å; F373-F385 HydrophobicContact CE1-CZ 3.58Å; F373-F385 HydrophobicContact CE2-CD2 4.27Å; F373-F385 AromaticContact CE2-CE2 3.52Å; F373-F385 HydrophobicContact CE2-CE2 3.52Å; F373-F385 HydrophobicContact CE2-CZ 4.02Å; F373-F385 HydrophobicContact CG-CD1 4.2Å; F373-F385 AromaticContact CG-CD2 3.94Å; F373-F385 HydrophobicContact CG-CD2 3.94Å; F373-F385 AromaticContact CG-CE1 3.67Å; F373-F385 HydrophobicContact CG-CE1 3.67Å; F373-F385 AromaticContact CG-CE2 3.38Å; F373-F385 HydrophobicContact CG-CE2 3.38Å; F373-F385 HydrophobicContact CG-CG 4.32Å; F373-F385 AromaticContact CG-CZ 3.24Å; F373-F385 HydrophobicContact CG-CZ 3.24Å; F373-F385 AromaticContact CZ-CE2 3.86Å; F373-F385 HydrophobicContact CZ-CE2 3.86Å; F373-F385 AromaticContact CZ-CZ 3.99Å; F373-F385 HydrophobicContact CZ-CZ 3.99Å; F373-F385 PolarHBondContact N-O 3.14Å; F373-F385 VanDerWaalsContact N-O 3.08Å; F373-L387 HydrophobicContact CE2-CD1 3.85Å; F373-L387 HydrophobicContact CE2-CD2 4.31Å; F373-L387 HydrophobicContact CE2-CG 3.91Å; F373-L387 HydrophobicContact CZ-CD1 4.46Å; F373-F398 HydrophobicContact CE1-CE1 4.33Å; F373-F398 AromaticContact CE1-CZ 3.82Å; F373-F398 HydrophobicContact CE1-CZ 3.82Å; F373-F398 HydrophobicContact CZ-CE1 4.4Å; F373-F398 AromaticContact CZ-CZ 3.95Å; F373-F398 HydrophobicContact CZ-CZ 3.95Å; F373-I406 HydrophobicContact CE2-CD1 4.44Å; F373-I406 HydrophobicContact CZ-CD1 3.74Å
374	Y	75.5	Confident	62.8	Low	1 Å²	1	46.1 Å²	46.1	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.5	178.1	-70.4	-40.2	0	0	0	111	F320 K348 V350 V372 P382 Q383 L794	F320-Y374 HydrophobicContact CB-CD2 3.75Å; F320-Y374 HydrophobicContact CB-CE2 3.63Å; F320-Y374 HydrophobicContact CB-CG 4.41Å; F320-Y374 AromaticContact CD1-CD1 3.94Å; F320-Y374 HydrophobicContact CD1-CD1 3.94Å; F320-Y374 AromaticContact CD1-CD2 3.72Å; F320-Y374 HydrophobicContact CD1-CD2 3.72Å; F320-Y374 HydrophobicContact CD1-CE1 4.48Å; F320-Y374 HydrophobicContact CD1-CE2 4.31Å; F320-Y374 AromaticContact CD1-CG 3.55Å; F320-Y374 HydrophobicContact CD1-CG 3.55Å; F320-Y374 HydrophobicContact CE1-CG 4.12Å; F320-Y374 AromaticContact CG-CD2 3.77Å; F320-Y374 HydrophobicContact CG-CD2 3.77Å; F320-Y374 HydrophobicContact CG-CE2 4.18Å; F320-Y374 HydrophobicContact CG-CG 4.11Å; K348-Y374 VanDerWaalsContact CB-O 3.29Å; K348-Y374 WeakPolarHBondContact CB-O 3.38Å; K348-Y374 PolarHBondContact N-O 2.98Å; K348-Y374 PolarHBondContact O-N 3.15Å; V350-Y374 HydrophobicContact CB-CD2 3.45Å; V350-Y374 VanDerWaalsContact CB-CD2 3.45Å; V350-Y374 HydrophobicContact CB-CE2 3.88Å; V350-Y374 HydrophobicContact CB-CG 4.3Å; V350-Y374 HydrophobicContact CG1-CD2 3.62Å; V350-Y374 HydrophobicContact CG1-CE2 3.59Å; V350-Y374 HydrophobicContact CG2-CD2 3.73Å; V350-Y374 HydrophobicContact CG2-CG 4.44Å; V372-Y374 HydrophobicContact CG1-CD1 3.96Å; V372-Y374 HydrophobicContact CG1-CE1 3.65Å; Y374-P382 CarbonylContact C-O 2.96Å; Y374-P382 VanDerWaalsContact CA-O 3.23Å; Y374-P382 WeakPolarHBondContact CA-O 3.42Å; Y374-P382 HydrophobicContact CD1-CB 4.09Å; Y374-P382 HydrophobicContact CD1-CG 4.27Å; Y374-P382 HydrophobicContact CE1-CG 4.46Å; Y374-Q383 HydrophobicContact CD1-CG 4.03Å; Y374-Q383 HydrophobicContact CE1-CG 3.67Å; Y374-L794 HydrophobicContact CD2-CD2 4.37Å
375	S	70.3	Confident	64.5	Low	6 Å²	6	39.9 Å²	39.9	4%	0.042	26%	0.256	C	S	.	.			trans	-83.4	160.5	161.2	-176.5	0	0	0	0	109.9	F320 H346 S377 P382	F320-S375 WeakPolarHBondContact CE1-O 3.38Å; H346-S375 VanDerWaalsContact CB-OG 3.26Å; H346-S375 WeakPolarHBondContact CB-OG 3.44Å; H346-S375 PolarHBondContact CE1-OG 3.16Å; S375-S377 WeakPolarHBondContact OG-CB 3.22Å; S375-S377 PolarHBondContact OG-N 2.88Å; S375-S377 PolarHBondContact OG-OG 3.2Å; S375-P382 PolarHBondContact N-O 3.18Å
376	F	68.7	Low	66.3	Low	23 Å²	23	35.3 Å²	35.3	10%	0.101	22%	0.218	C	C	.	.	S	Bend	trans	-99.2	1.1	164.3	-31.5	-147	0	0	0	111	H317 W336 H346 K348 D378	H317-F376 AromaticContact CE1-CD1 3.88Å; W336-F376 HydrophobicContact CZ3-CZ 4.42Å; H346-F376 HydrophobicContact CB-CB 4.48Å; H346-F376 HydrophobicContact CB-CD2 3.79Å; H346-F376 WeakPolarHBondContact CD2-CB 3.38Å; H346-F376 AromaticContact CD2-CD2 3.34Å; H346-F376 WeakPolarHBondContact CD2-CD2 3.38Å; H346-F376 AromaticContact CD2-CG 3.52Å; H346-F376 VanDerWaalsContact CE1-C 3.41Å; H346-F376 AromaticContact CG-CD2 3.68Å; H346-F376 VanDerWaalsContact ND1-C 3.32Å; K348-F376 HydrophobicContact CD-CE2 4.22Å; K348-F376 HydrophobicContact CD-CZ 4.45Å; K348-F376 HydrophobicContact CG-CD2 4.4Å; K348-F376 HydrophobicContact CG-CE2 3.86Å; K348-F376 HydrophobicContact CG-CZ 4.48Å; F376-D378 PolarHBondContact O-N 3Å
377	S	64.1	Low	67.6	Low	41 Å²	41	31.3 Å²	31.3	29%	0.287	19%	0.19	S	C	.	.	S	Bend	trans	-66.1	-41.8	-171.6	-69.3	0	0	0	0	112.2	Q345 H346 S375	Q345-S377 PolarHBondContact OE1-OG 2.78Å; H346-S377 WeakPolarHBondContact CE1-CA 3.28Å; H346-S377 WeakPolarHBondContact CE1-CB 3.4Å; H346-S377 PolarHBondContact CE1-N 3.14Å; H346-S377 CovalentContact CE1-OG 1.81Å; H346-S377 PolarHBondContact CE1-OG 3.35Å; H346-S377 WeakPolarHBondContact ND1-CA 3.42Å; H346-S377 PolarHBondContact ND1-N 3.22Å; H346-S377 PolarHBondContact ND1-OG 3.17Å; H346-S377 VanDerWaalsContact NE2-CA 3.29Å; H346-S377 WeakPolarHBondContact NE2-CA 3.28Å; S375-S377 WeakPolarHBondContact OG-CB 3.22Å; S375-S377 PolarHBondContact OG-N 2.88Å; S375-S377 PolarHBondContact OG-OG 3.2Å
378	D	62.2	Low	68.7	Low	58 Å²	58	31.7 Å²	31.7	31%	0.31	19%	0.187	S	C	.	.			trans	-119.9	104.5	178.6	-179.3	9.1	0	0	0	108.7	F376 S380 N381 P382	F376-D378 PolarHBondContact O-N 3Å; D378-S380 VanDerWaalsContact CG-OG 3.23Å; D378-S380 PolarHBondContact O-N 2.87Å; D378-S380 WeakPolarHBondContact OD1-CA 3.37Å; D378-S380 VanDerWaalsContact OD1-CB 3.27Å; D378-S380 WeakPolarHBondContact OD1-CB 3.39Å; D378-S380 PolarHBondContact OD1-N 3.43Å; D378-S380 PolarHBondContact OD1-OG 3.45Å; D378-S380 PolarHBondContact OD2-OG 2.84Å; D378-S380 VanDerWaalsContact OD2-OG 3.06Å; D378-N381 CarbonylContact O-C 3.54Å; D378-N381 PolarHBondContact OD1-N 3.2Å; D378-N381 WeakPolarHBondContact OD2-CA 3.24Å; D378-N381 VanDerWaalsContact OD2-CB 3.29Å; D378-N381 WeakPolarHBondContact OD2-CB 3.42Å; D378-N381 PolarHBondContact OD2-N 2.93Å; D378-N381 PolarHBondContact OD2-ND2 2.87Å; D378-N381 VanDerWaalsContact OD2-ND2 3.15Å; D378-P382 VanDerWaalsContact O-CA 3.23Å; D378-P382 WeakPolarHBondContact O-CA 3.38Å; D378-P382 VanDerWaalsContact O-N 3.09Å
379	P	61.3	Low	69.5	Low	103 Å²	103	28.7 Å²	28.7	67%	0.669	17%	0.168	S	C	*	.	S	Bend	trans	-62.9	-16.4	171.2	-24.2	35.3	0	0	0	114.1
380	S	58.9	Low	69.9	Low	89 Å²	89	30.4 Å²	30.4	62%	0.622	18%	0.178	S	C	*	.	S	Bend	trans	-87.8	-41.4	179.4	77.6	0	0	0	0	113.1	D378	D378-S380 VanDerWaalsContact CG-OG 3.23Å; D378-S380 PolarHBondContact O-N 2.87Å; D378-S380 WeakPolarHBondContact OD1-CA 3.37Å; D378-S380 VanDerWaalsContact OD1-CB 3.27Å; D378-S380 WeakPolarHBondContact OD1-CB 3.39Å; D378-S380 PolarHBondContact OD1-N 3.43Å; D378-S380 PolarHBondContact OD1-OG 3.45Å; D378-S380 PolarHBondContact OD2-OG 2.84Å; D378-S380 VanDerWaalsContact OD2-OG 3.06Å
381	N	58.1	Low	70.2	Confident	97 Å²	97	32.9 Å²	32.9	52%	0.519	19%	0.192	S	C	.	.			trans	-125.9	76.6	169.6	-52.9	-87.4	0	0	0	110.2	D378 Q383	D378-N381 CarbonylContact O-C 3.54Å; D378-N381 PolarHBondContact OD1-N 3.2Å; D378-N381 WeakPolarHBondContact OD2-CA 3.24Å; D378-N381 VanDerWaalsContact OD2-CB 3.29Å; D378-N381 WeakPolarHBondContact OD2-CB 3.42Å; D378-N381 PolarHBondContact OD2-N 2.93Å; D378-N381 PolarHBondContact OD2-ND2 2.87Å; D378-N381 VanDerWaalsContact OD2-ND2 3.15Å; N381-Q383 PolarHBondContact O-N 2.98Å
382	P	56.4	Low	70.4	Confident	21 Å²	21	34.5 Å²	34.5	14%	0.136	20%	0.201	C	C	.	.			trans	-66.5	-5.8	-179.5	26	-35	0	0	0	113.8	F320 Y374 S375 D378	F320-P382 HydrophobicContact CD1-CB 3.76Å; F320-P382 HydrophobicContact CD1-CG 4.09Å; F320-P382 HydrophobicContact CE1-CB 3.63Å; F320-P382 HydrophobicContact CE1-CG 4.4Å; Y374-P382 CarbonylContact C-O 2.96Å; Y374-P382 VanDerWaalsContact CA-O 3.23Å; Y374-P382 WeakPolarHBondContact CA-O 3.42Å; Y374-P382 HydrophobicContact CD1-CB 4.09Å; Y374-P382 HydrophobicContact CD1-CG 4.27Å; Y374-P382 HydrophobicContact CE1-CG 4.46Å; S375-P382 PolarHBondContact N-O 3.18Å; D378-P382 VanDerWaalsContact O-CA 3.23Å; D378-P382 WeakPolarHBondContact O-CA 3.38Å; D378-P382 VanDerWaalsContact O-N 3.09Å
383	Q	62.5	Low	70.8	Confident	24 Å²	24	34.5 Å²	34.5	11%	0.112	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	106.4	-173.7	-64.5	163.2	31.2	0	0	110.8	D322 F325 V372 Y374 N381 I458	D322-Q383 PolarHBondContact OD1-NE2 2.95Å; D322-Q383 PolarHBondContact OD2-NE2 3.17Å; F325-Q383 VanDerWaalsContact CD2-OE1 3.25Å; F325-Q383 VanDerWaalsContact CE2-OE1 3.23Å; V372-Q383 HydrophobicContact CG1-CG 3.94Å; Y374-Q383 HydrophobicContact CD1-CG 4.03Å; Y374-Q383 HydrophobicContact CE1-CG 3.67Å; N381-Q383 PolarHBondContact O-N 2.98Å; Q383-I458 HydrophobicContact CB-CD1 3.91Å
384	Q	62	Low	71.1	Confident	35 Å²	35	36.9 Å²	36.9	16%	0.164	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-34.7	-177.8	-166.6	161.9	-5.2	0	0	112.8	F347 F373 Y426 P459	F347-Q384 VanDerWaalsContact CE1-OE1 3.3Å; F373-Q384 PolarHBondContact O-N 2.94Å; Q384-Y426 PolarHBondContact NE2-O 3.34Å; Q384-P459 WeakPolarHBondContact O-CG 3.46Å
385	F	68.7	Low	71.6	Confident	6 Å²	6	37 Å²	37	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	166.6	172.4	60.6	-84	0	0	0	112.4	F347 F373 L387 L420 I427 P459 V461	F347-F385 HydrophobicContact CD1-CE1 4.42Å; F347-F385 HydrophobicContact CE1-CE1 4.05Å; F373-F385 HydrophobicContact CB-CD1 3.83Å; F373-F385 HydrophobicContact CB-CD2 4.2Å; F373-F385 HydrophobicContact CB-CE1 3.65Å; F373-F385 HydrophobicContact CB-CE2 4.05Å; F373-F385 HydrophobicContact CB-CG 4.1Å; F373-F385 HydrophobicContact CB-CZ 3.79Å; F373-F385 AromaticContact CD1-CE1 3.76Å; F373-F385 HydrophobicContact CD1-CE1 3.76Å; F373-F385 AromaticContact CD1-CE2 3.75Å; F373-F385 HydrophobicContact CD1-CE2 3.75Å; F373-F385 AromaticContact CD1-CZ 3.21Å; F373-F385 HydrophobicContact CD1-CZ 3.21Å; F373-F385 AromaticContact CD2-CD2 3.69Å; F373-F385 HydrophobicContact CD2-CD2 3.69Å; F373-F385 HydrophobicContact CD2-CE1 4.38Å; F373-F385 AromaticContact CD2-CE2 3.24Å; F373-F385 HydrophobicContact CD2-CE2 3.24Å; F373-F385 HydrophobicContact CD2-CG 4.43Å; F373-F385 AromaticContact CD2-CZ 3.66Å; F373-F385 HydrophobicContact CD2-CZ 3.66Å; F373-F385 AromaticContact CE1-CE2 3.96Å; F373-F385 HydrophobicContact CE1-CE2 3.96Å; F373-F385 AromaticContact CE1-CZ 3.58Å; F373-F385 HydrophobicContact CE1-CZ 3.58Å; F373-F385 HydrophobicContact CE2-CD2 4.27Å; F373-F385 AromaticContact CE2-CE2 3.52Å; F373-F385 HydrophobicContact CE2-CE2 3.52Å; F373-F385 HydrophobicContact CE2-CZ 4.02Å; F373-F385 HydrophobicContact CG-CD1 4.2Å; F373-F385 AromaticContact CG-CD2 3.94Å; F373-F385 HydrophobicContact CG-CD2 3.94Å; F373-F385 AromaticContact CG-CE1 3.67Å; F373-F385 HydrophobicContact CG-CE1 3.67Å; F373-F385 AromaticContact CG-CE2 3.38Å; F373-F385 HydrophobicContact CG-CE2 3.38Å; F373-F385 HydrophobicContact CG-CG 4.32Å; F373-F385 AromaticContact CG-CZ 3.24Å; F373-F385 HydrophobicContact CG-CZ 3.24Å; F373-F385 AromaticContact CZ-CE2 3.86Å; F373-F385 HydrophobicContact CZ-CE2 3.86Å; F373-F385 AromaticContact CZ-CZ 3.99Å; F373-F385 HydrophobicContact CZ-CZ 3.99Å; F373-F385 PolarHBondContact N-O 3.14Å; F373-F385 VanDerWaalsContact N-O 3.08Å; F385-L387 HydrophobicContact CD2-CD2 4.03Å; F385-L387 HydrophobicContact CE2-CD2 4.03Å; F385-L420 HydrophobicContact CD2-CD2 4.45Å; F385-L420 HydrophobicContact CE2-CD1 4.14Å; F385-L420 HydrophobicContact CE2-CD2 3.67Å; F385-L420 HydrophobicContact CZ-CD1 4Å; F385-L420 HydrophobicContact CZ-CD2 4.28Å; F385-I427 HydrophobicContact CD1-CG1 4.38Å; F385-I427 HydrophobicContact CE1-CD1 3.88Å; F385-I427 HydrophobicContact CE1-CG1 3.71Å; F385-I427 HydrophobicContact CZ-CD1 3.93Å; F385-I427 HydrophobicContact CZ-CG1 4.29Å; F385-P459 WeakPolarHBondContact CA-O 3.49Å; F385-P459 HydrophobicContact CB-CG 3.99Å; F385-V461 HydrophobicContact CD2-CG2 4.19Å
386	L	74.8	Confident	72.5	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.4	-178.6	-57.2	168.3	0	0	0	109.6	F325 L370 I371 V372 I458 P459 I460 V461	F325-L386 HydrophobicContact CE1-CD1 4.15Å; F325-L386 HydrophobicContact CE2-CD1 4.19Å; F325-L386 HydrophobicContact CZ-CD1 3.83Å; L370-L386 HydrophobicContact CD1-CD1 4.37Å; L370-L386 HydrophobicContact CD2-CB 4.48Å; I371-L386 CarbonylContact O-C 3.46Å; I371-L386 WeakPolarHBondContact O-CA 3.44Å; V372-L386 HydrophobicContact CB-CD2 4.23Å; V372-L386 HydrophobicContact CG1-CD2 4.08Å; V372-L386 HydrophobicContact CG2-CD2 3.62Å; L386-I458 HydrophobicContact CD1-CB 4.28Å; L386-I458 HydrophobicContact CD1-CG2 4.02Å; L386-I458 HydrophobicContact CG-CG2 3.86Å; L386-P459 PolarHBondContact N-O 2.71Å; L386-I460 HydrophobicContact CB-CG1 4.18Å; L386-I460 HydrophobicContact CD1-CG1 4.02Å; L386-I460 CarbonylContact O-C 3.49Å; L386-I460 WeakPolarHBondContact O-CA 3.4Å; L386-V461 PolarHBondContact O-N 2.9Å
387	L	78.6	Confident	73.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.8	169	-48	-176.8	0	0	0	110.6	L370 I371 F373 F385 C389 I406 W418 L420 V461	L370-L387 WeakPolarHBondContact CA-O 3.39Å; L370-L387 WeakPolarHBondContact CD2-O 3.16Å; I371-L387 HydrophobicContact CB-CB 3.99Å; I371-L387 HydrophobicContact CB-CD1 4.02Å; I371-L387 HydrophobicContact CB-CG 4.04Å; I371-L387 HydrophobicContact CD1-CD1 3.89Å; I371-L387 HydrophobicContact CG2-CD1 4.16Å; I371-L387 HydrophobicContact CG2-CG 4.4Å; I371-L387 PolarHBondContact N-O 3.12Å; I371-L387 PolarHBondContact O-N 2.92Å; F373-L387 HydrophobicContact CE2-CD1 3.85Å; F373-L387 HydrophobicContact CE2-CD2 4.31Å; F373-L387 HydrophobicContact CE2-CG 3.91Å; F373-L387 HydrophobicContact CZ-CD1 4.46Å; F385-L387 HydrophobicContact CD2-CD2 4.03Å; F385-L387 HydrophobicContact CE2-CD2 4.03Å; L387-C389 PolarHBondContact O-SG 3.11Å; L387-I406 HydrophobicContact CD1-CD1 3.86Å; L387-W418 HydrophobicContact CD1-CB 4.49Å; L387-W418 HydrophobicContact CD1-CD2 4.04Å; L387-W418 HydrophobicContact CD1-CG 3.99Å; L387-L420 HydrophobicContact CD2-CD2 3.87Å; L387-V461 CarbonylContact C-O 3.38Å; L387-V461 WeakPolarHBondContact CA-O 3.47Å; L387-V461 HydrophobicContact CD2-CB 3.73Å; L387-V461 HydrophobicContact CD2-CG1 4.33Å; L387-V461 HydrophobicContact CD2-CG2 4.14Å
388	E	80.8	Confident	74.2	Confident	54 Å²	54	37.3 Å²	37.3	25%	0.252	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.1	171.1	-166	171.8	159.7	0	0	110	W418 I460 V461 R462	E388-W418 PolarHBondContact O-NE1 3.23Å; E388-I460 HydrophobicContact CB-CG2 3.8Å; E388-V461 PolarHBondContact N-O 3.02Å; E388-R462 HydrophobicContact CB-CG 4.15Å; E388-R462 IonicContact OE1-CZ 2.75Å; E388-R462 IonicContact OE1-NE 3.31Å; E388-R462 IonicContact OE1-NH2 3.43Å; E388-R462 PolarHBondContact OE1-NH2 3.28Å; E388-R462 WeakPolarHBondContact OE2-CG 3.05Å; E388-R462 IonicContact OE2-CZ 3.62Å; E388-R462 IonicContact OE2-NE 3.5Å; E388-R462 PolarHBondContact OE2-NE 3Å; E388-R462 IonicContact OE2-NH2 3.65Å; E388-R462 PolarHBondContact OE2-NH2 2.94Å; E388-R462 VanDerWaalsContact OE2-NH2 3.11Å
389	C	80.7	Confident	75.2	Confident	6 Å²	6	34.6 Å²	34.6	4%	0.041	20%	0.196	C	C	.	.			trans	-125.1	138.2	-179.4	-53.4	0	0	0	0	108.4	P369 L387 I393	P369-C389 HydrophobicContact CB-CB 4.15Å; P369-C389 HydrophobicContact CG-CB 4.02Å; P369-C389 WeakPolarHBondContact O-CB 3.46Å; P369-C389 PolarHBondContact O-N 3.33Å; L387-C389 PolarHBondContact O-SG 3.11Å; C389-I393 HydrophobicContact CB-CD1 3.9Å; C389-I393 HydrophobicContact CB-CG1 4.36Å; C389-I393 WeakPolarHBondContact SG-CD1 3.45Å
390	P	78.9	Confident	76.1	Confident	59 Å²	59	33.1 Å²	33.1	38%	0.383	19%	0.186	S	C	.	.	S	Bend	trans	-75.6	-28.4	178.9	31.2	-33.2	0	0	0	112.6	L416 F463	P390-L416 HydrophobicContact CG-CD1 4.03Å; P390-L416 HydrophobicContact CG-CD2 3.88Å; P390-F463 HydrophobicContact CB-CE1 4.13Å; P390-F463 HydrophobicContact CB-CZ 4.44Å; P390-F463 HydrophobicContact CG-CD1 4.47Å; P390-F463 HydrophobicContact CG-CE1 4.07Å; P390-F463 HydrophobicContact CG-CZ 4.49Å
391	D	81	Confident	77.1	Confident	64 Å²	64	30 Å²	30	34%	0.342	17%	0.165	S	C	.	.	S	Bend	trans	-145.8	165.5	-177.8	-107.3	-48.1	0	0	0	109.5	P369 I393 C410 I411 N412	P369-D391 VanDerWaalsContact CG-C 3.49Å; P369-D391 WeakPolarHBondContact CG-O 3.29Å; D391-I393 PolarHBondContact O-N 2.91Å; D391-C410 HydrophobicContact CB-CB 4.43Å; D391-I411 HydrophobicContact CB-CG2 4.49Å; D391-N412 PolarHBondContact OD2-ND2 2.92Å
392	D	82.6	Confident	78.1	Confident	35 Å²	35	25.8 Å²	25.8	19%	0.187	14%	0.142	C	C	.	.			trans	-60.9	128.9	176.1	-90.4	-39.9	0	0	0	111.4	L353 F354 C410 I411	L353-D392 HydrophobicContact CD2-CB 3.76Å; L353-D392 HydrophobicContact CG-CB 4.32Å; L353-D392 VanDerWaalsContact CG-OD1 3.29Å; L353-D392 WeakPolarHBondContact CG-OD1 3.25Å; F354-D392 VanDerWaalsContact CB-OD1 3.25Å; F354-D392 WeakPolarHBondContact CB-OD1 3.33Å; F354-D392 WeakPolarHBondContact CB-OD2 3.39Å; F354-D392 PolarHBondContact N-OD1 3.17Å; D392-C410 CarbonylContact O-C 3.55Å; D392-C410 WeakPolarHBondContact O-CA 3.23Å; D392-I411 HydrophobicContact CB-CB 4.27Å; D392-I411 HydrophobicContact CB-CG2 3.88Å; D392-I411 WeakPolarHBondContact O-CB 3.29Å; D392-I411 WeakPolarHBondContact O-CG2 3.42Å; D392-I411 PolarHBondContact O-N 2.98Å
393	I	83.4	Confident	79	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.8	-178.8	-61.4	168.6	0	0	0	109.5	S332 K351 L353 I371 C389 D391 A395 G409 L416 W418	S332-I393 PolarHBondContact OG-O 3.38Å; K351-I393 HydrophobicContact CD-CG2 4.42Å; K351-I393 WeakPolarHBondContact CE-O 3.46Å; K351-I393 VanDerWaalsContact NZ-C 3.25Å; K351-I393 PolarHBondContact NZ-O 3.43Å; L353-I393 HydrophobicContact CD1-CB 4.14Å; L353-I393 WeakPolarHBondContact CD1-O 3.32Å; L353-I393 WeakPolarHBondContact CD2-O 3.45Å; I371-I393 HydrophobicContact CD1-CD1 3.72Å; I371-I393 HydrophobicContact CG1-CD1 4.18Å; C389-I393 HydrophobicContact CB-CD1 3.9Å; C389-I393 HydrophobicContact CB-CG1 4.36Å; C389-I393 WeakPolarHBondContact SG-CD1 3.45Å; D391-I393 PolarHBondContact O-N 2.91Å; I393-A395 WeakPolarHBondContact CG2-O 3.4Å; I393-G409 CarbonylContact C-O 3.55Å; I393-G409 WeakPolarHBondContact CA-O 3.31Å; I393-G409 VanDerWaalsContact CG2-O 3.23Å; I393-G409 WeakPolarHBondContact CG2-O 3.33Å; I393-L416 HydrophobicContact CD1-CD1 4.13Å; I393-L416 HydrophobicContact CG1-CD1 4.26Å; I393-W418 HydrophobicContact CD1-CH2 3.41Å; I393-W418 VanDerWaalsContact CD1-CH2 3.41Å; I393-W418 HydrophobicContact CD1-CZ2 3.7Å
394	L	83.2	Confident	79.9	Confident	51 Å²	51	24.7 Å²	24.7	27%	0.267	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-38.5	174.3	-64.3	-166.7	0	0	0	114	S332 C333 K351 L353 G409 P476 V477	S332-L394 PolarHBondContact OG-O 3.39Å; S332-L394 VanDerWaalsContact OG-O 3.08Å; C333-L394 PolarHBondContact SG-O 3.12Å; K351-L394 PolarHBondContact NZ-O 1.81Å; L353-L394 HydrophobicContact CD2-CD2 4.13Å; L394-G409 PolarHBondContact N-O 2.8Å; L394-P476 HydrophobicContact CD1-CB 3.42Å; L394-P476 VanDerWaalsContact CD1-CB 3.42Å; L394-P476 HydrophobicContact CD1-CG 4.4Å; L394-P476 HydrophobicContact CG-CB 4.34Å; L394-V477 WeakPolarHBondContact CB-O 3.46Å
395	A	86	Confident	81	Confident	4 Å²	4	23.1 Å²	23.1	3%	0.033	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152	176.7	0	0	0	0	0	112.7	I393 G408 G409 V480	I393-A395 WeakPolarHBondContact CG2-O 3.4Å; A395-G408 CarbonylContact O-C 3.59Å; A395-G408 WeakPolarHBondContact O-CA 3.2Å; A395-G409 PolarHBondContact O-N 3.14Å; A395-V480 HydrophobicContact CB-CB 4.35Å; A395-V480 HydrophobicContact CB-CG2 4Å
396	F	88.9	Confident	81.8	Confident	8 Å²	8	22.9 Å²	22.9	4%	0.035	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.1	172	80.9	-71.8	0	0	0	111.5	N335 A349 K351 F398 I406 V407	N335-F396 HydrophobicContact CB-CE1 4.45Å; N335-F396 HydrophobicContact CB-CE2 3.94Å; N335-F396 HydrophobicContact CB-CZ 3.75Å; N335-F396 WeakPolarHBondContact ND2-CD1 3.5Å; N335-F396 WeakPolarHBondContact ND2-CE1 3.46Å; N335-F396 VanDerWaalsContact ND2-CE2 3.33Å; N335-F396 WeakPolarHBondContact ND2-CE2 3.22Å; N335-F396 WeakPolarHBondContact ND2-CZ 3.35Å; N335-F396 PolarHBondContact ND2-O 3.45Å; A349-F396 HydrophobicContact CB-CE2 3.97Å; A349-F396 HydrophobicContact CB-CZ 4.1Å; K351-F396 HydrophobicContact CB-CD1 4.13Å; K351-F396 HydrophobicContact CB-CE1 3.5Å; K351-F396 VanDerWaalsContact CB-CE1 3.5Å; K351-F396 HydrophobicContact CB-CZ 3.96Å; K351-F396 HydrophobicContact CD-CD1 3.43Å; K351-F396 VanDerWaalsContact CD-CD1 3.43Å; K351-F396 HydrophobicContact CD-CE1 3.66Å; K351-F396 HydrophobicContact CD-CG 4.3Å; K351-F396 HydrophobicContact CG-CD1 4.46Å; K351-F396 HydrophobicContact CG-CE1 4.28Å; F396-F398 HydrophobicContact CE2-CE2 4.27Å; F396-I406 HydrophobicContact CD2-CG2 3.96Å; F396-V407 CarbonylContact C-O 3.54Å; F396-V407 WeakPolarHBondContact CA-O 3.46Å; F396-V407 VanDerWaalsContact CB-O 3.32Å; F396-V407 WeakPolarHBondContact CB-O 3.41Å
397	Q	85.8	Confident	82.6	Confident	57 Å²	57	22.8 Å²	22.8	27%	0.266	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	144.8	174.8	-157	-170.4	17	0	0	112.5	V407 Q481 W482	Q397-V407 PolarHBondContact N-O 3.03Å; Q397-V407 PolarHBondContact O-N 3.49Å; Q397-Q481 VanDerWaalsContact OE1-CA 3.28Å; Q397-W482 PolarHBondContact O-NE1 3.21Å
398	F	84.3	Confident	83.1	Confident	10 Å²	10	22.8 Å²	22.8	4%	0.044	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	145.1	166.6	-67.5	-79.3	0	0	0	111.9	N335 H337 P338 A349 F373 F396 P403 I406 W482	N335-F398 HydrophobicContact CB-CD2 4.1Å; N335-F398 HydrophobicContact CB-CE2 3.88Å; H337-F398 AromaticContact CD2-CE1 3.81Å; P338-F398 HydrophobicContact CG-CB 3.99Å; P338-F398 HydrophobicContact CG-CG 4.35Å; A349-F398 HydrophobicContact CB-CE2 3.47Å; A349-F398 VanDerWaalsContact CB-CE2 3.47Å; A349-F398 HydrophobicContact CB-CZ 3.43Å; A349-F398 VanDerWaalsContact CB-CZ 3.43Å; F373-F398 HydrophobicContact CE1-CE1 4.33Å; F373-F398 AromaticContact CE1-CZ 3.82Å; F373-F398 HydrophobicContact CE1-CZ 3.82Å; F373-F398 HydrophobicContact CZ-CE1 4.4Å; F373-F398 AromaticContact CZ-CZ 3.95Å; F373-F398 HydrophobicContact CZ-CZ 3.95Å; F396-F398 HydrophobicContact CE2-CE2 4.27Å; F398-P403 VanDerWaalsContact CD1-O 3.26Å; F398-P403 WeakPolarHBondContact CD1-O 3.24Å; F398-I406 HydrophobicContact CD1-CD1 4.3Å; F398-I406 HydrophobicContact CD1-CG1 3.65Å; F398-I406 HydrophobicContact CE1-CD1 3.62Å; F398-I406 HydrophobicContact CE1-CG1 3.5Å; F398-I406 HydrophobicContact CZ-CD1 4.14Å; F398-I406 HydrophobicContact CZ-CG1 4.28Å; F398-W482 VanDerWaalsContact C-NE1 3.34Å; F398-W482 PolarHBondContact O-NE1 3.07Å
399	S	83.1	Confident	83.6	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.007	12%	0.115	C	C	.	.			trans	-64.9	129.4	167.2	168	0	0	0	0	110.3	S401 N402 I405 Y620	S399-S401 PolarHBondContact O-N 3.34Å; S399-S401 PolarHBondContact OG-N 3.5Å; S399-N402 WeakPolarHBondContact CB-O 3.46Å; S399-N402 PolarHBondContact OG-N 3.5Å; S399-I405 PolarHBondContact N-O 3Å; S399-Y620 PolarHBondContact OG-OH 3.08Å
400	P	80	Confident	83.9	Confident	72 Å²	72	19.9 Å²	19.9	47%	0.468	11%	0.113	S	C	.	.	S	Bend	trans	-61.7	-17.7	173.9	-24.8	34.6	0	0	0	114.8	W482	P400-W482 HydrophobicContact CG-CB 4.12Å
401	S	79.7	Confident	84.4	Confident	25 Å²	25	20.2 Å²	20.2	18%	0.175	11%	0.111	C	C	.	.	S	Bend	trans	-105.1	-22.6	-176.6	-59.4	0	0	0	0	114.4	S399 S503	S399-S401 PolarHBondContact O-N 3.34Å; S399-S401 PolarHBondContact OG-N 3.5Å; S401-S503 PolarHBondContact OG-N 3.5Å
402	N	79.4	Confident	84.7	Confident	8 Å²	8	19.3 Å²	19.3	4%	0.043	11%	0.106	C	C	.	.			trans	-146	100.5	176	-175.3	-18.8	0	0	0	109.3	S399 N404 I405 P618 Y620	S399-N402 WeakPolarHBondContact CB-O 3.46Å; S399-N402 PolarHBondContact OG-N 3.5Å; N402-N404 PolarHBondContact O-N 2.88Å; N402-N404 VanDerWaalsContact OD1-CB 3.3Å; N402-N404 WeakPolarHBondContact OD1-CB 3.5Å; N402-N404 PolarHBondContact OD1-N 3.38Å; N402-N404 VanDerWaalsContact OD1-N 3.09Å; N402-I405 HydrophobicContact CB-CD1 4.12Å; N402-I405 PolarHBondContact O-N 3.5Å; N402-P618 HydrophobicContact CB-CG 4.36Å; N402-P618 PolarHBondContact ND2-O 3.06Å; N402-Y620 HydrophobicContact CB-CD2 4.42Å; N402-Y620 HydrophobicContact CB-CE2 3.67Å
403	P	74.3	Confident	85.1	Confident	4 Å²	4	17.6 Å²	17.6	3%	0.026	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.7	-177.7	-21.8	30.8	0	0	0	114.6	H337 P338 T339 F398 I405 F617	H337-P403 WeakPolarHBondContact NE2-CB 3.03Å; P338-P403 HydrophobicContact CG-CB 3.94Å; P338-P403 HydrophobicContact CG-CG 4.1Å; T339-P403 HydrophobicContact CG2-CG 3.39Å; T339-P403 WeakPolarHBondContact OG1-CG 3.49Å; F398-P403 VanDerWaalsContact CD1-O 3.26Å; F398-P403 WeakPolarHBondContact CD1-O 3.24Å; P403-I405 PolarHBondContact O-N 2.91Å; P403-F617 HydrophobicContact CG-CE1 4.21Å
404	N	81.2	Confident	85.5	Confident	18 Å²	18	19 Å²	19	10%	0.096	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.5	177.6	-55.2	-20.2	0	0	0	112	N402 L420 S421 V424	N402-N404 PolarHBondContact O-N 2.88Å; N402-N404 VanDerWaalsContact OD1-CB 3.3Å; N402-N404 WeakPolarHBondContact OD1-CB 3.5Å; N402-N404 PolarHBondContact OD1-N 3.38Å; N402-N404 VanDerWaalsContact OD1-N 3.09Å; N404-L420 HydrophobicContact CB-CB 4.14Å; N404-L420 WeakPolarHBondContact O-CB 3.12Å; N404-L420 WeakPolarHBondContact O-CG 3.33Å; N404-L420 PolarHBondContact O-N 3.39Å; N404-S421 PolarHBondContact ND2-OG 3.35Å; N404-V424 WeakPolarHBondContact OD1-CG2 3.23Å
405	I	85.1	Confident	85.9	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.7	-176.5	-63.3	165.9	0	0	0	110.1	S399 N402 P403 L417 W418 W482 F552 Y620	S399-I405 PolarHBondContact N-O 3Å; N402-I405 HydrophobicContact CB-CD1 4.12Å; N402-I405 PolarHBondContact O-N 3.5Å; P403-I405 PolarHBondContact O-N 2.91Å; I405-L417 HydrophobicContact CG2-CD2 4.42Å; I405-W418 WeakPolarHBondContact CA-O 3.45Å; I405-W482 HydrophobicContact CG2-CH2 4.01Å; I405-W482 HydrophobicContact CG2-CZ2 3.96Å; I405-F552 HydrophobicContact CD1-CE2 4.02Å; I405-F552 HydrophobicContact CD1-CZ 3.8Å; I405-F552 HydrophobicContact CG1-CE2 4.14Å; I405-F552 HydrophobicContact CG1-CZ 4.41Å; I405-F552 HydrophobicContact CG2-CE2 4.24Å; I405-Y620 HydrophobicContact CD1-CD1 3.96Å; I405-Y620 HydrophobicContact CD1-CD2 3.26Å; I405-Y620 HydrophobicContact CD1-CE1 4.12Å; I405-Y620 HydrophobicContact CD1-CE2 3.45Å; I405-Y620 VanDerWaalsContact CD1-CE2 3.45Å; I405-Y620 HydrophobicContact CD1-CG 3.52Å
406	I	86.6	Confident	86.2	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.8	178.2	-60.2	166.2	0	0	0	108.7	F373 L387 F396 F398 L417 W418 L420	F373-I406 HydrophobicContact CE2-CD1 4.44Å; F373-I406 HydrophobicContact CZ-CD1 3.74Å; L387-I406 HydrophobicContact CD1-CD1 3.86Å; F396-I406 HydrophobicContact CD2-CG2 3.96Å; F398-I406 HydrophobicContact CD1-CD1 4.3Å; F398-I406 HydrophobicContact CD1-CG1 3.65Å; F398-I406 HydrophobicContact CE1-CD1 3.62Å; F398-I406 HydrophobicContact CE1-CG1 3.5Å; F398-I406 HydrophobicContact CZ-CD1 4.14Å; F398-I406 HydrophobicContact CZ-CG1 4.28Å; I406-L417 WeakPolarHBondContact O-CA 3.41Å; I406-W418 HydrophobicContact CB-CE3 4.05Å; I406-W418 HydrophobicContact CG2-CE3 3.82Å; I406-W418 HydrophobicContact CG2-CZ3 4.14Å; I406-W418 PolarHBondContact N-O 2.76Å; I406-W418 VanDerWaalsContact N-O 3.11Å; I406-W418 PolarHBondContact O-N 3.36Å; I406-L420 HydrophobicContact CD1-CD1 3.91Å; I406-L420 HydrophobicContact CD1-CG 4.25Å
407	V	90.6	Very high	86.2	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.9	164	68	0	0	0	0	110.5	F396 Q397 I415 L416 L417 V480 W482 I506 W559	F396-V407 CarbonylContact C-O 3.54Å; F396-V407 WeakPolarHBondContact CA-O 3.46Å; F396-V407 VanDerWaalsContact CB-O 3.32Å; F396-V407 WeakPolarHBondContact CB-O 3.41Å; Q397-V407 PolarHBondContact N-O 3.03Å; Q397-V407 PolarHBondContact O-N 3.49Å; V407-I415 HydrophobicContact CG2-CG2 3.44Å; V407-I415 VanDerWaalsContact CG2-CG2 3.44Å; V407-L416 WeakPolarHBondContact CA-O 3.4Å; V407-L416 WeakPolarHBondContact CG2-O 3.38Å; V407-L417 HydrophobicContact CB-CD2 3.95Å; V407-L417 HydrophobicContact CG2-CD2 4.12Å; V407-V480 HydrophobicContact CB-CG1 4.48Å; V407-V480 HydrophobicContact CG1-CG1 3.51Å; V407-V480 HydrophobicContact CG2-CG1 4.16Å; V407-W482 HydrophobicContact CB-CZ2 4.01Å; V407-W482 HydrophobicContact CG1-CZ2 4.06Å; V407-I506 HydrophobicContact CB-CD1 3.83Å; V407-I506 HydrophobicContact CG1-CD1 4.13Å; V407-I506 HydrophobicContact CG1-CG2 4.11Å; V407-I506 HydrophobicContact CG2-CD1 3.65Å; V407-I506 HydrophobicContact CG2-CG2 4.31Å; V407-W559 HydrophobicContact CG2-CH2 4.41Å
408	G	89.6	Confident	86.3	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.2	177	0	0	0	0	0	112.5	A395 I415 L416	A395-G408 CarbonylContact O-C 3.59Å; A395-G408 WeakPolarHBondContact O-CA 3.2Å; G408-I415 CarbonylContact O-C 3.55Å; G408-I415 WeakPolarHBondContact O-CA 3.42Å; G408-L416 PolarHBondContact N-O 3.01Å; G408-L416 PolarHBondContact O-N 3.12Å
409	G	90.4	Very high	86.3	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131	-179.1	0	0	0	0	0	112.4	I393 L394 A395	I393-G409 CarbonylContact C-O 3.55Å; I393-G409 WeakPolarHBondContact CA-O 3.31Å; I393-G409 VanDerWaalsContact CG2-O 3.23Å; I393-G409 WeakPolarHBondContact CG2-O 3.33Å; L394-G409 PolarHBondContact N-O 2.8Å; A395-G409 PolarHBondContact O-N 3.14Å
410	C	88.9	Confident	86.1	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	160.9	-170.9	-58.7	0	0	0	0	113.7	D391 D392 N412 G413 Q414 L416 V477	D391-C410 HydrophobicContact CB-CB 4.43Å; D392-C410 CarbonylContact O-C 3.55Å; D392-C410 WeakPolarHBondContact O-CA 3.23Å; C410-N412 WeakPolarHBondContact CB-OD1 3.34Å; C410-N412 PolarHBondContact O-N 2.81Å; C410-G413 PolarHBondContact O-N 2.81Å; C410-G413 VanDerWaalsContact O-N 3.1Å; C410-Q414 WeakPolarHBondContact CB-O 3.46Å; C410-Q414 PolarHBondContact N-O 2.69Å; C410-L416 WeakPolarHBondContact SG-CD1 3.26Å; C410-V477 PolarHBondContact O-N 3.16Å
411	I	87.9	Confident	85.8	Confident	65 Å²	65	12 Å²	12	33%	0.333	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.6	172.9	-162	170.3	0	0	0	111.8	D391 D392 G413 P476	D391-I411 HydrophobicContact CB-CG2 4.49Å; D392-I411 HydrophobicContact CB-CB 4.27Å; D392-I411 HydrophobicContact CB-CG2 3.88Å; D392-I411 WeakPolarHBondContact O-CB 3.29Å; D392-I411 WeakPolarHBondContact O-CG2 3.42Å; D392-I411 PolarHBondContact O-N 2.98Å; I411-G413 PolarHBondContact O-N 3.06Å; I411-P476 HydrophobicContact CG1-CB 4.18Å; I411-P476 HydrophobicContact CG1-CG 3.84Å; I411-P476 WeakPolarHBondContact O-CA 3.43Å; I411-P476 WeakPolarHBondContact O-CG 3.38Å
412	N	88.1	Confident	85.2	Confident	45 Å²	45	13.5 Å²	13.5	24%	0.241	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.6	174.2	76.9	6.2	0	0	0	113.7	D391 C410 Q414	D391-N412 PolarHBondContact OD2-ND2 2.92Å; C410-N412 WeakPolarHBondContact CB-OD1 3.34Å; C410-N412 PolarHBondContact O-N 2.81Å; N412-Q414 PolarHBondContact ND2-OE1 2.94Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.4Å; N412-Q414 WeakPolarHBondContact OD1-CG 3.18Å; N412-Q414 PolarHBondContact OD1-N 2.91Å
413	G	89.8	Confident	84.5	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	87.8	-6.8	179.9	0	0	0	0	0	116.2	C410 I411 S472 H473 A475 V477	C410-G413 PolarHBondContact O-N 2.81Å; C410-G413 VanDerWaalsContact O-N 3.1Å; I411-G413 PolarHBondContact O-N 3.06Å; G413-S472 WeakPolarHBondContact O-CB 3.07Å; G413-H473 WeakPolarHBondContact CA-O 3.25Å; G413-H473 PolarHBondContact O-N 2.87Å; G413-A475 VanDerWaalsContact CA-O 3.28Å; G413-A475 WeakPolarHBondContact CA-O 3.42Å; G413-V477 WeakPolarHBondContact O-CG2 3.37Å
414	Q	92.1	Very high	84	Confident	29 Å²	29	14.7 Å²	14.7	14%	0.136	9%	0.089	C	C	.	.			trans	-75.2	162.6	174.7	-62.2	-175.7	-75.5	0	0	112.8	C410 N412 V466 S467 L469	C410-Q414 WeakPolarHBondContact CB-O 3.46Å; C410-Q414 PolarHBondContact N-O 2.69Å; N412-Q414 PolarHBondContact ND2-OE1 2.94Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.4Å; N412-Q414 WeakPolarHBondContact OD1-CG 3.18Å; N412-Q414 PolarHBondContact OD1-N 2.91Å; Q414-V466 HydrophobicContact CB-CG1 4.25Å; Q414-V466 VanDerWaalsContact NE2-CG1 3.33Å; Q414-S467 WeakPolarHBondContact CA-OG 3.45Å; Q414-S467 PolarHBondContact NE2-O 3.41Å; Q414-L469 HydrophobicContact CG-CD1 3.71Å
415	I	92.5	Very high	82.8	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.2	178.1	-55.9	161.7	0	0	0	108.4	V407 G408 V466 S467 T508 W518 W559	V407-I415 HydrophobicContact CG2-CG2 3.44Å; V407-I415 VanDerWaalsContact CG2-CG2 3.44Å; G408-I415 CarbonylContact O-C 3.55Å; G408-I415 WeakPolarHBondContact O-CA 3.42Å; I415-V466 CarbonylContact O-C 3.55Å; I415-S467 PolarHBondContact N-OG 2.8Å; I415-S467 PolarHBondContact O-N 2.87Å; I415-T508 HydrophobicContact CD1-CG2 3.46Å; I415-T508 VanDerWaalsContact CD1-CG2 3.46Å; I415-T508 HydrophobicContact CG1-CG2 4.06Å; I415-W518 HydrophobicContact CD1-CD2 3.65Å; I415-W518 HydrophobicContact CD1-CE3 4.22Å; I415-W518 HydrophobicContact CD1-CG 4.13Å; I415-W518 HydrophobicContact CD1-CH2 3.95Å; I415-W518 HydrophobicContact CD1-CZ2 3.34Å; I415-W518 HydrophobicContact CD1-CZ3 4.34Å; I415-W518 VanDerWaalsContact CD1-NE1 3.29Å; I415-W559 HydrophobicContact CB-CZ3 4.05Å; I415-W559 HydrophobicContact CG2-CH2 3.83Å; I415-W559 HydrophobicContact CG2-CZ3 3.62Å
416	L	90.9	Very high	81.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.8	-174.9	-61.9	171.6	0	0	0	110.3	P390 I393 V407 G408 C410 W418 F463 A465 V466	P390-L416 HydrophobicContact CG-CD1 4.03Å; P390-L416 HydrophobicContact CG-CD2 3.88Å; I393-L416 HydrophobicContact CD1-CD1 4.13Å; I393-L416 HydrophobicContact CG1-CD1 4.26Å; V407-L416 WeakPolarHBondContact CA-O 3.4Å; V407-L416 WeakPolarHBondContact CG2-O 3.38Å; G408-L416 PolarHBondContact N-O 3.01Å; G408-L416 PolarHBondContact O-N 3.12Å; C410-L416 WeakPolarHBondContact SG-CD1 3.26Å; L416-W418 HydrophobicContact CB-CE3 4.4Å; L416-W418 HydrophobicContact CB-CH2 3.37Å; L416-W418 HydrophobicContact CB-CZ2 3.86Å; L416-W418 HydrophobicContact CB-CZ3 3.7Å; L416-W418 HydrophobicContact CD1-CH2 3.54Å; L416-W418 HydrophobicContact CD1-CZ2 3.59Å; L416-W418 HydrophobicContact CG-CH2 4.09Å; L416-W418 HydrophobicContact CG-CZ2 4.36Å; L416-F463 HydrophobicContact CD2-CB 4.42Å; L416-F463 HydrophobicContact CD2-CG 4.28Å; L416-A465 WeakPolarHBondContact CA-O 2.95Å; L416-V466 HydrophobicContact CD2-CB 4.03Å; L416-V466 HydrophobicContact CD2-CG1 3.75Å; L416-V466 HydrophobicContact CD2-CG2 3.62Å
417	L	90	Very high	80	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.6	164.9	-68.7	169.2	0	0	0	110.2	I405 I406 V407 F463 C464 A465 I506 V520 F552 L555 W559	I405-L417 HydrophobicContact CG2-CD2 4.42Å; I406-L417 WeakPolarHBondContact O-CA 3.41Å; V407-L417 HydrophobicContact CB-CD2 3.95Å; V407-L417 HydrophobicContact CG2-CD2 4.12Å; L417-F463 CarbonylContact O-C 3.52Å; L417-F463 WeakPolarHBondContact O-CA 3.4Å; L417-F463 WeakPolarHBondContact O-CB 3.43Å; L417-C464 PolarHBondContact O-N 2.97Å; L417-C464 PolarHBondContact O-SG 2.82Å; L417-A465 PolarHBondContact N-O 2.96Å; L417-I506 HydrophobicContact CD2-CD1 4.38Å; L417-V520 HydrophobicContact CD1-CG1 4.2Å; L417-F552 HydrophobicContact CB-CD2 4.4Å; L417-F552 HydrophobicContact CD1-CB 4.33Å; L417-F552 HydrophobicContact CD1-CD1 4.39Å; L417-F552 HydrophobicContact CD1-CD2 4.17Å; L417-F552 HydrophobicContact CD1-CG 4.02Å; L417-L555 HydrophobicContact CD1-CD1 3.72Å; L417-W559 HydrophobicContact CD1-CH2 3.83Å; L417-W559 HydrophobicContact CD1-CZ2 4.37Å; L417-W559 HydrophobicContact CD1-CZ3 3.95Å; L417-W559 HydrophobicContact CD2-CH2 4.1Å; L417-W559 HydrophobicContact CG-CH2 3.82Å; L417-W559 HydrophobicContact CG-CZ3 3.83Å
418	W	87.6	Confident	78.2	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.2	164.1	-57.9	-103	0	0	0	109.2	I371 L387 E388 I393 I405 I406 L416 F463	I371-W418 HydrophobicContact CD1-CH2 4.18Å; I371-W418 HydrophobicContact CD1-CZ2 4.34Å; L387-W418 HydrophobicContact CD1-CB 4.49Å; L387-W418 HydrophobicContact CD1-CD2 4.04Å; L387-W418 HydrophobicContact CD1-CG 3.99Å; E388-W418 PolarHBondContact O-NE1 3.23Å; I393-W418 HydrophobicContact CD1-CH2 3.41Å; I393-W418 VanDerWaalsContact CD1-CH2 3.41Å; I393-W418 HydrophobicContact CD1-CZ2 3.7Å; I405-W418 WeakPolarHBondContact CA-O 3.45Å; I406-W418 HydrophobicContact CB-CE3 4.05Å; I406-W418 HydrophobicContact CG2-CE3 3.82Å; I406-W418 HydrophobicContact CG2-CZ3 4.14Å; I406-W418 PolarHBondContact N-O 2.76Å; I406-W418 VanDerWaalsContact N-O 3.11Å; I406-W418 PolarHBondContact O-N 3.36Å; L416-W418 HydrophobicContact CB-CE3 4.4Å; L416-W418 HydrophobicContact CB-CH2 3.37Å; L416-W418 HydrophobicContact CB-CZ2 3.86Å; L416-W418 HydrophobicContact CB-CZ3 3.7Å; L416-W418 HydrophobicContact CD1-CH2 3.54Å; L416-W418 HydrophobicContact CD1-CZ2 3.59Å; L416-W418 HydrophobicContact CG-CH2 4.09Å; L416-W418 HydrophobicContact CG-CZ2 4.36Å; W418-F463 VanDerWaalsContact CD1-CA 3.44Å; W418-F463 HydrophobicContact CG-CB 4.46Å
419	D	84.6	Confident	75.9	Confident	6 Å²	6	33.4 Å²	33.4	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	111.2	172.5	179.8	4	0	0	0	108.6	S421 P549 T551	D419-S421 VanDerWaalsContact C-N 3.29Å; D419-S421 WeakPolarHBondContact OD1-CB 3.3Å; D419-S421 PolarHBondContact OD1-N 2.99Å; D419-S421 PolarHBondContact OD1-OG 3.45Å; D419-P549 HydrophobicContact CB-CB 4.2Å; D419-P549 HydrophobicContact CB-CG 4.22Å; D419-T551 WeakPolarHBondContact OD2-CB 3.27Å; D419-T551 PolarHBondContact OD2-OG1 3.16Å
420	L	78.1	Confident	73.6	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.209	C	C	.	.			trans	-81.6	-3	178.9	-59.8	-178.9	0	0	0	113.1	F385 L387 N404 I406 A422 H423 V424 I427 V461	F385-L420 HydrophobicContact CD2-CD2 4.45Å; F385-L420 HydrophobicContact CE2-CD1 4.14Å; F385-L420 HydrophobicContact CE2-CD2 3.67Å; F385-L420 HydrophobicContact CZ-CD1 4Å; F385-L420 HydrophobicContact CZ-CD2 4.28Å; L387-L420 HydrophobicContact CD2-CD2 3.87Å; N404-L420 HydrophobicContact CB-CB 4.14Å; N404-L420 WeakPolarHBondContact O-CB 3.12Å; N404-L420 WeakPolarHBondContact O-CG 3.33Å; N404-L420 PolarHBondContact O-N 3.39Å; I406-L420 HydrophobicContact CD1-CD1 3.91Å; I406-L420 HydrophobicContact CD1-CG 4.25Å; L420-A422 VanDerWaalsContact C-N 3.27Å; L420-A422 PolarHBondContact O-N 3.44Å; L420-A422 VanDerWaalsContact O-N 3.16Å; L420-H423 CarbonylContact O-C 3.59Å; L420-H423 VanDerWaalsContact O-CA 3.31Å; L420-H423 WeakPolarHBondContact O-CA 3.43Å; L420-H423 PolarHBondContact O-N 2.77Å; L420-V424 PolarHBondContact O-N 2.96Å; L420-I427 HydrophobicContact CB-CD1 4.44Å; L420-I427 HydrophobicContact CD1-CD1 4.29Å; L420-V461 HydrophobicContact CD2-CG1 4.45Å
421	S	74.4	Confident	71	Confident	49 Å²	49	41.5 Å²	41.5	34%	0.343	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-57.8	-36.7	-168.9	-56.8	0	0	0	0	113.2	N404 D419 H423 V424	N404-S421 PolarHBondContact ND2-OG 3.35Å; D419-S421 VanDerWaalsContact C-N 3.29Å; D419-S421 WeakPolarHBondContact OD1-CB 3.3Å; D419-S421 PolarHBondContact OD1-N 2.99Å; D419-S421 PolarHBondContact OD1-OG 3.45Å; S421-H423 PolarHBondContact O-N 2.95Å; S421-V424 PolarHBondContact O-N 3.31Å
422	A	67.1	Low	68.3	Low	55 Å²	55	43.8 Å²	43.8	46%	0.455	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-68.6	-20	173.7	0	0	0	0	0	114.1	L420 P549	L420-A422 VanDerWaalsContact C-N 3.27Å; L420-A422 PolarHBondContact O-N 3.44Å; L420-A422 VanDerWaalsContact O-N 3.16Å; A422-P549 HydrophobicContact CB-CG 4.14Å
423	H	65.1	Low	65.4	Low	11 Å²	11	46.5 Å²	46.5	5%	0.051	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-104.2	-1.8	179.1	-62.6	-81.4	0	0	0	113.4	L420 S421 T425 Y426 I427 C546	L420-H423 CarbonylContact O-C 3.59Å; L420-H423 VanDerWaalsContact O-CA 3.31Å; L420-H423 WeakPolarHBondContact O-CA 3.43Å; L420-H423 PolarHBondContact O-N 2.77Å; S421-H423 PolarHBondContact O-N 2.95Å; H423-T425 PolarHBondContact O-N 3.28Å; H423-Y426 WeakPolarHBondContact O-CA 3.36Å; H423-Y426 WeakPolarHBondContact O-CB 3.29Å; H423-Y426 PolarHBondContact O-N 3.36Å; H423-I427 PolarHBondContact O-N 3.42Å; H423-C546 VanDerWaalsContact CE1-SG 3.59Å
424	V	63.6	Low	62.8	Low	26 Å²	26	51.9 Å²	51.9	16%	0.158	31%	0.314	C	S	.	.	H	α-helix	trans	-55.3	-34.2	174	170.6	0	0	0	0	111.4	N404 L420 S421 Y426 I427 Q428	N404-V424 WeakPolarHBondContact OD1-CG2 3.23Å; L420-V424 PolarHBondContact O-N 2.96Å; S421-V424 PolarHBondContact O-N 3.31Å; V424-Y426 VanDerWaalsContact C-N 3.33Å; V424-Y426 PolarHBondContact O-N 2.82Å; V424-I427 CarbonylContact O-C 3.5Å; V424-I427 WeakPolarHBondContact O-CB 3.23Å; V424-I427 PolarHBondContact O-N 3.38Å; V424-Q428 HydrophobicContact CG1-CG 4.2Å; V424-Q428 WeakPolarHBondContact O-CB 3.38Å; V424-Q428 WeakPolarHBondContact O-CG 3.11Å; V424-Q428 PolarHBondContact O-N 2.84Å
425	T	55.8	Low	59.9	Low	94 Å²	94	61.6 Å²	61.6	58%	0.577	35%	0.349	S	S	*	.	H	α-helix	trans	-66.3	-31.7	174.5	-40.8	0	0	0	0	112.7	H423 Q428 A429	H423-T425 PolarHBondContact O-N 3.28Å; T425-Q428 PolarHBondContact O-N 3.47Å; T425-A429 WeakPolarHBondContact O-CA 3.38Å; T425-A429 WeakPolarHBondContact O-CB 3.42Å; T425-A429 PolarHBondContact O-N 3.37Å
426	Y	57.5	Low	57	Low	114 Å²	114	71.4 Å²	71.4	45%	0.447	39%	0.392	S	S	.	.	H	α-helix	trans	-77.6	-27.5	172.3	-71.7	-87.4	0	0	0	112.9	Q384 H423 V424 Q428	Q384-Y426 PolarHBondContact NE2-O 3.34Å; H423-Y426 WeakPolarHBondContact O-CA 3.36Å; H423-Y426 WeakPolarHBondContact O-CB 3.29Å; H423-Y426 PolarHBondContact O-N 3.36Å; V424-Y426 VanDerWaalsContact C-N 3.33Å; V424-Y426 PolarHBondContact O-N 2.82Å; Y426-Q428 VanDerWaalsContact C-N 3.31Å
427	I	56.3	Low	54.1	Low	14 Å²	14	78.1 Å²	78.1	7%	0.072	43%	0.428	C	S	.	.	H	α-helix	trans	-68.5	-32.1	170.8	-72.3	169.8	0	0	0	110.4	I340 F347 F385 L420 H423 V424	I340-I427 HydrophobicContact CD1-CG2 4.48Å; F347-I427 HydrophobicContact CD2-CG2 4.2Å; F347-I427 HydrophobicContact CE1-CB 4.3Å; F347-I427 HydrophobicContact CE1-CG1 4Å; F347-I427 HydrophobicContact CE1-CG2 4.04Å; F347-I427 HydrophobicContact CE2-CB 4.36Å; F347-I427 HydrophobicContact CE2-CG2 3.48Å; F347-I427 VanDerWaalsContact CE2-CG2 3.48Å; F347-I427 WeakPolarHBondContact CE2-O 3.42Å; F347-I427 HydrophobicContact CZ-CB 3.81Å; F347-I427 HydrophobicContact CZ-CG1 4.04Å; F347-I427 HydrophobicContact CZ-CG2 3.42Å; F347-I427 VanDerWaalsContact CZ-CG2 3.42Å; F347-I427 VanDerWaalsContact CZ-O 3.29Å; F347-I427 WeakPolarHBondContact CZ-O 3.23Å; F385-I427 HydrophobicContact CD1-CG1 4.38Å; F385-I427 HydrophobicContact CE1-CD1 3.88Å; F385-I427 HydrophobicContact CE1-CG1 3.71Å; F385-I427 HydrophobicContact CZ-CD1 3.93Å; F385-I427 HydrophobicContact CZ-CG1 4.29Å; L420-I427 HydrophobicContact CB-CD1 4.44Å; L420-I427 HydrophobicContact CD1-CD1 4.29Å; H423-I427 PolarHBondContact O-N 3.42Å; V424-I427 CarbonylContact O-C 3.5Å; V424-I427 WeakPolarHBondContact O-CB 3.23Å; V424-I427 PolarHBondContact O-N 3.38Å
428	Q	52	Low	51.6	Low	118 Å²	118	83.5 Å²	83.5	55%	0.551	47%	0.465	S	S	*	.	H	α-helix	trans	-100.5	-26.3	-177.4	-68.3	175.4	-11.3	0	0	114.9	V424 T425 Y426 S430 Q431	V424-Q428 HydrophobicContact CG1-CG 4.2Å; V424-Q428 WeakPolarHBondContact O-CB 3.38Å; V424-Q428 WeakPolarHBondContact O-CG 3.11Å; V424-Q428 PolarHBondContact O-N 2.84Å; T425-Q428 PolarHBondContact O-N 3.47Å; Y426-Q428 VanDerWaalsContact C-N 3.31Å; Q428-S430 PolarHBondContact O-N 2.95Å; Q428-Q431 VanDerWaalsContact O-CB 3.27Å; Q428-Q431 WeakPolarHBondContact O-CB 3.49Å; Q428-Q431 WeakPolarHBondContact O-CG 3.46Å; Q428-Q431 PolarHBondContact O-N 2.77Å; Q428-Q431 VanDerWaalsContact O-N 3.14Å
429	A	41.9	Very low	49.1	Very low	74 Å²	74	90 Å²	90	61%	0.612	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.2	-174	0	0	0	0	0	115	T425 Q431	T425-A429 WeakPolarHBondContact O-CA 3.38Å; T425-A429 WeakPolarHBondContact O-CB 3.42Å; T425-A429 PolarHBondContact O-N 3.37Å; A429-Q431 PolarHBondContact O-N 3.14Å
430	S	42.2	Very low	46.5	Very low	52 Å²	52	93.1 Å²	93.1	36%	0.364	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-2.8	165.2	49.6	0	0	0	0	113.3	Q428 P432	Q428-S430 PolarHBondContact O-N 2.95Å; S430-P432 WeakPolarHBondContact O-CD 3.25Å
431	Q	34.5	Very low	44.5	Very low	118 Å²	118	96.1 Å²	96.1	55%	0.551	55%	0.549	S	S	*	.	S	Bend	trans	-70	120.9	171.5	-70.5	-81.5	-21	0	0	111.7	Q428 A429 S433	Q428-Q431 VanDerWaalsContact O-CB 3.27Å; Q428-Q431 WeakPolarHBondContact O-CB 3.49Å; Q428-Q431 WeakPolarHBondContact O-CG 3.46Å; Q428-Q431 PolarHBondContact O-N 2.77Å; Q428-Q431 VanDerWaalsContact O-N 3.14Å; A429-Q431 PolarHBondContact O-N 3.14Å; Q431-S433 PolarHBondContact O-N 3.17Å
432	P	29.8	Very low	42.6	Very low	113 Å²	113	99.8 Å²	99.8	73%	0.734	57%	0.565	S	S	*	*			trans	-78.3	71.1	170.1	33.3	-34.4	0	0	0	110.6	S430 S434	S430-P432 WeakPolarHBondContact O-CD 3.25Å; P432-S434 PolarHBondContact O-N 2.85Å
433	S	27.2	Very low	41.2	Very low	102 Å²	102	105.5 Å²	105.5	71%	0.713	58%	0.579	S	S	*	*			trans	-82	105.5	-174.2	51.4	0	0	0	0	113.3	Q431 R435	Q431-S433 PolarHBondContact O-N 3.17Å; S433-R435 PolarHBondContact O-N 3.43Å; S433-R435 VanDerWaalsContact O-N 3.08Å
434	S	35.6	Very low	39.7	Very low	113 Å²	113	111.2 Å²	111.2	79%	0.79	60%	0.604	S	S	*	*			trans	-78.9	82.5	177	46.5	0	0	0	0	113.1	P432	P432-S434 PolarHBondContact O-N 2.85Å
435	R	31.1	Very low	38.5	Very low	232 Å²	232	113.7 Å²	113.7	88%	0.875	62%	0.619	S	S	*	*			trans	-160.3	134.9	157.3	-101.8	138.5	-160.1	-160.3	5.1	112.2	S433	S433-R435 PolarHBondContact O-N 3.43Å; S433-R435 VanDerWaalsContact O-N 3.08Å
436	K	32.6	Very low	37.5	Very low	208 Å²	208	114.3 Å²	114.3	90%	0.904	62%	0.619	S	S	*	*			trans	-105.3	93.7	173.3	-72.5	-179.4	178.4	175.6	0	110
437	D	29.2	Very low	36.8	Very low	140 Å²	140	113.6 Å²	113.6	75%	0.749	62%	0.622	S	S	*	*			trans	-90	112.6	165.7	-75.4	-35.7	0	0	0	109.4	T439	D437-T439 PolarHBondContact O-N 2.79Å; D437-T439 VanDerWaalsContact O-N 3.12Å
438	S	38.2	Very low	35.8	Very low	113 Å²	113	118.1 Å²	118.1	79%	0.79	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	62.6	-161.7	63.6	0	0	0	0	114.2
439	T	33.7	Very low	35	Very low	136 Å²	136	118.6 Å²	118.6	83%	0.834	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.6	9	179.6	-2.8	0	0	0	0	116.2	D437	D437-T439 PolarHBondContact O-N 2.79Å; D437-T439 VanDerWaalsContact O-N 3.12Å
440	S	31.5	Very low	34.8	Very low	73 Å²	73	119.9 Å²	119.9	51%	0.51	64%	0.644	S	S	.	*			trans	-138	14.7	-178.8	60.7	0	0	0	0	114.9	D442	S440-D442 VanDerWaalsContact C-N 3.33Å; S440-D442 PolarHBondContact O-N 3.03Å
441	S	35.3	Very low	34.6	Very low	64 Å²	64	120.6 Å²	120.6	45%	0.448	64%	0.644	S	S	.	*	H	α-helix	trans	-51.1	-43	-170.1	41.1	0	0	0	0	115.2	K443 F444 V445	S441-K443 VanDerWaalsContact C-N 3.27Å; S441-K443 PolarHBondContact O-N 3.06Å; S441-F444 PolarHBondContact O-N 3.46Å; S441-V445 WeakPolarHBondContact O-CG2 3.44Å; S441-V445 PolarHBondContact O-N 3.1Å
442	D	33.9	Very low	34.6	Very low	126 Å²	126	119.8 Å²	119.8	67%	0.674	64%	0.643	S	S	*	*	H	α-helix	trans	-76.9	-14.4	-156.7	-58.3	6.2	0	0	0	113.4	S440 N446	S440-D442 VanDerWaalsContact C-N 3.33Å; S440-D442 PolarHBondContact O-N 3.03Å; D442-N446 PolarHBondContact O-ND2 3.15Å
443	K	38.3	Very low	34.8	Very low	175 Å²	175	121.9 Å²	121.9	76%	0.761	65%	0.648	S	S	*	*	H	α-helix	trans	-92	-34.6	166.8	-69.9	-175.3	177.7	-179.2	0	112.5	S441	S441-K443 VanDerWaalsContact C-N 3.27Å; S441-K443 PolarHBondContact O-N 3.06Å
444	F	33.9	Very low	35.3	Very low	131 Å²	131	119.4 Å²	119.4	58%	0.575	63%	0.631	S	S	*	*	H	α-helix	trans	-69.6	-40.5	-179.5	-95.6	-92	0	0	0	113.2	S441 N446 I447 L448	S441-F444 PolarHBondContact O-N 3.46Å; F444-N446 PolarHBondContact O-N 3.48Å; F444-I447 PolarHBondContact O-N 3.39Å; F444-L448 PolarHBondContact O-N 3.42Å; F444-L448 VanDerWaalsContact O-N 3.15Å
445	V	38.4	Very low	35.4	Very low	78 Å²	78	121.6 Å²	121.6	47%	0.473	63%	0.626	S	S	.	*	H	α-helix	trans	-62.9	-41.8	-179.9	172.6	0	0	0	0	111.4	S441 I447 L448 Q449	S441-V445 WeakPolarHBondContact O-CG2 3.44Å; S441-V445 PolarHBondContact O-N 3.1Å; V445-I447 PolarHBondContact O-N 3.15Å; V445-L448 PolarHBondContact O-N 2.74Å; V445-Q449 WeakPolarHBondContact O-CB 3.2Å; V445-Q449 PolarHBondContact O-N 3.08Å
446	N	34.7	Very low	36.1	Very low	107 Å²	107	119.3 Å²	119.3	57%	0.572	63%	0.625	S	S	*	*	H	α-helix	trans	-62.6	-42.2	179.4	-75.8	-63.9	0	0	0	112.4	D442 F444 L448 Q449 D450	D442-N446 PolarHBondContact O-ND2 3.15Å; F444-N446 PolarHBondContact O-N 3.48Å; N446-L448 PolarHBondContact O-N 3.09Å; N446-Q449 PolarHBondContact O-N 3.45Å; N446-D450 PolarHBondContact O-N 2.96Å
447	I	43.2	Very low	37.1	Very low	99 Å²	99	116 Å²	116	51%	0.508	62%	0.618	S	S	.	*	H	α-helix	trans	-65.1	-39.5	177.2	-62.6	168.8	0	0	0	111.2	F444 V445 Q449 L451	F444-I447 PolarHBondContact O-N 3.39Å; V445-I447 PolarHBondContact O-N 3.15Å; I447-Q449 VanDerWaalsContact C-N 3.28Å; I447-Q449 PolarHBondContact O-N 2.68Å; I447-L451 HydrophobicContact CG2-CD1 4.32Å; I447-L451 WeakPolarHBondContact O-CD1 3.12Å; I447-L451 WeakPolarHBondContact O-CG 3.08Å; I447-L451 PolarHBondContact O-N 3.29Å
448	L	34.4	Very low	38.9	Very low	108 Å²	108	111.6 Å²	111.6	57%	0.565	59%	0.594	S	S	*	*	H	α-helix	trans	-71.5	-21.7	176.4	-72.1	169.9	0	0	0	113.5	F444 V445 N446 L451	F444-L448 PolarHBondContact O-N 3.42Å; F444-L448 VanDerWaalsContact O-N 3.15Å; V445-L448 PolarHBondContact O-N 2.74Å; N446-L448 PolarHBondContact O-N 3.09Å; L448-L451 HydrophobicContact CD2-CD1 4.35Å
449	Q	35.8	Very low	40.3	Very low	129 Å²	129	108.2 Å²	108.2	60%	0.603	57%	0.569	S	S	*	*	H	α-helix	trans	-78.3	-43.9	178.4	-164.4	139	-5.8	0	0	111.3	V445 N446 I447 L451 N452	V445-Q449 WeakPolarHBondContact O-CB 3.2Å; V445-Q449 PolarHBondContact O-N 3.08Å; N446-Q449 PolarHBondContact O-N 3.45Å; I447-Q449 VanDerWaalsContact C-N 3.28Å; I447-Q449 PolarHBondContact O-N 2.68Å; Q449-L451 PolarHBondContact O-N 3.34Å; Q449-N452 PolarHBondContact O-N 3.14Å
450	D	36.4	Very low	42.2	Very low	100 Å²	100	105.8 Å²	105.8	54%	0.535	55%	0.55	S	S	.	*	H	α-helix	trans	-58.8	-33.8	171.8	-76.9	-14.6	0	0	0	112.4	N446 N452 D453	N446-D450 PolarHBondContact O-N 2.96Å; D450-N452 VanDerWaalsContact C-N 3.33Å; D450-N452 PolarHBondContact O-N 2.88Å; D450-D453 PolarHBondContact O-N 3.16Å
451	L	39.1	Very low	44.4	Very low	68 Å²	68	102.4 Å²	102.4	36%	0.356	53%	0.526	S	S	.	.	H	α-helix	trans	-71.2	-17.9	-178.4	-79.4	168.1	0	0	0	115	I447 L448 Q449	I447-L451 HydrophobicContact CG2-CD1 4.32Å; I447-L451 WeakPolarHBondContact O-CD1 3.12Å; I447-L451 WeakPolarHBondContact O-CG 3.08Å; I447-L451 PolarHBondContact O-N 3.29Å; L448-L451 HydrophobicContact CD2-CD1 4.35Å; Q449-L451 PolarHBondContact O-N 3.34Å
452	N	35	Very low	46.5	Very low	100 Å²	100	105.8 Å²	105.8	54%	0.535	53%	0.529	S	S	.	.	H	α-helix	trans	-77	-27.3	177.9	-103.2	-47.8	0	0	0	112.9	Q449 D450 K455	Q449-N452 PolarHBondContact O-N 3.14Å; D450-N452 VanDerWaalsContact C-N 3.33Å; D450-N452 PolarHBondContact O-N 2.88Å; N452-K455 VanDerWaalsContact OD1-CE 3.3Å; N452-K455 WeakPolarHBondContact OD1-CE 3.47Å; N452-K455 PolarHBondContact OD1-NZ 2.85Å
453	D	34	Very low	48.8	Very low	158 Å²	158	102.2 Å²	102.2	85%	0.845	51%	0.508	S	S	*	.	H	α-helix	trans	-87.9	-10.6	179.3	-70.5	-13.7	0	0	0	112.8	D450	D450-D453 PolarHBondContact O-N 3.16Å
454	S	36.8	Very low	51	Low	50 Å²	50	94.5 Å²	94.5	35%	0.35	48%	0.476	S	S	.	.			trans	-105.2	19.6	-169.7	80.1	0	0	0	0	116	E456 N457	S454-E456 PolarHBondContact O-N 3.12Å; S454-N457 PolarHBondContact O-N 3.43Å
455	K	39	Very low	53.4	Low	159 Å²	159	88.2 Å²	88.2	69%	0.691	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	5	-167.6	-68.1	-177.2	-176.8	168.3	0	117.3	N452	N452-K455 VanDerWaalsContact OD1-CE 3.3Å; N452-K455 WeakPolarHBondContact OD1-CE 3.47Å; N452-K455 PolarHBondContact OD1-NZ 2.85Å
456	E	44.1	Very low	55.9	Low	183 Å²	183	85.1 Å²	85.1	86%	0.855	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-10.2	-179.7	-60.4	-165.5	141.5	0	0	114.6	S454	S454-E456 PolarHBondContact O-N 3.12Å
457	N	55.3	Low	58.6	Low	140 Å²	140	80 Å²	80	75%	0.749	40%	0.402	S	S	*	.			trans	-112.8	117.9	-171.5	-73.9	-43	0	0	0	113.4	S454	S454-N457 PolarHBondContact O-N 3.43Å
458	I	65.8	Low	60.8	Low	46 Å²	46	75.9 Å²	75.9	24%	0.236	38%	0.383	C	S	.	.			trans	-76.9	134.6	173.1	-59.7	159.4	0	0	0	109.1	F325 Q383 L386 I460	F325-I458 HydrophobicContact CE2-CD1 4Å; Q383-I458 HydrophobicContact CB-CD1 3.91Å; L386-I458 HydrophobicContact CD1-CB 4.28Å; L386-I458 HydrophobicContact CD1-CG2 4.02Å; L386-I458 HydrophobicContact CG-CG2 3.86Å; I458-I460 PolarHBondContact O-N 2.9Å
459	P	67.4	Low	63.3	Low	43 Å²	43	76.1 Å²	76.1	28%	0.279	38%	0.384	S	S	.	.			trans	-66.9	133.6	-179.4	25.8	-33.9	0	0	0	112.4	Q384 F385 L386	Q384-P459 WeakPolarHBondContact O-CG 3.46Å; F385-P459 WeakPolarHBondContact CA-O 3.49Å; F385-P459 HydrophobicContact CB-CG 3.99Å; L386-P459 PolarHBondContact N-O 2.71Å
460	I	73.4	Confident	65.7	Low	85 Å²	85	79.7 Å²	79.7	44%	0.436	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.4	175.6	-57.8	172.4	0	0	0	108.7	L386 E388 I458	L386-I460 HydrophobicContact CB-CG1 4.18Å; L386-I460 HydrophobicContact CD1-CG1 4.02Å; L386-I460 CarbonylContact O-C 3.49Å; L386-I460 WeakPolarHBondContact O-CA 3.4Å; E388-I460 HydrophobicContact CB-CG2 3.8Å; I458-I460 PolarHBondContact O-N 2.9Å
461	V	77.7	Confident	68.1	Low	2 Å²	2	76 Å²	76	1%	0.012	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.2	178.7	-170.3	0	0	0	0	109.4	F385 L386 L387 E388 L420	F385-V461 HydrophobicContact CD2-CG2 4.19Å; L386-V461 PolarHBondContact O-N 2.9Å; L387-V461 CarbonylContact C-O 3.38Å; L387-V461 WeakPolarHBondContact CA-O 3.47Å; L387-V461 HydrophobicContact CD2-CB 3.73Å; L387-V461 HydrophobicContact CD2-CG1 4.33Å; L387-V461 HydrophobicContact CD2-CG2 4.14Å; E388-V461 PolarHBondContact N-O 3.02Å; L420-V461 HydrophobicContact CD2-CG1 4.45Å
462	R	80.2	Confident	70.6	Confident	135 Å²	135	72.9 Å²	72.9	51%	0.509	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-91.2	153.6	178.5	-75.7	177.6	165	-173.4	-16.1	112.3	E388 V548	E388-R462 HydrophobicContact CB-CG 4.15Å; E388-R462 IonicContact OE1-CZ 2.75Å; E388-R462 IonicContact OE1-NE 3.31Å; E388-R462 IonicContact OE1-NH2 3.43Å; E388-R462 PolarHBondContact OE1-NH2 3.28Å; E388-R462 WeakPolarHBondContact OE2-CG 3.05Å; E388-R462 IonicContact OE2-CZ 3.62Å; E388-R462 IonicContact OE2-NE 3.5Å; E388-R462 PolarHBondContact OE2-NE 3Å; E388-R462 IonicContact OE2-NH2 3.65Å; E388-R462 PolarHBondContact OE2-NH2 2.94Å; E388-R462 VanDerWaalsContact OE2-NH2 3.11Å; R462-V548 HydrophobicContact CB-CG2 3.85Å
463	F	82.4	Confident	73.4	Confident	51 Å²	51	68.4 Å²	68.4	22%	0.224	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61.7	146.3	166	56.5	-94.7	0	0	0	109.9	P390 L416 L417 W418 V466	P390-F463 HydrophobicContact CB-CE1 4.13Å; P390-F463 HydrophobicContact CB-CZ 4.44Å; P390-F463 HydrophobicContact CG-CD1 4.47Å; P390-F463 HydrophobicContact CG-CE1 4.07Å; P390-F463 HydrophobicContact CG-CZ 4.49Å; L416-F463 HydrophobicContact CD2-CB 4.42Å; L416-F463 HydrophobicContact CD2-CG 4.28Å; L417-F463 CarbonylContact O-C 3.52Å; L417-F463 WeakPolarHBondContact O-CA 3.4Å; L417-F463 WeakPolarHBondContact O-CB 3.43Å; W418-F463 VanDerWaalsContact CD1-CA 3.44Å; W418-F463 HydrophobicContact CG-CB 4.46Å; F463-V466 HydrophobicContact CD2-CG2 3.45Å; F463-V466 VanDerWaalsContact CD2-CG2 3.45Å; F463-V466 HydrophobicContact CE2-CG2 3.28Å; F463-V466 HydrophobicContact CG-CG2 4.37Å; F463-V466 HydrophobicContact CZ-CG2 4.09Å
464	C	83.8	Confident	76.2	Confident	12 Å²	12	69.9 Å²	69.9	8%	0.081	34%	0.341	C	S	.	.	S	Bend	trans	-102.3	-17	-179.6	53	0	0	0	0	113.3	L417 V548	L417-C464 PolarHBondContact O-N 2.97Å; L417-C464 PolarHBondContact O-SG 2.82Å; C464-V548 HydrophobicContact CB-CG1 4.07Å
465	A	84.9	Confident	78.8	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	145.5	169.9	0	0	0	0	0	112.7	L416 L417 F552 L555 D556	L416-A465 WeakPolarHBondContact CA-O 2.95Å; L417-A465 PolarHBondContact N-O 2.96Å; A465-F552 HydrophobicContact CB-CB 4.03Å; A465-L555 HydrophobicContact CB-CB 3.78Å; A465-D556 HydrophobicContact CB-CB 4.4Å
466	V	90.6	Very high	81.4	Confident	13 Å²	13	62.9 Å²	62.9	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.8	171.2	-167.9	0	0	0	0	110.8	Q414 I415 L416 F463 D556 R557	Q414-V466 HydrophobicContact CB-CG1 4.25Å; Q414-V466 VanDerWaalsContact NE2-CG1 3.33Å; I415-V466 CarbonylContact O-C 3.55Å; L416-V466 HydrophobicContact CD2-CB 4.03Å; L416-V466 HydrophobicContact CD2-CG1 3.75Å; L416-V466 HydrophobicContact CD2-CG2 3.62Å; F463-V466 HydrophobicContact CD2-CG2 3.45Å; F463-V466 VanDerWaalsContact CD2-CG2 3.45Å; F463-V466 HydrophobicContact CE2-CG2 3.28Å; F463-V466 HydrophobicContact CG-CG2 4.37Å; F463-V466 HydrophobicContact CZ-CG2 4.09Å; V466-D556 PolarHBondContact N-OD1 2.93Å; V466-R557 WeakPolarHBondContact O-CA 3.43Å; V466-R557 PolarHBondContact O-N 3.33Å
467	S	92.1	Very high	83.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.			trans	-67	148.1	175	66.4	0	0	0	0	114	Q414 I415 L469 S472	Q414-S467 WeakPolarHBondContact CA-OG 3.45Å; Q414-S467 PolarHBondContact NE2-O 3.41Å; I415-S467 PolarHBondContact N-OG 2.8Å; I415-S467 PolarHBondContact O-N 2.87Å; S467-L469 PolarHBondContact O-N 3.11Å; S467-S472 PolarHBondContact OG-OG 2.96Å
468	A	88.8	Confident	85.5	Confident	12 Å²	12	48.2 Å²	48.2	10%	0.099	24%	0.241	C	C	.	.			trans	-63.1	120.9	177.3	0	0	0	0	0	110.4	E470 S471 S472 R557 W559	A468-E470 VanDerWaalsContact C-N 3.34Å; A468-E470 PolarHBondContact O-N 2.87Å; A468-S471 WeakPolarHBondContact CB-OG 3.35Å; A468-S471 CarbonylContact O-C 3.58Å; A468-S471 PolarHBondContact O-N 2.93Å; A468-S471 PolarHBondContact O-OG 3Å; A468-S471 VanDerWaalsContact O-OG 3.08Å; A468-S472 PolarHBondContact O-N 2.8Å; A468-S472 PolarHBondContact O-OG 2.99Å; A468-R557 VanDerWaalsContact CB-O 3.23Å; A468-R557 WeakPolarHBondContact CB-O 3.44Å; A468-W559 WeakPolarHBondContact CB-O 3.45Å; A468-W559 PolarHBondContact N-O 3.08Å
469	L	86.5	Confident	86.7	Confident	112 Å²	112	47.1 Å²	47.1	59%	0.586	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-56.1	-43.7	-169.1	-176.7	64.2	0	0	0	112.8	Q414 S467 S471 S472	Q414-L469 HydrophobicContact CG-CD1 3.71Å; S467-L469 PolarHBondContact O-N 3.11Å; L469-S471 PolarHBondContact O-N 3.15Å; L469-S472 WeakPolarHBondContact O-CB 3.19Å; L469-S472 PolarHBondContact O-N 2.96Å; L469-S472 VanDerWaalsContact O-N 3.12Å
470	E	86.2	Confident	87.9	Confident	204 Å²	204	45.3 Å²	45.3	95%	0.953	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-61.7	-28.1	-179.7	-59.6	-178.3	161.4	0	0	114	A468	A468-E470 VanDerWaalsContact C-N 3.34Å; A468-E470 PolarHBondContact O-N 2.87Å
471	S	86.7	Confident	88.8	Confident	23 Å²	23	42.6 Å²	42.6	16%	0.161	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-105	4.5	178.5	51.3	0	0	0	0	113.7	A468 L469 R516 W518 K560	A468-S471 WeakPolarHBondContact CB-OG 3.35Å; A468-S471 CarbonylContact O-C 3.58Å; A468-S471 PolarHBondContact O-N 2.93Å; A468-S471 PolarHBondContact O-OG 3Å; A468-S471 VanDerWaalsContact O-OG 3.08Å; L469-S471 PolarHBondContact O-N 3.15Å; S471-R516 PolarHBondContact O-NH1 3.11Å; S471-W518 WeakPolarHBondContact O-CH2 3.11Å; S471-K560 VanDerWaalsContact OG-CG 3.28Å; S471-K560 WeakPolarHBondContact OG-CG 3.43Å
472	S	91.8	Very high	89.4	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.021	21%	0.209	C	C	.	.	S	Bend	trans	-79.6	173.2	174.7	-61.5	0	0	0	0	111	G413 S467 A468 L469 R516	G413-S472 WeakPolarHBondContact O-CB 3.07Å; S467-S472 PolarHBondContact OG-OG 2.96Å; A468-S472 PolarHBondContact O-N 2.8Å; A468-S472 PolarHBondContact O-OG 2.99Å; L469-S472 WeakPolarHBondContact O-CB 3.19Å; L469-S472 PolarHBondContact O-N 2.96Å; L469-S472 VanDerWaalsContact O-N 3.12Å; S472-R516 VanDerWaalsContact O-CZ 3.32Å; S472-R516 PolarHBondContact O-NH1 2.92Å; S472-R516 PolarHBondContact O-NH2 2.71Å
473	H	93.8	Very high	89.8	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.023	19%	0.185	C	C	.	.			trans	-63.8	152.6	174.9	-74.2	-86.3	0	0	0	110.9	G413 A475 V477 T508 S510 D512 T514 R516	G413-H473 WeakPolarHBondContact CA-O 3.25Å; G413-H473 PolarHBondContact O-N 2.87Å; H473-A475 VanDerWaalsContact C-N 3.34Å; H473-A475 WeakPolarHBondContact CB-O 3.38Å; H473-V477 HydrophobicContact CB-CG2 4.33Å; H473-T508 PolarHBondContact NE2-OG1 3.46Å; H473-S510 WeakPolarHBondContact ND1-CB 3.43Å; H473-D512 VanDerWaalsContact CA-OD2 3.32Å; H473-D512 WeakPolarHBondContact CA-OD2 3.36Å; H473-D512 IonicContact CE1-OD1 2.71Å; H473-D512 IonicContact CG-OD1 2.61Å; H473-D512 IonicContact CG-OD2 3.54Å; H473-D512 IonicContact ND1-OD1 2.71Å; H473-D512 PolarHBondContact ND1-OD1 3.33Å; H473-D512 IonicContact ND1-OD2 3.35Å; H473-D512 PolarHBondContact ND1-OD2 3.15Å; H473-T514 PolarHBondContact CE1-O 2.82Å; H473-T514 PolarHBondContact CE1-OG1 3.41Å; H473-T514 PolarHBondContact ND1-OG1 2.85Å; H473-R516 VanDerWaalsContact CE1-CD 3.48Å; H473-R516 WeakPolarHBondContact CE1-CD 3.34Å; H473-R516 PolarHBondContact ND1-NE 3.21Å
474	K	92.4	Very high	89.8	Confident	190 Å²	190	34 Å²	34	83%	0.826	18%	0.176	S	C	*	.	S	Bend	trans	-88.8	-4.8	177.3	-63	-175.4	178.2	-178.5	0	113.6	D512	K474-D512 HydrophobicContact CB-CB 3.98Å; K474-D512 PolarHBondContact N-OD2 3.17Å
475	A	92.9	Very high	89.7	Confident	22 Å²	22	35.2 Å²	35.2	18%	0.182	18%	0.183	C	C	.	.	S	Bend	trans	-140.7	169.9	-178.4	0	0	0	0	0	108.6	G413 H473 S510 P511 D512	G413-A475 VanDerWaalsContact CA-O 3.28Å; G413-A475 WeakPolarHBondContact CA-O 3.42Å; H473-A475 VanDerWaalsContact C-N 3.34Å; H473-A475 WeakPolarHBondContact CB-O 3.38Å; A475-S510 VanDerWaalsContact C-OG 3.27Å; A475-S510 PolarHBondContact O-OG 2.89Å; A475-P511 HydrophobicContact CB-CB 4.13Å; A475-D512 HydrophobicContact CB-CB 4.01Å
476	P	92.2	Very high	89.5	Confident	39 Å²	39	38.5 Å²	38.5	25%	0.253	20%	0.203	S	C	.	.			trans	-54.6	141.9	-177	-27.2	35.3	0	0	0	113.4	L394 I411 T478 S510 P511	L394-P476 HydrophobicContact CD1-CB 3.42Å; L394-P476 VanDerWaalsContact CD1-CB 3.42Å; L394-P476 HydrophobicContact CD1-CG 4.4Å; L394-P476 HydrophobicContact CG-CB 4.34Å; I411-P476 HydrophobicContact CG1-CB 4.18Å; I411-P476 HydrophobicContact CG1-CG 3.84Å; I411-P476 WeakPolarHBondContact O-CA 3.43Å; I411-P476 WeakPolarHBondContact O-CG 3.38Å; P476-T478 PolarHBondContact O-N 2.81Å; P476-S510 WeakPolarHBondContact O-CA 3.35Å; P476-S510 WeakPolarHBondContact O-CB 3.38Å; P476-S510 PolarHBondContact O-OG 3.41Å; P476-P511 WeakPolarHBondContact O-CD 3.25Å
477	V	93.4	Very high	89.2	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.			trans	-82.9	93.8	176	-173.5	0	0	0	0	109.6	L394 C410 G413 H473 V480 T508 C509	L394-V477 WeakPolarHBondContact CB-O 3.46Å; C410-V477 PolarHBondContact O-N 3.16Å; G413-V477 WeakPolarHBondContact O-CG2 3.37Å; H473-V477 HydrophobicContact CB-CG2 4.33Å; V477-V480 HydrophobicContact CG1-CG2 3.56Å; V477-T508 HydrophobicContact CG1-CG2 4.25Å; V477-C509 CarbonylContact C-O 3.57Å; V477-C509 WeakPolarHBondContact CA-O 3.3Å
478	T	92.1	Very high	88.9	Confident	16 Å²	16	38.7 Å²	38.7	10%	0.098	20%	0.203	C	C	.	.			trans	-75.2	-22.5	-172.7	50.4	0	0	0	0	113.9	P476 C509 P511 M579 K580	P476-T478 PolarHBondContact O-N 2.81Å; T478-C509 PolarHBondContact N-O 2.91Å; T478-C509 PolarHBondContact OG1-O 2.63Å; T478-P511 HydrophobicContact CG2-CG 3.94Å; T478-M579 VanDerWaalsContact CB-O 3.24Å; T478-M579 WeakPolarHBondContact CB-O 3.34Å; T478-M579 HydrophobicContact CG2-CE 3.96Å; T478-M579 HydrophobicContact CG2-SD 4.43Å; T478-M579 PolarHBondContact OG1-O 2.61Å; T478-K580 PolarHBondContact O-NZ 3.04Å
479	D	91.8	Very high	88.8	Confident	22 Å²	22	38.2 Å²	38.2	12%	0.118	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147.2	176.3	-145	47.3	0	0	0	113	Q481 C509 K580 F581	D479-Q481 PolarHBondContact OD2-NE2 3.09Å; D479-C509 HydrophobicContact CB-CB 4.06Å; D479-C509 PolarHBondContact N-O 3.32Å; D479-C509 PolarHBondContact O-N 3.01Å; D479-K580 HydrophobicContact CB-CD 3.86Å; D479-K580 VanDerWaalsContact CG-CD 3.49Å; D479-K580 WeakPolarHBondContact OD1-CD 3.19Å; D479-K580 IonicContact OD1-NZ 3.58Å; D479-K580 PolarHBondContact OD1-NZ 3.3Å; D479-F581 HydrophobicContact CB-CD1 4Å; D479-F581 HydrophobicContact CB-CE1 3.94Å
480	V	92.4	Very high	88.8	Confident	6 Å²	6	34.4 Å²	34.4	4%	0.036	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	128.6	-178.6	-179.3	0	0	0	0	109	A395 V407 V477 I506 I507 T508	A395-V480 HydrophobicContact CB-CB 4.35Å; A395-V480 HydrophobicContact CB-CG2 4Å; V407-V480 HydrophobicContact CB-CG1 4.48Å; V407-V480 HydrophobicContact CG1-CG1 3.51Å; V407-V480 HydrophobicContact CG2-CG1 4.16Å; V477-V480 HydrophobicContact CG1-CG2 3.56Å; V480-I506 HydrophobicContact CG1-CG2 3.64Å; V480-I507 WeakPolarHBondContact CA-O 3.33Å; V480-T508 HydrophobicContact CB-CG2 4.42Å; V480-T508 HydrophobicContact CG1-CG2 4.06Å; V480-T508 HydrophobicContact CG2-CG2 3.9Å
481	Q	91.5	Very high	88.7	Confident	27 Å²	27	30 Å²	30	13%	0.126	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.2	179.7	-57.9	-176.6	21.1	0	0	111.5	Q397 D479 I507 F581 F583	Q397-Q481 VanDerWaalsContact OE1-CA 3.28Å; D479-Q481 PolarHBondContact OD2-NE2 3.09Å; Q481-I507 PolarHBondContact N-O 3.06Å; Q481-I507 PolarHBondContact O-N 3.18Å; Q481-F581 HydrophobicContact CB-CE2 4.08Å; Q481-F581 HydrophobicContact CB-CZ 3.71Å; Q481-F581 HydrophobicContact CG-CE1 4.13Å; Q481-F581 HydrophobicContact CG-CE2 4.15Å; Q481-F581 HydrophobicContact CG-CZ 3.68Å; Q481-F581 PolarHBondContact NE2-O 2.92Å; Q481-F583 HydrophobicContact CB-CE1 3.97Å
482	W	90.8	Very high	88.5	Confident	3 Å²	3	33 Å²	33	1%	0.011	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	143.2	171.3	-73.1	92.8	0	0	0	111.4	Q397 F398 P400 I405 V407 S503 I506 V520	Q397-W482 PolarHBondContact O-NE1 3.21Å; F398-W482 VanDerWaalsContact C-NE1 3.34Å; F398-W482 PolarHBondContact O-NE1 3.07Å; P400-W482 HydrophobicContact CG-CB 4.12Å; I405-W482 HydrophobicContact CG2-CH2 4.01Å; I405-W482 HydrophobicContact CG2-CZ2 3.96Å; V407-W482 HydrophobicContact CB-CZ2 4.01Å; V407-W482 HydrophobicContact CG1-CZ2 4.06Å; W482-S503 WeakPolarHBondContact CZ3-O 3.36Å; W482-I506 HydrophobicContact CD2-CD1 4.26Å; W482-I506 HydrophobicContact CD2-CG1 4Å; W482-I506 HydrophobicContact CE3-CD1 4.06Å; W482-I506 HydrophobicContact CE3-CG1 3.62Å; W482-I506 HydrophobicContact CH2-CD1 3.56Å; W482-I506 HydrophobicContact CH2-CG1 4.05Å; W482-I506 HydrophobicContact CZ2-CD1 3.77Å; W482-I506 HydrophobicContact CZ2-CG1 4.39Å; W482-I506 HydrophobicContact CZ3-CD1 3.72Å; W482-I506 HydrophobicContact CZ3-CG1 3.64Å; W482-V520 HydrophobicContact CH2-CG2 4.19Å; W482-V520 HydrophobicContact CZ3-CG2 4.15Å
483	L	88.5	Confident	88	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-73.7	141.6	167.3	-85.1	166.2	0	0	0	110.9	F487 V489 S503 Q505 I507 F517 F583	L483-F487 HydrophobicContact CD2-CE2 3.73Å; L483-F487 HydrophobicContact CD2-CZ 3.64Å; L483-V489 HydrophobicContact CD1-CB 4.32Å; L483-V489 HydrophobicContact CD1-CG2 3.76Å; L483-V489 HydrophobicContact CD2-CG2 4.4Å; L483-S503 WeakPolarHBondContact O-CB 3.49Å; L483-S503 PolarHBondContact O-OG 3.06Å; L483-Q505 HydrophobicContact CB-CB 4.31Å; L483-Q505 HydrophobicContact CD1-CB 3.73Å; L483-Q505 PolarHBondContact N-O 3.03Å; L483-I507 HydrophobicContact CD1-CG1 4.38Å; L483-I507 HydrophobicContact CD2-CD1 4.01Å; L483-I507 HydrophobicContact CG-CD1 4.1Å; L483-I507 HydrophobicContact CG-CG1 4.17Å; L483-F517 HydrophobicContact CD1-CD1 4.11Å; L483-F517 HydrophobicContact CD1-CE1 4.17Å; L483-F583 HydrophobicContact CD2-CE2 3.94Å; L483-F583 HydrophobicContact CD2-CZ 4.13Å
484	P	83.6	Confident	87.6	Confident	4 Å²	4	34 Å²	34	3%	0.026	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-56.2	148.7	176.9	-28.5	35.7	0	0	0	113.2	T486 F487 F583	P484-T486 WeakPolarHBondContact CB-OG1 3.22Å; P484-T486 PolarHBondContact O-N 3.21Å; P484-F487 HydrophobicContact CB-CD1 4.49Å; P484-F487 HydrophobicContact CB-CE1 4.29Å; P484-F487 HydrophobicContact CG-CE1 4.03Å; P484-F487 PolarHBondContact O-N 2.9Å; P484-F487 VanDerWaalsContact O-O 3.13Å; P484-F583 HydrophobicContact CG-CE2 4.26Å
485	P	80.9	Confident	87.2	Confident	36 Å²	36	25.4 Å²	25.4	23%	0.234	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8	178.3	26.6	-34.3	0	0	0	114.1	N498 K501 S503	P485-N498 PolarHBondContact O-ND2 2.87Å; P485-K501 WeakPolarHBondContact CB-O 3.1Å; P485-K501 WeakPolarHBondContact O-CA 3.44Å; P485-S503 WeakPolarHBondContact CD-OG 3.47Å
486	T	79.6	Confident	86.8	Confident	69 Å²	69	24.6 Å²	24.6	42%	0.423	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-25.8	-177.7	43.4	0	0	0	0	113.5	P484 V586	P484-T486 WeakPolarHBondContact CB-OG1 3.22Å; P484-T486 PolarHBondContact O-N 3.21Å; T486-V586 PolarHBondContact OG1-O 2.92Å
487	F	84.4	Confident	86.3	Confident	3 Å²	3	28.1 Å²	28.1	1%	0.013	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	163.9	-179	72.1	-84.7	0	0	0	112.9	L483 P484 V489 P495 V496 I637 W655	L483-F487 HydrophobicContact CD2-CE2 3.73Å; L483-F487 HydrophobicContact CD2-CZ 3.64Å; P484-F487 HydrophobicContact CB-CD1 4.49Å; P484-F487 HydrophobicContact CB-CE1 4.29Å; P484-F487 HydrophobicContact CG-CE1 4.03Å; P484-F487 PolarHBondContact O-N 2.9Å; P484-F487 VanDerWaalsContact O-O 3.13Å; F487-V489 HydrophobicContact CD2-CG2 4.02Å; F487-V489 HydrophobicContact CE2-CG2 3.71Å; F487-P495 HydrophobicContact CD2-CB 4Å; F487-P495 HydrophobicContact CE2-CB 4.44Å; F487-V496 CarbonylContact C-O 3.58Å; F487-V496 VanDerWaalsContact CA-O 3.29Å; F487-V496 WeakPolarHBondContact CA-O 3.32Å; F487-V496 WeakPolarHBondContact CB-O 3.48Å; F487-I637 HydrophobicContact CB-CD1 3.43Å; F487-I637 VanDerWaalsContact CB-CD1 3.43Å; F487-I637 HydrophobicContact CD1-CD1 3.85Å; F487-I637 HydrophobicContact CD1-CG2 4.13Å; F487-I637 HydrophobicContact CD2-CD1 4.35Å; F487-I637 HydrophobicContact CD2-CG2 4.25Å; F487-I637 HydrophobicContact CE1-CG2 3.96Å; F487-I637 HydrophobicContact CE2-CG2 4.09Å; F487-I637 HydrophobicContact CG-CD1 3.65Å; F487-I637 HydrophobicContact CG-CG2 4.27Å; F487-I637 HydrophobicContact CZ-CG2 3.93Å; F487-W655 HydrophobicContact CE2-CZ2 4.2Å; F487-W655 HydrophobicContact CZ-CZ2 4.39Å
488	E	85.8	Confident	85.6	Confident	14 Å²	14	28.3 Å²	28.3	7%	0.065	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	158.3	169	63.4	178.6	176	0	0	109.7	P495 V496 R521	E488-P495 WeakPolarHBondContact O-CA 3.25Å; E488-V496 HydrophobicContact CG-CB 4.14Å; E488-V496 HydrophobicContact CG-CG1 4.32Å; E488-V496 PolarHBondContact N-O 3.34Å; E488-V496 PolarHBondContact O-N 3.32Å; E488-R521 IonicContact OE2-CZ 2.77Å; E488-R521 IonicContact OE2-NH1 3.17Å; E488-R521 PolarHBondContact OE2-NH1 3.32Å; E488-R521 IonicContact OE2-NH2 2.92Å; E488-R521 PolarHBondContact OE2-NH2 2.8Å
489	V	87.4	Confident	84.9	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.9	-180	-174.7	0	0	0	0	109.4	L483 F487 Q505 F517 F563	L483-V489 HydrophobicContact CD1-CB 4.32Å; L483-V489 HydrophobicContact CD1-CG2 3.76Å; L483-V489 HydrophobicContact CD2-CG2 4.4Å; F487-V489 HydrophobicContact CD2-CG2 4.02Å; F487-V489 HydrophobicContact CE2-CG2 3.71Å; V489-Q505 PolarHBondContact O-NE2 3.48Å; V489-Q505 PolarHBondContact O-OE1 2.6Å; V489-F517 HydrophobicContact CB-CD1 4.39Å; V489-F517 HydrophobicContact CB-CE1 4.41Å; V489-F517 HydrophobicContact CG1-CD1 4.45Å; V489-F517 HydrophobicContact CG1-CE1 4.33Å; V489-F517 HydrophobicContact CG2-CE1 4.3Å; V489-F563 HydrophobicContact CG1-CE1 3.82Å; V489-F563 HydrophobicContact CG1-CZ 3.74Å
490	T	85.9	Confident	83.9	Confident	32 Å²	32	36.3 Å²	36.3	20%	0.196	19%	0.185	C	C	.	.			trans	-75.1	169.2	177	61.7	0	0	0	0	112	L492 G493 L494 V496 F563 L631	T490-L492 PolarHBondContact O-N 3.49Å; T490-G493 PolarHBondContact O-N 3.06Å; T490-L494 PolarHBondContact N-O 2.87Å; T490-L494 WeakPolarHBondContact OG1-CB 3.11Å; T490-L494 PolarHBondContact OG1-N 3.15Å; T490-L494 VanDerWaalsContact OG1-N 3.16Å; T490-L494 PolarHBondContact OG1-O 2.64Å; T490-L494 VanDerWaalsContact OG1-O 3.07Å; T490-V496 HydrophobicContact CG2-CG2 3.72Å; T490-F563 VanDerWaalsContact O-CE1 3.31Å; T490-F563 WeakPolarHBondContact O-CE1 3.42Å; T490-L631 HydrophobicContact CG2-CD1 4.21Å
491	I	83.7	Confident	83.3	Confident	113 Å²	113	43.1 Å²	43.1	58%	0.579	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.6	176.6	-60.2	171.3	0	0	0	112.7
492	L	82.4	Confident	82.9	Confident	86 Å²	86	42.4 Å²	42.4	45%	0.45	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.3	175.8	-60.4	177.9	0	0	0	113.7	T490 L494 M657 P665	T490-L492 PolarHBondContact O-N 3.49Å; L492-L494 VanDerWaalsContact C-N 3.26Å; L492-L494 HydrophobicContact CB-CD1 4.28Å; L492-L494 HydrophobicContact CB-CG 4.18Å; L492-L494 HydrophobicContact CD1-CD1 4.4Å; L492-L494 PolarHBondContact O-N 2.75Å; L492-M657 WeakPolarHBondContact O-CB 3.35Å; L492-M657 PolarHBondContact O-N 3.25Å; L492-P665 HydrophobicContact CD2-CB 4.15Å; L492-P665 HydrophobicContact CD2-CG 4.44Å
493	G	81.8	Confident	82.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	76.9	4.9	-175.3	0	0	0	0	0	114.9	T490 W655	T490-G493 PolarHBondContact O-N 3.06Å; G493-W655 PolarHBondContact O-NE1 2.89Å
494	L	85	Confident	82.5	Confident	29 Å²	29	42.3 Å²	42.3	15%	0.152	21%	0.212	C	C	.	.			trans	-77.1	132.2	178.2	-54.5	169.3	0	0	0	110.9	T490 L492 K656	T490-L494 PolarHBondContact N-O 2.87Å; T490-L494 WeakPolarHBondContact OG1-CB 3.11Å; T490-L494 PolarHBondContact OG1-N 3.15Å; T490-L494 VanDerWaalsContact OG1-N 3.16Å; T490-L494 PolarHBondContact OG1-O 2.64Å; T490-L494 VanDerWaalsContact OG1-O 3.07Å; L492-L494 VanDerWaalsContact C-N 3.26Å; L492-L494 HydrophobicContact CB-CD1 4.28Å; L492-L494 HydrophobicContact CB-CG 4.18Å; L492-L494 HydrophobicContact CD1-CD1 4.4Å; L492-L494 PolarHBondContact O-N 2.75Å; L494-K656 HydrophobicContact CD2-CD 3.85Å; L494-K656 HydrophobicContact CD2-CG 4.14Å
495	P	85.6	Confident	82.9	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.058	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.8	175.7	33	-34.1	0	0	0	112.1	F487 E488 M634 I637 T639	F487-P495 HydrophobicContact CD2-CB 4Å; F487-P495 HydrophobicContact CE2-CB 4.44Å; E488-P495 WeakPolarHBondContact O-CA 3.25Å; P495-M634 PolarHBondContact O-N 3.3Å; P495-I637 HydrophobicContact CB-CB 4.14Å; P495-I637 HydrophobicContact CB-CD1 4.39Å; P495-I637 HydrophobicContact CB-CG2 4.06Å; P495-I637 HydrophobicContact CG-CB 4.16Å; P495-I637 HydrophobicContact CG-CG2 4.41Å; P495-T639 HydrophobicContact CG-CG2 3.85Å
496	V	84.5	Confident	83.5	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.1	-176.7	167.8	0	0	0	0	110.2	F487 E488 T490 N498 L631	F487-V496 CarbonylContact C-O 3.58Å; F487-V496 VanDerWaalsContact CA-O 3.29Å; F487-V496 WeakPolarHBondContact CA-O 3.32Å; F487-V496 WeakPolarHBondContact CB-O 3.48Å; E488-V496 HydrophobicContact CG-CB 4.14Å; E488-V496 HydrophobicContact CG-CG1 4.32Å; E488-V496 PolarHBondContact N-O 3.34Å; E488-V496 PolarHBondContact O-N 3.32Å; T490-V496 HydrophobicContact CG2-CG2 3.72Å; V496-N498 PolarHBondContact O-N 3.23Å; V496-L631 HydrophobicContact CG1-CB 3.84Å; V496-L631 HydrophobicContact CG1-CD1 4.15Å; V496-L631 HydrophobicContact CG1-CD2 4.13Å; V496-L631 HydrophobicContact CG1-CG 4.24Å; V496-L631 HydrophobicContact CG2-CB 3.97Å; V496-L631 HydrophobicContact CG2-CD1 4.23Å
497	E	80.4	Confident	84.2	Confident	112 Å²	112	37.6 Å²	37.6	52%	0.523	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	118.1	175.8	-173.3	-179.3	-171.9	0	0	112	K499 M634	E497-K499 PolarHBondContact O-N 3.35Å; E497-M634 VanDerWaalsContact CA-SD 3.5Å; E497-M634 HydrophobicContact CB-CG 4.37Å; E497-M634 HydrophobicContact CB-SD 3.7Å; E497-M634 HydrophobicContact CG-SD 4.35Å; E497-M634 PolarHBondContact N-SD 3.02Å
498	N	79.9	Confident	84.7	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	18%	0.181	C	C	.	.			trans	-77	93.5	178.5	-179.5	-15.4	0	0	0	110.4	P485 V496 Q500 K501 V502	P485-N498 PolarHBondContact O-ND2 2.87Å; V496-N498 PolarHBondContact O-N 3.23Å; N498-Q500 PolarHBondContact O-N 3.45Å; N498-Q500 VanDerWaalsContact O-N 3.09Å; N498-Q500 WeakPolarHBondContact OD1-CA 3.38Å; N498-Q500 WeakPolarHBondContact OD1-CB 3.33Å; N498-Q500 PolarHBondContact OD1-N 3.08Å; N498-K501 PolarHBondContact O-N 2.85Å; N498-K501 PolarHBondContact OD1-N 2.99Å; N498-K501 VanDerWaalsContact OD1-N 3.09Å; N498-V502 PolarHBondContact ND2-O 3.07Å
499	K	75.9	Confident	85.1	Confident	142 Å²	142	36.8 Å²	36.8	62%	0.617	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.1	177.5	-63.3	-176.2	-176.9	179.4	0	113.8	E497 E629	E497-K499 PolarHBondContact O-N 3.35Å; K499-E629 IonicContact NZ-OE2 2.71Å; K499-E629 PolarHBondContact NZ-OE2 2.96Å
500	Q	71.8	Confident	85.4	Confident	65 Å²	65	36.7 Å²	36.7	30%	0.304	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-20.1	-177.7	-71.1	167.1	-23	0	0	112.6	N498 V502 M624	N498-Q500 PolarHBondContact O-N 3.45Å; N498-Q500 VanDerWaalsContact O-N 3.09Å; N498-Q500 WeakPolarHBondContact OD1-CA 3.38Å; N498-Q500 WeakPolarHBondContact OD1-CB 3.33Å; N498-Q500 PolarHBondContact OD1-N 3.08Å; Q500-V502 PolarHBondContact O-N 3.48Å; Q500-M624 PolarHBondContact NE2-O 3.47Å
501	K	79.4	Confident	85.7	Confident	148 Å²	148	36.9 Å²	36.9	64%	0.643	18%	0.179	S	C	*	.			trans	55.3	32.5	-176.7	-59.3	-178.7	-178.7	175.5	0	114.3	P485 N498	P485-K501 WeakPolarHBondContact CB-O 3.1Å; P485-K501 WeakPolarHBondContact O-CA 3.44Å; N498-K501 PolarHBondContact O-N 2.85Å; N498-K501 PolarHBondContact OD1-N 2.99Å; N498-K501 VanDerWaalsContact OD1-N 3.09Å
502	V	82.7	Confident	86.1	Confident	13 Å²	13	32.8 Å²	32.8	8%	0.079	16%	0.158	C	C	.	.	S	Bend	trans	-128.6	136.3	-178.6	173.1	0	0	0	0	109.6	N498 Q500 V504 P618 Y620 L623	N498-V502 PolarHBondContact ND2-O 3.07Å; Q500-V502 PolarHBondContact O-N 3.48Å; V502-V504 HydrophobicContact CB-CG1 4.35Å; V502-V504 HydrophobicContact CG1-CG1 4.04Å; V502-V504 PolarHBondContact O-N 3.14Å; V502-P618 HydrophobicContact CG1-CB 4.47Å; V502-P618 HydrophobicContact CG1-CG 4.13Å; V502-P618 HydrophobicContact CG2-CB 3.73Å; V502-P618 HydrophobicContact CG2-CG 3.78Å; V502-Y620 HydrophobicContact CG1-CE1 4.11Å; V502-Y620 HydrophobicContact CG1-CE2 3.67Å; V502-Y620 VanDerWaalsContact CG1-CZ 3.43Å; V502-Y620 VanDerWaalsContact CG1-OH 3.28Å; V502-Y620 WeakPolarHBondContact CG1-OH 3.14Å; V502-L623 HydrophobicContact CG1-CD1 4.19Å
503	S	85.2	Confident	86.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.			trans	-65	100.9	172.8	-76.4	0	0	0	0	110.7	S401 W482 L483 P485 Y620	S401-S503 PolarHBondContact OG-N 3.5Å; W482-S503 WeakPolarHBondContact CZ3-O 3.36Å; L483-S503 WeakPolarHBondContact O-CB 3.49Å; L483-S503 PolarHBondContact O-OG 3.06Å; P485-S503 WeakPolarHBondContact CD-OG 3.47Å; S503-Y620 WeakPolarHBondContact O-CE1 3.32Å; S503-Y620 PolarHBondContact O-OH 2.91Å
504	V	86.7	Confident	87	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.148	C	C	.	.			trans	-113	-6.6	-176	-71	0	0	0	0	114	V502 V520 R521 Y620 L623	V502-V504 HydrophobicContact CB-CG1 4.35Å; V502-V504 HydrophobicContact CG1-CG1 4.04Å; V502-V504 PolarHBondContact O-N 3.14Å; V504-V520 PolarHBondContact O-N 3.22Å; V504-R521 HydrophobicContact CB-CG 4.01Å; V504-R521 HydrophobicContact CG1-CG 4.02Å; V504-Y620 HydrophobicContact CG1-CE1 4.38Å; V504-L623 HydrophobicContact CG1-CD1 3.79Å
505	Q	90.8	Very high	87.4	Confident	6 Å²	6	29.1 Å²	29.1	3%	0.028	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.8	-178.4	-70.7	179.7	-12.4	0	0	112.6	L483 V489 W518 D519 L562	L483-Q505 HydrophobicContact CB-CB 4.31Å; L483-Q505 HydrophobicContact CD1-CB 3.73Å; L483-Q505 PolarHBondContact N-O 3.03Å; V489-Q505 PolarHBondContact O-NE2 3.48Å; V489-Q505 PolarHBondContact O-OE1 2.6Å; Q505-W518 CarbonylContact C-O 3.55Å; Q505-W518 WeakPolarHBondContact CA-O 3.49Å; Q505-W518 WeakPolarHBondContact CB-O 3.33Å; Q505-D519 HydrophobicContact CG-CB 4.25Å; Q505-D519 VanDerWaalsContact CG-OD2 3.29Å; Q505-D519 WeakPolarHBondContact CG-OD2 3.44Å; Q505-D519 PolarHBondContact NE2-OD2 2.63Å; Q505-L562 HydrophobicContact CG-CD1 4.38Å
506	I	93.8	Very high	87.8	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.3	-170.3	-43.4	-178	0	0	0	109.5	V407 L417 V480 W482 F517 W518 V520 W559	V407-I506 HydrophobicContact CB-CD1 3.83Å; V407-I506 HydrophobicContact CG1-CD1 4.13Å; V407-I506 HydrophobicContact CG1-CG2 4.11Å; V407-I506 HydrophobicContact CG2-CD1 3.65Å; V407-I506 HydrophobicContact CG2-CG2 4.31Å; L417-I506 HydrophobicContact CD2-CD1 4.38Å; V480-I506 HydrophobicContact CG1-CG2 3.64Å; W482-I506 HydrophobicContact CD2-CD1 4.26Å; W482-I506 HydrophobicContact CD2-CG1 4Å; W482-I506 HydrophobicContact CE3-CD1 4.06Å; W482-I506 HydrophobicContact CE3-CG1 3.62Å; W482-I506 HydrophobicContact CH2-CD1 3.56Å; W482-I506 HydrophobicContact CH2-CG1 4.05Å; W482-I506 HydrophobicContact CZ2-CD1 3.77Å; W482-I506 HydrophobicContact CZ2-CG1 4.39Å; W482-I506 HydrophobicContact CZ3-CD1 3.72Å; W482-I506 HydrophobicContact CZ3-CG1 3.64Å; I506-F517 CarbonylContact O-C 3.55Å; I506-F517 WeakPolarHBondContact O-CA 3.43Å; I506-W518 HydrophobicContact CB-CB 4.46Å; I506-W518 PolarHBondContact N-O 3.3Å; I506-W518 PolarHBondContact O-N 3.28Å; I506-V520 HydrophobicContact CD1-CG2 3.89Å; I506-V520 HydrophobicContact CG1-CG2 4.26Å; I506-W559 HydrophobicContact CD1-CH2 4.02Å; I506-W559 HydrophobicContact CD1-CZ2 4.14Å
507	I	94.3	Very high	88.3	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.015	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.6	172.8	-51.2	175.6	0	0	0	108.7	V480 Q481 L483 L515 R516 F517 F581 F583	V480-I507 WeakPolarHBondContact CA-O 3.33Å; Q481-I507 PolarHBondContact N-O 3.06Å; Q481-I507 PolarHBondContact O-N 3.18Å; L483-I507 HydrophobicContact CD1-CG1 4.38Å; L483-I507 HydrophobicContact CD2-CD1 4.01Å; L483-I507 HydrophobicContact CG-CD1 4.1Å; L483-I507 HydrophobicContact CG-CG1 4.17Å; I507-L515 HydrophobicContact CG2-CD2 4.1Å; I507-R516 WeakPolarHBondContact CA-O 3.18Å; I507-F517 HydrophobicContact CD1-CD1 4.23Å; I507-F517 HydrophobicContact CD1-CE1 3.49Å; I507-F517 VanDerWaalsContact CD1-CE1 3.49Å; I507-F517 HydrophobicContact CD1-CE2 4.46Å; I507-F517 HydrophobicContact CD1-CZ 3.62Å; I507-F517 HydrophobicContact CG1-CD1 3.8Å; I507-F517 HydrophobicContact CG1-CE1 3.58Å; I507-F517 HydrophobicContact CG1-CE2 4.41Å; I507-F517 HydrophobicContact CG1-CG 4.32Å; I507-F517 HydrophobicContact CG1-CZ 3.91Å; I507-F517 HydrophobicContact CG2-CE2 4.25Å; I507-F517 HydrophobicContact CG2-CZ 4.4Å; I507-F581 HydrophobicContact CB-CE2 3.84Å; I507-F581 HydrophobicContact CB-CZ 3.72Å; I507-F581 HydrophobicContact CD1-CE2 4.31Å; I507-F581 HydrophobicContact CG2-CD2 4.45Å; I507-F581 HydrophobicContact CG2-CE1 4.44Å; I507-F581 HydrophobicContact CG2-CE2 3.55Å; I507-F581 HydrophobicContact CG2-CZ 3.55Å; I507-F583 HydrophobicContact CD1-CD1 4.2Å; I507-F583 HydrophobicContact CD1-CE1 4Å; I507-F583 HydrophobicContact CD1-CZ 4.4Å
508	T	94.8	Very high	88.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.4	174.5	60	0	0	0	0	112	I415 H473 V477 V480 L515 R516 W518	I415-T508 HydrophobicContact CD1-CG2 3.46Å; I415-T508 VanDerWaalsContact CD1-CG2 3.46Å; I415-T508 HydrophobicContact CG1-CG2 4.06Å; H473-T508 PolarHBondContact NE2-OG1 3.46Å; V477-T508 HydrophobicContact CG1-CG2 4.25Å; V480-T508 HydrophobicContact CB-CG2 4.42Å; V480-T508 HydrophobicContact CG1-CG2 4.06Å; V480-T508 HydrophobicContact CG2-CG2 3.9Å; T508-L515 CarbonylContact O-C 3.53Å; T508-L515 WeakPolarHBondContact O-CA 3.19Å; T508-R516 PolarHBondContact N-O 3.43Å; T508-R516 PolarHBondContact O-N 3.19Å; T508-W518 PolarHBondContact OG1-NE1 3.27Å
509	C	94.4	Very high	89.3	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143	-177.1	-179.4	0	0	0	0	110	V477 T478 D479 L515 F581	V477-C509 CarbonylContact C-O 3.57Å; V477-C509 WeakPolarHBondContact CA-O 3.3Å; T478-C509 PolarHBondContact N-O 2.91Å; T478-C509 PolarHBondContact OG1-O 2.63Å; D479-C509 HydrophobicContact CB-CB 4.06Å; D479-C509 PolarHBondContact N-O 3.32Å; D479-C509 PolarHBondContact O-N 3.01Å; C509-L515 HydrophobicContact CB-CG 4.23Å; C509-F581 HydrophobicContact CB-CD1 3.46Å; C509-F581 VanDerWaalsContact CB-CD1 3.46Å; C509-F581 HydrophobicContact CB-CE1 3.63Å
510	S	94.7	Very high	89.9	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.			trans	-156.1	151.6	-175.8	179.1	0	0	0	0	111.8	H473 A475 P476 D512 P578	H473-S510 WeakPolarHBondContact ND1-CB 3.43Å; A475-S510 VanDerWaalsContact C-OG 3.27Å; A475-S510 PolarHBondContact O-OG 2.89Å; P476-S510 WeakPolarHBondContact O-CA 3.35Å; P476-S510 WeakPolarHBondContact O-CB 3.38Å; P476-S510 PolarHBondContact O-OG 3.41Å; S510-D512 PolarHBondContact O-N 3.16Å; S510-D512 PolarHBondContact OG-N 2.64Å; S510-P578 CarbonylContact C-O 3.57Å; S510-P578 WeakPolarHBondContact O-CD 3.22Å; S510-P578 VanDerWaalsContact O-CG 3.26Å; S510-P578 WeakPolarHBondContact O-CG 3.35Å
511	P	91.9	Very high	90.5	Very high	37 Å²	37	15.9 Å²	15.9	24%	0.24	8%	0.079	C	C	.	.	S	Bend	trans	-59.2	-1.1	170.2	-26.5	37.5	0	0	0	115.8	A475 P476 T478 C513 V577 M579	A475-P511 HydrophobicContact CB-CB 4.13Å; P476-P511 WeakPolarHBondContact O-CD 3.25Å; T478-P511 HydrophobicContact CG2-CG 3.94Å; P511-C513 PolarHBondContact O-N 2.95Å; P511-V577 HydrophobicContact CB-CG1 3.63Å; P511-V577 HydrophobicContact CG-CG1 4.49Å; P511-M579 HydrophobicContact CG-SD 3.96Å
512	D	91.6	Very high	90.2	Very high	27 Å²	27	11 Å²	11	14%	0.144	6%	0.06	C	C	.	.	S	Bend	trans	-75.9	23.6	171.5	83.6	-14.6	0	0	0	114.5	H473 K474 A475 S510 T514 R516	H473-D512 VanDerWaalsContact CA-OD2 3.32Å; H473-D512 WeakPolarHBondContact CA-OD2 3.36Å; H473-D512 IonicContact CE1-OD1 2.71Å; H473-D512 IonicContact CG-OD1 2.61Å; H473-D512 IonicContact CG-OD2 3.54Å; H473-D512 IonicContact ND1-OD1 2.71Å; H473-D512 PolarHBondContact ND1-OD1 3.33Å; H473-D512 IonicContact ND1-OD2 3.35Å; H473-D512 PolarHBondContact ND1-OD2 3.15Å; K474-D512 HydrophobicContact CB-CB 3.98Å; K474-D512 PolarHBondContact N-OD2 3.17Å; A475-D512 HydrophobicContact CB-CB 4.01Å; S510-D512 PolarHBondContact O-N 3.16Å; S510-D512 PolarHBondContact OG-N 2.64Å; D512-T514 PolarHBondContact O-N 2.99Å; D512-T514 VanDerWaalsContact O-N 3.12Å; D512-T514 PolarHBondContact OD1-N 3.34Å; D512-T514 PolarHBondContact OD1-OG1 3.49Å; D512-R516 IonicContact OD2-CZ 2.62Å; D512-R516 IonicContact OD2-NH2 2.6Å; D512-R516 PolarHBondContact OD2-NH2 2.8Å
513	C	92.1	Very high	89.5	Confident	20 Å²	20	14 Å²	14	14%	0.135	8%	0.079	C	C	.	.	S	Bend	trans	61.3	8	-178.4	-60	0	0	0	0	115.7	P511 L567 E575	P511-C513 PolarHBondContact O-N 2.95Å; C513-L567 PolarHBondContact O-N 3.4Å; C513-E575 HydrophobicContact CB-CB 3.71Å; C513-E575 HydrophobicContact CB-CG 4.43Å; C513-E575 VanDerWaalsContact CB-OE2 3.26Å; C513-E575 WeakPolarHBondContact CB-OE2 3.5Å
514	T	91.9	Very high	87.9	Confident	16 Å²	16	16.8 Å²	16.8	10%	0.098	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.9	-177.1	70.1	0	0	0	0	114.1	H473 D512 R516 V565	H473-T514 PolarHBondContact CE1-O 2.82Å; H473-T514 PolarHBondContact CE1-OG1 3.41Å; H473-T514 PolarHBondContact ND1-OG1 2.85Å; D512-T514 PolarHBondContact O-N 2.99Å; D512-T514 VanDerWaalsContact O-N 3.12Å; D512-T514 PolarHBondContact OD1-N 3.34Å; D512-T514 PolarHBondContact OD1-OG1 3.49Å; T514-R516 PolarHBondContact OG1-NE 2.59Å; T514-V565 WeakPolarHBondContact CA-O 3.43Å
515	L	93.9	Very high	85.8	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	147.9	151.5	-76.1	78.2	0	0	0	108.9	I507 T508 C509 R564 V565 L567 P578 F581 F641	I507-L515 HydrophobicContact CG2-CD2 4.1Å; T508-L515 CarbonylContact O-C 3.53Å; T508-L515 WeakPolarHBondContact O-CA 3.19Å; C509-L515 HydrophobicContact CB-CG 4.23Å; L515-R564 WeakPolarHBondContact O-CA 3.28Å; L515-V565 HydrophobicContact CB-CB 4.36Å; L515-V565 PolarHBondContact N-O 3.17Å; L515-V565 PolarHBondContact O-N 3.45Å; L515-L567 HydrophobicContact CD1-CD1 3.79Å; L515-L567 HydrophobicContact CD1-CG 4.33Å; L515-P578 HydrophobicContact CD1-CB 4.26Å; L515-P578 HydrophobicContact CD1-CG 4.17Å; L515-F581 HydrophobicContact CD2-CB 4.17Å; L515-F581 HydrophobicContact CD2-CD1 4.27Å; L515-F581 HydrophobicContact CD2-CD2 3.96Å; L515-F581 HydrophobicContact CD2-CE2 4.42Å; L515-F581 HydrophobicContact CD2-CG 3.88Å; L515-F641 HydrophobicContact CD1-CE2 4.24Å; L515-F641 HydrophobicContact CD2-CD2 4.1Å; L515-F641 HydrophobicContact CD2-CE2 3.53Å; L515-F641 HydrophobicContact CD2-CZ 4.26Å
516	R	93.6	Very high	83.1	Confident	28 Å²	28	31.4 Å²	31.4	11%	0.106	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.8	-178.5	-62.6	-178.9	-167.3	-163.7	13.8	111	S471 S472 H473 I507 T508 D512 T514 W518 P561 R564	S471-R516 PolarHBondContact O-NH1 3.11Å; S472-R516 VanDerWaalsContact O-CZ 3.32Å; S472-R516 PolarHBondContact O-NH1 2.92Å; S472-R516 PolarHBondContact O-NH2 2.71Å; H473-R516 VanDerWaalsContact CE1-CD 3.48Å; H473-R516 WeakPolarHBondContact CE1-CD 3.34Å; H473-R516 PolarHBondContact ND1-NE 3.21Å; I507-R516 WeakPolarHBondContact CA-O 3.18Å; T508-R516 PolarHBondContact N-O 3.43Å; T508-R516 PolarHBondContact O-N 3.19Å; D512-R516 IonicContact OD2-CZ 2.62Å; D512-R516 IonicContact OD2-NH2 2.6Å; D512-R516 PolarHBondContact OD2-NH2 2.8Å; T514-R516 PolarHBondContact OG1-NE 2.59Å; R516-W518 HydrophobicContact CB-CZ2 4.19Å; R516-W518 PolarHBondContact O-NE1 2.89Å; R516-P561 HydrophobicContact CB-CB 4.08Å; R516-R564 HydrophobicContact CG-CB 4.34Å
517	F	93.8	Very high	80.2	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.4	178.9	-74.3	-113.6	0	0	0	109	L483 V489 I506 I507 P561 L562 F563 V565 W655	L483-F517 HydrophobicContact CD1-CD1 4.11Å; L483-F517 HydrophobicContact CD1-CE1 4.17Å; V489-F517 HydrophobicContact CB-CD1 4.39Å; V489-F517 HydrophobicContact CB-CE1 4.41Å; V489-F517 HydrophobicContact CG1-CD1 4.45Å; V489-F517 HydrophobicContact CG1-CE1 4.33Å; V489-F517 HydrophobicContact CG2-CE1 4.3Å; I506-F517 CarbonylContact O-C 3.55Å; I506-F517 WeakPolarHBondContact O-CA 3.43Å; I507-F517 HydrophobicContact CD1-CD1 4.23Å; I507-F517 HydrophobicContact CD1-CE1 3.49Å; I507-F517 VanDerWaalsContact CD1-CE1 3.49Å; I507-F517 HydrophobicContact CD1-CE2 4.46Å; I507-F517 HydrophobicContact CD1-CZ 3.62Å; I507-F517 HydrophobicContact CG1-CD1 3.8Å; I507-F517 HydrophobicContact CG1-CE1 3.58Å; I507-F517 HydrophobicContact CG1-CE2 4.41Å; I507-F517 HydrophobicContact CG1-CG 4.32Å; I507-F517 HydrophobicContact CG1-CZ 3.91Å; I507-F517 HydrophobicContact CG2-CE2 4.25Å; I507-F517 HydrophobicContact CG2-CZ 4.4Å; F517-P561 CarbonylContact O-C 3.59Å; F517-P561 WeakPolarHBondContact O-CA 3.28Å; F517-P561 WeakPolarHBondContact O-CB 3.27Å; F517-L562 PolarHBondContact O-N 2.69Å; F517-F563 HydrophobicContact CB-CD1 3.93Å; F517-F563 HydrophobicContact CB-CE1 3.58Å; F517-F563 HydrophobicContact CB-CZ 3.92Å; F517-F563 AromaticContact CD1-CE1 3.82Å; F517-F563 HydrophobicContact CD1-CE1 3.82Å; F517-F563 AromaticContact CD1-CZ 3.58Å; F517-F563 HydrophobicContact CD1-CZ 3.58Å; F517-F563 HydrophobicContact CD2-CD2 4.19Å; F517-F563 AromaticContact CD2-CE1 3.98Å; F517-F563 HydrophobicContact CD2-CE1 3.98Å; F517-F563 AromaticContact CD2-CE2 3.5Å; F517-F563 HydrophobicContact CD2-CE2 3.5Å; F517-F563 VanDerWaalsContact CD2-CE2 3.5Å; F517-F563 AromaticContact CD2-CZ 3.37Å; F517-F563 HydrophobicContact CD2-CZ 3.37Å; F517-F563 HydrophobicContact CE1-CE1 4.49Å; F517-F563 AromaticContact CE1-CZ 3.85Å; F517-F563 HydrophobicContact CE1-CZ 3.85Å; F517-F563 AromaticContact CE2-CE2 3.72Å; F517-F563 HydrophobicContact CE2-CE2 3.72Å; F517-F563 AromaticContact CE2-CZ 3.68Å; F517-F563 HydrophobicContact CE2-CZ 3.68Å; F517-F563 HydrophobicContact CG-CD1 4.27Å; F517-F563 AromaticContact CG-CE1 3.53Å; F517-F563 HydrophobicContact CG-CE1 3.53Å; F517-F563 AromaticContact CG-CE2 3.96Å; F517-F563 HydrophobicContact CG-CE2 3.96Å; F517-F563 AromaticContact CG-CZ 3.33Å; F517-F563 HydrophobicContact CG-CZ 3.33Å; F517-F563 HydrophobicContact CZ-CE2 4.31Å; F517-F563 AromaticContact CZ-CZ 3.91Å; F517-F563 HydrophobicContact CZ-CZ 3.91Å; F517-F563 PolarHBondContact N-O 3.19Å; F517-V565 HydrophobicContact CD2-CG2 4.43Å; F517-V565 HydrophobicContact CE2-CG2 3.95Å; F517-W655 HydrophobicContact CE1-CD2 4.42Å; F517-W655 HydrophobicContact CE1-CG 4.41Å; F517-W655 HydrophobicContact CE2-CB 4.1Å; F517-W655 HydrophobicContact CE2-CG 4.39Å; F517-W655 HydrophobicContact CZ-CB 3.85Å; F517-W655 AromaticContact CZ-CD2 3.85Å; F517-W655 HydrophobicContact CZ-CD2 3.85Å; F517-W655 HydrophobicContact CZ-CE3 4.24Å; F517-W655 AromaticContact CZ-CG 3.67Å; F517-W655 HydrophobicContact CZ-CG 3.67Å
518	W	92.6	Very high	77.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.9	-174.6	-54.1	80.3	0	0	0	109.9	I415 S471 Q505 I506 T508 R516 W559 K560 P561	I415-W518 HydrophobicContact CD1-CD2 3.65Å; I415-W518 HydrophobicContact CD1-CE3 4.22Å; I415-W518 HydrophobicContact CD1-CG 4.13Å; I415-W518 HydrophobicContact CD1-CH2 3.95Å; I415-W518 HydrophobicContact CD1-CZ2 3.34Å; I415-W518 HydrophobicContact CD1-CZ3 4.34Å; I415-W518 VanDerWaalsContact CD1-NE1 3.29Å; S471-W518 WeakPolarHBondContact O-CH2 3.11Å; Q505-W518 CarbonylContact C-O 3.55Å; Q505-W518 WeakPolarHBondContact CA-O 3.49Å; Q505-W518 WeakPolarHBondContact CB-O 3.33Å; I506-W518 HydrophobicContact CB-CB 4.46Å; I506-W518 PolarHBondContact N-O 3.3Å; I506-W518 PolarHBondContact O-N 3.28Å; T508-W518 PolarHBondContact OG1-NE1 3.27Å; R516-W518 HydrophobicContact CB-CZ2 4.19Å; R516-W518 PolarHBondContact O-NE1 2.89Å; W518-W559 HydrophobicContact CB-CZ2 3.84Å; W518-W559 HydrophobicContact CE3-CD2 4.09Å; W518-W559 HydrophobicContact CE3-CG 4.16Å; W518-K560 VanDerWaalsContact CE3-C 3.46Å; W518-K560 VanDerWaalsContact CZ3-C 3.49Å; W518-P561 HydrophobicContact CD2-CB 4.03Å; W518-P561 HydrophobicContact CE3-CB 4.23Å; W518-P561 HydrophobicContact CH2-CB 4.21Å; W518-P561 HydrophobicContact CH2-CG 4.17Å; W518-P561 HydrophobicContact CZ2-CB 3.99Å; W518-P561 HydrophobicContact CZ2-CG 4.28Å; W518-P561 HydrophobicContact CZ3-CB 4.33Å; W518-P561 HydrophobicContact CZ3-CG 4.45Å
519	D	89.6	Confident	73.8	Confident	13 Å²	13	50.8 Å²	50.8	7%	0.07	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.8	175.5	-151.3	-61.2	0	0	0	109.8	Q505 R521 W559 L562	Q505-D519 HydrophobicContact CG-CB 4.25Å; Q505-D519 VanDerWaalsContact CG-OD2 3.29Å; Q505-D519 WeakPolarHBondContact CG-OD2 3.44Å; Q505-D519 PolarHBondContact NE2-OD2 2.63Å; D519-R521 VanDerWaalsContact OD1-CB 3.3Å; D519-R521 WeakPolarHBondContact OD1-CB 3.25Å; D519-R521 WeakPolarHBondContact OD1-CG 3.48Å; D519-R521 IonicContact OD1-CZ 2.95Å; D519-R521 PolarHBondContact OD1-N 3.01Å; D519-R521 VanDerWaalsContact OD1-N 3.11Å; D519-R521 IonicContact OD1-NE 2.88Å; D519-R521 PolarHBondContact OD1-NE 2.61Å; D519-R521 IonicContact OD1-NH2 3.11Å; D519-R521 IonicContact OD2-CZ 3.14Å; D519-R521 IonicContact OD2-NE 2.85Å; D519-R521 PolarHBondContact OD2-NE 2.82Å; D519-R521 IonicContact OD2-NH2 3.65Å; D519-R521 PolarHBondContact OD2-NH2 2.92Å; D519-W559 PolarHBondContact O-NE1 2.93Å; D519-L562 HydrophobicContact CB-CD1 3.97Å; D519-L562 HydrophobicContact CB-CD2 3.95Å; D519-L562 HydrophobicContact CB-CG 4.01Å
520	V	88.2	Confident	70.9	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.012	33%	0.329	C	S	.	.			trans	-93.8	-14.4	-175.3	178.6	0	0	0	0	111.8	L417 W482 V504 I506 F552 H554 L555 W559 Y620	L417-V520 HydrophobicContact CD1-CG1 4.2Å; W482-V520 HydrophobicContact CH2-CG2 4.19Å; W482-V520 HydrophobicContact CZ3-CG2 4.15Å; V504-V520 PolarHBondContact O-N 3.22Å; I506-V520 HydrophobicContact CD1-CG2 3.89Å; I506-V520 HydrophobicContact CG1-CG2 4.26Å; V520-F552 HydrophobicContact CG1-CD1 3.61Å; V520-F552 HydrophobicContact CG1-CE1 3.18Å; V520-F552 HydrophobicContact CG1-CZ 3.83Å; V520-H554 PolarHBondContact O-NE2 2.92Å; V520-H554 VanDerWaalsContact O-NE2 3.09Å; V520-L555 HydrophobicContact CG1-CD1 4.11Å; V520-W559 HydrophobicContact CG2-CZ2 4.02Å; V520-Y620 HydrophobicContact CG1-CD1 4.14Å
521	R	84.1	Confident	67.8	Low	13 Å²	13	62.7 Å²	62.7	5%	0.049	36%	0.364	C	S	.	.	S	Bend	trans	-72.4	160.3	-171.4	-68.8	176.7	-70.4	-172.8	2.8	114.4	E488 V504 D519 L623 L625	E488-R521 IonicContact OE2-CZ 2.77Å; E488-R521 IonicContact OE2-NH1 3.17Å; E488-R521 PolarHBondContact OE2-NH1 3.32Å; E488-R521 IonicContact OE2-NH2 2.92Å; E488-R521 PolarHBondContact OE2-NH2 2.8Å; V504-R521 HydrophobicContact CB-CG 4.01Å; V504-R521 HydrophobicContact CG1-CG 4.02Å; D519-R521 VanDerWaalsContact OD1-CB 3.3Å; D519-R521 WeakPolarHBondContact OD1-CB 3.25Å; D519-R521 WeakPolarHBondContact OD1-CG 3.48Å; D519-R521 IonicContact OD1-CZ 2.95Å; D519-R521 PolarHBondContact OD1-N 3.01Å; D519-R521 VanDerWaalsContact OD1-N 3.11Å; D519-R521 IonicContact OD1-NE 2.88Å; D519-R521 PolarHBondContact OD1-NE 2.61Å; D519-R521 IonicContact OD1-NH2 3.11Å; D519-R521 IonicContact OD2-CZ 3.14Å; D519-R521 IonicContact OD2-NE 2.85Å; D519-R521 PolarHBondContact OD2-NE 2.82Å; D519-R521 IonicContact OD2-NH2 3.65Å; D519-R521 PolarHBondContact OD2-NH2 2.92Å; R521-L623 WeakPolarHBondContact CA-O 3.37Å; R521-L623 WeakPolarHBondContact CB-O 3.23Å; R521-L623 HydrophobicContact CG-CB 3.92Å; R521-L625 HydrophobicContact CB-CD2 3.93Å; R521-L625 HydrophobicContact CB-CG 4.16Å
522	L	74.4	Confident	64.9	Low	45 Å²	45	70 Å²	70	24%	0.236	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-68.4	129.7	175.1	-82.4	164.4	0	0	0	111.4	A524 H554 S621 L623 M624 L625	L522-A524 PolarHBondContact O-N 2.88Å; L522-H554 HydrophobicContact CD2-CB 3.73Å; L522-H554 VanDerWaalsContact CD2-CG 3.41Å; L522-S621 WeakPolarHBondContact CD1-O 3.33Å; L522-L623 PolarHBondContact N-O 2.87Å; L522-M624 HydrophobicContact CB-CE 3.8Å; L522-M624 HydrophobicContact CB-SD 3.49Å; L522-M624 WeakPolarHBondContact CB-SD 3.47Å; L522-M624 HydrophobicContact CD1-SD 3.72Å; L522-M624 HydrophobicContact CG-SD 4.25Å; L522-L625 PolarHBondContact O-N 3.43Å
523	P	66.6	Low	61.9	Low	76 Å²	76	73.6 Å²	73.6	49%	0.494	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-57.2	135.4	171.1	-25.5	35	0	0	0	112.1	V525 M624	P523-V525 PolarHBondContact O-N 2.87Å; P523-M624 WeakPolarHBondContact O-CE 3.12Å
524	A	52.1	Low	58.7	Low	59 Å²	59	79 Å²	79	49%	0.488	46%	0.455	S	S	.	.	S	Bend	trans	-68.7	10.3	-173.9	0	0	0	0	0	115.8	L522 L625	L522-A524 PolarHBondContact O-N 2.88Å; A524-L625 HydrophobicContact CB-CB 4.5Å
525	V	43	Very low	55.7	Low	117 Å²	117	84.2 Å²	84.2	71%	0.709	49%	0.489	S	S	*	.			trans	-143.3	97.3	-178.2	-176.4	0	0	0	0	110.2	P523	P523-V525 PolarHBondContact O-N 2.87Å
526	F	34.9	Very low	52.3	Low	200 Å²	200	88.7 Å²	88.7	88%	0.877	53%	0.527	S	S	*	.			trans	-160	26.6	150.7	-113	-62.5	0	0	0	115.7	N528	F526-N528 PolarHBondContact O-N 3.09Å
527	T	31.7	Very low	49.5	Very low	133 Å²	133	93.1 Å²	93.1	82%	0.816	56%	0.556	S	S	*	*			trans	-88	87.1	167.7	43.8	0	0	0	0	111
528	N	30.2	Very low	46.2	Very low	157 Å²	157	100.8 Å²	100.8	84%	0.84	60%	0.597	S	S	*	*			trans	-178.6	73.6	152.3	-95.4	-23.7	0	0	0	113.3	F526	F526-N528 PolarHBondContact O-N 3.09Å
529	T	25.7	Very low	43.2	Very low	119 Å²	119	108 Å²	108	73%	0.73	63%	0.631	S	S	*	*			trans	-140.4	117.9	145.9	40.5	0	0	0	0	108.5	T531	T529-T531 PolarHBondContact O-N 2.62Å
530	P	33.3	Very low	40.1	Very low	129 Å²	129	116.7 Å²	116.7	84%	0.838	67%	0.668	S	S	*	*			trans	-83.4	99.2	173.9	31.5	-30.5	0	0	0	109.4	E532	P530-E532 PolarHBondContact O-N 3.36Å
531	T	28.5	Very low	37	Very low	121 Å²	121	123.6 Å²	123.6	74%	0.742	71%	0.71	S	S	*	*			trans	-86.4	95.4	175.5	-34	0	0	0	0	110	T529 S533	T529-T531 PolarHBondContact O-N 2.62Å; T531-S533 PolarHBondContact O-N 3.28Å
532	E	31.6	Very low	34.3	Very low	190 Å²	190	128.3 Å²	128.3	89%	0.888	74%	0.742	S	S	*	*			trans	-65.4	113.1	166.3	-67.4	-174.9	135.8	0	0	110	P530	P530-E532 PolarHBondContact O-N 3.36Å
533	S	27.3	Very low	31.9	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	76%	0.764	S	S	*	*			trans	-166.3	126.3	147.8	31.2	0	0	0	0	110.5	T531	T531-S533 PolarHBondContact O-N 3.28Å
534	T	24.9	Very low	30	Very low	134 Å²	134	135 Å²	135	82%	0.822	78%	0.776	S	S	*	*			trans	-76.8	129.5	171.2	41.9	0	0	0	0	109.6	A536	T534-A536 PolarHBondContact O-N 3.11Å
535	P	29.9	Very low	28.7	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	80%	0.796	S	S	*	*			trans	-70.5	112.7	169.8	28.4	-31.9	0	0	0	109
536	A	22.7	Very low	28.4	Very low	97 Å²	97	137.7 Å²	137.7	80%	0.802	79%	0.79	S	S	*	*			trans	-67.7	138.8	167.4	0	0	0	0	0	109.5	T534 D538	T534-A536 PolarHBondContact O-N 3.11Å; A536-D538 PolarHBondContact O-N 3.01Å
537	V	34.3	Very low	29.1	Very low	121 Å²	121	132.8 Å²	132.8	73%	0.733	78%	0.78	S	S	*	*			trans	-76.4	121.6	175.3	176.4	0	0	0	0	109.1
538	D	23.8	Very low	30.6	Very low	162 Å²	162	129.4 Å²	129.4	87%	0.866	76%	0.759	S	S	*	*			trans	-134.8	121	163.3	-126.7	-29.9	0	0	0	110.3	A536	A536-D538 PolarHBondContact O-N 3.01Å
539	H	30.1	Very low	32.4	Very low	151 Å²	151	123.1 Å²	123.1	70%	0.699	73%	0.727	S	S	*	*			trans	-106.1	122.8	179.8	-76.3	-76.4	0	0	0	110
540	K	24.5	Very low	34.5	Very low	196 Å²	196	123.8 Å²	123.8	85%	0.852	72%	0.722	S	S	*	*			trans	154.2	109.3	136.3	-82.8	150.1	-167	167.2	0	112.6
541	T	23.1	Very low	36.4	Very low	147 Å²	147	119 Å²	119	90%	0.902	69%	0.69	S	S	*	*				-177.3	161.8	123.3	27	0	0	0	0	109.9
542	P	28.3	Very low	38.8	Very low	112 Å²	112	113.2 Å²	113.2	73%	0.727	66%	0.655	S	S	*	*			trans	-108	155.6	-155.4	39.2	-35.1	0	0	0	118
543	M	22.8	Very low	41.1	Very low	139 Å²	139	110.2 Å²	110.2	69%	0.685	64%	0.639	S	S	*	*			trans	68.8	152.4	151.4	-72	-175.3	92.5	0	0	122.5
544	T	26.8	Very low	43.5	Very low	123 Å²	123	107.8 Å²	107.8	76%	0.755	62%	0.616	S	S	*	*			trans	60.3	92.1	163.3	47.1	0	0	0	0	119.6
545	T	25.9	Very low	46.3	Very low	148 Å²	148	101.9 Å²	101.9	91%	0.908	58%	0.579	S	S	*	*				-168.6	154.2	118.5	19.7	0	0	0	0	109.5
546	C	35.8	Very low	49	Very low	84 Å²	84	98.1 Å²	98.1	57%	0.568	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-77.5	125	-179.9	-162.1	0	0	0	0	110.9	H423	H423-C546 VanDerWaalsContact CE1-SG 3.59Å
547	S	49.2	Very low	52	Low	98 Å²	98	102.7 Å²	102.7	69%	0.685	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-76.8	129.5	179.7	53.4	0	0	0	0	111.9
548	V	63.7	Low	54.4	Low	62 Å²	62	100.6 Å²	100.6	38%	0.376	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-72.8	135.8	176.1	-170.5	0	0	0	0	110.1	R462 C464	R462-V548 HydrophobicContact CB-CG2 3.85Å; C464-V548 HydrophobicContact CB-CG1 4.07Å
549	P	67.7	Low	57.6	Low	25 Å²	25	93.2 Å²	93.2	16%	0.162	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-60.6	136.6	175.5	-24.4	34.8	0	0	0	112.8	D419 A422 T551	D419-P549 HydrophobicContact CB-CB 4.2Å; D419-P549 HydrophobicContact CB-CG 4.22Å; A422-P549 HydrophobicContact CB-CG 4.14Å; P549-T551 PolarHBondContact O-N 3.01Å
550	E	70.5	Confident	60.4	Low	132 Å²	132	92.7 Å²	92.7	62%	0.617	49%	0.492	S	S	*	.			trans	-81.5	0.2	-179.5	-53	-144.3	134.4	0	0	113.8	F552 K553	E550-F552 PolarHBondContact O-N 3.23Å; E550-K553 HydrophobicContact CB-CB 4.37Å; E550-K553 HydrophobicContact CB-CD 4.07Å; E550-K553 HydrophobicContact CG-CD 4.2Å; E550-K553 WeakPolarHBondContact O-CB 3.33Å; E550-K553 PolarHBondContact O-N 2.91Å; E550-K553 IonicContact OE1-NZ 3.28Å; E550-K553 PolarHBondContact OE1-NZ 2.72Å; E550-K553 IonicContact OE2-NZ 3.37Å; E550-K553 PolarHBondContact OE2-NZ 2.82Å
551	T	72.4	Confident	63.5	Low	28 Å²	28	85 Å²	85	17%	0.172	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-32.2	-171.1	-41.4	0	0	0	0	115	D419 P549	D419-T551 WeakPolarHBondContact OD2-CB 3.27Å; D419-T551 PolarHBondContact OD2-OG1 3.16Å; P549-T551 PolarHBondContact O-N 3.01Å
552	F	79.8	Confident	66.6	Low	0 Å²	0	80.3 Å²	80.3	0%	0	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	20.4	-179.8	-61.7	-58	0	0	0	114	I405 L417 A465 V520 E550 H554 L555 Y620	I405-F552 HydrophobicContact CD1-CE2 4.02Å; I405-F552 HydrophobicContact CD1-CZ 3.8Å; I405-F552 HydrophobicContact CG1-CE2 4.14Å; I405-F552 HydrophobicContact CG1-CZ 4.41Å; I405-F552 HydrophobicContact CG2-CE2 4.24Å; L417-F552 HydrophobicContact CB-CD2 4.4Å; L417-F552 HydrophobicContact CD1-CB 4.33Å; L417-F552 HydrophobicContact CD1-CD1 4.39Å; L417-F552 HydrophobicContact CD1-CD2 4.17Å; L417-F552 HydrophobicContact CD1-CG 4.02Å; A465-F552 HydrophobicContact CB-CB 4.03Å; V520-F552 HydrophobicContact CG1-CD1 3.61Å; V520-F552 HydrophobicContact CG1-CE1 3.18Å; V520-F552 HydrophobicContact CG1-CZ 3.83Å; E550-F552 PolarHBondContact O-N 3.23Å; F552-H554 PolarHBondContact O-N 2.94Å; F552-L555 HydrophobicContact CB-CD1 4.27Å; F552-L555 HydrophobicContact CD1-CD1 4.14Å; F552-L555 HydrophobicContact CG-CD1 4.49Å; F552-L555 WeakPolarHBondContact O-CB 3.29Å; F552-L555 PolarHBondContact O-N 2.79Å; F552-Y620 HydrophobicContact CE1-CD1 4.01Å; F552-Y620 HydrophobicContact CE1-CG 4.23Å; F552-Y620 VanDerWaalsContact CZ-CB 3.45Å; F552-Y620 AromaticContact CZ-CD1 3.79Å; F552-Y620 HydrophobicContact CZ-CD1 3.79Å; F552-Y620 AromaticContact CZ-CG 3.84Å; F552-Y620 HydrophobicContact CZ-CG 3.84Å
553	K	79.2	Confident	69.5	Low	127 Å²	127	75.7 Å²	75.7	55%	0.552	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	-176.4	-172.1	174.8	175.7	-176.2	0	113.8	E550 L555	E550-K553 HydrophobicContact CB-CB 4.37Å; E550-K553 HydrophobicContact CB-CD 4.07Å; E550-K553 HydrophobicContact CG-CD 4.2Å; E550-K553 WeakPolarHBondContact O-CB 3.33Å; E550-K553 PolarHBondContact O-N 2.91Å; E550-K553 IonicContact OE1-NZ 3.28Å; E550-K553 PolarHBondContact OE1-NZ 2.72Å; E550-K553 IonicContact OE2-NZ 3.37Å; E550-K553 PolarHBondContact OE2-NZ 2.82Å; K553-L555 VanDerWaalsContact C-N 3.29Å
554	H	78.6	Confident	72.7	Confident	52 Å²	52	77.1 Å²	77.1	24%	0.241	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.1	172.4	61.8	-74.1	0	0	0	114.3	V520 L522 F552 T558	V520-H554 PolarHBondContact O-NE2 2.92Å; V520-H554 VanDerWaalsContact O-NE2 3.09Å; L522-H554 HydrophobicContact CD2-CB 3.73Å; L522-H554 VanDerWaalsContact CD2-CG 3.41Å; F552-H554 PolarHBondContact O-N 2.94Å; H554-T558 PolarHBondContact O-OG1 3.24Å
555	L	83.8	Confident	75.7	Confident	10 Å²	10	71.3 Å²	71.3	5%	0.052	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-21.4	-178.6	-62	-175.4	0	0	0	113.6	L417 A465 V520 F552 K553 R557 T558 W559	L417-L555 HydrophobicContact CD1-CD1 3.72Å; A465-L555 HydrophobicContact CB-CB 3.78Å; V520-L555 HydrophobicContact CG1-CD1 4.11Å; F552-L555 HydrophobicContact CB-CD1 4.27Å; F552-L555 HydrophobicContact CD1-CD1 4.14Å; F552-L555 HydrophobicContact CG-CD1 4.49Å; F552-L555 WeakPolarHBondContact O-CB 3.29Å; F552-L555 PolarHBondContact O-N 2.79Å; K553-L555 VanDerWaalsContact C-N 3.29Å; L555-R557 PolarHBondContact O-N 3.16Å; L555-R557 VanDerWaalsContact O-N 3.12Å; L555-T558 VanDerWaalsContact CA-OG1 3.29Å; L555-T558 WeakPolarHBondContact CA-OG1 3.49Å; L555-T558 PolarHBondContact O-N 3.39Å; L555-T558 VanDerWaalsContact O-N 3.12Å; L555-T558 PolarHBondContact O-OG1 2.67Å; L555-T558 VanDerWaalsContact O-OG1 3.07Å; L555-W559 HydrophobicContact CB-CB 4Å; L555-W559 HydrophobicContact CB-CG 4.29Å; L555-W559 HydrophobicContact CD1-CD2 4.31Å; L555-W559 HydrophobicContact CD1-CG 4.42Å; L555-W559 HydrophobicContact CD2-CB 4.25Å; L555-W559 HydrophobicContact CD2-CG 4.08Å; L555-W559 HydrophobicContact CG-CG 4.49Å; L555-W559 WeakPolarHBondContact O-CB 3.44Å; L555-W559 PolarHBondContact O-N 2.97Å
556	D	85.6	Confident	78.7	Confident	46 Å²	46	65.8 Å²	65.8	25%	0.246	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	119.2	-173.8	-169.4	51.4	0	0	0	111.8	A465 V466 T558	A465-D556 HydrophobicContact CB-CB 4.4Å; V466-D556 PolarHBondContact N-OD1 2.93Å; D556-T558 PolarHBondContact O-N 2.97Å
557	R	85.8	Confident	81.2	Confident	193 Å²	193	61.8 Å²	61.8	73%	0.728	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	6.1	-177.7	-50.7	160	-163.3	-129.3	-5.9	114.7	V466 A468 L555	V466-R557 WeakPolarHBondContact O-CA 3.43Å; V466-R557 PolarHBondContact O-N 3.33Å; A468-R557 VanDerWaalsContact CB-O 3.23Å; A468-R557 WeakPolarHBondContact CB-O 3.44Å; L555-R557 PolarHBondContact O-N 3.16Å; L555-R557 VanDerWaalsContact O-N 3.12Å
558	T	85.3	Confident	83	Confident	77 Å²	77	58.7 Å²	58.7	47%	0.472	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-24.8	-179.5	57.5	0	0	0	0	112.7	H554 L555 D556 K560	H554-T558 PolarHBondContact O-OG1 3.24Å; L555-T558 VanDerWaalsContact CA-OG1 3.29Å; L555-T558 WeakPolarHBondContact CA-OG1 3.49Å; L555-T558 PolarHBondContact O-N 3.39Å; L555-T558 VanDerWaalsContact O-N 3.12Å; L555-T558 PolarHBondContact O-OG1 2.67Å; L555-T558 VanDerWaalsContact O-OG1 3.07Å; D556-T558 PolarHBondContact O-N 2.97Å; T558-K560 WeakPolarHBondContact O-CG 3.38Å; T558-K560 PolarHBondContact O-N 3.27Å
559	W	90.1	Very high	84.1	Confident	8 Å²	8	58 Å²	58	3%	0.03	27%	0.272	C	S	.	.			trans	-60.4	129.8	-173.6	-169.2	29.8	0	0	0	112.2	V407 I415 L417 A468 I506 W518 D519 V520 L555	V407-W559 HydrophobicContact CG2-CH2 4.41Å; I415-W559 HydrophobicContact CB-CZ3 4.05Å; I415-W559 HydrophobicContact CG2-CH2 3.83Å; I415-W559 HydrophobicContact CG2-CZ3 3.62Å; L417-W559 HydrophobicContact CD1-CH2 3.83Å; L417-W559 HydrophobicContact CD1-CZ2 4.37Å; L417-W559 HydrophobicContact CD1-CZ3 3.95Å; L417-W559 HydrophobicContact CD2-CH2 4.1Å; L417-W559 HydrophobicContact CG-CH2 3.82Å; L417-W559 HydrophobicContact CG-CZ3 3.83Å; A468-W559 WeakPolarHBondContact CB-O 3.45Å; A468-W559 PolarHBondContact N-O 3.08Å; I506-W559 HydrophobicContact CD1-CH2 4.02Å; I506-W559 HydrophobicContact CD1-CZ2 4.14Å; W518-W559 HydrophobicContact CB-CZ2 3.84Å; W518-W559 HydrophobicContact CE3-CD2 4.09Å; W518-W559 HydrophobicContact CE3-CG 4.16Å; D519-W559 PolarHBondContact O-NE1 2.93Å; V520-W559 HydrophobicContact CG2-CZ2 4.02Å; L555-W559 HydrophobicContact CB-CB 4Å; L555-W559 HydrophobicContact CB-CG 4.29Å; L555-W559 HydrophobicContact CD1-CD2 4.31Å; L555-W559 HydrophobicContact CD1-CG 4.42Å; L555-W559 HydrophobicContact CD2-CB 4.25Å; L555-W559 HydrophobicContact CD2-CG 4.08Å; L555-W559 HydrophobicContact CG-CG 4.49Å; L555-W559 WeakPolarHBondContact O-CB 3.44Å; L555-W559 PolarHBondContact O-N 2.97Å
560	K	89.1	Confident	84.8	Confident	139 Å²	139	59 Å²	59	60%	0.604	28%	0.276	S	S	*	.			trans	-131.7	150.4	-172.7	-79.8	162.9	-175.8	-177	0	109.4	S471 W518 T558	S471-K560 VanDerWaalsContact OG-CG 3.28Å; S471-K560 WeakPolarHBondContact OG-CG 3.43Å; W518-K560 VanDerWaalsContact CE3-C 3.46Å; W518-K560 VanDerWaalsContact CZ3-C 3.49Å; T558-K560 WeakPolarHBondContact O-CG 3.38Å; T558-K560 PolarHBondContact O-N 3.27Å
561	P	90.8	Very high	85	Confident	35 Å²	35	58.1 Å²	58.1	23%	0.227	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	144.3	174.6	30.9	-33.3	0	0	0	110.4	R516 F517 W518	R516-P561 HydrophobicContact CB-CB 4.08Å; F517-P561 CarbonylContact O-C 3.59Å; F517-P561 WeakPolarHBondContact O-CA 3.28Å; F517-P561 WeakPolarHBondContact O-CB 3.27Å; W518-P561 HydrophobicContact CD2-CB 4.03Å; W518-P561 HydrophobicContact CE3-CB 4.23Å; W518-P561 HydrophobicContact CH2-CB 4.21Å; W518-P561 HydrophobicContact CH2-CG 4.17Å; W518-P561 HydrophobicContact CZ2-CB 3.99Å; W518-P561 HydrophobicContact CZ2-CG 4.28Å; W518-P561 HydrophobicContact CZ3-CB 4.33Å; W518-P561 HydrophobicContact CZ3-CG 4.45Å
562	L	86.9	Confident	85.2	Confident	48 Å²	48	61.1 Å²	61.1	25%	0.251	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	-50.4	171.8	-70	172.6	0	0	0	111.1	Q505 F517 D519	Q505-L562 HydrophobicContact CG-CD1 4.38Å; F517-L562 PolarHBondContact O-N 2.69Å; D519-L562 HydrophobicContact CB-CD1 3.97Å; D519-L562 HydrophobicContact CB-CD2 3.95Å; D519-L562 HydrophobicContact CB-CG 4.01Å
563	F	89.2	Confident	84.9	Confident	15 Å²	15	71.9 Å²	71.9	7%	0.066	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	170.8	177.5	67.1	-82.8	0	0	0	110.4	V489 T490 F517 V565 M657	V489-F563 HydrophobicContact CG1-CE1 3.82Å; V489-F563 HydrophobicContact CG1-CZ 3.74Å; T490-F563 VanDerWaalsContact O-CE1 3.31Å; T490-F563 WeakPolarHBondContact O-CE1 3.42Å; F517-F563 HydrophobicContact CB-CD1 3.93Å; F517-F563 HydrophobicContact CB-CE1 3.58Å; F517-F563 HydrophobicContact CB-CZ 3.92Å; F517-F563 AromaticContact CD1-CE1 3.82Å; F517-F563 HydrophobicContact CD1-CE1 3.82Å; F517-F563 AromaticContact CD1-CZ 3.58Å; F517-F563 HydrophobicContact CD1-CZ 3.58Å; F517-F563 HydrophobicContact CD2-CD2 4.19Å; F517-F563 AromaticContact CD2-CE1 3.98Å; F517-F563 HydrophobicContact CD2-CE1 3.98Å; F517-F563 AromaticContact CD2-CE2 3.5Å; F517-F563 HydrophobicContact CD2-CE2 3.5Å; F517-F563 VanDerWaalsContact CD2-CE2 3.5Å; F517-F563 AromaticContact CD2-CZ 3.37Å; F517-F563 HydrophobicContact CD2-CZ 3.37Å; F517-F563 HydrophobicContact CE1-CE1 4.49Å; F517-F563 AromaticContact CE1-CZ 3.85Å; F517-F563 HydrophobicContact CE1-CZ 3.85Å; F517-F563 AromaticContact CE2-CE2 3.72Å; F517-F563 HydrophobicContact CE2-CE2 3.72Å; F517-F563 AromaticContact CE2-CZ 3.68Å; F517-F563 HydrophobicContact CE2-CZ 3.68Å; F517-F563 HydrophobicContact CG-CD1 4.27Å; F517-F563 AromaticContact CG-CE1 3.53Å; F517-F563 HydrophobicContact CG-CE1 3.53Å; F517-F563 AromaticContact CG-CE2 3.96Å; F517-F563 HydrophobicContact CG-CE2 3.96Å; F517-F563 AromaticContact CG-CZ 3.33Å; F517-F563 HydrophobicContact CG-CZ 3.33Å; F517-F563 HydrophobicContact CZ-CE2 4.31Å; F517-F563 AromaticContact CZ-CZ 3.91Å; F517-F563 HydrophobicContact CZ-CZ 3.91Å; F517-F563 PolarHBondContact N-O 3.19Å; F563-V565 HydrophobicContact CD2-CG2 4.14Å; F563-V565 HydrophobicContact CE2-CG2 3.81Å; F563-M657 HydrophobicContact CB-SD 4.02Å; F563-M657 HydrophobicContact CD2-CG 4.29Å; F563-M657 HydrophobicContact CD2-SD 3.86Å; F563-M657 HydrophobicContact CG-SD 4.19Å
564	R	90.9	Very high	85.1	Confident	170 Å²	170	67.6 Å²	67.6	64%	0.642	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.2	179.7	69.6	-176.7	-173.9	-176.2	2.8	110.3	L515 R516	L515-R564 WeakPolarHBondContact O-CA 3.28Å; R516-R564 HydrophobicContact CG-CB 4.34Å
565	V	90.3	Very high	85.6	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114	173	-176.6	0	0	0	0	108.2	T514 L515 F517 F563 F641 W655 S667	T514-V565 WeakPolarHBondContact CA-O 3.43Å; L515-V565 HydrophobicContact CB-CB 4.36Å; L515-V565 PolarHBondContact N-O 3.17Å; L515-V565 PolarHBondContact O-N 3.45Å; F517-V565 HydrophobicContact CD2-CG2 4.43Å; F517-V565 HydrophobicContact CE2-CG2 3.95Å; F563-V565 HydrophobicContact CD2-CG2 4.14Å; F563-V565 HydrophobicContact CE2-CG2 3.81Å; V565-F641 HydrophobicContact CG1-CZ 4.22Å; V565-W655 HydrophobicContact CG2-CB 4.04Å; V565-S667 WeakPolarHBondContact CA-OG 3.48Å
566	S	89.1	Confident	85.9	Confident	31 Å²	31	69.4 Å²	69.4	22%	0.217	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.6	178.2	50.9	0	0	0	0	110.5	S568 S667	S566-S568 PolarHBondContact O-N 3.28Å; S566-S568 VanDerWaalsContact O-N 3.11Å; S566-S667 PolarHBondContact N-OG 3.1Å; S566-S667 PolarHBondContact OG-OG 3.19Å
567	L	88.1	Confident	86.3	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	34%	0.338	C	S	.	.			trans	-86.6	78.4	-174.9	-63.9	174.5	0	0	0	111.5	C513 L515 E575 Y576 P578 F641 V643 I651	C513-L567 PolarHBondContact O-N 3.4Å; L515-L567 HydrophobicContact CD1-CD1 3.79Å; L515-L567 HydrophobicContact CD1-CG 4.33Å; L567-E575 CarbonylContact O-C 3.11Å; L567-E575 VanDerWaalsContact O-CA 3.29Å; L567-E575 WeakPolarHBondContact O-CA 3.42Å; L567-Y576 HydrophobicContact CB-CD2 4.36Å; L567-Y576 WeakPolarHBondContact O-CD2 3.35Å; L567-Y576 PolarHBondContact O-N 2.93Å; L567-P578 HydrophobicContact CD1-CB 3.87Å; L567-P578 HydrophobicContact CD1-CG 4.21Å; L567-F641 HydrophobicContact CD2-CZ 4.16Å; L567-V643 HydrophobicContact CD1-CB 4.35Å; L567-V643 HydrophobicContact CD1-CG1 3.96Å; L567-V643 HydrophobicContact CD1-CG2 4.12Å; L567-I651 HydrophobicContact CD1-CD1 4.46Å
568	S	86.6	Confident	86.6	Confident	33 Å²	33	59.4 Å²	59.4	23%	0.231	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-64.6	141.3	177.6	65.6	0	0	0	0	112.7	S566 P670	S566-S568 PolarHBondContact O-N 3.28Å; S566-S568 VanDerWaalsContact O-N 3.11Å; S568-P670 VanDerWaalsContact O-CD 3.3Å; S568-P670 WeakPolarHBondContact O-CD 3.04Å
569	K	85.9	Confident	87	Confident	46 Å²	46	57.2 Å²	57.2	20%	0.2	29%	0.288	C	S	.	.			trans	-67.6	142.9	174.9	-63.9	-146.1	173.1	-151.5	0	111.9	T572 G574 E575 Y576 E649	K569-T572 WeakPolarHBondContact CB-OG1 3.4Å; K569-G574 PolarHBondContact N-O 3.13Å; K569-E575 WeakPolarHBondContact CE-O 3.35Å; K569-Y576 VanDerWaalsContact CA-CE2 3.48Å; K569-Y576 HydrophobicContact CB-CE2 4.14Å; K569-Y576 HydrophobicContact CD-CD1 3.95Å; K569-Y576 HydrophobicContact CD-CE1 3.75Å; K569-Y576 HydrophobicContact CD-CG 4.46Å; K569-Y576 HydrophobicContact CG-CD1 3.97Å; K569-Y576 HydrophobicContact CG-CD2 3.97Å; K569-Y576 HydrophobicContact CG-CE1 3.88Å; K569-Y576 HydrophobicContact CG-CE2 3.91Å; K569-Y576 HydrophobicContact CG-CG 4Å; K569-E649 IonicContact NZ-OE1 3.88Å; K569-E649 PolarHBondContact NZ-OE1 2.97Å; K569-E649 IonicContact NZ-OE2 2.55Å; K569-E649 PolarHBondContact NZ-OE2 2.93Å
570	I	83.4	Confident	87.1	Confident	48 Å²	48	59.3 Å²	59.3	25%	0.246	30%	0.297	C	S	.	.	S	Bend	trans	-66.5	-53.9	-172.7	-59.4	176.1	0	0	0	111.1	P670 C673	I570-P670 HydrophobicContact CD1-CB 4.48Å; I570-P670 WeakPolarHBondContact CD1-O 3.2Å; I570-P670 HydrophobicContact CG1-CB 4.43Å; I570-C673 HydrophobicContact CD1-CB 3.83Å
571	D	74.9	Confident	87.3	Confident	113 Å²	113	52.8 Å²	52.8	60%	0.604	27%	0.269	S	S	*	.	S	Bend	trans	-101.6	-5.6	-171.8	-56.4	-71.2	0	0	0	114.4	L895	D571-L895 HydrophobicContact CB-CD2 4.46Å
572	T	76.9	Confident	87.3	Confident	90 Å²	90	51.6 Å²	51.6	55%	0.552	26%	0.261	S	S	*	.	S	Bend	trans	-135.6	154.2	-171.6	53.3	0	0	0	0	112.7	K569 G574	K569-T572 WeakPolarHBondContact CB-OG1 3.4Å; T572-G574 PolarHBondContact O-N 3.44Å
573	K	73.3	Confident	87.3	Confident	226 Å²	226	49.3 Å²	49.3	98%	0.983	25%	0.249	S	C	*	.	S	Bend	trans	-77.8	89.4	172.9	-69.6	-172	177.9	-175.5	0	110
574	G	83.2	Confident	86.7	Confident	38 Å²	38	49.9 Å²	49.9	39%	0.392	25%	0.252	S	S	.	.	S	Bend	trans	-173.9	-176	175.3	0	0	0	0	0	110.6	K569 T572	K569-G574 PolarHBondContact N-O 3.13Å; T572-G574 PolarHBondContact O-N 3.44Å
575	E	88.2	Confident	85.3	Confident	90 Å²	90	45 Å²	45	42%	0.421	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-122.8	161.9	175.1	-63.4	176.7	145.4	0	0	109.6	C513 L567 K569	C513-E575 HydrophobicContact CB-CB 3.71Å; C513-E575 HydrophobicContact CB-CG 4.43Å; C513-E575 VanDerWaalsContact CB-OE2 3.26Å; C513-E575 WeakPolarHBondContact CB-OE2 3.5Å; L567-E575 CarbonylContact O-C 3.11Å; L567-E575 VanDerWaalsContact O-CA 3.29Å; L567-E575 WeakPolarHBondContact O-CA 3.42Å; K569-E575 WeakPolarHBondContact CE-O 3.35Å
576	Y	90.5	Very high	83.2	Confident	9 Å²	9	46.6 Å²	46.6	4%	0.035	25%	0.249	C	C	.	.			trans	-90.3	145.5	171	-64	-79.1	0	0	0	110.3	L567 K569 P578 T645 E649 I651 P670 C673	L567-Y576 HydrophobicContact CB-CD2 4.36Å; L567-Y576 WeakPolarHBondContact O-CD2 3.35Å; L567-Y576 PolarHBondContact O-N 2.93Å; K569-Y576 VanDerWaalsContact CA-CE2 3.48Å; K569-Y576 HydrophobicContact CB-CE2 4.14Å; K569-Y576 HydrophobicContact CD-CD1 3.95Å; K569-Y576 HydrophobicContact CD-CE1 3.75Å; K569-Y576 HydrophobicContact CD-CG 4.46Å; K569-Y576 HydrophobicContact CG-CD1 3.97Å; K569-Y576 HydrophobicContact CG-CD2 3.97Å; K569-Y576 HydrophobicContact CG-CE1 3.88Å; K569-Y576 HydrophobicContact CG-CE2 3.91Å; K569-Y576 HydrophobicContact CG-CG 4Å; Y576-P578 VanDerWaalsContact O-CD 3.32Å; Y576-P578 WeakPolarHBondContact O-CD 3.32Å; Y576-T645 HydrophobicContact CD1-CG2 4.2Å; Y576-T645 HydrophobicContact CG-CG2 4.45Å; Y576-E649 WeakPolarHBondContact CD1-OE2 3.33Å; Y576-E649 VanDerWaalsContact CE1-OE1 3.31Å; Y576-E649 WeakPolarHBondContact CE1-OE1 3.49Å; Y576-I651 VanDerWaalsContact CB-CD1 3.41Å; Y576-I651 HydrophobicContact CD1-CD1 3.76Å; Y576-I651 HydrophobicContact CD1-CG1 4.35Å; Y576-I651 HydrophobicContact CD2-CD1 3.52Å; Y576-I651 HydrophobicContact CD2-CG1 4.27Å; Y576-I651 HydrophobicContact CE1-CD1 4.37Å; Y576-I651 HydrophobicContact CE2-CD1 4.14Å; Y576-I651 HydrophobicContact CE2-CG1 4.4Å; Y576-I651 HydrophobicContact CG-CD1 3.31Å; Y576-I651 HydrophobicContact CG-CG1 4.24Å; Y576-P670 HydrophobicContact CE2-CG 4.35Å; Y576-C673 VanDerWaalsContact CE1-SG 3.57Å; Y576-C673 VanDerWaalsContact OH-CB 3.32Å; Y576-C673 WeakPolarHBondContact OH-CB 3.25Å; Y576-C673 PolarHBondContact OH-SG 3.03Å; Y576-C673 VanDerWaalsContact OH-SG 3.35Å
577	V	92.9	Very high	80.9	Confident	30 Å²	30	50 Å²	50	18%	0.182	26%	0.263	C	S	.	.			trans	-95.9	105	178.4	-177.7	0	0	0	0	108.8	P511 T645 E646	P511-V577 HydrophobicContact CB-CG1 3.63Å; P511-V577 HydrophobicContact CG-CG1 4.49Å; V577-T645 WeakPolarHBondContact O-CA 3.29Å; V577-T645 WeakPolarHBondContact O-CB 3.46Å; V577-E646 HydrophobicContact CB-CB 4.26Å; V577-E646 HydrophobicContact CG1-CB 4.11Å; V577-E646 PolarHBondContact O-N 3.21Å; V577-E646 VanDerWaalsContact O-N 3.13Å
578	P	93.7	Very high	77.9	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.4	-171.1	37.3	-35.7	0	0	0	111.8	S510 L515 L567 Y576 V643	S510-P578 CarbonylContact C-O 3.57Å; S510-P578 WeakPolarHBondContact O-CD 3.22Å; S510-P578 VanDerWaalsContact O-CG 3.26Å; S510-P578 WeakPolarHBondContact O-CG 3.35Å; L515-P578 HydrophobicContact CD1-CB 4.26Å; L515-P578 HydrophobicContact CD1-CG 4.17Å; L567-P578 HydrophobicContact CD1-CB 3.87Å; L567-P578 HydrophobicContact CD1-CG 4.21Å; Y576-P578 VanDerWaalsContact O-CD 3.32Å; Y576-P578 WeakPolarHBondContact O-CD 3.32Å; P578-V643 HydrophobicContact CB-CG1 3.41Å; P578-V643 VanDerWaalsContact CB-CG1 3.41Å
579	M	92.8	Very high	75.1	Confident	31 Å²	31	56 Å²	56	15%	0.153	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-46.4	-178.9	-61.1	-56.8	-70.5	0	0	111.8	T478 P511 G644 E646 L680	T478-M579 VanDerWaalsContact CB-O 3.24Å; T478-M579 WeakPolarHBondContact CB-O 3.34Å; T478-M579 HydrophobicContact CG2-CE 3.96Å; T478-M579 HydrophobicContact CG2-SD 4.43Å; T478-M579 PolarHBondContact OG1-O 2.61Å; P511-M579 HydrophobicContact CG-SD 3.96Å; M579-G644 PolarHBondContact N-O 2.83Å; M579-E646 HydrophobicContact CG-CB 4.12Å; M579-E646 HydrophobicContact SD-CB 4.17Å; M579-L680 HydrophobicContact CE-CD1 4.34Å
580	K	92.1	Very high	72.2	Confident	52 Å²	52	57.5 Å²	57.5	23%	0.226	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.8	-179.5	-69.4	-58	-173.3	-170.5	0	110.7	T478 D479 V643 G644 N682 V684	T478-K580 PolarHBondContact O-NZ 3.04Å; D479-K580 HydrophobicContact CB-CD 3.86Å; D479-K580 VanDerWaalsContact CG-CD 3.49Å; D479-K580 WeakPolarHBondContact OD1-CD 3.19Å; D479-K580 IonicContact OD1-NZ 3.58Å; D479-K580 PolarHBondContact OD1-NZ 3.3Å; K580-V643 CarbonylContact O-C 3.59Å; K580-V643 WeakPolarHBondContact O-CA 2.93Å; K580-V643 WeakPolarHBondContact O-CG1 3.33Å; K580-G644 PolarHBondContact N-O 2.91Å; K580-G644 PolarHBondContact O-N 2.84Å; K580-N682 WeakPolarHBondContact CG-O 3.47Å; K580-V684 HydrophobicContact CB-CB 4.07Å; K580-V684 HydrophobicContact CB-CG2 3.78Å
581	F	93.5	Very high	69.9	Low	2 Å²	2	59.9 Å²	59.9	1%	0.009	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.8	175.9	70.9	-75.4	0	0	0	111.8	D479 Q481 I507 C509 L515 F583 F641 F642 V643	D479-F581 HydrophobicContact CB-CD1 4Å; D479-F581 HydrophobicContact CB-CE1 3.94Å; Q481-F581 HydrophobicContact CB-CE2 4.08Å; Q481-F581 HydrophobicContact CB-CZ 3.71Å; Q481-F581 HydrophobicContact CG-CE1 4.13Å; Q481-F581 HydrophobicContact CG-CE2 4.15Å; Q481-F581 HydrophobicContact CG-CZ 3.68Å; Q481-F581 PolarHBondContact NE2-O 2.92Å; I507-F581 HydrophobicContact CB-CE2 3.84Å; I507-F581 HydrophobicContact CB-CZ 3.72Å; I507-F581 HydrophobicContact CD1-CE2 4.31Å; I507-F581 HydrophobicContact CG2-CD2 4.45Å; I507-F581 HydrophobicContact CG2-CE1 4.44Å; I507-F581 HydrophobicContact CG2-CE2 3.55Å; I507-F581 HydrophobicContact CG2-CZ 3.55Å; C509-F581 HydrophobicContact CB-CD1 3.46Å; C509-F581 VanDerWaalsContact CB-CD1 3.46Å; C509-F581 HydrophobicContact CB-CE1 3.63Å; L515-F581 HydrophobicContact CD2-CB 4.17Å; L515-F581 HydrophobicContact CD2-CD1 4.27Å; L515-F581 HydrophobicContact CD2-CD2 3.96Å; L515-F581 HydrophobicContact CD2-CE2 4.42Å; L515-F581 HydrophobicContact CD2-CG 3.88Å; F581-F583 HydrophobicContact CD2-CD1 4.19Å; F581-F583 AromaticContact CE2-CD1 3.91Å; F581-F583 HydrophobicContact CE2-CD1 3.91Å; F581-F583 HydrophobicContact CE2-CE1 4.1Å; F581-F641 HydrophobicContact CB-CD2 4.44Å; F581-F642 CarbonylContact C-O 3.38Å; F581-F642 WeakPolarHBondContact CA-O 2.96Å; F581-V643 HydrophobicContact CB-CG2 4.19Å
582	S	90.3	Very high	67.8	Low	9 Å²	9	57.4 Å²	57.4	6%	0.063	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	129.5	168.8	-163	0	0	0	0	110.9	F642	S582-F642 PolarHBondContact N-O 3.29Å; S582-F642 PolarHBondContact O-N 2.78Å
583	F	86.8	Confident	65.5	Low	1 Å²	1	61.8 Å²	61.8	0%	0.004	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	171.8	178	64.9	-84.2	0	0	0	110.8	Q481 L483 P484 I507 F581 N585 F641 W655 R686	Q481-F583 HydrophobicContact CB-CE1 3.97Å; L483-F583 HydrophobicContact CD2-CE2 3.94Å; L483-F583 HydrophobicContact CD2-CZ 4.13Å; P484-F583 HydrophobicContact CG-CE2 4.26Å; I507-F583 HydrophobicContact CD1-CD1 4.2Å; I507-F583 HydrophobicContact CD1-CE1 4Å; I507-F583 HydrophobicContact CD1-CZ 4.4Å; F581-F583 HydrophobicContact CD2-CD1 4.19Å; F581-F583 AromaticContact CE2-CD1 3.91Å; F581-F583 HydrophobicContact CE2-CD1 3.91Å; F581-F583 HydrophobicContact CE2-CE1 4.1Å; F583-N585 WeakPolarHBondContact CE2-OD1 3.14Å; F583-N585 WeakPolarHBondContact CZ-OD1 3.42Å; F583-N585 PolarHBondContact O-N 3.44Å; F583-F641 HydrophobicContact CB-CB 3.8Å; F583-W655 HydrophobicContact CB-CH2 4.19Å; F583-W655 HydrophobicContact CB-CZ3 3.61Å; F583-W655 HydrophobicContact CD2-CH2 4.12Å; F583-W655 HydrophobicContact CD2-CZ3 4.29Å; F583-W655 HydrophobicContact CG-CH2 4.37Å; F583-W655 HydrophobicContact CG-CZ3 4.06Å; F583-R686 VanDerWaalsContact C-NE 3.3Å; F583-R686 WeakPolarHBondContact O-CD 3.33Å; F583-R686 PolarHBondContact O-NE 3.39Å
584	E	76.8	Confident	63.4	Low	26 Å²	26	53.8 Å²	53.8	12%	0.121	31%	0.311	C	S	.	.			trans	-70.9	97.1	176.1	-164.1	-175.6	151	0	0	110.8	V586 N638 K691	E584-V586 HydrophobicContact CG-CG2 4.22Å; E584-V586 PolarHBondContact O-N 2.96Å; E584-N638 HydrophobicContact CB-CB 4.16Å; E584-N638 WeakPolarHBondContact OE2-CB 3.38Å; E584-N638 PolarHBondContact OE2-ND2 3.27Å; E584-K691 HydrophobicContact CG-CB 4.46Å; E584-K691 HydrophobicContact CG-CG 4.45Å; E584-K691 WeakPolarHBondContact OE1-CD 3.37Å; E584-K691 IonicContact OE1-NZ 2.84Å; E584-K691 PolarHBondContact OE1-NZ 3.27Å
585	N	61.4	Low	61	Low	67 Å²	67	57.3 Å²	57.3	36%	0.358	32%	0.319	S	S	.	.			trans	-64.7	97.5	163.8	-80.2	-54.2	0	0	0	108.7	F583 I587	F583-N585 WeakPolarHBondContact CE2-OD1 3.14Å; F583-N585 WeakPolarHBondContact CZ-OD1 3.42Å; F583-N585 PolarHBondContact O-N 3.44Å; N585-I587 HydrophobicContact CB-CG1 4.48Å; N585-I587 PolarHBondContact O-N 3.32Å
586	V	46.9	Very low	58.3	Low	36 Å²	36	58.9 Å²	58.9	22%	0.218	33%	0.329	C	S	.	.			trans	-74.3	59.7	172.3	-167.6	0	0	0	0	110.4	T486 E584	T486-V586 PolarHBondContact OG1-O 2.92Å; E584-V586 HydrophobicContact CG-CG2 4.22Å; E584-V586 PolarHBondContact O-N 2.96Å
587	I	41	Very low	55.2	Low	102 Å²	102	64.4 Å²	64.4	52%	0.523	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-79.3	138.7	150	-54.1	173.3	0	0	0	105	N585 I594	N585-I587 HydrophobicContact CB-CG1 4.48Å; N585-I587 PolarHBondContact O-N 3.32Å; I587-I594 HydrophobicContact CG2-CD1 3.78Å
588	A	24.7	Very low	52.1	Low	63 Å²	63	67 Å²	67	52%	0.521	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-63	158.9	175.1	0	0	0	0	0	110.5	I594	A588-I594 HydrophobicContact CB-CD1 3.73Å; A588-I594 HydrophobicContact CB-CG1 4.47Å; A588-I594 WeakPolarHBondContact O-CD1 3.03Å
589	P	27.2	Very low	49.2	Very low	96 Å²	96	73 Å²	73	62%	0.623	40%	0.402	S	S	*	.	S	Bend	trans	-65	156.8	179.5	26.6	-35.1	0	0	0	112.3
590	T	26.1	Very low	46.1	Very low	78 Å²	78	75.2 Å²	75.2	48%	0.479	42%	0.417	S	S	.	.			trans	84.9	95.6	-178.9	-32.8	0	0	0	0	115	G592 R593	T590-G592 PolarHBondContact O-N 3.28Å; T590-R593 HydrophobicContact CG2-CB 4.17Å; T590-R593 HydrophobicContact CG2-CG 3.97Å; T590-R593 PolarHBondContact O-N 2.9Å
591	V	34.4	Very low	43.2	Very low	98 Å²	98	78.8 Å²	78.8	59%	0.594	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	49.4	168.2	-170	0	0	0	0	110.9	P688	V591-P688 HydrophobicContact CG2-CB 4.34Å
592	G	30.5	Very low	40.2	Very low	61 Å²	61	86.4 Å²	86.4	63%	0.629	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-175	5.3	-172.7	0	0	0	0	0	115.6	T590	T590-G592 PolarHBondContact O-N 3.28Å
593	R	29.2	Very low	37.2	Very low	183 Å²	183	90.5 Å²	90.5	69%	0.691	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-17.3	176.2	-74.8	-173.7	172.7	-179.6	-2.3	116	T590 I596	T590-R593 HydrophobicContact CG2-CB 4.17Å; T590-R593 HydrophobicContact CG2-CG 3.97Å; T590-R593 PolarHBondContact O-N 2.9Å; R593-I596 PolarHBondContact O-N 3.09Å
594	I	30.3	Very low	34.6	Very low	58 Å²	58	98.3 Å²	98.3	30%	0.297	54%	0.541	S	S	.	.	H	α-helix	trans	-73.2	-36.7	-166.4	-69.8	169.6	0	0	0	113.5	I587 A588 I596 H597 T598	I587-I594 HydrophobicContact CG2-CD1 3.78Å; A588-I594 HydrophobicContact CB-CD1 3.73Å; A588-I594 HydrophobicContact CB-CG1 4.47Å; A588-I594 WeakPolarHBondContact O-CD1 3.03Å; I594-I596 PolarHBondContact O-N 3.03Å; I594-H597 PolarHBondContact O-N 3.22Å; I594-T598 PolarHBondContact O-N 2.99Å; I594-T598 VanDerWaalsContact O-N 3.1Å; I594-T598 PolarHBondContact O-OG1 3.04Å
595	M	31	Very low	32.3	Very low	112 Å²	112	101.7 Å²	101.7	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-55.6	-36.9	174.3	-93.8	-177.1	157.7	0	0	112.9	T339 H597 L599	T339-M595 HydrophobicContact CG2-CE 4.01Å; M595-H597 VanDerWaalsContact C-N 3.34Å; M595-H597 PolarHBondContact O-N 3.09Å; M595-L599 WeakPolarHBondContact O-CG 3.25Å
596	I	33	Very low	31	Very low	123 Å²	123	107.4 Å²	107.4	63%	0.631	59%	0.592	S	S	*	*	H	α-helix	trans	-68.8	-35.9	179	-56.8	176.7	0	0	0	111	R593 I594 T600	R593-I596 PolarHBondContact O-N 3.09Å; I594-I596 PolarHBondContact O-N 3.03Å; I596-T600 PolarHBondContact O-OG1 3.31Å
597	H	25.3	Very low	30.2	Very low	125 Å²	125	112.3 Å²	112.3	58%	0.579	62%	0.623	S	S	*	*	H	α-helix	trans	-86.7	-20	-173.2	-140.4	-50.1	0	0	0	114.5	I594 M595 T600	I594-H597 PolarHBondContact O-N 3.22Å; M595-H597 VanDerWaalsContact C-N 3.34Å; M595-H597 PolarHBondContact O-N 3.09Å; H597-T600 WeakPolarHBondContact CA-OG1 3.3Å; H597-T600 PolarHBondContact O-OG1 3.32Å
598	T	26.4	Very low	29.7	Very low	83 Å²	83	115.3 Å²	115.3	51%	0.509	64%	0.639	S	S	.	*	H	α-helix	trans	-78.5	-34.6	171.6	-42.7	0	0	0	0	111.8	I594 T600	I594-T598 PolarHBondContact O-N 2.99Å; I594-T598 VanDerWaalsContact O-N 3.1Å; I594-T598 PolarHBondContact O-OG1 3.04Å; T598-T600 VanDerWaalsContact C-N 3.35Å; T598-T600 PolarHBondContact O-N 2.6Å
599	L	33.3	Very low	30.3	Very low	128 Å²	128	120.6 Å²	120.6	67%	0.67	65%	0.651	S	S	*	*	H	α-helix	trans	-69.3	-28.9	176.9	-70.6	171.6	0	0	0	113.5	M595	M595-L599 WeakPolarHBondContact O-CG 3.25Å
600	T	28	Very low	30.6	Very low	76 Å²	76	123.5 Å²	123.5	47%	0.466	66%	0.661	S	S	.	*	H	α-helix	trans	-82.6	-22.8	-178.2	29.2	0	0	0	0	114.2	I596 H597 T598 S603	I596-T600 PolarHBondContact O-OG1 3.31Å; H597-T600 WeakPolarHBondContact CA-OG1 3.3Å; H597-T600 PolarHBondContact O-OG1 3.32Å; T598-T600 VanDerWaalsContact C-N 3.35Å; T598-T600 PolarHBondContact O-N 2.6Å; T600-S603 PolarHBondContact O-N 3.16Å
601	L	31.1	Very low	30.9	Very low	127 Å²	127	127.8 Å²	127.8	67%	0.665	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-6.5	-175.2	-90.7	166.9	0	0	0	115.1
602	F	30.9	Very low	30.8	Very low	163 Å²	163	132.4 Å²	132.4	72%	0.715	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-6.1	170	-84.6	-81.7	0	0	0	113.7	L604	F602-L604 VanDerWaalsContact C-N 3.28Å; F602-L604 PolarHBondContact O-N 3.03Å
603	S	27.1	Very low	30.7	Very low	94 Å²	94	133.8 Å²	133.8	66%	0.657	71%	0.705	S	S	*	*	S	Bend	trans	-86.4	12.9	-178.9	-54.2	0	0	0	0	114.6	T600	T600-S603 PolarHBondContact O-N 3.16Å
604	L	31	Very low	30.9	Very low	166 Å²	166	130.7 Å²	130.7	87%	0.869	71%	0.707	S	S	*	*			trans	-130	46.5	-179.5	-71.5	177.2	0	0	0	112.8	F602	F602-L604 VanDerWaalsContact C-N 3.28Å; F602-L604 PolarHBondContact O-N 3.03Å
605	S	28.6	Very low	31.4	Very low	96 Å²	96	134.2 Å²	134.2	67%	0.671	72%	0.722	S	S	*	*	S	Bend	trans	-115.6	123.1	148.6	54.8	0	0	0	0	108.2
606	E	34.1	Very low	32.4	Very low	187 Å²	187	135.4 Å²	135.4	87%	0.874	74%	0.736	S	S	*	*			trans	-66.8	158.3	178.3	-61.5	-178.3	121.2	0	0	111.5
607	T	32	Very low	33.9	Very low	140 Å²	140	132.9 Å²	132.9	86%	0.859	72%	0.72	S	S	*	*			trans	60.5	89.9	-175.9	65.6	0	0	0	0	113.2
608	D	29.8	Very low	35.6	Very low	164 Å²	164	128.8 Å²	128.8	88%	0.877	71%	0.705	S	S	*	*				-153.7	-176.6	66.7	-135.4	-28.8	0	0	0	113.7
609	K	36.2	Very low	37.7	Very low	175 Å²	175	128.3 Å²	128.3	76%	0.761	70%	0.699	S	S	*	*			trans	-118	159.7	176.2	-73.5	-171.7	177.3	-176.9	0	114
610	D	33.6	Very low	39.7	Very low	157 Å²	157	122.5 Å²	122.5	84%	0.84	67%	0.668	S	S	*	*			trans	69.1	63	162.4	-54.6	-29	0	0	0	118.5
611	I	33.1	Very low	41.5	Very low	167 Å²	167	121.2 Å²	121.2	86%	0.856	66%	0.662	S	S	*	*			trans	-126	131.5	154.5	-58.7	-178	0	0	0	110
612	K	31.3	Very low	43.2	Very low	196 Å²	196	122 Å²	122	85%	0.852	66%	0.662	S	S	*	*			trans	-74.3	136.1	173.3	-68.1	178.3	179.7	175.4	0	109.8	T614	K612-T614 PolarHBondContact O-N 3.33Å; K612-T614 VanDerWaalsContact O-N 3.1Å
613	G	30.3	Very low	45.3	Very low	89 Å²	89	115.3 Å²	115.3	92%	0.918	63%	0.634	S	S	*	*			trans	-60.7	109.8	-172.9	0	0	0	0	0	114.4
614	T	32.2	Very low	47.2	Very low	119 Å²	119	114.8 Å²	114.8	73%	0.73	62%	0.622	S	S	*	*			trans	-104.6	138.9	155.5	-58.1	0	0	0	0	106.9	K612 V616	K612-T614 PolarHBondContact O-N 3.33Å; K612-T614 VanDerWaalsContact O-N 3.1Å; T614-V616 PolarHBondContact O-N 3.39Å
615	E	41.1	Very low	49	Very low	132 Å²	132	109.6 Å²	109.6	62%	0.617	60%	0.595	S	S	*	*			trans	-68.7	103.3	176.3	-66	-172	162.2	0	0	110.4	F617	E615-F617 HydrophobicContact CB-CE2 4.23Å; E615-F617 HydrophobicContact CB-CZ 4.33Å; E615-F617 PolarHBondContact O-N 3.47Å; E615-F617 VanDerWaalsContact O-N 3.14Å
616	V	50.9	Low	50.5	Low	137 Å²	137	108 Å²	108	83%	0.83	58%	0.582	S	S	*	*			trans	-82.1	90.2	178.1	-175.1	0	0	0	0	109.1	T614	T614-V616 PolarHBondContact O-N 3.39Å
617	F	65.1	Low	51.3	Low	69 Å²	69	102.7 Å²	102.7	30%	0.303	57%	0.571	S	S	.	*			trans	-63.4	147.2	169.8	-67.1	-68.7	0	0	0	111.1	P403 E615 D619	P403-F617 HydrophobicContact CG-CE1 4.21Å; E615-F617 HydrophobicContact CB-CE2 4.23Å; E615-F617 HydrophobicContact CB-CZ 4.33Å; E615-F617 PolarHBondContact O-N 3.47Å; E615-F617 VanDerWaalsContact O-N 3.14Å; F617-D619 PolarHBondContact O-N 2.85Å
618	P	62.5	Low	52.2	Low	40 Å²	40	102.2 Å²	102.2	26%	0.26	57%	0.573	S	S	.	*			trans	-66	130.9	178.5	27.3	-34.9	0	0	0	111	N402 V502 Y620	N402-P618 HydrophobicContact CB-CG 4.36Å; N402-P618 PolarHBondContact ND2-O 3.06Å; V502-P618 HydrophobicContact CG1-CB 4.47Å; V502-P618 HydrophobicContact CG1-CG 4.13Å; V502-P618 HydrophobicContact CG2-CB 3.73Å; V502-P618 HydrophobicContact CG2-CG 3.78Å; P618-Y620 HydrophobicContact CG-CE2 4.08Å; P618-Y620 WeakPolarHBondContact O-CD2 3.43Å; P618-Y620 PolarHBondContact O-N 3.48Å
619	D	69.9	Low	53.1	Low	73 Å²	73	100.2 Å²	100.2	39%	0.39	56%	0.558	S	S	.	*			trans	-77.6	106.8	173.1	-179	-1.3	0	0	0	110.2	F617 S621 Q622	F617-D619 PolarHBondContact O-N 2.85Å; D619-S621 VanDerWaalsContact C-N 3.27Å; D619-S621 VanDerWaalsContact CG-OG 3.23Å; D619-S621 PolarHBondContact O-N 2.72Å; D619-S621 VanDerWaalsContact OD1-CB 3.29Å; D619-S621 WeakPolarHBondContact OD1-CB 3.39Å; D619-S621 PolarHBondContact OD1-N 3.36Å; D619-S621 PolarHBondContact OD1-OG 3.45Å; D619-S621 PolarHBondContact OD2-OG 3.35Å; D619-Q622 PolarHBondContact OD2-NE2 3.04Å
620	Y	75.6	Confident	53.7	Low	6 Å²	6	102 Å²	102	2%	0.024	57%	0.566	C	S	.	*	G	3₁₀ helix	trans	-70.3	-20	-179.9	-85.4	-114.1	0	0	0	113.5	S399 N402 I405 V502 S503 V504 V520 F552 P618 Q622 L623	S399-Y620 PolarHBondContact OG-OH 3.08Å; N402-Y620 HydrophobicContact CB-CD2 4.42Å; N402-Y620 HydrophobicContact CB-CE2 3.67Å; I405-Y620 HydrophobicContact CD1-CD1 3.96Å; I405-Y620 HydrophobicContact CD1-CD2 3.26Å; I405-Y620 HydrophobicContact CD1-CE1 4.12Å; I405-Y620 HydrophobicContact CD1-CE2 3.45Å; I405-Y620 VanDerWaalsContact CD1-CE2 3.45Å; I405-Y620 HydrophobicContact CD1-CG 3.52Å; V502-Y620 HydrophobicContact CG1-CE1 4.11Å; V502-Y620 HydrophobicContact CG1-CE2 3.67Å; V502-Y620 VanDerWaalsContact CG1-CZ 3.43Å; V502-Y620 VanDerWaalsContact CG1-OH 3.28Å; V502-Y620 WeakPolarHBondContact CG1-OH 3.14Å; S503-Y620 WeakPolarHBondContact O-CE1 3.32Å; S503-Y620 PolarHBondContact O-OH 2.91Å; V504-Y620 HydrophobicContact CG1-CE1 4.38Å; V520-Y620 HydrophobicContact CG1-CD1 4.14Å; F552-Y620 HydrophobicContact CE1-CD1 4.01Å; F552-Y620 HydrophobicContact CE1-CG 4.23Å; F552-Y620 VanDerWaalsContact CZ-CB 3.45Å; F552-Y620 AromaticContact CZ-CD1 3.79Å; F552-Y620 HydrophobicContact CZ-CD1 3.79Å; F552-Y620 AromaticContact CZ-CG 3.84Å; F552-Y620 HydrophobicContact CZ-CG 3.84Å; P618-Y620 HydrophobicContact CG-CE2 4.08Å; P618-Y620 WeakPolarHBondContact O-CD2 3.43Å; P618-Y620 PolarHBondContact O-N 3.48Å; Y620-Q622 PolarHBondContact O-N 2.66Å; Y620-L623 HydrophobicContact CD1-CD1 3.96Å; Y620-L623 HydrophobicContact CD2-CD1 4.34Å; Y620-L623 HydrophobicContact CE1-CD1 4.41Å; Y620-L623 HydrophobicContact CG-CD1 3.94Å; Y620-L623 PolarHBondContact O-N 3.49Å
621	S	65.4	Low	54.9	Low	49 Å²	49	97.8 Å²	97.8	34%	0.343	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-68.3	-17.9	-180	73.2	0	0	0	0	113.2	L522 D619	L522-S621 WeakPolarHBondContact CD1-O 3.33Å; D619-S621 VanDerWaalsContact C-N 3.27Å; D619-S621 VanDerWaalsContact CG-OG 3.23Å; D619-S621 PolarHBondContact O-N 2.72Å; D619-S621 VanDerWaalsContact OD1-CB 3.29Å; D619-S621 WeakPolarHBondContact OD1-CB 3.39Å; D619-S621 PolarHBondContact OD1-N 3.36Å; D619-S621 PolarHBondContact OD1-OG 3.45Å; D619-S621 PolarHBondContact OD2-OG 3.35Å
622	Q	66.7	Low	56.2	Low	142 Å²	142	99.5 Å²	99.5	66%	0.664	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-100.2	-2.5	-179.6	-58.2	-177	44	0	0	113.1	D619 Y620 M624	D619-Q622 PolarHBondContact OD2-NE2 3.04Å; Y620-Q622 PolarHBondContact O-N 2.66Å; Q622-M624 PolarHBondContact O-N 3.19Å; Q622-M624 VanDerWaalsContact O-N 3.13Å
623	L	75.8	Confident	58	Low	23 Å²	23	95.4 Å²	95.4	12%	0.12	52%	0.523	C	S	.	.			trans	-81.8	96.7	-175.4	-59.7	-180	0	0	0	111.4	V502 V504 R521 L522 Y620	V502-L623 HydrophobicContact CG1-CD1 4.19Å; V504-L623 HydrophobicContact CG1-CD1 3.79Å; R521-L623 WeakPolarHBondContact CA-O 3.37Å; R521-L623 WeakPolarHBondContact CB-O 3.23Å; R521-L623 HydrophobicContact CG-CB 3.92Å; L522-L623 PolarHBondContact N-O 2.87Å; Y620-L623 HydrophobicContact CD1-CD1 3.96Å; Y620-L623 HydrophobicContact CD2-CD1 4.34Å; Y620-L623 HydrophobicContact CE1-CD1 4.41Å; Y620-L623 HydrophobicContact CG-CD1 3.94Å; Y620-L623 PolarHBondContact O-N 3.49Å
624	M	67.1	Low	59.7	Low	84 Å²	84	93.7 Å²	93.7	41%	0.414	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-76.1	150.3	170.1	-57.3	-58	-56.7	0	0	111.9	Q500 L522 P523 Q622	Q500-M624 PolarHBondContact NE2-O 3.47Å; L522-M624 HydrophobicContact CB-CE 3.8Å; L522-M624 HydrophobicContact CB-SD 3.49Å; L522-M624 WeakPolarHBondContact CB-SD 3.47Å; L522-M624 HydrophobicContact CD1-SD 3.72Å; L522-M624 HydrophobicContact CG-SD 4.25Å; P523-M624 WeakPolarHBondContact O-CE 3.12Å; Q622-M624 PolarHBondContact O-N 3.19Å; Q622-M624 VanDerWaalsContact O-N 3.13Å
625	L	68.1	Low	61.1	Low	57 Å²	57	95.7 Å²	95.7	30%	0.298	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-60.3	140.2	161.2	-73.4	179.2	0	0	0	110.5	R521 L522 A524 A627	R521-L625 HydrophobicContact CB-CD2 3.93Å; R521-L625 HydrophobicContact CB-CG 4.16Å; L522-L625 PolarHBondContact O-N 3.43Å; A524-L625 HydrophobicContact CB-CB 4.5Å; L625-A627 PolarHBondContact O-N 2.85Å
626	P	60.7	Low	62.2	Low	61 Å²	61	94.3 Å²	94.3	40%	0.396	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-57.5	133	173.3	-24.3	33.9	0	0	0	112.2
627	A	49.4	Very low	63.5	Low	77 Å²	77	88.7 Å²	88.7	64%	0.636	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-60.6	150.6	161.2	0	0	0	0	0	109.4	L625 E629	L625-A627 PolarHBondContact O-N 2.85Å; A627-E629 PolarHBondContact O-N 2.87Å
628	S	51.2	Low	64.3	Low	129 Å²	129	87 Å²	87	90%	0.902	46%	0.462	S	S	*	.			trans	-74.6	67.6	-168.4	66	0	0	0	0	114.1
629	E	49.8	Very low	65.3	Low	123 Å²	123	85.9 Å²	85.9	58%	0.575	45%	0.454	S	S	*	.			trans	-65.9	164.2	159.7	-64.9	-171.3	147	0	0	110.7	K499 A627 L631	K499-E629 IonicContact NZ-OE2 2.71Å; K499-E629 PolarHBondContact NZ-OE2 2.96Å; A627-E629 PolarHBondContact O-N 2.87Å; E629-L631 VanDerWaalsContact C-N 3.32Å; E629-L631 PolarHBondContact O-N 3.21Å
630	K	48.8	Very low	66.2	Low	211 Å²	211	85.8 Å²	85.8	92%	0.917	45%	0.45	S	S	*	.			trans	-73.6	89.2	169.5	-69.6	-176.2	177.4	-177.6	0	109.6
631	L	59	Low	66.9	Low	70 Å²	70	85.6 Å²	85.6	37%	0.366	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-55.8	144.9	172.8	-58.9	176.9	0	0	0	110.4	T490 V496 E629	T490-L631 HydrophobicContact CG2-CD1 4.21Å; V496-L631 HydrophobicContact CG1-CB 3.84Å; V496-L631 HydrophobicContact CG1-CD1 4.15Å; V496-L631 HydrophobicContact CG1-CD2 4.13Å; V496-L631 HydrophobicContact CG1-CG 4.24Å; V496-L631 HydrophobicContact CG2-CB 3.97Å; V496-L631 HydrophobicContact CG2-CD1 4.23Å; E629-L631 VanDerWaalsContact C-N 3.32Å; E629-L631 PolarHBondContact O-N 3.21Å
632	R	60.4	Low	68.2	Low	203 Å²	203	83.6 Å²	83.6	77%	0.766	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-92.7	121.8	173.5	-66.4	-178.4	-179.7	177.8	0.2	108.6
633	E	68.8	Low	69.5	Low	110 Å²	110	76.9 Å²	76.9	51%	0.514	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-66.4	146	171.8	-66.6	179.5	-129.4	0	0	110.2
634	M	65.8	Low	70.4	Confident	53 Å²	53	75.8 Å²	75.8	26%	0.261	40%	0.398	S	S	.	.			trans	-110.9	91.5	179.3	-70.5	-167.6	71	0	0	111.9	P495 E497 S636 I637	P495-M634 PolarHBondContact O-N 3.3Å; E497-M634 VanDerWaalsContact CA-SD 3.5Å; E497-M634 HydrophobicContact CB-CG 4.37Å; E497-M634 HydrophobicContact CB-SD 3.7Å; E497-M634 HydrophobicContact CG-SD 4.35Å; E497-M634 PolarHBondContact N-SD 3.02Å; M634-S636 PolarHBondContact O-N 3.09Å; M634-I637 HydrophobicContact CB-CD1 3.84Å; M634-I637 HydrophobicContact CB-CG1 4.01Å; M634-I637 HydrophobicContact CE-CD1 3.87Å; M634-I637 HydrophobicContact CE-CG1 4.28Å; M634-I637 HydrophobicContact CG-CD1 4.38Å; M634-I637 PolarHBondContact O-N 2.93Å; M634-I637 HydrophobicContact SD-CD1 3.68Å
635	D	60.8	Low	71.6	Confident	160 Å²	160	71.8 Å²	71.8	86%	0.856	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.6	178.3	-63.6	-42.1	0	0	0	114.5
636	S	65.8	Low	72.8	Confident	103 Å²	103	73.7 Å²	73.7	72%	0.72	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.8	-179.2	58	0	0	0	0	114.6	M634	M634-S636 PolarHBondContact O-N 3.09Å
637	I	77.4	Confident	74.1	Confident	20 Å²	20	74.7 Å²	74.7	10%	0.103	39%	0.387	C	S	.	.	S	Bend	trans	-104.8	126.7	-175.7	-60.6	-175	0	0	0	110.5	F487 P495 M634 T639	F487-I637 HydrophobicContact CB-CD1 3.43Å; F487-I637 VanDerWaalsContact CB-CD1 3.43Å; F487-I637 HydrophobicContact CD1-CD1 3.85Å; F487-I637 HydrophobicContact CD1-CG2 4.13Å; F487-I637 HydrophobicContact CD2-CD1 4.35Å; F487-I637 HydrophobicContact CD2-CG2 4.25Å; F487-I637 HydrophobicContact CE1-CG2 3.96Å; F487-I637 HydrophobicContact CE2-CG2 4.09Å; F487-I637 HydrophobicContact CG-CD1 3.65Å; F487-I637 HydrophobicContact CG-CG2 4.27Å; F487-I637 HydrophobicContact CZ-CG2 3.93Å; P495-I637 HydrophobicContact CB-CB 4.14Å; P495-I637 HydrophobicContact CB-CD1 4.39Å; P495-I637 HydrophobicContact CB-CG2 4.06Å; P495-I637 HydrophobicContact CG-CB 4.16Å; P495-I637 HydrophobicContact CG-CG2 4.41Å; M634-I637 HydrophobicContact CB-CD1 3.84Å; M634-I637 HydrophobicContact CB-CG1 4.01Å; M634-I637 HydrophobicContact CE-CD1 3.87Å; M634-I637 HydrophobicContact CE-CG1 4.28Å; M634-I637 HydrophobicContact CG-CD1 4.38Å; M634-I637 PolarHBondContact O-N 2.93Å; M634-I637 HydrophobicContact SD-CD1 3.68Å; I637-T639 PolarHBondContact O-N 2.88Å
638	N	80.7	Confident	76.1	Confident	33 Å²	33	71 Å²	71	18%	0.176	36%	0.357	C	S	.	.			trans	-76.2	112.5	178.8	-175.4	9.8	0	0	0	111.2	E584 K640 E707	E584-N638 HydrophobicContact CB-CB 4.16Å; E584-N638 WeakPolarHBondContact OE2-CB 3.38Å; E584-N638 PolarHBondContact OE2-ND2 3.27Å; N638-K640 VanDerWaalsContact C-N 3.28Å; N638-K640 VanDerWaalsContact OD1-CB 3.28Å; N638-K640 WeakPolarHBondContact OD1-CB 3.17Å; N638-K640 PolarHBondContact OD1-N 3.21Å; N638-K640 VanDerWaalsContact OD1-N 3.09Å; N638-E707 PolarHBondContact ND2-OE1 2.86Å; N638-E707 PolarHBondContact ND2-OE2 3.3Å
639	T	84.8	Confident	78	Confident	16 Å²	16	66.2 Å²	66.2	10%	0.098	32%	0.32	C	S	.	.			trans	-87.9	9	177.2	53.7	0	0	0	0	113.9	P495 I637 D654 W655	P495-T639 HydrophobicContact CG-CG2 3.85Å; I637-T639 PolarHBondContact O-N 2.88Å; T639-D654 WeakPolarHBondContact CB-OD1 3.17Å; T639-D654 VanDerWaalsContact OG1-CG 3.23Å; T639-D654 PolarHBondContact OG1-OD1 2.85Å; T639-D654 PolarHBondContact OG1-OD2 3.09Å; T639-D654 VanDerWaalsContact OG1-OD2 3.09Å; T639-W655 HydrophobicContact CG2-CZ2 4.05Å; T639-W655 VanDerWaalsContact O-CD2 3.28Å; T639-W655 PolarHBondContact O-N 3.18Å
640	K	88.2	Confident	80	Confident	71 Å²	71	60.3 Å²	60.3	31%	0.309	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142	-174.2	-55.3	176.8	-174.2	170.4	0	111.7	N638 Y652 S653 F671 R686	N638-K640 VanDerWaalsContact C-N 3.28Å; N638-K640 VanDerWaalsContact OD1-CB 3.28Å; N638-K640 WeakPolarHBondContact OD1-CB 3.17Å; N638-K640 PolarHBondContact OD1-N 3.21Å; N638-K640 VanDerWaalsContact OD1-N 3.09Å; K640-Y652 HydrophobicContact CB-CE2 3.72Å; K640-Y652 HydrophobicContact CD-CE1 4.21Å; K640-Y652 VanDerWaalsContact CD-OH 3.28Å; K640-Y652 WeakPolarHBondContact CD-OH 3.4Å; K640-S653 VanDerWaalsContact CA-O 3.32Å; K640-S653 WeakPolarHBondContact CA-O 3.35Å; K640-F671 HydrophobicContact CD-CE2 3.97Å; K640-F671 HydrophobicContact CG-CE2 4.16Å; K640-R686 PolarHBondContact O-NH2 3.01Å
641	F	90.7	Very high	82.1	Confident	3 Å²	3	50.3 Å²	50.3	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.4	-173.6	68.9	-74.4	0	0	0	111.3	L515 V565 L567 F581 F583 V643 S653 W655	L515-F641 HydrophobicContact CD1-CE2 4.24Å; L515-F641 HydrophobicContact CD2-CD2 4.1Å; L515-F641 HydrophobicContact CD2-CE2 3.53Å; L515-F641 HydrophobicContact CD2-CZ 4.26Å; V565-F641 HydrophobicContact CG1-CZ 4.22Å; L567-F641 HydrophobicContact CD2-CZ 4.16Å; F581-F641 HydrophobicContact CB-CD2 4.44Å; F583-F641 HydrophobicContact CB-CB 3.8Å; F641-V643 HydrophobicContact CD2-CG2 3.4Å; F641-V643 HydrophobicContact CE2-CG2 3.23Å; F641-V643 HydrophobicContact CZ-CG2 4.33Å; F641-S653 VanDerWaalsContact CD1-O 3.25Å; F641-S653 WeakPolarHBondContact CD1-O 3.41Å; F641-S653 PolarHBondContact N-O 2.99Å; F641-S653 PolarHBondContact O-N 3.05Å; F641-S653 VanDerWaalsContact O-N 3.07Å; F641-W655 HydrophobicContact CB-CE3 4.38Å; F641-W655 HydrophobicContact CB-CZ3 4.32Å; F641-W655 HydrophobicContact CD1-CB 4.4Å; F641-W655 AromaticContact CD1-CE3 3.77Å; F641-W655 HydrophobicContact CD1-CE3 3.77Å; F641-W655 HydrophobicContact CE1-CB 3.96Å; F641-W655 HydrophobicContact CE1-CE3 4.42Å; F641-W655 HydrophobicContact CG-CE3 4.3Å
642	F	92.6	Very high	83.7	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.8	173.3	-70.8	-92.1	0	0	0	109.8	F581 S582 I650 I651 Y652 V684 L694 E707	F581-F642 CarbonylContact C-O 3.38Å; F581-F642 WeakPolarHBondContact CA-O 2.96Å; S582-F642 PolarHBondContact N-O 3.29Å; S582-F642 PolarHBondContact O-N 2.78Å; F642-I650 HydrophobicContact CD1-CG2 4.16Å; F642-I651 CarbonylContact C-O 3.56Å; F642-I651 VanDerWaalsContact CA-O 3.28Å; F642-I651 WeakPolarHBondContact CA-O 3.3Å; F642-Y652 AromaticContact CD1-CD2 3.92Å; F642-Y652 HydrophobicContact CD1-CD2 3.92Å; F642-Y652 HydrophobicContact CD1-CG 4.44Å; F642-Y652 AromaticContact CD2-CD2 3.9Å; F642-Y652 HydrophobicContact CD2-CD2 3.9Å; F642-Y652 HydrophobicContact CD2-CE2 4.22Å; F642-Y652 AromaticContact CE1-CD2 3.59Å; F642-Y652 HydrophobicContact CE1-CD2 3.59Å; F642-Y652 HydrophobicContact CE1-CE2 4.32Å; F642-Y652 HydrophobicContact CE1-CG 4.02Å; F642-Y652 AromaticContact CE2-CD2 3.56Å; F642-Y652 HydrophobicContact CE2-CD2 3.56Å; F642-Y652 AromaticContact CE2-CE2 3.6Å; F642-Y652 HydrophobicContact CE2-CE2 3.6Å; F642-Y652 HydrophobicContact CG-CD2 4.07Å; F642-Y652 AromaticContact CZ-CD2 3.4Å; F642-Y652 HydrophobicContact CZ-CD2 3.4Å; F642-Y652 AromaticContact CZ-CE2 3.66Å; F642-Y652 HydrophobicContact CZ-CE2 3.66Å; F642-Y652 HydrophobicContact CZ-CG 4.16Å; F642-V684 HydrophobicContact CB-CG1 4.2Å; F642-L694 HydrophobicContact CB-CD1 4.46Å; F642-L694 HydrophobicContact CB-CD2 3.63Å; F642-L694 HydrophobicContact CD1-CD2 3.78Å; F642-L694 HydrophobicContact CD2-CD2 3.95Å; F642-L694 HydrophobicContact CE1-CD2 4.39Å; F642-L694 HydrophobicContact CG-CD2 3.52Å; F642-E707 HydrophobicContact CE2-CB 4.35Å; F642-E707 HydrophobicContact CE2-CG 4.23Å
643	V	93.8	Very high	85.1	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.2	178.2	-170.4	0	0	0	0	109.3	L567 P578 K580 F581 F641 I650 I651	L567-V643 HydrophobicContact CD1-CB 4.35Å; L567-V643 HydrophobicContact CD1-CG1 3.96Å; L567-V643 HydrophobicContact CD1-CG2 4.12Å; P578-V643 HydrophobicContact CB-CG1 3.41Å; P578-V643 VanDerWaalsContact CB-CG1 3.41Å; K580-V643 CarbonylContact O-C 3.59Å; K580-V643 WeakPolarHBondContact O-CA 2.93Å; K580-V643 WeakPolarHBondContact O-CG1 3.33Å; F581-V643 HydrophobicContact CB-CG2 4.19Å; F641-V643 HydrophobicContact CD2-CG2 3.4Å; F641-V643 HydrophobicContact CE2-CG2 3.23Å; F641-V643 HydrophobicContact CZ-CG2 4.33Å; V643-I650 WeakPolarHBondContact O-CA 3.17Å; V643-I651 HydrophobicContact CB-CB 4.26Å; V643-I651 PolarHBondContact N-O 2.94Å; V643-I651 PolarHBondContact O-N 2.88Å
644	G	94.2	Very high	86.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.3	170.4	0	0	0	0	0	111.1	M579 K580	M579-G644 PolarHBondContact N-O 2.83Å; K580-G644 PolarHBondContact N-O 2.91Å; K580-G644 PolarHBondContact O-N 2.84Å
645	T	93.7	Very high	87.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	171.2	-177.8	76	0	0	0	0	114	Y576 V577 N647 G648 E649 I651 L680 V681	Y576-T645 HydrophobicContact CD1-CG2 4.2Å; Y576-T645 HydrophobicContact CG-CG2 4.45Å; V577-T645 WeakPolarHBondContact O-CA 3.29Å; V577-T645 WeakPolarHBondContact O-CB 3.46Å; T645-N647 PolarHBondContact O-N 2.85Å; T645-N647 PolarHBondContact OG1-N 3.3Å; T645-N647 VanDerWaalsContact OG1-N 3.13Å; T645-G648 PolarHBondContact O-N 2.9Å; T645-E649 HydrophobicContact CG2-CB 3.94Å; T645-E649 PolarHBondContact N-O 2.76Å; T645-E649 VanDerWaalsContact OG1-CB 3.28Å; T645-E649 WeakPolarHBondContact OG1-CB 3.46Å; T645-E649 PolarHBondContact OG1-N 2.84Å; T645-E649 VanDerWaalsContact OG1-N 3.11Å; T645-E649 PolarHBondContact OG1-OE2 2.77Å; T645-E649 VanDerWaalsContact OG1-OE2 3.08Å; T645-I651 HydrophobicContact CG2-CD1 3.39Å; T645-I651 HydrophobicContact CG2-CG1 4.07Å; T645-L680 WeakPolarHBondContact O-CA 3.38Å; T645-V681 PolarHBondContact O-N 3.45Å
646	E	91.8	Very high	88.4	Confident	98 Å²	98	27.7 Å²	27.7	46%	0.458	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.6	168.5	-169.5	175.9	-158	0	0	113	V577 M579 L680	V577-E646 HydrophobicContact CB-CB 4.26Å; V577-E646 HydrophobicContact CG1-CB 4.11Å; V577-E646 PolarHBondContact O-N 3.21Å; V577-E646 VanDerWaalsContact O-N 3.13Å; M579-E646 HydrophobicContact CG-CB 4.12Å; M579-E646 HydrophobicContact SD-CB 4.17Å; E646-L680 HydrophobicContact CG-CB 4.47Å; E646-L680 WeakPolarHBondContact O-CA 3.36Å; E646-L680 VanDerWaalsContact O-CB 3.31Å; E646-L680 WeakPolarHBondContact O-CB 3.29Å; E646-L680 PolarHBondContact O-N 3.27Å; E646-L680 VanDerWaalsContact O-N 3.16Å
647	N	89.3	Confident	89.4	Confident	81 Å²	81	24.3 Å²	24.3	43%	0.433	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	7.4	-177.7	-49	-56.7	0	0	0	113.9	T645 E649	T645-N647 PolarHBondContact O-N 2.85Å; T645-N647 PolarHBondContact OG1-N 3.3Å; T645-N647 VanDerWaalsContact OG1-N 3.13Å; N647-E649 VanDerWaalsContact C-N 3.29Å; N647-E649 HydrophobicContact CB-CG 4.12Å; N647-E649 WeakPolarHBondContact CB-OE2 3.38Å; N647-E649 PolarHBondContact ND2-OE2 3.11Å; N647-E649 PolarHBondContact O-N 3.09Å
648	G	89.8	Confident	89.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	77	10.8	-174.3	0	0	0	0	0	115.3	T645 H677 W679	T645-G648 PolarHBondContact O-N 2.9Å; G648-H677 WeakPolarHBondContact CA-O 3.15Å; G648-H677 PolarHBondContact O-N 3.49Å; G648-W679 WeakPolarHBondContact CA-O 3.26Å
649	E	91.9	Very high	89.6	Confident	28 Å²	28	30.6 Å²	30.6	13%	0.131	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.2	175.4	-53.8	156.5	118.8	0	0	109.8	K569 Y576 T645 N647 F674	K569-E649 IonicContact NZ-OE1 3.88Å; K569-E649 PolarHBondContact NZ-OE1 2.97Å; K569-E649 IonicContact NZ-OE2 2.55Å; K569-E649 PolarHBondContact NZ-OE2 2.93Å; Y576-E649 WeakPolarHBondContact CD1-OE2 3.33Å; Y576-E649 VanDerWaalsContact CE1-OE1 3.31Å; Y576-E649 WeakPolarHBondContact CE1-OE1 3.49Å; T645-E649 HydrophobicContact CG2-CB 3.94Å; T645-E649 PolarHBondContact N-O 2.76Å; T645-E649 VanDerWaalsContact OG1-CB 3.28Å; T645-E649 WeakPolarHBondContact OG1-CB 3.46Å; T645-E649 PolarHBondContact OG1-N 2.84Å; T645-E649 VanDerWaalsContact OG1-N 3.11Å; T645-E649 PolarHBondContact OG1-OE2 2.77Å; T645-E649 VanDerWaalsContact OG1-OE2 3.08Å; N647-E649 VanDerWaalsContact C-N 3.29Å; N647-E649 HydrophobicContact CB-CG 4.12Å; N647-E649 WeakPolarHBondContact CB-OE2 3.38Å; N647-E649 PolarHBondContact ND2-OE2 3.11Å; N647-E649 PolarHBondContact O-N 3.09Å; E649-F674 CarbonylContact C-O 3.56Å; E649-F674 WeakPolarHBondContact CA-O 3.39Å
650	I	92.9	Very high	89.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.6	168.2	-59.1	-58.2	0	0	0	109	F642 V643 C673 F674 V681 T696 W705	F642-I650 HydrophobicContact CD1-CG2 4.16Å; V643-I650 WeakPolarHBondContact O-CA 3.17Å; I650-C673 CarbonylContact O-C 3.51Å; I650-C673 WeakPolarHBondContact O-CA 3.4Å; I650-F674 PolarHBondContact N-O 2.6Å; I650-F674 PolarHBondContact O-N 2.91Å; I650-V681 HydrophobicContact CD1-CB 4.4Å; I650-V681 HydrophobicContact CD1-CG1 3.79Å; I650-V681 HydrophobicContact CD1-CG2 3.83Å; I650-T696 HydrophobicContact CD1-CG2 3.8Å; I650-T696 HydrophobicContact CG1-CG2 4.42Å; I650-W705 HydrophobicContact CB-CH2 4.23Å; I650-W705 HydrophobicContact CB-CZ2 3.91Å; I650-W705 HydrophobicContact CG1-CH2 4.4Å; I650-W705 HydrophobicContact CG1-CZ2 3.65Å; I650-W705 HydrophobicContact CG2-CH2 4.5Å; I650-W705 HydrophobicContact CG2-CZ2 4.15Å
651	I	91.8	Very high	88.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.5	-177.6	-56.1	163.8	0	0	0	109.1	L567 Y576 F642 V643 T645 P670 A672	L567-I651 HydrophobicContact CD1-CD1 4.46Å; Y576-I651 VanDerWaalsContact CB-CD1 3.41Å; Y576-I651 HydrophobicContact CD1-CD1 3.76Å; Y576-I651 HydrophobicContact CD1-CG1 4.35Å; Y576-I651 HydrophobicContact CD2-CD1 3.52Å; Y576-I651 HydrophobicContact CD2-CG1 4.27Å; Y576-I651 HydrophobicContact CE1-CD1 4.37Å; Y576-I651 HydrophobicContact CE2-CD1 4.14Å; Y576-I651 HydrophobicContact CE2-CG1 4.4Å; Y576-I651 HydrophobicContact CG-CD1 3.31Å; Y576-I651 HydrophobicContact CG-CG1 4.24Å; F642-I651 CarbonylContact C-O 3.56Å; F642-I651 VanDerWaalsContact CA-O 3.28Å; F642-I651 WeakPolarHBondContact CA-O 3.3Å; V643-I651 HydrophobicContact CB-CB 4.26Å; V643-I651 PolarHBondContact N-O 2.94Å; V643-I651 PolarHBondContact O-N 2.88Å; T645-I651 HydrophobicContact CG2-CD1 3.39Å; T645-I651 HydrophobicContact CG2-CG1 4.07Å; I651-P670 HydrophobicContact CG2-CB 3.5Å; I651-P670 HydrophobicContact CG2-CG 3.83Å; I651-A672 WeakPolarHBondContact CA-O 3.36Å
652	Y	92	Very high	87.9	Confident	14 Å²	14	43.3 Å²	43.3	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.2	169.8	179.9	-117	0	0	0	109.7	K640 F642 P670 F671 A672 E707 M710	K640-Y652 HydrophobicContact CB-CE2 3.72Å; K640-Y652 HydrophobicContact CD-CE1 4.21Å; K640-Y652 VanDerWaalsContact CD-OH 3.28Å; K640-Y652 WeakPolarHBondContact CD-OH 3.4Å; F642-Y652 AromaticContact CD1-CD2 3.92Å; F642-Y652 HydrophobicContact CD1-CD2 3.92Å; F642-Y652 HydrophobicContact CD1-CG 4.44Å; F642-Y652 AromaticContact CD2-CD2 3.9Å; F642-Y652 HydrophobicContact CD2-CD2 3.9Å; F642-Y652 HydrophobicContact CD2-CE2 4.22Å; F642-Y652 AromaticContact CE1-CD2 3.59Å; F642-Y652 HydrophobicContact CE1-CD2 3.59Å; F642-Y652 HydrophobicContact CE1-CE2 4.32Å; F642-Y652 HydrophobicContact CE1-CG 4.02Å; F642-Y652 AromaticContact CE2-CD2 3.56Å; F642-Y652 HydrophobicContact CE2-CD2 3.56Å; F642-Y652 AromaticContact CE2-CE2 3.6Å; F642-Y652 HydrophobicContact CE2-CE2 3.6Å; F642-Y652 HydrophobicContact CG-CD2 4.07Å; F642-Y652 AromaticContact CZ-CD2 3.4Å; F642-Y652 HydrophobicContact CZ-CD2 3.4Å; F642-Y652 AromaticContact CZ-CE2 3.66Å; F642-Y652 HydrophobicContact CZ-CE2 3.66Å; F642-Y652 HydrophobicContact CZ-CG 4.16Å; Y652-P670 CarbonylContact O-C 3.59Å; Y652-F671 HydrophobicContact CD1-CB 4.08Å; Y652-F671 AromaticContact CD1-CD2 3.87Å; Y652-F671 HydrophobicContact CD1-CD2 3.87Å; Y652-F671 HydrophobicContact CD1-CG 4.44Å; Y652-F671 HydrophobicContact CE1-CD2 4.01Å; Y652-F671 PolarHBondContact O-N 3.37Å; Y652-A672 PolarHBondContact N-O 3.25Å; Y652-A672 PolarHBondContact O-N 3.01Å; Y652-E707 HydrophobicContact CE2-CG 4.05Å; Y652-E707 WeakPolarHBondContact OH-CG 3.36Å; Y652-M710 HydrophobicContact CD1-CE 3.34Å; Y652-M710 HydrophobicContact CD1-SD 3.78Å; Y652-M710 HydrophobicContact CE1-CE 3.92Å; Y652-M710 HydrophobicContact CE1-SD 3.7Å; Y652-M710 HydrophobicContact CG-CE 4.07Å
653	S	90.6	Very high	86.8	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	164.2	-170.5	-160.8	0	0	0	0	111.8	K640 F641	K640-S653 VanDerWaalsContact CA-O 3.32Å; K640-S653 WeakPolarHBondContact CA-O 3.35Å; F641-S653 VanDerWaalsContact CD1-O 3.25Å; F641-S653 WeakPolarHBondContact CD1-O 3.41Å; F641-S653 PolarHBondContact N-O 2.99Å; F641-S653 PolarHBondContact O-N 3.05Å; F641-S653 VanDerWaalsContact O-N 3.07Å
654	D	89.7	Confident	85.9	Confident	17 Å²	17	54.3 Å²	54.3	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	148.2	167.6	-146.7	-57.8	0	0	0	110.1	T639 K656 S668 F671	T639-D654 WeakPolarHBondContact CB-OD1 3.17Å; T639-D654 VanDerWaalsContact OG1-CG 3.23Å; T639-D654 PolarHBondContact OG1-OD1 2.85Å; T639-D654 PolarHBondContact OG1-OD2 3.09Å; T639-D654 VanDerWaalsContact OG1-OD2 3.09Å; D654-K656 WeakPolarHBondContact OD1-CB 3.38Å; D654-K656 PolarHBondContact OD1-N 3.05Å; D654-S668 PolarHBondContact O-OG 3.31Å; D654-S668 VanDerWaalsContact O-OG 3.05Å; D654-F671 HydrophobicContact CB-CE2 3.82Å; D654-F671 HydrophobicContact CB-CZ 3.89Å
655	W	89.2	Confident	85.1	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.015	31%	0.313	C	S	.	.			trans	-94.1	-11	170.5	66.2	65.1	0	0	0	113.1	F487 G493 F517 V565 F583 T639 F641 M657	F487-W655 HydrophobicContact CE2-CZ2 4.2Å; F487-W655 HydrophobicContact CZ-CZ2 4.39Å; G493-W655 PolarHBondContact O-NE1 2.89Å; F517-W655 HydrophobicContact CE1-CD2 4.42Å; F517-W655 HydrophobicContact CE1-CG 4.41Å; F517-W655 HydrophobicContact CE2-CB 4.1Å; F517-W655 HydrophobicContact CE2-CG 4.39Å; F517-W655 HydrophobicContact CZ-CB 3.85Å; F517-W655 AromaticContact CZ-CD2 3.85Å; F517-W655 HydrophobicContact CZ-CD2 3.85Å; F517-W655 HydrophobicContact CZ-CE3 4.24Å; F517-W655 AromaticContact CZ-CG 3.67Å; F517-W655 HydrophobicContact CZ-CG 3.67Å; V565-W655 HydrophobicContact CG2-CB 4.04Å; F583-W655 HydrophobicContact CB-CH2 4.19Å; F583-W655 HydrophobicContact CB-CZ3 3.61Å; F583-W655 HydrophobicContact CD2-CH2 4.12Å; F583-W655 HydrophobicContact CD2-CZ3 4.29Å; F583-W655 HydrophobicContact CG-CH2 4.37Å; F583-W655 HydrophobicContact CG-CZ3 4.06Å; T639-W655 HydrophobicContact CG2-CZ2 4.05Å; T639-W655 VanDerWaalsContact O-CD2 3.28Å; T639-W655 PolarHBondContact O-N 3.18Å; F641-W655 HydrophobicContact CB-CE3 4.38Å; F641-W655 HydrophobicContact CB-CZ3 4.32Å; F641-W655 HydrophobicContact CD1-CB 4.4Å; F641-W655 AromaticContact CD1-CE3 3.77Å; F641-W655 HydrophobicContact CD1-CE3 3.77Å; F641-W655 HydrophobicContact CE1-CB 3.96Å; F641-W655 HydrophobicContact CE1-CE3 4.42Å; F641-W655 HydrophobicContact CG-CE3 4.3Å; W655-M657 PolarHBondContact O-N 3.32Å
656	K	86.7	Confident	84.5	Confident	86 Å²	86	60.3 Å²	60.3	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	-56.8	129.5	173.9	-177.3	162.5	173.8	151.7	0	109.4	L494 D654	L494-K656 HydrophobicContact CD2-CD 3.85Å; L494-K656 HydrophobicContact CD2-CG 4.14Å; D654-K656 WeakPolarHBondContact OD1-CB 3.38Å; D654-K656 PolarHBondContact OD1-N 3.05Å
657	M	85.1	Confident	84.2	Confident	31 Å²	31	56.3 Å²	56.3	15%	0.153	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.9	-178.7	-57.5	-165.2	81	0	0	110	L492 F563 W655 P665 H666	L492-M657 WeakPolarHBondContact O-CB 3.35Å; L492-M657 PolarHBondContact O-N 3.25Å; F563-M657 HydrophobicContact CB-SD 4.02Å; F563-M657 HydrophobicContact CD2-CG 4.29Å; F563-M657 HydrophobicContact CD2-SD 3.86Å; F563-M657 HydrophobicContact CG-SD 4.19Å; W655-M657 PolarHBondContact O-N 3.32Å; M657-P665 HydrophobicContact CB-CB 3.96Å; M657-P665 HydrophobicContact CE-CB 3.98Å; M657-P665 HydrophobicContact SD-CB 4.01Å; M657-H666 CarbonylContact C-O 3.49Å; M657-H666 VanDerWaalsContact CA-O 3.27Å; M657-H666 WeakPolarHBondContact CA-O 3.42Å; M657-H666 WeakPolarHBondContact CB-O 3.29Å
658	E	82.8	Confident	83.8	Confident	95 Å²	95	52.7 Å²	52.7	44%	0.444	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	152.2	174.3	-71.8	178	154.5	0	0	109.2	P665 H666 S668	E658-P665 CarbonylContact O-C 3.55Å; E658-P665 VanDerWaalsContact O-CA 3.3Å; E658-P665 WeakPolarHBondContact O-CA 3.49Å; E658-H666 WeakPolarHBondContact CB-CE1 3.38Å; E658-H666 PolarHBondContact N-O 2.93Å; E658-H666 PolarHBondContact O-CD2 2.75Å; E658-H666 PolarHBondContact O-N 3.47Å; E658-H666 IonicContact OE2-CE1 3.91Å; E658-H666 PolarHBondContact OE2-CE1 2.9Å; E658-S668 WeakPolarHBondContact OE2-CA 3.49Å
659	S	80	Confident	83.6	Confident	91 Å²	91	59 Å²	59	64%	0.636	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	122.3	177.2	-66.2	0	0	0	0	110.6	R664	S659-R664 WeakPolarHBondContact CA-O 3.4Å
660	D	77.8	Confident	83.3	Confident	75 Å²	75	58 Å²	58	40%	0.401	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-55	162	168.1	-79.5	-53.2	0	0	0	110.8	S662 G663 R664 H666	D660-S662 PolarHBondContact O-N 2.71Å; D660-G663 PolarHBondContact O-N 3.49Å; D660-R664 HydrophobicContact CB-CB 4.43Å; D660-R664 PolarHBondContact N-O 3.38Å; D660-H666 PolarHBondContact N-CD2 3.06Å; D660-H666 IonicContact OD1-CD2 3.53Å; D660-H666 PolarHBondContact OD1-CD2 2.63Å; D660-H666 IonicContact OD1-NE2 3.21Å; D660-H666 IonicContact OD2-CD2 2.87Å
661	D	74.8	Confident	83	Confident	183 Å²	183	62.9 Å²	62.9	98%	0.979	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-19.7	165.7	-65.7	-41.6	0	0	0	113.4
662	S	75.6	Confident	82.7	Confident	99 Å²	99	63 Å²	63	69%	0.692	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	8.2	175.7	-61.1	0	0	0	0	114.6	D660 R664	D660-S662 PolarHBondContact O-N 2.71Å; S662-R664 VanDerWaalsContact C-N 3.27Å; S662-R664 PolarHBondContact O-N 2.85Å
663	G	70.3	Confident	82.5	Confident	59 Å²	59	63.1 Å²	63.1	61%	0.608	34%	0.339	S	S	*	.	S	Bend	trans	66.7	22.4	-178.2	0	0	0	0	0	114.6	D660	D660-G663 PolarHBondContact O-N 3.49Å
664	R	74.4	Confident	82.3	Confident	178 Å²	178	63.9 Å²	63.9	67%	0.672	34%	0.342	S	S	*	.			trans	-98.8	135.3	178.7	-67.4	-176.4	177.7	-172.8	-0.9	110.1	S659 D660 S662 H666	S659-R664 WeakPolarHBondContact CA-O 3.4Å; D660-R664 HydrophobicContact CB-CB 4.43Å; D660-R664 PolarHBondContact N-O 3.38Å; S662-R664 VanDerWaalsContact C-N 3.27Å; S662-R664 PolarHBondContact O-N 2.85Å; R664-H666 PolarHBondContact O-N 3.03Å
665	P	77.6	Confident	82.2	Confident	66 Å²	66	67.4 Å²	67.4	43%	0.429	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.2	176.1	29.4	-33.1	0	0	0	110.8	L492 M657 E658	L492-P665 HydrophobicContact CD2-CB 4.15Å; L492-P665 HydrophobicContact CD2-CG 4.44Å; M657-P665 HydrophobicContact CB-CB 3.96Å; M657-P665 HydrophobicContact CE-CB 3.98Å; M657-P665 HydrophobicContact SD-CB 4.01Å; E658-P665 CarbonylContact O-C 3.55Å; E658-P665 VanDerWaalsContact O-CA 3.3Å; E658-P665 WeakPolarHBondContact O-CA 3.49Å
666	H	81.6	Confident	82	Confident	61 Å²	61	68.3 Å²	68.3	28%	0.282	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	166.6	169.5	69.1	85.9	0	0	0	110.8	M657 E658 D660 R664	M657-H666 CarbonylContact C-O 3.49Å; M657-H666 VanDerWaalsContact CA-O 3.27Å; M657-H666 WeakPolarHBondContact CA-O 3.42Å; M657-H666 WeakPolarHBondContact CB-O 3.29Å; E658-H666 WeakPolarHBondContact CB-CE1 3.38Å; E658-H666 PolarHBondContact N-O 2.93Å; E658-H666 PolarHBondContact O-CD2 2.75Å; E658-H666 PolarHBondContact O-N 3.47Å; E658-H666 IonicContact OE2-CE1 3.91Å; E658-H666 PolarHBondContact OE2-CE1 2.9Å; D660-H666 PolarHBondContact N-CD2 3.06Å; D660-H666 IonicContact OD1-CD2 3.53Å; D660-H666 PolarHBondContact OD1-CD2 2.63Å; D660-H666 IonicContact OD1-NE2 3.21Å; D660-H666 IonicContact OD2-CD2 2.87Å; R664-H666 PolarHBondContact O-N 3.03Å
667	S	84	Confident	82.1	Confident	13 Å²	13	64.3 Å²	64.3	9%	0.091	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.3	172.5	-50.6	0	0	0	0	110.1	V565 S566	V565-S667 WeakPolarHBondContact CA-OG 3.48Å; S566-S667 PolarHBondContact N-OG 3.1Å; S566-S667 PolarHBondContact OG-OG 3.19Å
668	S	82.1	Confident	81.9	Confident	5 Å²	5	66.7 Å²	66.7	4%	0.035	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-60.9	153.3	171.9	67.5	0	0	0	0	111.2	D654 E658	D654-S668 PolarHBondContact O-OG 3.31Å; D654-S668 VanDerWaalsContact O-OG 3.05Å; E658-S668 WeakPolarHBondContact OE2-CA 3.49Å
669	K	84.3	Confident	82	Confident	134 Å²	134	69.7 Å²	69.7	58%	0.583	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-75.3	140.2	170.7	-69.9	-172.4	177.6	-175.7	0	110	F671	K669-F671 PolarHBondContact O-N 3.41Å
670	P	86.9	Confident	82.4	Confident	6 Å²	6	68.6 Å²	68.6	4%	0.039	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-57.2	135	175.5	-25.5	34.6	0	0	0	112.7	S568 I570 Y576 I651 Y652 A672	S568-P670 VanDerWaalsContact O-CD 3.3Å; S568-P670 WeakPolarHBondContact O-CD 3.04Å; I570-P670 HydrophobicContact CD1-CB 4.48Å; I570-P670 WeakPolarHBondContact CD1-O 3.2Å; I570-P670 HydrophobicContact CG1-CB 4.43Å; Y576-P670 HydrophobicContact CE2-CG 4.35Å; I651-P670 HydrophobicContact CG2-CB 3.5Å; I651-P670 HydrophobicContact CG2-CG 3.83Å; Y652-P670 CarbonylContact O-C 3.59Å; P670-A672 VanDerWaalsContact C-N 3.33Å
671	F	85.6	Confident	83.2	Confident	102 Å²	102	65 Å²	65	45%	0.447	34%	0.335	S	S	.	.	S	Bend	trans	-67.5	-35.9	179.9	-56.6	-62.8	0	0	0	112	K640 Y652 D654 K669	K640-F671 HydrophobicContact CD-CE2 3.97Å; K640-F671 HydrophobicContact CG-CE2 4.16Å; Y652-F671 HydrophobicContact CD1-CB 4.08Å; Y652-F671 AromaticContact CD1-CD2 3.87Å; Y652-F671 HydrophobicContact CD1-CD2 3.87Å; Y652-F671 HydrophobicContact CD1-CG 4.44Å; Y652-F671 HydrophobicContact CE1-CD2 4.01Å; Y652-F671 PolarHBondContact O-N 3.37Å; D654-F671 HydrophobicContact CB-CE2 3.82Å; D654-F671 HydrophobicContact CB-CZ 3.89Å; K669-F671 PolarHBondContact O-N 3.41Å
672	A	85.6	Confident	83.9	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.033	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.5	178.6	0	0	0	0	0	112.4	I651 Y652 P670 F674 M710	I651-A672 WeakPolarHBondContact CA-O 3.36Å; Y652-A672 PolarHBondContact N-O 3.25Å; Y652-A672 PolarHBondContact O-N 3.01Å; P670-A672 VanDerWaalsContact C-N 3.33Å; A672-F674 HydrophobicContact CB-CD2 4.37Å; A672-F674 HydrophobicContact CB-CE2 3.58Å; A672-F674 HydrophobicContact CB-CZ 3.73Å; A672-M710 HydrophobicContact CB-CE 3.37Å
673	C	88.1	Confident	84.7	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.3	170.6	179.6	0	0	0	0	106.6	I570 Y576 I650	I570-C673 HydrophobicContact CD1-CB 3.83Å; Y576-C673 VanDerWaalsContact CE1-SG 3.57Å; Y576-C673 VanDerWaalsContact OH-CB 3.32Å; Y576-C673 WeakPolarHBondContact OH-CB 3.25Å; Y576-C673 PolarHBondContact OH-SG 3.03Å; Y576-C673 VanDerWaalsContact OH-SG 3.35Å; I650-C673 CarbonylContact O-C 3.51Å; I650-C673 WeakPolarHBondContact O-CA 3.4Å
674	F	87.4	Confident	85.8	Confident	17 Å²	17	52.6 Å²	52.6	8%	0.075	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.9	-179.4	-54.3	-86	0	0	0	108.9	E649 I650 A672 W705 M710	E649-F674 CarbonylContact C-O 3.56Å; E649-F674 WeakPolarHBondContact CA-O 3.39Å; I650-F674 PolarHBondContact N-O 2.6Å; I650-F674 PolarHBondContact O-N 2.91Å; A672-F674 HydrophobicContact CB-CD2 4.37Å; A672-F674 HydrophobicContact CB-CE2 3.58Å; A672-F674 HydrophobicContact CB-CZ 3.73Å; F674-W705 HydrophobicContact CB-CH2 3.53Å; F674-W705 HydrophobicContact CB-CZ3 3.92Å; F674-W705 HydrophobicContact CD1-CH2 4.5Å; F674-W705 HydrophobicContact CD1-CZ3 4.1Å; F674-W705 HydrophobicContact CD2-CE3 4.42Å; F674-W705 AromaticContact CD2-CH2 3.99Å; F674-W705 HydrophobicContact CD2-CH2 3.99Å; F674-W705 AromaticContact CD2-CZ3 3.56Å; F674-W705 HydrophobicContact CD2-CZ3 3.56Å; F674-W705 HydrophobicContact CE2-CZ3 4.02Å; F674-W705 AromaticContact CG-CH2 3.79Å; F674-W705 HydrophobicContact CG-CH2 3.79Å; F674-W705 AromaticContact CG-CZ3 3.61Å; F674-W705 HydrophobicContact CG-CZ3 3.61Å; F674-W705 HydrophobicContact CZ-CZ3 4.46Å; F674-M710 WeakPolarHBondContact CE1-O 3.27Å; F674-M710 HydrophobicContact CE2-CE 4.28Å; F674-M710 HydrophobicContact CZ-CE 4.19Å; F674-M710 WeakPolarHBondContact CZ-O 3.3Å
675	N	86	Confident	86.6	Confident	90 Å²	90	46.7 Å²	46.7	48%	0.481	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	112.6	170.5	-169.8	1.4	0	0	0	108.2	H677	N675-H677 PolarHBondContact OD1-O 3.2Å
676	T	84.9	Confident	87.2	Confident	24 Å²	24	44.7 Å²	44.7	15%	0.147	21%	0.212	C	C	.	.			trans	-141.1	-24.5	-168	-58	0	0	0	0	113.5	N701 A703 W705 P713	T676-N701 PolarHBondContact O-ND2 3.12Å; T676-A703 HydrophobicContact CG2-CB 3.89Å; T676-W705 HydrophobicContact CG2-CH2 4.17Å; T676-W705 HydrophobicContact CG2-CZ2 3.77Å; T676-W705 WeakPolarHBondContact OG1-CH2 3.5Å; T676-P713 HydrophobicContact CG2-CG 4.24Å
677	H	89.4	Confident	87.6	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	20%	0.202	C	C	.	.			trans	-108.4	145.9	169.7	-62.7	-63.8	0	0	0	109.3	G648 N675 W679 V681 T696 G698 N701	G648-H677 WeakPolarHBondContact CA-O 3.15Å; G648-H677 PolarHBondContact O-N 3.49Å; N675-H677 PolarHBondContact OD1-O 3.2Å; H677-W679 VanDerWaalsContact C-N 3.31Å; H677-V681 HydrophobicContact CB-CG2 4.5Å; H677-T696 WeakPolarHBondContact NE2-CB 3.45Å; H677-T696 PolarHBondContact NE2-OG1 3.39Å; H677-G698 WeakPolarHBondContact CB-O 3.36Å; H677-G698 PolarHBondContact ND1-N 2.89Å; H677-G698 PolarHBondContact ND1-O 2.82Å; H677-G698 VanDerWaalsContact ND1-O 3.14Å; H677-N701 PolarHBondContact CE1-O 3.47Å; H677-N701 PolarHBondContact ND1-O 2.91Å; H677-N701 PolarHBondContact ND1-OD1 2.81Å
678	H	80.4	Confident	87.7	Confident	81 Å²	81	43.4 Å²	43.4	38%	0.375	21%	0.209	S	C	.	.	S	Bend	trans	-72.7	-23.9	177.7	-80.2	124.3	0	0	0	113.8	Y719	H678-Y719 AromaticContact CE1-CE1 3.44Å; H678-Y719 VanDerWaalsContact CE1-CE1 3.44Å; H678-Y719 WeakPolarHBondContact CE1-CE1 3.4Å; H678-Y719 AromaticContact CE1-CE2 3.84Å; H678-Y719 AromaticContact CE1-CZ 3.29Å; H678-Y719 PolarHBondContact CE1-OH 3.32Å; H678-Y719 AromaticContact ND1-CD1 3.96Å; H678-Y719 AromaticContact ND1-CE1 3.41Å; H678-Y719 WeakPolarHBondContact ND1-CE1 3.33Å; H678-Y719 AromaticContact ND1-CZ 3.77Å
679	W	85.1	Confident	88	Confident	157 Å²	157	46.6 Å²	46.6	60%	0.595	22%	0.222	S	C	*	.	S	Bend	trans	-144.9	177.6	-172.6	-64	117.8	0	0	0	110.3	G648 H677 W700	G648-W679 WeakPolarHBondContact CA-O 3.26Å; H677-W679 VanDerWaalsContact C-N 3.31Å; W679-W700 AromaticContact CD1-CD1 3.87Å; W679-W700 AromaticContact CD1-NE1 3.78Å; W679-W700 AromaticContact NE1-NE1 3.93Å
680	L	89.4	Confident	88.1	Confident	68 Å²	68	41.3 Å²	41.3	36%	0.356	20%	0.199	S	C	.	.			trans	-46.8	137.4	-171.4	79.9	101.8	0	0	0	114.3	M579 T645 E646 N682 G698	M579-L680 HydrophobicContact CE-CD1 4.34Å; T645-L680 WeakPolarHBondContact O-CA 3.38Å; E646-L680 HydrophobicContact CG-CB 4.47Å; E646-L680 WeakPolarHBondContact O-CA 3.36Å; E646-L680 VanDerWaalsContact O-CB 3.31Å; E646-L680 WeakPolarHBondContact O-CB 3.29Å; E646-L680 PolarHBondContact O-N 3.27Å; E646-L680 VanDerWaalsContact O-N 3.16Å; L680-N682 WeakPolarHBondContact CD1-OD1 3.4Å; L680-N682 PolarHBondContact O-N 2.72Å; L680-N682 VanDerWaalsContact O-N 3.14Å; L680-G698 WeakPolarHBondContact O-CA 3.34Å
681	V	93	Very high	88	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	97.5	-174.8	-172.9	0	0	0	0	109.8	T645 I650 H677 T683 V684 T697	T645-V681 PolarHBondContact O-N 3.45Å; I650-V681 HydrophobicContact CD1-CB 4.4Å; I650-V681 HydrophobicContact CD1-CG1 3.79Å; I650-V681 HydrophobicContact CD1-CG2 3.83Å; H677-V681 HydrophobicContact CB-CG2 4.5Å; V681-T683 WeakPolarHBondContact CG1-O 3.4Å; V681-V684 HydrophobicContact CG1-CG2 3.64Å; V681-T697 CarbonylContact C-O 3.56Å
682	N	90.8	Very high	88.2	Confident	54 Å²	54	43 Å²	43	29%	0.289	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	-33.7	-178.2	-68.5	-46.9	0	0	0	113.6	K580 L680 T697 C724 T725	K580-N682 WeakPolarHBondContact CG-O 3.47Å; L680-N682 WeakPolarHBondContact CD1-OD1 3.4Å; L680-N682 PolarHBondContact O-N 2.72Å; L680-N682 VanDerWaalsContact O-N 3.14Å; N682-T697 PolarHBondContact N-O 2.79Å; N682-C724 PolarHBondContact ND2-O 3.42Å; N682-T725 WeakPolarHBondContact CB-O 3.38Å
683	T	91.3	Very high	88.5	Confident	14 Å²	14	42.9 Å²	42.9	9%	0.086	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.5	-176.5	-52	0	0	0	0	111.2	V681 Q685 T696 T697 V726 G727	V681-T683 WeakPolarHBondContact CG1-O 3.4Å; T683-Q685 HydrophobicContact CG2-CB 4.11Å; T683-T696 VanDerWaalsContact O-CA 3.27Å; T683-T696 WeakPolarHBondContact O-CA 3.42Å; T683-T697 WeakPolarHBondContact CB-OG1 3.31Å; T683-T697 PolarHBondContact N-O 3.12Å; T683-T697 PolarHBondContact O-N 2.96Å; T683-T697 VanDerWaalsContact O-N 3.12Å; T683-T697 PolarHBondContact OG1-OG1 2.78Å; T683-V726 WeakPolarHBondContact OG1-CA 3.35Å; T683-G727 WeakPolarHBondContact CG2-O 3.29Å; T683-G727 PolarHBondContact OG1-N 2.74Å
684	V	93.9	Very high	88.7	Confident	13 Å²	13	42.1 Å²	42.1	8%	0.079	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	104	168.1	-179.5	0	0	0	0	106.4	K580 F642 V681 L694 T696	K580-V684 HydrophobicContact CB-CB 4.07Å; K580-V684 HydrophobicContact CB-CG2 3.78Å; F642-V684 HydrophobicContact CB-CG1 4.2Å; V681-V684 HydrophobicContact CG1-CG2 3.64Å; V684-L694 HydrophobicContact CG1-CD1 3.85Å; V684-L694 HydrophobicContact CG1-CD2 4.2Å; V684-L694 HydrophobicContact CG1-CG 4.43Å; V684-T696 HydrophobicContact CG1-CG2 4.42Å; V684-T696 HydrophobicContact CG2-CG2 4.3Å
685	Q	91.2	Very high	89	Confident	53 Å²	53	41.3 Å²	41.3	25%	0.248	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.4	-172.1	-164.8	-166.5	12.2	0	0	112.1	T683 L695 W729	T683-Q685 HydrophobicContact CG2-CB 4.11Å; Q685-L695 PolarHBondContact N-O 3.08Å; Q685-L695 PolarHBondContact O-N 3.43Å; Q685-W729 PolarHBondContact O-NE1 2.72Å; Q685-W729 VanDerWaalsContact O-NE1 3.16Å
686	R	90.6	Very high	89.4	Confident	24 Å²	24	37 Å²	37	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	149.5	170	-72.4	-172.5	-174.5	-128.1	5.9	111.5	F583 K640 K691 I693 L694 E707	F583-R686 VanDerWaalsContact C-NE 3.3Å; F583-R686 WeakPolarHBondContact O-CD 3.33Å; F583-R686 PolarHBondContact O-NE 3.39Å; K640-R686 PolarHBondContact O-NH2 3.01Å; R686-K691 PolarHBondContact NH1-O 2.91Å; R686-I693 CarbonylContact C-O 3.51Å; R686-I693 VanDerWaalsContact CA-O 3.29Å; R686-I693 WeakPolarHBondContact CA-O 3.22Å; R686-L694 HydrophobicContact CB-CD1 4.48Å; R686-L694 HydrophobicContact CG-CD1 3.68Å; R686-E707 IonicContact CZ-OE1 3.36Å; R686-E707 IonicContact CZ-OE2 3.85Å; R686-E707 IonicContact NH1-OE1 3.37Å; R686-E707 PolarHBondContact NH1-OE1 2.79Å; R686-E707 IonicContact NH1-OE2 3.31Å; R686-E707 PolarHBondContact NH1-OE2 3.31Å; R686-E707 IonicContact NH2-OE1 2.86Å; R686-E707 PolarHBondContact NH2-OE1 2.81Å; R686-E707 IonicContact NH2-OE2 2.68Å
687	S	90.4	Very high	89.8	Confident	10 Å²	10	35.9 Å²	35.9	7%	0.07	17%	0.169	C	C	.	.			trans	-65.9	138	177.5	177.7	0	0	0	0	111.1	F689 F690 I693	S687-F689 PolarHBondContact O-N 2.82Å; S687-F689 VanDerWaalsContact O-N 3.17Å; S687-F689 PolarHBondContact OG-N 2.79Å; S687-F690 PolarHBondContact OG-N 2.8Å; S687-I693 PolarHBondContact N-O 2.96Å
688	P	86	Confident	89.8	Confident	37 Å²	37	35.8 Å²	35.8	24%	0.24	17%	0.168	C	C	.	.	S	Bend	trans	-63.1	-14.5	172.1	-23.7	35.1	0	0	0	114.6	V591 W729 L731	V591-P688 HydrophobicContact CG2-CB 4.34Å; P688-W729 HydrophobicContact CG-CB 4.04Å; P688-L731 HydrophobicContact CB-CD2 4.48Å; P688-L731 HydrophobicContact CG-CD2 3.86Å
689	F	86.8	Confident	90.2	Very high	73 Å²	73	32.1 Å²	32.1	32%	0.32	15%	0.152	S	C	.	.	S	Bend	trans	-108.6	-40.4	-174.7	-58.2	-86.2	0	0	0	112.8	S687 P734	S687-F689 PolarHBondContact O-N 2.82Å; S687-F689 VanDerWaalsContact O-N 3.17Å; S687-F689 PolarHBondContact OG-N 2.79Å; F689-P734 HydrophobicContact CB-CB 4.15Å; F689-P734 HydrophobicContact CD1-CB 4.23Å; F689-P734 HydrophobicContact CD2-CB 3.88Å; F689-P734 HydrophobicContact CE2-CB 4.36Å; F689-P734 HydrophobicContact CG-CB 3.81Å
690	F	87.8	Confident	90.4	Very high	23 Å²	23	28.7 Å²	28.7	10%	0.101	14%	0.139	C	C	.	.			trans	-116.3	108.9	-174.5	-51.4	-67.1	0	0	0	110.2	S687 D692 I693 P734 D811 M814 K815 F818	S687-F690 PolarHBondContact OG-N 2.8Å; F690-D692 PolarHBondContact O-N 2.7Å; F690-I693 HydrophobicContact CB-CB 3.86Å; F690-I693 HydrophobicContact CB-CG1 3.51Å; F690-I693 HydrophobicContact CD2-CG1 4.29Å; F690-I693 HydrophobicContact CG-CG1 4.14Å; F690-I693 PolarHBondContact O-N 3.14Å; F690-I693 VanDerWaalsContact O-N 3.09Å; F690-P734 HydrophobicContact CE2-CB 3.84Å; F690-P734 HydrophobicContact CZ-CB 4.09Å; F690-D811 WeakPolarHBondContact CZ-O 3.32Å; F690-M814 HydrophobicContact CE2-CB 3.8Å; F690-M814 HydrophobicContact CZ-CB 3.71Å; F690-K815 HydrophobicContact CE1-CB 4.03Å; F690-F818 HydrophobicContact CD2-CD2 4.34Å; F690-F818 AromaticContact CD2-CE2 3.89Å; F690-F818 HydrophobicContact CD2-CE2 3.89Å; F690-F818 HydrophobicContact CE2-CD2 4.42Å; F690-F818 AromaticContact CE2-CE2 3.97Å; F690-F818 HydrophobicContact CE2-CE2 3.97Å
691	K	84.8	Confident	90.6	Very high	91 Å²	91	25.7 Å²	25.7	40%	0.396	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-37.9	179.8	-76.8	162.4	162.3	-98.4	0	112.6	E584 R686	E584-K691 HydrophobicContact CG-CB 4.46Å; E584-K691 HydrophobicContact CG-CG 4.45Å; E584-K691 WeakPolarHBondContact OE1-CD 3.37Å; E584-K691 IonicContact OE1-NZ 2.84Å; E584-K691 PolarHBondContact OE1-NZ 3.27Å; R686-K691 PolarHBondContact NH1-O 2.91Å
692	D	88.6	Confident	90.6	Very high	52 Å²	52	25.7 Å²	25.7	28%	0.278	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.7	-176.6	56.4	-45.9	0	0	0	114.2	F690 K706 E707	F690-D692 PolarHBondContact O-N 2.7Å; D692-K706 HydrophobicContact CB-CG 4.47Å; D692-K706 CarbonylContact O-C 3.55Å; D692-K706 VanDerWaalsContact O-CA 3.31Å; D692-K706 WeakPolarHBondContact O-CA 3.45Å; D692-K706 VanDerWaalsContact OD2-CE 3.26Å; D692-K706 WeakPolarHBondContact OD2-CE 3.19Å; D692-E707 HydrophobicContact CB-CB 4.11Å; D692-E707 PolarHBondContact O-N 2.77Å
693	I	92.1	Very high	90.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.3	-174.8	-56.3	-64.2	0	0	0	111.8	R686 S687 F690 I704 W705 K706 W729 F818	R686-I693 CarbonylContact C-O 3.51Å; R686-I693 VanDerWaalsContact CA-O 3.29Å; R686-I693 WeakPolarHBondContact CA-O 3.22Å; S687-I693 PolarHBondContact N-O 2.96Å; F690-I693 HydrophobicContact CB-CB 3.86Å; F690-I693 HydrophobicContact CB-CG1 3.51Å; F690-I693 HydrophobicContact CD2-CG1 4.29Å; F690-I693 HydrophobicContact CG-CG1 4.14Å; F690-I693 PolarHBondContact O-N 3.14Å; F690-I693 VanDerWaalsContact O-N 3.09Å; I693-I704 HydrophobicContact CG2-CG2 3.67Å; I693-W705 WeakPolarHBondContact CA-O 3.45Å; I693-K706 HydrophobicContact CD1-CB 3.88Å; I693-K706 HydrophobicContact CD1-CD 3.99Å; I693-K706 HydrophobicContact CD1-CG 3.88Å; I693-W729 HydrophobicContact CG2-CH2 4.39Å; I693-W729 HydrophobicContact CG2-CZ2 4.09Å; I693-F818 HydrophobicContact CB-CE2 4.48Å; I693-F818 HydrophobicContact CD1-CB 3.99Å; I693-F818 HydrophobicContact CD1-CD1 4.22Å; I693-F818 HydrophobicContact CD1-CD2 3.7Å; I693-F818 HydrophobicContact CD1-CE2 4.15Å; I693-F818 HydrophobicContact CD1-CG 3.73Å; I693-F818 HydrophobicContact CG1-CD2 3.75Å; I693-F818 HydrophobicContact CG1-CE2 3.86Å; I693-F818 HydrophobicContact CG1-CG 4.31Å; I693-F818 HydrophobicContact CG2-CE1 4.44Å; I693-F818 HydrophobicContact CG2-CE2 4Å; I693-F818 HydrophobicContact CG2-CZ 3.9Å
694	L	92.6	Very high	90.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.6	-177.1	-178.9	86.9	0	0	0	111.1	F642 V684 R686 T696 I704 W705	F642-L694 HydrophobicContact CB-CD1 4.46Å; F642-L694 HydrophobicContact CB-CD2 3.63Å; F642-L694 HydrophobicContact CD1-CD2 3.78Å; F642-L694 HydrophobicContact CD2-CD2 3.95Å; F642-L694 HydrophobicContact CE1-CD2 4.39Å; F642-L694 HydrophobicContact CG-CD2 3.52Å; V684-L694 HydrophobicContact CG1-CD1 3.85Å; V684-L694 HydrophobicContact CG1-CD2 4.2Å; V684-L694 HydrophobicContact CG1-CG 4.43Å; R686-L694 HydrophobicContact CB-CD1 4.48Å; R686-L694 HydrophobicContact CG-CD1 3.68Å; L694-T696 HydrophobicContact CD2-CG2 3.71Å; L694-T696 HydrophobicContact CG-CG2 4.13Å; L694-I704 CarbonylContact O-C 3.17Å; L694-I704 VanDerWaalsContact O-CA 3.3Å; L694-I704 WeakPolarHBondContact O-CA 3.14Å; L694-W705 HydrophobicContact CB-CB 4.23Å; L694-W705 HydrophobicContact CD2-CB 4.41Å; L694-W705 HydrophobicContact CD2-CG 4.34Å; L694-W705 PolarHBondContact N-O 3.3Å; L694-W705 PolarHBondContact O-N 3.35Å
695	L	93.9	Very high	90.8	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.5	168.1	177.3	65.4	0	0	0	109.8	Q685 F702 I704 W729 F737	Q685-L695 PolarHBondContact N-O 3.08Å; Q685-L695 PolarHBondContact O-N 3.43Å; L695-F702 HydrophobicContact CD1-CB 4.24Å; L695-F702 HydrophobicContact CD1-CD2 4.07Å; L695-F702 HydrophobicContact CD1-CG 4.42Å; L695-I704 HydrophobicContact CD1-CG1 4.02Å; L695-W729 HydrophobicContact CB-CZ2 3.77Å; L695-F737 HydrophobicContact CD1-CD2 4.48Å; L695-F737 HydrophobicContact CD1-CE2 4.43Å; L695-F737 HydrophobicContact CD2-CB 4.27Å; L695-F737 HydrophobicContact CD2-CD2 4.07Å; L695-F737 HydrophobicContact CD2-CG 4.27Å
696	T	94.8	Very high	90.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144	171.3	65.9	0	0	0	0	111.3	I650 H677 T683 V684 L694 F702 A703 W705	I650-T696 HydrophobicContact CD1-CG2 3.8Å; I650-T696 HydrophobicContact CG1-CG2 4.42Å; H677-T696 WeakPolarHBondContact NE2-CB 3.45Å; H677-T696 PolarHBondContact NE2-OG1 3.39Å; T683-T696 VanDerWaalsContact O-CA 3.27Å; T683-T696 WeakPolarHBondContact O-CA 3.42Å; V684-T696 HydrophobicContact CG1-CG2 4.42Å; V684-T696 HydrophobicContact CG2-CG2 4.3Å; L694-T696 HydrophobicContact CD2-CG2 3.71Å; L694-T696 HydrophobicContact CG-CG2 4.13Å; T696-F702 CarbonylContact O-C 3.34Å; T696-F702 VanDerWaalsContact O-CA 3.31Å; T696-F702 WeakPolarHBondContact O-CA 3.34Å; T696-A703 PolarHBondContact N-O 3.02Å; T696-A703 PolarHBondContact O-N 3.28Å; T696-W705 PolarHBondContact OG1-NE1 3.06Å
697	T	93.3	Very high	90.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.7	176.4	71.2	0	0	0	0	110.1	V681 N682 T683 F702 I739	V681-T697 CarbonylContact C-O 3.56Å; N682-T697 PolarHBondContact N-O 2.79Å; T683-T697 WeakPolarHBondContact CB-OG1 3.31Å; T683-T697 PolarHBondContact N-O 3.12Å; T683-T697 PolarHBondContact O-N 2.96Å; T683-T697 VanDerWaalsContact O-N 3.12Å; T683-T697 PolarHBondContact OG1-OG1 2.78Å; T697-F702 HydrophobicContact CG2-CB 4.04Å; T697-I739 HydrophobicContact CG2-CD1 3.76Å
698	G	89.2	Confident	90.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	140.2	176.8	0	0	0	0	0	111.4	H677 L680 W700 N701	H677-G698 WeakPolarHBondContact CB-O 3.36Å; H677-G698 PolarHBondContact ND1-N 2.89Å; H677-G698 PolarHBondContact ND1-O 2.82Å; H677-G698 VanDerWaalsContact ND1-O 3.14Å; L680-G698 WeakPolarHBondContact O-CA 3.34Å; G698-W700 PolarHBondContact O-N 2.8Å; G698-W700 VanDerWaalsContact O-N 3.08Å; G698-N701 PolarHBondContact N-O 2.85Å; G698-N701 PolarHBondContact O-OD1 2.85Å
699	G	88	Confident	90.1	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-114.2	-173.7	0	0	0	0	0	112.3	E723 C724	G699-E723 CarbonylContact O-C 3.5Å; G699-E723 VanDerWaalsContact O-CA 3.22Å; G699-E723 WeakPolarHBondContact O-CA 3.41Å; G699-E723 WeakPolarHBondContact O-CB 3.31Å; G699-C724 PolarHBondContact O-N 2.87Å
700	W	90.4	Very high	89.8	Confident	85 Å²	85	22.1 Å²	22.1	32%	0.322	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	10.3	-163	-61.9	66.8	0	0	0	113.8	W679 G698 Y719 F720 E723	W679-W700 AromaticContact CD1-CD1 3.87Å; W679-W700 AromaticContact CD1-NE1 3.78Å; W679-W700 AromaticContact NE1-NE1 3.93Å; G698-W700 PolarHBondContact O-N 2.8Å; G698-W700 VanDerWaalsContact O-N 3.08Å; W700-Y719 HydrophobicContact CB-CD1 3.96Å; W700-Y719 WeakPolarHBondContact O-CA 3.49Å; W700-F720 VanDerWaalsContact CE3-O 3.32Å; W700-F720 WeakPolarHBondContact O-CD2 3.44Å; W700-F720 PolarHBondContact O-N 2.88Å; W700-E723 HydrophobicContact CD2-CG 3.89Å; W700-E723 HydrophobicContact CG-CG 4.12Å; W700-E723 HydrophobicContact CH2-CG 4.5Å; W700-E723 HydrophobicContact CZ2-CG 3.73Å; W700-E723 VanDerWaalsContact NE1-CG 3.3Å; W700-E723 PolarHBondContact NE1-OE1 3.33Å
701	N	92.3	Very high	89.4	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.027	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	163.3	-177.6	63	-18.5	0	0	0	113.6	T676 H677 G698 S717 Y719	T676-N701 PolarHBondContact O-ND2 3.12Å; H677-N701 PolarHBondContact CE1-O 3.47Å; H677-N701 PolarHBondContact ND1-O 2.91Å; H677-N701 PolarHBondContact ND1-OD1 2.81Å; G698-N701 PolarHBondContact N-O 2.85Å; G698-N701 PolarHBondContact O-OD1 2.85Å; N701-S717 WeakPolarHBondContact CA-OG 3.31Å; N701-S717 VanDerWaalsContact CB-OG 3.31Å; N701-S717 WeakPolarHBondContact CB-OG 3.29Å; N701-Y719 HydrophobicContact CB-CD1 3.96Å; N701-Y719 HydrophobicContact CB-CE1 4.1Å
702	F	93.8	Very high	89.4	Confident	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	158.1	162.3	74.8	-103.3	0	0	0	111.1	L695 T696 T697 I704 S717 F720 F737 I739 W749	L695-F702 HydrophobicContact CD1-CB 4.24Å; L695-F702 HydrophobicContact CD1-CD2 4.07Å; L695-F702 HydrophobicContact CD1-CG 4.42Å; T696-F702 CarbonylContact O-C 3.34Å; T696-F702 VanDerWaalsContact O-CA 3.31Å; T696-F702 WeakPolarHBondContact O-CA 3.34Å; T697-F702 HydrophobicContact CG2-CB 4.04Å; F702-I704 HydrophobicContact CD2-CG1 4.36Å; F702-I704 HydrophobicContact CE2-CD1 4.29Å; F702-I704 HydrophobicContact CE2-CG1 4.35Å; F702-S717 VanDerWaalsContact CE1-CB 3.45Å; F702-S717 PolarHBondContact N-OG 3.48Å; F702-S717 PolarHBondContact O-N 2.9Å; F702-F720 AromaticContact CD1-CE2 3.92Å; F702-F720 HydrophobicContact CD1-CE2 3.92Å; F702-F720 AromaticContact CD1-CZ 3.94Å; F702-F720 HydrophobicContact CD1-CZ 3.94Å; F702-F720 HydrophobicContact CE1-CE2 4.4Å; F702-F720 AromaticContact CE1-CZ 4Å; F702-F720 HydrophobicContact CE1-CZ 4Å; F702-F737 HydrophobicContact CD1-CE2 4.22Å; F702-F737 HydrophobicContact CD2-CE2 4.29Å; F702-F737 HydrophobicContact CD2-CZ 4.19Å; F702-F737 HydrophobicContact CE1-CE2 4.04Å; F702-F737 HydrophobicContact CE1-CZ 4.07Å; F702-F737 HydrophobicContact CE2-CE2 4.13Å; F702-F737 AromaticContact CE2-CZ 3.64Å; F702-F737 HydrophobicContact CE2-CZ 3.64Å; F702-F737 HydrophobicContact CG-CE2 4.36Å; F702-F737 HydrophobicContact CZ-CE2 4.02Å; F702-F737 AromaticContact CZ-CZ 3.58Å; F702-F737 HydrophobicContact CZ-CZ 3.58Å; F702-I739 HydrophobicContact CB-CD1 4.14Å; F702-I739 HydrophobicContact CD1-CD1 4.26Å; F702-I739 HydrophobicContact CD1-CG1 4.22Å; F702-I739 HydrophobicContact CG-CD1 4.38Å; F702-W749 AromaticContact CE1-CD2 3.84Å; F702-W749 HydrophobicContact CE1-CD2 3.84Å; F702-W749 AromaticContact CE1-CE2 3.6Å; F702-W749 HydrophobicContact CE1-CE3 4.09Å; F702-W749 HydrophobicContact CE1-CG 4.49Å; F702-W749 AromaticContact CE1-CH2 3.96Å; F702-W749 HydrophobicContact CE1-CH2 3.96Å; F702-W749 AromaticContact CE1-CZ2 3.7Å; F702-W749 HydrophobicContact CE1-CZ2 3.7Å; F702-W749 HydrophobicContact CE1-CZ3 4.14Å; F702-W749 HydrophobicContact CZ-CD2 4.04Å; F702-W749 AromaticContact CZ-CE3 3.89Å; F702-W749 HydrophobicContact CZ-CE3 3.89Å; F702-W749 HydrophobicContact CZ-CH2 4.24Å; F702-W749 HydrophobicContact CZ-CZ2 4.37Å; F702-W749 AromaticContact CZ-CZ3 3.98Å; F702-W749 HydrophobicContact CZ-CZ3 3.98Å
703	A	93.4	Very high	89.5	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146	171.7	0	0	0	0	0	111.5	T676 T696 W705 P713 V715	T676-A703 HydrophobicContact CG2-CB 3.89Å; T696-A703 PolarHBondContact N-O 3.02Å; T696-A703 PolarHBondContact O-N 3.28Å; A703-W705 HydrophobicContact CB-CZ2 4.29Å; A703-P713 HydrophobicContact CB-CB 4.13Å; A703-V715 CarbonylContact C-O 3.3Å; A703-V715 VanDerWaalsContact CA-O 3.31Å; A703-V715 WeakPolarHBondContact CA-O 3.33Å
704	I	93.9	Very high	89.3	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.1	175.2	-57.1	173.6	0	0	0	108.4	I693 L694 L695 F702 L714 V715 W729 F737 M751 F818	I693-I704 HydrophobicContact CG2-CG2 3.67Å; L694-I704 CarbonylContact O-C 3.17Å; L694-I704 VanDerWaalsContact O-CA 3.3Å; L694-I704 WeakPolarHBondContact O-CA 3.14Å; L695-I704 HydrophobicContact CD1-CG1 4.02Å; F702-I704 HydrophobicContact CD2-CG1 4.36Å; F702-I704 HydrophobicContact CE2-CD1 4.29Å; F702-I704 HydrophobicContact CE2-CG1 4.35Å; I704-L714 PolarHBondContact O-N 2.9Å; I704-V715 HydrophobicContact CB-CB 4.27Å; I704-V715 HydrophobicContact CD1-CB 4.49Å; I704-V715 PolarHBondContact N-O 2.93Å; I704-V715 PolarHBondContact O-N 2.85Å; I704-W729 HydrophobicContact CD1-CH2 4.35Å; I704-F737 HydrophobicContact CD1-CE1 4.02Å; I704-F737 HydrophobicContact CD1-CZ 4.36Å; I704-M751 HydrophobicContact CD1-SD 4.37Å; I704-F818 HydrophobicContact CG2-CE1 3.86Å; I704-F818 HydrophobicContact CG2-CZ 4.26Å
705	W	92.3	Very high	89.1	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.015	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	160.2	-174.9	-51.1	78.5	0	0	0	111.2	I650 F674 T676 I693 L694 T696 A703 P713	I650-W705 HydrophobicContact CB-CH2 4.23Å; I650-W705 HydrophobicContact CB-CZ2 3.91Å; I650-W705 HydrophobicContact CG1-CH2 4.4Å; I650-W705 HydrophobicContact CG1-CZ2 3.65Å; I650-W705 HydrophobicContact CG2-CH2 4.5Å; I650-W705 HydrophobicContact CG2-CZ2 4.15Å; F674-W705 HydrophobicContact CB-CH2 3.53Å; F674-W705 HydrophobicContact CB-CZ3 3.92Å; F674-W705 HydrophobicContact CD1-CH2 4.5Å; F674-W705 HydrophobicContact CD1-CZ3 4.1Å; F674-W705 HydrophobicContact CD2-CE3 4.42Å; F674-W705 AromaticContact CD2-CH2 3.99Å; F674-W705 HydrophobicContact CD2-CH2 3.99Å; F674-W705 AromaticContact CD2-CZ3 3.56Å; F674-W705 HydrophobicContact CD2-CZ3 3.56Å; F674-W705 HydrophobicContact CE2-CZ3 4.02Å; F674-W705 AromaticContact CG-CH2 3.79Å; F674-W705 HydrophobicContact CG-CH2 3.79Å; F674-W705 AromaticContact CG-CZ3 3.61Å; F674-W705 HydrophobicContact CG-CZ3 3.61Å; F674-W705 HydrophobicContact CZ-CZ3 4.46Å; T676-W705 HydrophobicContact CG2-CH2 4.17Å; T676-W705 HydrophobicContact CG2-CZ2 3.77Å; T676-W705 WeakPolarHBondContact OG1-CH2 3.5Å; I693-W705 WeakPolarHBondContact CA-O 3.45Å; L694-W705 HydrophobicContact CB-CB 4.23Å; L694-W705 HydrophobicContact CD2-CB 4.41Å; L694-W705 HydrophobicContact CD2-CG 4.34Å; L694-W705 PolarHBondContact N-O 3.3Å; L694-W705 PolarHBondContact O-N 3.35Å; T696-W705 PolarHBondContact OG1-NE1 3.06Å; A703-W705 HydrophobicContact CB-CZ2 4.29Å; W705-P713 HydrophobicContact CD2-CB 3.96Å; W705-P713 HydrophobicContact CE3-CB 3.96Å; W705-P713 HydrophobicContact CH2-CB 4.05Å; W705-P713 HydrophobicContact CH2-CG 4.18Å; W705-P713 HydrophobicContact CZ2-CB 4.05Å; W705-P713 HydrophobicContact CZ2-CG 4.47Å; W705-P713 HydrophobicContact CZ3-CB 4.01Å; W705-P713 HydrophobicContact CZ3-CG 4.34Å
706	K	90.6	Very high	88.9	Confident	23 Å²	23	24 Å²	24	10%	0.1	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127	173.6	-175.8	167.2	179.7	169.7	0	111.3	D692 I693 G708 V709 L714 F818 D819	D692-K706 HydrophobicContact CB-CG 4.47Å; D692-K706 CarbonylContact O-C 3.55Å; D692-K706 VanDerWaalsContact O-CA 3.31Å; D692-K706 WeakPolarHBondContact O-CA 3.45Å; D692-K706 VanDerWaalsContact OD2-CE 3.26Å; D692-K706 WeakPolarHBondContact OD2-CE 3.19Å; I693-K706 HydrophobicContact CD1-CB 3.88Å; I693-K706 HydrophobicContact CD1-CD 3.99Å; I693-K706 HydrophobicContact CD1-CG 3.88Å; K706-G708 PolarHBondContact O-N 2.91Å; K706-V709 HydrophobicContact CB-CB 4.34Å; K706-V709 HydrophobicContact CB-CG2 3.96Å; K706-V709 HydrophobicContact CD-CG2 4.17Å; K706-V709 HydrophobicContact CG-CG2 4.02Å; K706-V709 WeakPolarHBondContact O-CB 3.33Å; K706-V709 PolarHBondContact O-N 3.07Å; K706-L714 HydrophobicContact CB-CD1 3.63Å; K706-L714 HydrophobicContact CB-CD2 4.28Å; K706-L714 HydrophobicContact CB-CG 3.89Å; K706-L714 HydrophobicContact CD-CD1 3.86Å; K706-L714 HydrophobicContact CG-CD1 4.43Å; K706-F818 PolarHBondContact NZ-O 2.69Å; K706-F818 VanDerWaalsContact NZ-O 3.1Å; K706-D819 IonicContact NZ-OD1 3.26Å; K706-D819 PolarHBondContact NZ-OD1 2.98Å
707	E	86.9	Confident	88.6	Confident	33 Å²	33	24.7 Å²	24.7	15%	0.154	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	132.1	-179.1	-166	165.1	-137.8	0	0	111.1	N638 F642 Y652 R686 D692 V709	N638-E707 PolarHBondContact ND2-OE1 2.86Å; N638-E707 PolarHBondContact ND2-OE2 3.3Å; F642-E707 HydrophobicContact CE2-CB 4.35Å; F642-E707 HydrophobicContact CE2-CG 4.23Å; Y652-E707 HydrophobicContact CE2-CG 4.05Å; Y652-E707 WeakPolarHBondContact OH-CG 3.36Å; R686-E707 IonicContact CZ-OE1 3.36Å; R686-E707 IonicContact CZ-OE2 3.85Å; R686-E707 IonicContact NH1-OE1 3.37Å; R686-E707 PolarHBondContact NH1-OE1 2.79Å; R686-E707 IonicContact NH1-OE2 3.31Å; R686-E707 PolarHBondContact NH1-OE2 3.31Å; R686-E707 IonicContact NH2-OE1 2.86Å; R686-E707 PolarHBondContact NH2-OE1 2.81Å; R686-E707 IonicContact NH2-OE2 2.68Å; D692-E707 HydrophobicContact CB-CB 4.11Å; D692-E707 PolarHBondContact O-N 2.77Å; E707-V709 VanDerWaalsContact C-N 3.3Å; E707-V709 PolarHBondContact O-N 2.9Å
708	G	82.9	Confident	88.2	Confident	57 Å²	57	31.9 Å²	31.9	59%	0.588	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-12.3	-171.6	0	0	0	0	0	115.2	K706 M710	K706-G708 PolarHBondContact O-N 2.91Å; G708-M710 PolarHBondContact O-N 2.83Å
709	V	84.3	Confident	88	Confident	16 Å²	16	38.5 Å²	38.5	10%	0.097	21%	0.208	C	C	.	.			trans	-88.6	91.3	167.8	-176.3	0	0	0	0	108.4	K706 E707 D711 L714 A822 L825	K706-V709 HydrophobicContact CB-CB 4.34Å; K706-V709 HydrophobicContact CB-CG2 3.96Å; K706-V709 HydrophobicContact CD-CG2 4.17Å; K706-V709 HydrophobicContact CG-CG2 4.02Å; K706-V709 WeakPolarHBondContact O-CB 3.33Å; K706-V709 PolarHBondContact O-N 3.07Å; E707-V709 VanDerWaalsContact C-N 3.3Å; E707-V709 PolarHBondContact O-N 2.9Å; V709-D711 HydrophobicContact CG1-CB 4.47Å; V709-D711 PolarHBondContact O-N 2.94Å; V709-L714 HydrophobicContact CG1-CD2 4.13Å; V709-L714 HydrophobicContact CG2-CD2 4.44Å; V709-A822 HydrophobicContact CG2-CB 4.09Å; V709-L825 HydrophobicContact CG1-CD2 3.91Å
710	M	79.4	Confident	87.8	Confident	70 Å²	70	39.7 Å²	39.7	35%	0.345	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	8.8	-175.1	-54.4	-47	-51.4	0	0	113.9	Y652 A672 F674 G708	Y652-M710 HydrophobicContact CD1-CE 3.34Å; Y652-M710 HydrophobicContact CD1-SD 3.78Å; Y652-M710 HydrophobicContact CE1-CE 3.92Å; Y652-M710 HydrophobicContact CE1-SD 3.7Å; Y652-M710 HydrophobicContact CG-CE 4.07Å; A672-M710 HydrophobicContact CB-CE 3.37Å; F674-M710 WeakPolarHBondContact CE1-O 3.27Å; F674-M710 HydrophobicContact CE2-CE 4.28Å; F674-M710 HydrophobicContact CZ-CE 4.19Å; F674-M710 WeakPolarHBondContact CZ-O 3.3Å; G708-M710 PolarHBondContact O-N 2.83Å
711	D	80.3	Confident	87.5	Confident	89 Å²	89	44.1 Å²	44.1	48%	0.476	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-20.6	-171.5	-60.9	-58.8	0	0	0	113.2	V709 L825 L829	V709-D711 HydrophobicContact CG1-CB 4.47Å; V709-D711 PolarHBondContact O-N 2.94Å; D711-L825 HydrophobicContact CB-CD2 4.29Å; D711-L829 HydrophobicContact CB-CD1 3.64Å
712	G	84.9	Confident	87.2	Confident	6 Å²	6	47.7 Å²	47.7	6%	0.062	25%	0.253	C	S	.	.			trans	157.7	-177.8	-179.7	0	0	0	0	0	112.7
713	P	89.6	Confident	87.1	Confident	28 Å²	28	50.7 Å²	50.7	18%	0.182	27%	0.268	C	S	.	.			trans	-66.4	150.9	167.3	30.6	-34.3	0	0	0	110.2	T676 A703 W705 A716	T676-P713 HydrophobicContact CG2-CG 4.24Å; A703-P713 HydrophobicContact CB-CB 4.13Å; W705-P713 HydrophobicContact CD2-CB 3.96Å; W705-P713 HydrophobicContact CE3-CB 3.96Å; W705-P713 HydrophobicContact CH2-CB 4.05Å; W705-P713 HydrophobicContact CH2-CG 4.18Å; W705-P713 HydrophobicContact CZ2-CB 4.05Å; W705-P713 HydrophobicContact CZ2-CG 4.47Å; W705-P713 HydrophobicContact CZ3-CB 4.01Å; W705-P713 HydrophobicContact CZ3-CG 4.34Å; P713-A716 HydrophobicContact CG-CB 4.36Å
714	L	88.6	Confident	87	Confident	15 Å²	15	50.7 Å²	50.7	8%	0.079	27%	0.268	C	S	.	.	S	Bend	trans	-73.5	-47.8	173	-65.3	-165.8	0	0	0	111.2	I704 K706 V709 F818 E821 A822 L825	I704-L714 PolarHBondContact O-N 2.9Å; K706-L714 HydrophobicContact CB-CD1 3.63Å; K706-L714 HydrophobicContact CB-CD2 4.28Å; K706-L714 HydrophobicContact CB-CG 3.89Å; K706-L714 HydrophobicContact CD-CD1 3.86Å; K706-L714 HydrophobicContact CG-CD1 4.43Å; V709-L714 HydrophobicContact CG1-CD2 4.13Å; V709-L714 HydrophobicContact CG2-CD2 4.44Å; L714-F818 HydrophobicContact CD1-CB 3.99Å; L714-F818 HydrophobicContact CD1-CD1 3.98Å; L714-F818 HydrophobicContact CD1-CG 4.37Å; L714-F818 WeakPolarHBondContact CD1-O 3.45Å; L714-E821 HydrophobicContact CB-CB 4.41Å; L714-E821 HydrophobicContact CB-CG 4.41Å; L714-E821 WeakPolarHBondContact O-CG 3.31Å; L714-A822 HydrophobicContact CD2-CB 3.7Å; L714-L825 HydrophobicContact CD2-CD2 4.37Å
715	V	88.9	Confident	86.9	Confident	12 Å²	12	51.6 Å²	51.6	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.7	178.5	-177.6	0	0	0	0	107.4	A703 I704 M751 Y817 E821	A703-V715 CarbonylContact C-O 3.3Å; A703-V715 VanDerWaalsContact CA-O 3.31Å; A703-V715 WeakPolarHBondContact CA-O 3.33Å; I704-V715 HydrophobicContact CB-CB 4.27Å; I704-V715 HydrophobicContact CD1-CB 4.49Å; I704-V715 PolarHBondContact N-O 2.93Å; I704-V715 PolarHBondContact O-N 2.85Å; V715-M751 HydrophobicContact CG1-CE 4.08Å; V715-M751 HydrophobicContact CG2-CE 4.1Å; V715-Y817 HydrophobicContact CG2-CE1 4.23Å; V715-Y817 WeakPolarHBondContact CG2-OH 3.23Å; V715-E821 HydrophobicContact CG2-CG 4.17Å
716	A	88.6	Confident	86.8	Confident	56 Å²	56	52 Å²	52	46%	0.463	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.4	167	0	0	0	0	0	107.7	P713	P713-A716 HydrophobicContact CG-CB 4.36Å
717	S	88.6	Confident	86.9	Confident	16 Å²	16	51.1 Å²	51.1	11%	0.112	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.8	158.6	177.5	78.8	0	0	0	0	110.7	N701 F702 F720	N701-S717 WeakPolarHBondContact CA-OG 3.31Å; N701-S717 VanDerWaalsContact CB-OG 3.31Å; N701-S717 WeakPolarHBondContact CB-OG 3.29Å; F702-S717 VanDerWaalsContact CE1-CB 3.45Å; F702-S717 PolarHBondContact N-OG 3.48Å; F702-S717 PolarHBondContact O-N 2.9Å; S717-F720 WeakPolarHBondContact OG-CE2 3.45Å
718	Q	84.7	Confident	87.1	Confident	150 Å²	150	49.9 Å²	49.9	70%	0.701	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-61.5	163	159.3	-59.4	-170.4	45.7	0	0	109.6	F720	Q718-F720 PolarHBondContact O-N 3.38Å
719	Y	85.3	Confident	87.6	Confident	139 Å²	139	47.2 Å²	47.2	55%	0.545	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-72	126.2	173.5	-63.3	-59.4	0	0	0	110	H678 W700 N701	H678-Y719 AromaticContact CE1-CE1 3.44Å; H678-Y719 VanDerWaalsContact CE1-CE1 3.44Å; H678-Y719 WeakPolarHBondContact CE1-CE1 3.4Å; H678-Y719 AromaticContact CE1-CE2 3.84Å; H678-Y719 AromaticContact CE1-CZ 3.29Å; H678-Y719 PolarHBondContact CE1-OH 3.32Å; H678-Y719 AromaticContact ND1-CD1 3.96Å; H678-Y719 AromaticContact ND1-CE1 3.41Å; H678-Y719 WeakPolarHBondContact ND1-CE1 3.33Å; H678-Y719 AromaticContact ND1-CZ 3.77Å; W700-Y719 HydrophobicContact CB-CD1 3.96Å; W700-Y719 WeakPolarHBondContact O-CA 3.49Å; N701-Y719 HydrophobicContact CB-CD1 3.96Å; N701-Y719 HydrophobicContact CB-CE1 4.1Å
720	F	84.6	Confident	87.8	Confident	29 Å²	29	46.5 Å²	46.5	13%	0.127	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-72.6	166.5	176	-67.4	-74.7	0	0	0	111.8	W700 F702 S717 Q718 Q722 C724 E747 W749	W700-F720 VanDerWaalsContact CE3-O 3.32Å; W700-F720 WeakPolarHBondContact O-CD2 3.44Å; W700-F720 PolarHBondContact O-N 2.88Å; F702-F720 AromaticContact CD1-CE2 3.92Å; F702-F720 HydrophobicContact CD1-CE2 3.92Å; F702-F720 AromaticContact CD1-CZ 3.94Å; F702-F720 HydrophobicContact CD1-CZ 3.94Å; F702-F720 HydrophobicContact CE1-CE2 4.4Å; F702-F720 AromaticContact CE1-CZ 4Å; F702-F720 HydrophobicContact CE1-CZ 4Å; S717-F720 WeakPolarHBondContact OG-CE2 3.45Å; Q718-F720 PolarHBondContact O-N 3.38Å; F720-Q722 VanDerWaalsContact CB-O 3.3Å; F720-Q722 WeakPolarHBondContact CB-O 3.19Å; F720-Q722 PolarHBondContact O-N 2.82Å; F720-C724 WeakPolarHBondContact CD2-SG 3.5Å; F720-E747 WeakPolarHBondContact CE1-OE1 3.43Å; F720-E747 WeakPolarHBondContact CE1-OE2 3.45Å; F720-E747 WeakPolarHBondContact CZ-OE2 3.09Å; F720-W749 AromaticContact CE1-CZ2 3.82Å; F720-W749 HydrophobicContact CE1-CZ2 3.82Å; F720-W749 AromaticContact CZ-CZ2 3.69Å; F720-W749 HydrophobicContact CZ-CZ2 3.69Å
721	E	83.9	Confident	88.1	Confident	178 Å²	178	45.3 Å²	45.3	83%	0.832	23%	0.231	S	C	*	.	S	Bend	trans	-75.5	-10.1	169.8	-59.2	-172.4	147.7	0	0	113.6
722	Q	86.9	Confident	88.3	Confident	79 Å²	79	42.2 Å²	42.2	37%	0.369	22%	0.217	S	C	.	.	S	Bend	trans	-145.1	150.6	-175.3	-64.1	-67.5	-3.1	0	0	110.3	F720 K741 D743	F720-Q722 VanDerWaalsContact CB-O 3.3Å; F720-Q722 WeakPolarHBondContact CB-O 3.19Å; F720-Q722 PolarHBondContact O-N 2.82Å; Q722-K741 HydrophobicContact CB-CD 4.21Å; Q722-D743 HydrophobicContact CG-CB 4.1Å
723	E	90.6	Very high	88.4	Confident	64 Å²	64	42.6 Å²	42.6	30%	0.299	22%	0.216	S	C	.	.			trans	-72	138.1	-175.1	-69.4	-174.9	148.7	0	0	113.7	G699 W700 T725 K741 T742	G699-E723 CarbonylContact O-C 3.5Å; G699-E723 VanDerWaalsContact O-CA 3.22Å; G699-E723 WeakPolarHBondContact O-CA 3.41Å; G699-E723 WeakPolarHBondContact O-CB 3.31Å; W700-E723 HydrophobicContact CD2-CG 3.89Å; W700-E723 HydrophobicContact CG-CG 4.12Å; W700-E723 HydrophobicContact CH2-CG 4.5Å; W700-E723 HydrophobicContact CZ2-CG 3.73Å; W700-E723 VanDerWaalsContact NE1-CG 3.3Å; W700-E723 PolarHBondContact NE1-OE1 3.33Å; E723-T725 PolarHBondContact O-N 2.92Å; E723-K741 CarbonylContact O-C 3.47Å; E723-K741 VanDerWaalsContact O-CA 3.25Å; E723-K741 WeakPolarHBondContact O-CA 3.33Å; E723-T742 HydrophobicContact CB-CG2 3.73Å; E723-T742 PolarHBondContact N-OG1 3.36Å; E723-T742 PolarHBondContact O-N 2.86Å
724	C	91.9	Very high	88.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.3	175.9	-61.2	0	0	0	0	110.8	N682 G699 F720 I739	N682-C724 PolarHBondContact ND2-O 3.42Å; G699-C724 PolarHBondContact O-N 2.87Å; F720-C724 WeakPolarHBondContact CD2-SG 3.5Å; C724-I739 HydrophobicContact CB-CG2 4.19Å
725	T	90.8	Very high	88.4	Confident	20 Å²	20	40.7 Å²	40.7	12%	0.123	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-30	-178.1	59.1	0	0	0	0	113.5	N682 E723 G740 T742 K769 I770	N682-T725 WeakPolarHBondContact CB-O 3.38Å; E723-T725 PolarHBondContact O-N 2.92Å; T725-G740 PolarHBondContact N-O 2.88Å; T725-G740 PolarHBondContact OG1-O 3.47Å; T725-T742 HydrophobicContact CG2-CG2 3.45Å; T725-T742 VanDerWaalsContact CG2-CG2 3.45Å; T725-K769 HydrophobicContact CG2-CB 4.49Å; T725-I770 WeakPolarHBondContact CB-O 3.36Å; T725-I770 WeakPolarHBondContact CG2-O 3.44Å; T725-I770 PolarHBondContact OG1-O 3.4Å
726	V	90.9	Very high	88.5	Confident	13 Å²	13	40.1 Å²	40.1	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	142.6	-178.7	57.1	0	0	0	0	111.9	T683 I739 G740 I770 M773	T683-V726 WeakPolarHBondContact OG1-CA 3.35Å; V726-I739 CarbonylContact O-C 3.58Å; V726-I739 WeakPolarHBondContact O-CA 3.36Å; V726-G740 PolarHBondContact N-O 3.41Å; V726-G740 PolarHBondContact O-N 3.47Å; V726-I770 HydrophobicContact CG1-CG2 3.66Å; V726-M773 HydrophobicContact CG1-CB 3.71Å; V726-M773 HydrophobicContact CG1-CE 4.27Å; V726-M773 HydrophobicContact CG2-CB 4.08Å
727	G	92.8	Very high	88.8	Confident	4 Å²	4	37.5 Å²	37.5	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	151.8	167.6	0	0	0	0	0	111.9	T683 F738	T683-G727 WeakPolarHBondContact CG2-O 3.29Å; T683-G727 PolarHBondContact OG1-N 2.74Å; G727-F738 CarbonylContact C-O 3.53Å; G727-F738 WeakPolarHBondContact CA-O 3.42Å
728	C	91.6	Very high	89.1	Confident	6 Å²	6	36.7 Å²	36.7	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	125.6	170.4	-166.7	0	0	0	0	111.6	F737 F738 M773 A775	C728-F737 WeakPolarHBondContact O-CA 3.39Å; C728-F737 WeakPolarHBondContact O-CB 3.33Å; C728-F738 PolarHBondContact N-O 3.02Å; C728-F738 WeakPolarHBondContact O-CD2 3.4Å; C728-F738 PolarHBondContact O-N 3.46Å; C728-M773 HydrophobicContact CB-CE 4.19Å; C728-M773 HydrophobicContact CB-CG 4.39Å; C728-A775 PolarHBondContact SG-N 3.44Å; C728-A775 VanDerWaalsContact SG-N 3.41Å
729	W	92.1	Very high	89.5	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	148.3	167.9	-72.5	107.1	0	0	0	112.4	Q685 P688 I693 L695 I704 F737	Q685-W729 PolarHBondContact O-NE1 2.72Å; Q685-W729 VanDerWaalsContact O-NE1 3.16Å; P688-W729 HydrophobicContact CG-CB 4.04Å; I693-W729 HydrophobicContact CG2-CH2 4.39Å; I693-W729 HydrophobicContact CG2-CZ2 4.09Å; L695-W729 HydrophobicContact CB-CZ2 3.77Å; I704-W729 HydrophobicContact CD1-CH2 4.35Å; W729-F737 HydrophobicContact CD2-CB 4.33Å; W729-F737 HydrophobicContact CE3-CB 3.87Å; W729-F737 HydrophobicContact CE3-CD1 4.32Å; W729-F737 HydrophobicContact CH2-CD1 4.31Å; W729-F737 HydrophobicContact CZ3-CB 4.27Å; W729-F737 AromaticContact CZ3-CD1 3.85Å; W729-F737 HydrophobicContact CZ3-CD1 3.85Å; W729-F737 HydrophobicContact CZ3-CG 4.45Å
730	S	89.1	Confident	89.9	Confident	1 Å²	1	23 Å²	23	1%	0.007	12%	0.115	C	C	.	.			trans	-64	150.3	160	-177.6	0	0	0	0	110.5	S732 R733 V736	S730-S732 PolarHBondContact OG-N 2.85Å; S730-R733 PolarHBondContact OG-N 3.38Å; S730-V736 VanDerWaalsContact CB-O 3.23Å; S730-V736 WeakPolarHBondContact CB-O 3.42Å; S730-V736 PolarHBondContact N-O 2.79Å
731	L	85.1	Confident	90.3	Very high	45 Å²	45	22.2 Å²	22.2	24%	0.236	11%	0.111	C	C	.	.	S	Bend	trans	-96.3	-5.4	178.3	-58.5	-176.7	0	0	0	113.2	P688 A775	P688-L731 HydrophobicContact CB-CD2 4.48Å; P688-L731 HydrophobicContact CG-CD2 3.86Å; L731-A775 HydrophobicContact CG-CB 4.22Å
732	S	84.8	Confident	90.7	Very high	25 Å²	25	15.7 Å²	15.7	18%	0.175	8%	0.084	C	C	.	.	S	Bend	trans	-130.3	-25.8	-174	47.3	0	0	0	0	115.2	S730 H783 Y804	S730-S732 PolarHBondContact OG-N 2.85Å; S732-H783 PolarHBondContact OG-CE1 3.38Å; S732-Y804 VanDerWaalsContact CB-O 3.24Å; S732-Y804 WeakPolarHBondContact CB-O 3.26Å; S732-Y804 WeakPolarHBondContact OG-CA 3.32Å; S732-Y804 WeakPolarHBondContact OG-CB 3.32Å; S732-Y804 PolarHBondContact OG-O 2.82Å; S732-Y804 VanDerWaalsContact OG-O 3.12Å
733	R	87.9	Confident	90.9	Very high	13 Å²	13	13.6 Å²	13.6	5%	0.049	8%	0.075	C	C	.	.			trans	-111.3	128.9	169.6	-72.9	-166.1	63.5	-141	-25.7	112.1	S730 V736 D750 A802 L805 P806 E810	S730-R733 PolarHBondContact OG-N 3.38Å; R733-V736 HydrophobicContact CB-CB 4.06Å; R733-V736 HydrophobicContact CB-CG2 3.76Å; R733-D750 IonicContact CZ-OD2 2.65Å; R733-D750 VanDerWaalsContact CZ-OD2 3.31Å; R733-D750 IonicContact NH1-OD2 2.74Å; R733-D750 PolarHBondContact NH1-OD2 3.09Å; R733-D750 IonicContact NH2-OD1 3.66Å; R733-D750 PolarHBondContact NH2-OD1 2.7Å; R733-D750 VanDerWaalsContact NH2-OD1 3.14Å; R733-D750 IonicContact NH2-OD2 3.08Å; R733-D750 PolarHBondContact NH2-OD2 3.07Å; R733-A802 PolarHBondContact NH1-O 2.74Å; R733-L805 WeakPolarHBondContact CD-O 3.38Å; R733-P806 HydrophobicContact CG-CB 4.23Å; R733-E810 IonicContact CZ-OE1 3.63Å; R733-E810 IonicContact CZ-OE2 3.33Å; R733-E810 IonicContact NE-OE1 3.21Å; R733-E810 PolarHBondContact NE-OE1 3Å; R733-E810 IonicContact NE-OE2 2.88Å; R733-E810 PolarHBondContact NE-OE2 3.35Å; R733-E810 VanDerWaalsContact NH2-CD 3.27Å; R733-E810 IonicContact NH2-OE1 3.61Å; R733-E810 PolarHBondContact NH2-OE1 2.74Å; R733-E810 IonicContact NH2-OE2 2.83Å; R733-E810 PolarHBondContact NH2-OE2 3.47Å
734	P	87.5	Confident	90.9	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.026	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-23	-178.1	29.3	-36.2	0	0	0	114.7	F689 F690 E810 M814	F689-P734 HydrophobicContact CB-CB 4.15Å; F689-P734 HydrophobicContact CD1-CB 4.23Å; F689-P734 HydrophobicContact CD2-CB 3.88Å; F689-P734 HydrophobicContact CE2-CB 4.36Å; F689-P734 HydrophobicContact CG-CB 3.81Å; F690-P734 HydrophobicContact CE2-CB 3.84Å; F690-P734 HydrophobicContact CZ-CB 4.09Å; P734-E810 WeakPolarHBondContact CD-OE1 3.36Å; P734-E810 HydrophobicContact CG-CB 4.01Å; P734-E810 HydrophobicContact CG-CG 3.91Å; P734-M814 HydrophobicContact CB-CG 4.4Å; P734-M814 HydrophobicContact CG-CG 4.45Å
735	A	89.8	Confident	90.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.3	179.2	0	0	0	0	0	114.2	D750 M751 L752 E810 M814	A735-D750 WeakPolarHBondContact CB-OD1 3.28Å; A735-M751 PolarHBondContact O-N 3.48Å; A735-M751 VanDerWaalsContact O-N 3.07Å; A735-L752 HydrophobicContact CB-CB 4.41Å; A735-L752 HydrophobicContact CB-CD1 4.05Å; A735-L752 HydrophobicContact CB-CG 3.87Å; A735-E810 VanDerWaalsContact CB-OE1 3.23Å; A735-E810 WeakPolarHBondContact CB-OE1 3.34Å; A735-E810 PolarHBondContact N-OE1 2.91Å; A735-M814 HydrophobicContact CB-CE 4.47Å; A735-M814 HydrophobicContact CB-CG 3.75Å; A735-M814 HydrophobicContact CB-SD 3.56Å; A735-M814 VanDerWaalsContact CB-SD 3.56Å
736	V	91.8	Very high	91	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.7	-163.3	-179.3	0	0	0	0	112.7	S730 R733 F738 I748 W749 D750 L803	S730-V736 VanDerWaalsContact CB-O 3.23Å; S730-V736 WeakPolarHBondContact CB-O 3.42Å; S730-V736 PolarHBondContact N-O 2.79Å; R733-V736 HydrophobicContact CB-CB 4.06Å; R733-V736 HydrophobicContact CB-CG2 3.76Å; V736-F738 HydrophobicContact CG1-CZ 4.24Å; V736-I748 HydrophobicContact CG1-CG2 4.26Å; V736-W749 VanDerWaalsContact CA-O 3.27Å; V736-W749 WeakPolarHBondContact CA-O 3.47Å; V736-D750 HydrophobicContact CG2-CB 4.27Å; V736-L803 HydrophobicContact CG1-CD2 4.47Å
737	F	94.2	Very high	91.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	164.3	169.7	63.5	-88.8	0	0	0	112	L695 F702 I704 C728 W729 I739 W749 M751	L695-F737 HydrophobicContact CD1-CD2 4.48Å; L695-F737 HydrophobicContact CD1-CE2 4.43Å; L695-F737 HydrophobicContact CD2-CB 4.27Å; L695-F737 HydrophobicContact CD2-CD2 4.07Å; L695-F737 HydrophobicContact CD2-CG 4.27Å; F702-F737 HydrophobicContact CD1-CE2 4.22Å; F702-F737 HydrophobicContact CD2-CE2 4.29Å; F702-F737 HydrophobicContact CD2-CZ 4.19Å; F702-F737 HydrophobicContact CE1-CE2 4.04Å; F702-F737 HydrophobicContact CE1-CZ 4.07Å; F702-F737 HydrophobicContact CE2-CE2 4.13Å; F702-F737 AromaticContact CE2-CZ 3.64Å; F702-F737 HydrophobicContact CE2-CZ 3.64Å; F702-F737 HydrophobicContact CG-CE2 4.36Å; F702-F737 HydrophobicContact CZ-CE2 4.02Å; F702-F737 AromaticContact CZ-CZ 3.58Å; F702-F737 HydrophobicContact CZ-CZ 3.58Å; I704-F737 HydrophobicContact CD1-CE1 4.02Å; I704-F737 HydrophobicContact CD1-CZ 4.36Å; C728-F737 WeakPolarHBondContact O-CA 3.39Å; C728-F737 WeakPolarHBondContact O-CB 3.33Å; W729-F737 HydrophobicContact CD2-CB 4.33Å; W729-F737 HydrophobicContact CE3-CB 3.87Å; W729-F737 HydrophobicContact CE3-CD1 4.32Å; W729-F737 HydrophobicContact CH2-CD1 4.31Å; W729-F737 HydrophobicContact CZ3-CB 4.27Å; W729-F737 AromaticContact CZ3-CD1 3.85Å; W729-F737 HydrophobicContact CZ3-CD1 3.85Å; W729-F737 HydrophobicContact CZ3-CG 4.45Å; F737-I739 HydrophobicContact CD2-CD1 3.87Å; F737-I739 HydrophobicContact CD2-CG1 3.98Å; F737-I739 HydrophobicContact CE2-CD1 3.9Å; F737-I739 HydrophobicContact CE2-CG1 3.86Å; F737-W749 HydrophobicContact CD1-CB 4.06Å; F737-W749 HydrophobicContact CD2-CB 3.99Å; F737-W749 HydrophobicContact CD2-CG 4.32Å; F737-W749 HydrophobicContact CE1-CB 3.67Å; F737-W749 HydrophobicContact CE1-CG 4.41Å; F737-W749 HydrophobicContact CE2-CB 3.58Å; F737-W749 AromaticContact CE2-CD1 3.83Å; F737-W749 HydrophobicContact CE2-CD2 4.31Å; F737-W749 AromaticContact CE2-CG 3.6Å; F737-W749 HydrophobicContact CE2-CG 3.6Å; F737-W749 HydrophobicContact CG-CB 4.21Å; F737-W749 HydrophobicContact CZ-CB 3.4Å; F737-W749 VanDerWaalsContact CZ-CB 3.4Å; F737-W749 HydrophobicContact CZ-CD2 4.11Å; F737-W749 HydrophobicContact CZ-CE3 4.44Å; F737-W749 AromaticContact CZ-CG 3.66Å; F737-W749 HydrophobicContact CZ-CG 3.66Å; F737-W749 PolarHBondContact N-O 2.98Å; F737-W749 VanDerWaalsContact N-O 3.16Å; F737-W749 PolarHBondContact O-N 3.1Å; F737-M751 HydrophobicContact CE1-CG 3.81Å; F737-M751 HydrophobicContact CE1-SD 3.84Å; F737-M751 HydrophobicContact CZ-SD 4.26Å
738	F	94.1	Very high	91.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.2	-175.7	-51.6	-80.5	0	0	0	109.8	G727 C728 V736 E747 I748 M773 A775 L785 I799	G727-F738 CarbonylContact C-O 3.53Å; G727-F738 WeakPolarHBondContact CA-O 3.42Å; C728-F738 PolarHBondContact N-O 3.02Å; C728-F738 WeakPolarHBondContact O-CD2 3.4Å; C728-F738 PolarHBondContact O-N 3.46Å; V736-F738 HydrophobicContact CG1-CZ 4.24Å; F738-E747 CarbonylContact C-O 3.55Å; F738-E747 WeakPolarHBondContact CA-O 3.41Å; F738-I748 HydrophobicContact CD1-CB 4.38Å; F738-I748 HydrophobicContact CD1-CD1 4.49Å; F738-I748 HydrophobicContact CD1-CG1 4.04Å; F738-I748 HydrophobicContact CD1-CG2 3.99Å; F738-I748 HydrophobicContact CE1-CD1 4.28Å; F738-I748 HydrophobicContact CE1-CG1 4.26Å; F738-I748 HydrophobicContact CE1-CG2 3.79Å; F738-M773 VanDerWaalsContact C-CE 3.47Å; F738-M773 HydrophobicContact CB-CE 3.5Å; F738-M773 VanDerWaalsContact CB-CE 3.5Å; F738-M773 HydrophobicContact CB-SD 3.88Å; F738-M773 VanDerWaalsContact O-CE 3.32Å; F738-M773 WeakPolarHBondContact O-CE 3.48Å; F738-A775 HydrophobicContact CE2-CB 4.49Å; F738-L785 HydrophobicContact CB-CD2 4.39Å; F738-L785 HydrophobicContact CD1-CD2 3.81Å; F738-L785 HydrophobicContact CD2-CD1 3.88Å; F738-L785 HydrophobicContact CD2-CD2 4.47Å; F738-L785 HydrophobicContact CE1-CD2 4.19Å; F738-L785 HydrophobicContact CE2-CD1 4.26Å; F738-L785 HydrophobicContact CG-CD1 4.11Å; F738-L785 HydrophobicContact CG-CD2 3.97Å; F738-I799 HydrophobicContact CE2-CD1 4.27Å; F738-I799 HydrophobicContact CZ-CD1 3.96Å; F738-I799 HydrophobicContact CZ-CG1 4.48Å
739	I	94.5	Very high	91.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.7	175	-56.9	-65.8	0	0	0	109.3	T697 F702 C724 V726 F737 V746 E747	T697-I739 HydrophobicContact CG2-CD1 3.76Å; F702-I739 HydrophobicContact CB-CD1 4.14Å; F702-I739 HydrophobicContact CD1-CD1 4.26Å; F702-I739 HydrophobicContact CD1-CG1 4.22Å; F702-I739 HydrophobicContact CG-CD1 4.38Å; C724-I739 HydrophobicContact CB-CG2 4.19Å; V726-I739 CarbonylContact O-C 3.58Å; V726-I739 WeakPolarHBondContact O-CA 3.36Å; F737-I739 HydrophobicContact CD2-CD1 3.87Å; F737-I739 HydrophobicContact CD2-CG1 3.98Å; F737-I739 HydrophobicContact CE2-CD1 3.9Å; F737-I739 HydrophobicContact CE2-CG1 3.86Å; I739-V746 CarbonylContact O-C 3.55Å; I739-V746 WeakPolarHBondContact O-CA 3.28Å; I739-E747 HydrophobicContact CB-CB 4.38Å; I739-E747 PolarHBondContact N-O 3.28Å; I739-E747 PolarHBondContact O-N 3.43Å
740	G	93.8	Very high	91.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	148.3	172.3	0	0	0	0	0	112.1	T725 V726	T725-G740 PolarHBondContact N-O 2.88Å; T725-G740 PolarHBondContact OG1-O 3.47Å; V726-G740 PolarHBondContact N-O 3.41Å; V726-G740 PolarHBondContact O-N 3.47Å
741	K	93.2	Very high	91.1	Very high	14 Å²	14	9.4 Å²	9.4	6%	0.061	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	167.1	-173.8	-71.8	177.1	172.8	-177.7	0	114.6	Q722 E723 D743 G744 S745 E747 I770	Q722-K741 HydrophobicContact CB-CD 4.21Å; E723-K741 CarbonylContact O-C 3.47Å; E723-K741 VanDerWaalsContact O-CA 3.25Å; E723-K741 WeakPolarHBondContact O-CA 3.33Å; K741-D743 VanDerWaalsContact C-N 3.3Å; K741-D743 WeakPolarHBondContact CB-OD1 3.2Å; K741-D743 PolarHBondContact O-N 2.74Å; K741-G744 PolarHBondContact O-N 3.05Å; K741-S745 PolarHBondContact N-O 2.72Å; K741-E747 VanDerWaalsContact CE-OE1 3.3Å; K741-E747 WeakPolarHBondContact CE-OE1 3.36Å; K741-E747 IonicContact NZ-OE1 3.91Å; K741-E747 PolarHBondContact NZ-OE1 3.36Å; K741-I770 PolarHBondContact O-N 3.49Å; K741-I770 VanDerWaalsContact O-N 3.15Å
742	T	92.6	Very high	91.2	Very high	41 Å²	41	11 Å²	11	25%	0.252	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.3	178	44.2	0	0	0	0	115.2	E723 T725 G744 K769	E723-T742 HydrophobicContact CB-CG2 3.73Å; E723-T742 PolarHBondContact N-OG1 3.36Å; E723-T742 PolarHBondContact O-N 2.86Å; T725-T742 HydrophobicContact CG2-CG2 3.45Å; T725-T742 VanDerWaalsContact CG2-CG2 3.45Å; T742-G744 VanDerWaalsContact C-N 3.33Å; T742-K769 HydrophobicContact CG2-CB 4.45Å; T742-K769 WeakPolarHBondContact O-CA 3.45Å; T742-K769 WeakPolarHBondContact O-CB 3.45Å; T742-K769 PolarHBondContact O-N 2.94Å
743	D	90.8	Very high	91.1	Very high	34 Å²	34	15.9 Å²	15.9	18%	0.182	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.2	179	71.7	-29	0	0	0	113.8	Q722 K741 S745 H764	Q722-D743 HydrophobicContact CG-CB 4.1Å; K741-D743 VanDerWaalsContact C-N 3.3Å; K741-D743 WeakPolarHBondContact CB-OD1 3.2Å; K741-D743 PolarHBondContact O-N 2.74Å; D743-S745 WeakPolarHBondContact OD1-CB 3.36Å; D743-S745 PolarHBondContact OD1-N 2.75Å; D743-S745 PolarHBondContact OD1-OG 3.25Å; D743-S745 WeakPolarHBondContact OD2-CB 3.44Å; D743-S745 PolarHBondContact OD2-OG 2.93Å; D743-H764 PolarHBondContact O-ND1 3.06Å; D743-H764 IonicContact OD2-CE1 3.48Å; D743-H764 IonicContact OD2-ND1 3.56Å
744	G	89.5	Confident	90.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	84.5	7.5	-176.2	0	0	0	0	0	114.9	K741 T742 I765 S766 S768	K741-G744 PolarHBondContact O-N 3.05Å; T742-G744 VanDerWaalsContact C-N 3.33Å; G744-I765 WeakPolarHBondContact O-CB 3.19Å; G744-I765 PolarHBondContact O-N 2.74Å; G744-S766 PolarHBondContact O-N 3.05Å; G744-S768 WeakPolarHBondContact CA-O 3.23Å; G744-S768 PolarHBondContact N-O 3.08Å
745	S	92.5	Very high	90.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.104	C	C	.	.			trans	-89.6	150.7	-179	-57.5	0	0	0	0	113.3	K741 D743 H762 A763 H764 I770	K741-S745 PolarHBondContact N-O 2.72Å; D743-S745 WeakPolarHBondContact OD1-CB 3.36Å; D743-S745 PolarHBondContact OD1-N 2.75Å; D743-S745 PolarHBondContact OD1-OG 3.25Å; D743-S745 WeakPolarHBondContact OD2-CB 3.44Å; D743-S745 PolarHBondContact OD2-OG 2.93Å; S745-H762 CarbonylContact C-O 3.46Å; S745-H762 VanDerWaalsContact CA-O 3.25Å; S745-H762 WeakPolarHBondContact CA-O 3.48Å; S745-H762 WeakPolarHBondContact CB-O 3.18Å; S745-A763 WeakPolarHBondContact OG-CA 3.43Å; S745-H764 PolarHBondContact OG-N 3.12Å; S745-I770 VanDerWaalsContact O-CD1 3.25Å; S745-I770 WeakPolarHBondContact O-CD1 3.2Å
746	V	93.3	Very high	90.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.9	172.6	-178.7	0	0	0	0	109.8	I739 H762 I765 I770 M773 L785 V787	I739-V746 CarbonylContact O-C 3.55Å; I739-V746 WeakPolarHBondContact O-CA 3.28Å; V746-H762 HydrophobicContact CB-CB 4.46Å; V746-H762 PolarHBondContact N-O 2.84Å; V746-H762 PolarHBondContact O-N 3.17Å; V746-I765 HydrophobicContact CB-CD1 4.01Å; V746-I765 HydrophobicContact CG2-CD1 3.82Å; V746-I770 HydrophobicContact CG2-CD1 3.42Å; V746-I770 VanDerWaalsContact CG2-CD1 3.42Å; V746-M773 HydrophobicContact CG1-SD 4.18Å; V746-L785 HydrophobicContact CG1-CD2 4.49Å; V746-V787 HydrophobicContact CG2-CG1 4.2Å; V746-V787 HydrophobicContact CG2-CG2 4.32Å
747	E	92.9	Very high	90	Very high	8 Å²	8	29 Å²	29	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	147.9	167.7	-73.3	-179.4	176.4	0	0	111.7	F720 F738 I739 K741 W749 P758 Q760 L761	F720-E747 WeakPolarHBondContact CE1-OE1 3.43Å; F720-E747 WeakPolarHBondContact CE1-OE2 3.45Å; F720-E747 WeakPolarHBondContact CZ-OE2 3.09Å; F738-E747 CarbonylContact C-O 3.55Å; F738-E747 WeakPolarHBondContact CA-O 3.41Å; I739-E747 HydrophobicContact CB-CB 4.38Å; I739-E747 PolarHBondContact N-O 3.28Å; I739-E747 PolarHBondContact O-N 3.43Å; K741-E747 VanDerWaalsContact CE-OE1 3.3Å; K741-E747 WeakPolarHBondContact CE-OE1 3.36Å; K741-E747 IonicContact NZ-OE1 3.91Å; K741-E747 PolarHBondContact NZ-OE1 3.36Å; E747-W749 PolarHBondContact OE2-NE1 2.85Å; E747-P758 HydrophobicContact CB-CB 4.06Å; E747-P758 HydrophobicContact CG-CB 4.07Å; E747-P758 HydrophobicContact CG-CG 4.18Å; E747-Q760 WeakPolarHBondContact CA-O 3.31Å; E747-L761 HydrophobicContact CG-CD1 3.62Å
748	I	93.1	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.9	174.2	-43.1	-173.7	0	0	0	107.8	L314 V736 F738 P758 L759 Q760 L803	L314-I748 HydrophobicContact CD1-CD1 3.84Å; L314-I748 HydrophobicContact CD2-CD1 4.32Å; L314-I748 HydrophobicContact CG-CD1 3.77Å; V736-I748 HydrophobicContact CG1-CG2 4.26Å; F738-I748 HydrophobicContact CD1-CB 4.38Å; F738-I748 HydrophobicContact CD1-CD1 4.49Å; F738-I748 HydrophobicContact CD1-CG1 4.04Å; F738-I748 HydrophobicContact CD1-CG2 3.99Å; F738-I748 HydrophobicContact CE1-CD1 4.28Å; F738-I748 HydrophobicContact CE1-CG1 4.26Å; F738-I748 HydrophobicContact CE1-CG2 3.79Å; I748-P758 CarbonylContact O-C 3.5Å; I748-L759 PolarHBondContact O-N 2.86Å; I748-Q760 HydrophobicContact CB-CB 4.22Å; I748-Q760 HydrophobicContact CD1-CB 4.25Å; I748-Q760 VanDerWaalsContact CD1-OE1 3.3Å; I748-Q760 HydrophobicContact CG1-CB 4.27Å; I748-Q760 PolarHBondContact N-O 3.39Å; I748-Q760 PolarHBondContact O-N 2.85Å; I748-L803 HydrophobicContact CD1-CD1 3.61Å; I748-L803 HydrophobicContact CG2-CD1 3.93Å; I748-L803 HydrophobicContact CG2-CD2 3.91Å
749	W	92.5	Very high	89.2	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140	-178.6	-72.6	77.4	0	0	0	109.9	F702 F720 V736 F737 E747 E757 P758	F702-W749 AromaticContact CE1-CD2 3.84Å; F702-W749 HydrophobicContact CE1-CD2 3.84Å; F702-W749 AromaticContact CE1-CE2 3.6Å; F702-W749 HydrophobicContact CE1-CE3 4.09Å; F702-W749 HydrophobicContact CE1-CG 4.49Å; F702-W749 AromaticContact CE1-CH2 3.96Å; F702-W749 HydrophobicContact CE1-CH2 3.96Å; F702-W749 AromaticContact CE1-CZ2 3.7Å; F702-W749 HydrophobicContact CE1-CZ2 3.7Å; F702-W749 HydrophobicContact CE1-CZ3 4.14Å; F702-W749 HydrophobicContact CZ-CD2 4.04Å; F702-W749 AromaticContact CZ-CE3 3.89Å; F702-W749 HydrophobicContact CZ-CE3 3.89Å; F702-W749 HydrophobicContact CZ-CH2 4.24Å; F702-W749 HydrophobicContact CZ-CZ2 4.37Å; F702-W749 AromaticContact CZ-CZ3 3.98Å; F702-W749 HydrophobicContact CZ-CZ3 3.98Å; F720-W749 AromaticContact CE1-CZ2 3.82Å; F720-W749 HydrophobicContact CE1-CZ2 3.82Å; F720-W749 AromaticContact CZ-CZ2 3.69Å; F720-W749 HydrophobicContact CZ-CZ2 3.69Å; V736-W749 VanDerWaalsContact CA-O 3.27Å; V736-W749 WeakPolarHBondContact CA-O 3.47Å; F737-W749 HydrophobicContact CD1-CB 4.06Å; F737-W749 HydrophobicContact CD2-CB 3.99Å; F737-W749 HydrophobicContact CD2-CG 4.32Å; F737-W749 HydrophobicContact CE1-CB 3.67Å; F737-W749 HydrophobicContact CE1-CG 4.41Å; F737-W749 HydrophobicContact CE2-CB 3.58Å; F737-W749 AromaticContact CE2-CD1 3.83Å; F737-W749 HydrophobicContact CE2-CD2 4.31Å; F737-W749 AromaticContact CE2-CG 3.6Å; F737-W749 HydrophobicContact CE2-CG 3.6Å; F737-W749 HydrophobicContact CG-CB 4.21Å; F737-W749 HydrophobicContact CZ-CB 3.4Å; F737-W749 VanDerWaalsContact CZ-CB 3.4Å; F737-W749 HydrophobicContact CZ-CD2 4.11Å; F737-W749 HydrophobicContact CZ-CE3 4.44Å; F737-W749 AromaticContact CZ-CG 3.66Å; F737-W749 HydrophobicContact CZ-CG 3.66Å; F737-W749 PolarHBondContact N-O 2.98Å; F737-W749 VanDerWaalsContact N-O 3.16Å; F737-W749 PolarHBondContact O-N 3.1Å; E747-W749 PolarHBondContact OE2-NE1 2.85Å; W749-E757 VanDerWaalsContact CH2-C 3.45Å; W749-E757 VanDerWaalsContact CZ3-C 3.46Å; W749-P758 HydrophobicContact CD2-CB 4.27Å; W749-P758 HydrophobicContact CZ2-CB 3.99Å; W749-P758 HydrophobicContact CZ2-CG 4.25Å
750	D	90.8	Very high	88.7	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	96.3	174.9	-175.1	-16.1	0	0	0	108.1	R733 A735 V736 L752 K753 N754 L759	R733-D750 IonicContact CZ-OD2 2.65Å; R733-D750 VanDerWaalsContact CZ-OD2 3.31Å; R733-D750 IonicContact NH1-OD2 2.74Å; R733-D750 PolarHBondContact NH1-OD2 3.09Å; R733-D750 IonicContact NH2-OD1 3.66Å; R733-D750 PolarHBondContact NH2-OD1 2.7Å; R733-D750 VanDerWaalsContact NH2-OD1 3.14Å; R733-D750 IonicContact NH2-OD2 3.08Å; R733-D750 PolarHBondContact NH2-OD2 3.07Å; A735-D750 WeakPolarHBondContact CB-OD1 3.28Å; V736-D750 HydrophobicContact CG2-CB 4.27Å; D750-L752 PolarHBondContact O-N 3.18Å; D750-L752 PolarHBondContact OD1-N 2.92Å; D750-K753 HydrophobicContact CB-CB 4.34Å; D750-K753 HydrophobicContact CB-CD 4.35Å; D750-K753 HydrophobicContact CB-CG 4.4Å; D750-K753 PolarHBondContact O-N 3.45Å; D750-K753 WeakPolarHBondContact OD2-CE 3.24Å; D750-N754 PolarHBondContact O-N 2.79Å; D750-L759 HydrophobicContact CB-CB 4.32Å; D750-L759 HydrophobicContact CB-CD2 3.77Å
751	M	88.5	Confident	88.3	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.039	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.4	-168	-67.9	-60.4	-61.9	0	0	114.4	I704 V715 A735 F737 M814 Y817	I704-M751 HydrophobicContact CD1-SD 4.37Å; V715-M751 HydrophobicContact CG1-CE 4.08Å; V715-M751 HydrophobicContact CG2-CE 4.1Å; A735-M751 PolarHBondContact O-N 3.48Å; A735-M751 VanDerWaalsContact O-N 3.07Å; F737-M751 HydrophobicContact CE1-CG 3.81Å; F737-M751 HydrophobicContact CE1-SD 3.84Å; F737-M751 HydrophobicContact CZ-SD 4.26Å; M751-M814 HydrophobicContact CB-CE 3.86Å; M751-M814 HydrophobicContact CB-SD 3.9Å; M751-M814 HydrophobicContact CG-CE 4.3Å; M751-Y817 HydrophobicContact CE-CE1 3.69Å
752	L	86.6	Confident	87.9	Confident	77 Å²	77	41.4 Å²	41.4	40%	0.403	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-15.5	175.4	-64.2	179.2	0	0	0	113.2	A735 D750 E810 M814	A735-L752 HydrophobicContact CB-CB 4.41Å; A735-L752 HydrophobicContact CB-CD1 4.05Å; A735-L752 HydrophobicContact CB-CG 3.87Å; D750-L752 PolarHBondContact O-N 3.18Å; D750-L752 PolarHBondContact OD1-N 2.92Å; L752-E810 HydrophobicContact CD1-CG 3.48Å; L752-E810 VanDerWaalsContact CD1-CG 3.48Å; L752-M814 HydrophobicContact CD1-CG 4.07Å; L752-M814 HydrophobicContact CD1-SD 4.29Å; L752-M814 HydrophobicContact CD2-CG 4.19Å; L752-M814 HydrophobicContact CD2-SD 3.64Å; L752-M814 HydrophobicContact CG-CG 4.06Å; L752-M814 HydrophobicContact CG-SD 3.61Å
753	K	84.1	Confident	87.4	Confident	129 Å²	129	42.4 Å²	42.4	56%	0.561	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-48.8	174.8	-66.6	-175.4	-178	-178.9	0	111.8	D750 L759	D750-K753 HydrophobicContact CB-CB 4.34Å; D750-K753 HydrophobicContact CB-CD 4.35Å; D750-K753 HydrophobicContact CB-CG 4.4Å; D750-K753 PolarHBondContact O-N 3.45Å; D750-K753 WeakPolarHBondContact OD2-CE 3.24Å; K753-L759 HydrophobicContact CD-CD1 3.72Å; K753-L759 HydrophobicContact CD-CD2 4.07Å
754	N	82.4	Confident	87	Confident	48 Å²	48	46.8 Å²	46.8	26%	0.257	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-152.6	129.2	178.7	-166.2	-21	0	0	0	109.8	D750 S756 E757	D750-N754 PolarHBondContact O-N 2.79Å; N754-S756 PolarHBondContact OD1-N 3Å; N754-S756 PolarHBondContact OD1-OG 3.03Å; N754-E757 PolarHBondContact OD1-N 3.16Å; N754-E757 VanDerWaalsContact OD1-N 3.09Å
755	S	83.2	Confident	86.9	Confident	53 Å²	53	48.2 Å²	48.2	37%	0.371	26%	0.259	S	S	.	.	S	Bend	trans	-103.4	-9.6	178.1	56.7	0	0	0	0	113.7
756	S	81	Confident	86.5	Confident	68 Å²	68	48.3 Å²	48.3	48%	0.476	26%	0.26	S	S	.	.	S	Bend	trans	-104.9	-25.1	-178.1	47.4	0	0	0	0	114.8	N754	N754-S756 PolarHBondContact OD1-N 3Å; N754-S756 PolarHBondContact OD1-OG 3.03Å
757	E	85.6	Confident	86.1	Confident	124 Å²	124	58 Å²	58	58%	0.579	30%	0.302	S	S	*	.	S	Bend	trans	-136.5	150.1	-179.1	-55.6	175.4	148	0	0	110	W749 N754	W749-E757 VanDerWaalsContact CH2-C 3.45Å; W749-E757 VanDerWaalsContact CZ3-C 3.46Å; N754-E757 PolarHBondContact OD1-N 3.16Å; N754-E757 VanDerWaalsContact OD1-N 3.09Å
758	P	87.1	Confident	85.8	Confident	40 Å²	40	58.5 Å²	58.5	26%	0.26	31%	0.307	S	S	.	.			trans	-64.3	144.2	178.7	27.6	-35	0	0	0	111.3	E747 I748 W749 Q760	E747-P758 HydrophobicContact CB-CB 4.06Å; E747-P758 HydrophobicContact CG-CB 4.07Å; E747-P758 HydrophobicContact CG-CG 4.18Å; I748-P758 CarbonylContact O-C 3.5Å; W749-P758 HydrophobicContact CD2-CB 4.27Å; W749-P758 HydrophobicContact CZ2-CB 3.99Å; W749-P758 HydrophobicContact CZ2-CG 4.25Å; P758-Q760 PolarHBondContact O-N 3.43Å
759	L	84.8	Confident	85.7	Confident	69 Å²	69	62.9 Å²	62.9	36%	0.361	33%	0.326	S	S	.	.	S	Bend	trans	-63.5	-34	171.6	178.2	65.1	0	0	0	111.3	I748 D750 K753 L803	I748-L759 PolarHBondContact O-N 2.86Å; D750-L759 HydrophobicContact CB-CB 4.32Å; D750-L759 HydrophobicContact CB-CD2 3.77Å; K753-L759 HydrophobicContact CD-CD1 3.72Å; K753-L759 HydrophobicContact CD-CD2 4.07Å; L759-L803 HydrophobicContact CD2-CD2 3.95Å
760	Q	83.8	Confident	85.7	Confident	38 Å²	38	62.7 Å²	62.7	18%	0.178	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	137	178.7	-168	171.9	70.4	0	0	111.6	D312 E747 I748 P758 H762	D312-Q760 PolarHBondContact O-NE2 3.17Å; D312-Q760 PolarHBondContact O-OE1 3.14Å; D312-Q760 VanDerWaalsContact O-OE1 3.12Å; E747-Q760 WeakPolarHBondContact CA-O 3.31Å; I748-Q760 HydrophobicContact CB-CB 4.22Å; I748-Q760 HydrophobicContact CD1-CB 4.25Å; I748-Q760 VanDerWaalsContact CD1-OE1 3.3Å; I748-Q760 HydrophobicContact CG1-CB 4.27Å; I748-Q760 PolarHBondContact N-O 3.39Å; I748-Q760 PolarHBondContact O-N 2.85Å; P758-Q760 PolarHBondContact O-N 3.43Å; Q760-H762 VanDerWaalsContact CD-NE2 3.34Å; Q760-H762 PolarHBondContact OE1-NE2 3.39Å
761	L	86.3	Confident	85.5	Confident	97 Å²	97	64.5 Å²	64.5	51%	0.508	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.2	172.1	173.3	64.7	0	0	0	109.6	E747	E747-L761 HydrophobicContact CG-CD1 3.62Å
762	H	84.8	Confident	85.5	Confident	29 Å²	29	64.7 Å²	64.7	13%	0.134	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	91.7	168	-71.1	-96	0	0	0	109.5	L314 S745 V746 Q760 I765	L314-H762 PolarHBondContact N-CE1 2.89Å; S745-H762 CarbonylContact C-O 3.46Å; S745-H762 VanDerWaalsContact CA-O 3.25Å; S745-H762 WeakPolarHBondContact CA-O 3.48Å; S745-H762 WeakPolarHBondContact CB-O 3.18Å; V746-H762 HydrophobicContact CB-CB 4.46Å; V746-H762 PolarHBondContact N-O 2.84Å; V746-H762 PolarHBondContact O-N 3.17Å; Q760-H762 VanDerWaalsContact CD-NE2 3.34Å; Q760-H762 PolarHBondContact OE1-NE2 3.39Å; H762-I765 HydrophobicContact CB-CD1 3.4Å; H762-I765 HydrophobicContact CB-CG1 3.95Å
763	A	81.8	Confident	85.6	Confident	63 Å²	63	61.3 Å²	61.3	52%	0.521	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	134	179.1	0	0	0	0	0	112	S745 I765	S745-A763 WeakPolarHBondContact OG-CA 3.43Å; A763-I765 PolarHBondContact O-N 3.22Å
764	H	83.5	Confident	85.8	Confident	125 Å²	125	59 Å²	59	58%	0.579	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	43.6	170.1	-49.5	-49.9	0	0	0	115.9	D743 S745 S766	D743-H764 PolarHBondContact O-ND1 3.06Å; D743-H764 IonicContact OD2-CE1 3.48Å; D743-H764 IonicContact OD2-ND1 3.56Å; S745-H764 PolarHBondContact OG-N 3.12Å; H764-S766 CarbonylContact C-O 3.49Å; H764-S766 VanDerWaalsContact C-O 3.3Å; H764-S766 WeakPolarHBondContact CA-O 3.41Å; H764-S766 PolarHBondContact O-N 2.72Å
765	I	86.5	Confident	86	Confident	30 Å²	30	57.2 Å²	57.2	15%	0.154	30%	0.302	C	S	.	.	S	Bend	trans	-52.7	-38.5	166.7	-89.6	171.4	0	0	0	111.2	G744 V746 H762 A763 V787 R795 F797	G744-I765 WeakPolarHBondContact O-CB 3.19Å; G744-I765 PolarHBondContact O-N 2.74Å; V746-I765 HydrophobicContact CB-CD1 4.01Å; V746-I765 HydrophobicContact CG2-CD1 3.82Å; H762-I765 HydrophobicContact CB-CD1 3.4Å; H762-I765 HydrophobicContact CB-CG1 3.95Å; A763-I765 PolarHBondContact O-N 3.22Å; I765-V787 HydrophobicContact CG2-CG1 4.36Å; I765-R795 WeakPolarHBondContact O-CD 3.5Å; I765-R795 PolarHBondContact O-NE 3.4Å; I765-F797 HydrophobicContact CB-CZ 4.29Å; I765-F797 HydrophobicContact CD1-CE1 4.11Å; I765-F797 HydrophobicContact CD1-CE2 4.04Å; I765-F797 HydrophobicContact CD1-CZ 3.68Å; I765-F797 HydrophobicContact CG1-CE1 4.31Å; I765-F797 HydrophobicContact CG1-CE2 4.43Å; I765-F797 HydrophobicContact CG1-CZ 3.75Å; I765-F797 HydrophobicContact CG2-CE2 3.7Å; I765-F797 HydrophobicContact CG2-CZ 3.61Å
766	S	84.9	Confident	85.9	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.021	29%	0.287	C	S	.	.	S	Bend	trans	-112.5	166	162.6	-168.2	0	0	0	0	111.8	G744 H764 S768 D789 R795	G744-S766 PolarHBondContact O-N 3.05Å; H764-S766 CarbonylContact C-O 3.49Å; H764-S766 VanDerWaalsContact C-O 3.3Å; H764-S766 WeakPolarHBondContact CA-O 3.41Å; H764-S766 PolarHBondContact O-N 2.72Å; S766-S768 VanDerWaalsContact C-N 3.29Å; S766-S768 WeakPolarHBondContact CB-O 3.44Å; S766-S768 PolarHBondContact OG-N 3.26Å; S766-D789 PolarHBondContact OG-OD2 3.07Å; S766-R795 PolarHBondContact OG-NH2 2.94Å
767	K	83.8	Confident	85.9	Confident	203 Å²	203	53.5 Å²	53.5	88%	0.883	28%	0.276	S	S	*	.	S	Bend	trans	-89.1	3	172.2	-60.4	-176.6	177.8	-177.6	0	112.5
768	S	87.6	Confident	85	Confident	19 Å²	19	49.3 Å²	49.3	13%	0.133	26%	0.256	C	S	.	.	S	Bend	trans	-154.4	175.1	-175.7	72.2	0	0	0	0	110.4	G744 S766 I770 D790 L791	G744-S768 WeakPolarHBondContact CA-O 3.23Å; G744-S768 PolarHBondContact N-O 3.08Å; S766-S768 VanDerWaalsContact C-N 3.29Å; S766-S768 WeakPolarHBondContact CB-O 3.44Å; S766-S768 PolarHBondContact OG-N 3.26Å; S768-I770 PolarHBondContact O-N 3.34Å; S768-D790 WeakPolarHBondContact CB-OD1 3.44Å; S768-D790 PolarHBondContact OG-OD1 3.04Å; S768-L791 WeakPolarHBondContact OG-CD1 3.14Å; S768-L791 WeakPolarHBondContact OG-CG 3.16Å
769	K	90.4	Very high	84.1	Confident	92 Å²	92	49.8 Å²	49.8	40%	0.4	26%	0.258	S	S	.	.			trans	-61.4	137.7	-170.5	74.1	-159.3	-178.1	-139.8	0	112.5	T725 T742 T771 D789 D790	T725-K769 HydrophobicContact CG2-CB 4.49Å; T742-K769 HydrophobicContact CG2-CB 4.45Å; T742-K769 WeakPolarHBondContact O-CA 3.45Å; T742-K769 WeakPolarHBondContact O-CB 3.45Å; T742-K769 PolarHBondContact O-N 2.94Å; K769-T771 HydrophobicContact CG-CG2 4.34Å; K769-T771 PolarHBondContact O-N 2.77Å; K769-D789 WeakPolarHBondContact O-CA 3.28Å; K769-D789 WeakPolarHBondContact O-CB 3.49Å; K769-D790 HydrophobicContact CD-CB 4.43Å; K769-D790 WeakPolarHBondContact CD-OD2 3.34Å; K769-D790 WeakPolarHBondContact CE-OD2 3.39Å; K769-D790 HydrophobicContact CG-CB 4.01Å; K769-D790 WeakPolarHBondContact CG-OD2 3.44Å; K769-D790 IonicContact NZ-OD2 3.66Å; K769-D790 PolarHBondContact NZ-OD2 2.9Å; K769-D790 PolarHBondContact O-N 3.04Å
770	I	91.7	Very high	83.3	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	130.1	166.7	-61.6	175	0	0	0	107.4	T725 V726 K741 S745 V746 S768 V787 A788	T725-I770 WeakPolarHBondContact CB-O 3.36Å; T725-I770 WeakPolarHBondContact CG2-O 3.44Å; T725-I770 PolarHBondContact OG1-O 3.4Å; V726-I770 HydrophobicContact CG1-CG2 3.66Å; K741-I770 PolarHBondContact O-N 3.49Å; K741-I770 VanDerWaalsContact O-N 3.15Å; S745-I770 VanDerWaalsContact O-CD1 3.25Å; S745-I770 WeakPolarHBondContact O-CD1 3.2Å; V746-I770 HydrophobicContact CG2-CD1 3.42Å; V746-I770 VanDerWaalsContact CG2-CD1 3.42Å; S768-I770 PolarHBondContact O-N 3.34Å; I770-V787 HydrophobicContact CD1-CG1 3.71Å; I770-V787 HydrophobicContact CG1-CG1 3.92Å; I770-V787 HydrophobicContact CG2-CG1 3.91Å; I770-A788 CarbonylContact C-O 3.41Å; I770-A788 WeakPolarHBondContact CA-O 3.22Å
771	T	88.4	Confident	82.7	Confident	38 Å²	38	56.1 Å²	56.1	23%	0.233	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-33.6	-178.8	51	0	0	0	0	112.6	I331 K769 A788 D790	I331-T771 WeakPolarHBondContact O-CB 3Å; I331-T771 PolarHBondContact O-OG1 2.86Å; K769-T771 HydrophobicContact CG-CG2 4.34Å; K769-T771 PolarHBondContact O-N 2.77Å; T771-A788 PolarHBondContact N-O 3.49Å; T771-A788 PolarHBondContact OG1-O 2.84Å; T771-D790 HydrophobicContact CG2-CB 3.68Å
772	C	86.9	Confident	82.3	Confident	13 Å²	13	54.8 Å²	54.8	9%	0.088	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	155.7	173.2	71.9	0	0	0	0	111.7	L334 A788	L334-C772 VanDerWaalsContact CB-SG 3.56Å; C772-A788 PolarHBondContact O-N 2.92Å
773	M	90.1	Very high	82.3	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137.5	-177.7	178.1	169	62.2	0	0	109.8	V726 C728 F738 V746 L785 A786 V787	V726-M773 HydrophobicContact CG1-CB 3.71Å; V726-M773 HydrophobicContact CG1-CE 4.27Å; V726-M773 HydrophobicContact CG2-CB 4.08Å; C728-M773 HydrophobicContact CB-CE 4.19Å; C728-M773 HydrophobicContact CB-CG 4.39Å; F738-M773 VanDerWaalsContact C-CE 3.47Å; F738-M773 HydrophobicContact CB-CE 3.5Å; F738-M773 VanDerWaalsContact CB-CE 3.5Å; F738-M773 HydrophobicContact CB-SD 3.88Å; F738-M773 VanDerWaalsContact O-CE 3.32Å; F738-M773 WeakPolarHBondContact O-CE 3.48Å; V746-M773 HydrophobicContact CG1-SD 4.18Å; M773-L785 HydrophobicContact CG-CD1 3.65Å; M773-L785 HydrophobicContact CG-CG 4.09Å; M773-L785 HydrophobicContact SD-CD1 3.98Å; M773-L785 HydrophobicContact SD-CD2 3.93Å; M773-L785 HydrophobicContact SD-CG 4.15Å; M773-A786 CarbonylContact C-O 3.58Å; M773-A786 WeakPolarHBondContact CA-O 3.36Å; M773-A786 WeakPolarHBondContact CG-O 3.15Å; M773-V787 HydrophobicContact CG-CG2 4.18Å; M773-V787 HydrophobicContact SD-CG2 4.12Å
774	K	86.7	Confident	82.6	Confident	81 Å²	81	51 Å²	51	35%	0.352	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	129.3	171.9	-69.7	-161.1	-178.7	-176.8	0	112.8	L334 N335 W336 A786	L334-K774 HydrophobicContact CD2-CB 4.03Å; L334-K774 HydrophobicContact CD2-CG 4.43Å; L334-K774 VanDerWaalsContact O-CD 3.25Å; L334-K774 WeakPolarHBondContact O-CD 3.46Å; L334-K774 WeakPolarHBondContact O-CE 3.34Å; L334-K774 PolarHBondContact O-NZ 3.22Å; N335-K774 PolarHBondContact OD1-NZ 3.44Å; W336-K774 PolarHBondContact NE1-O 2.91Å; K774-A786 PolarHBondContact N-O 2.86Å; K774-A786 PolarHBondContact O-N 3.19Å
775	A	87.3	Confident	82.9	Confident	10 Å²	10	45.1 Å²	45.1	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	157.1	166.8	0	0	0	0	0	112.1	C728 L731 F738 F784 L785	C728-A775 PolarHBondContact SG-N 3.44Å; C728-A775 VanDerWaalsContact SG-N 3.41Å; L731-A775 HydrophobicContact CG-CB 4.22Å; F738-A775 HydrophobicContact CE2-CB 4.49Å; A775-F784 CarbonylContact C-O 3.5Å; A775-F784 VanDerWaalsContact CA-O 3.32Å; A775-F784 WeakPolarHBondContact CA-O 3.49Å; A775-L785 HydrophobicContact CB-CD1 4.18Å
776	C	81.9	Confident	82.9	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.054	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.1	174.6	-168.5	0	0	0	0	110.2	W336 H783 F784	W336-C776 HydrophobicContact CD2-CB 3.61Å; W336-C776 VanDerWaalsContact CE2-CB 3.49Å; W336-C776 HydrophobicContact CE3-CB 4.19Å; W336-C776 HydrophobicContact CG-CB 3.77Å; W336-C776 HydrophobicContact CH2-CB 4.43Å; W336-C776 HydrophobicContact CZ2-CB 3.91Å; C776-H783 WeakPolarHBondContact O-CA 3.41Å; C776-F784 PolarHBondContact N-O 2.88Å; C776-F784 PolarHBondContact O-N 2.83Å
777	S	79.7	Confident	83.2	Confident	34 Å²	34	43.7 Å²	43.7	24%	0.238	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.8	164.9	-175	0	0	0	0	107.5	H341 T779 H783	H341-S777 PolarHBondContact CE1-O 2.89Å; H341-S777 PolarHBondContact ND1-O 2.59Å; S777-T779 PolarHBondContact OG-O 2.9Å; S777-H783 PolarHBondContact OG-CE1 3.25Å
778	F	67.6	Low	83.4	Confident	37 Å²	37	34 Å²	34	16%	0.162	19%	0.187	C	C	.	.	S	Bend	trans	-98.1	-41	-177.7	-174.9	-112.5	0	0	0	111.6	Q782 F784	F778-Q782 PolarHBondContact N-O 2.95Å; F778-F784 HydrophobicContact CB-CD2 3.83Å; F778-F784 HydrophobicContact CB-CE2 3.81Å; F778-F784 HydrophobicContact CD1-CE2 4.03Å; F778-F784 HydrophobicContact CG-CD2 4.39Å; F778-F784 HydrophobicContact CG-CE2 4.03Å
779	T	67.9	Low	83.4	Confident	49 Å²	49	33.1 Å²	33.1	30%	0.301	18%	0.181	S	C	.	.	S	Bend	trans	-135.3	178.8	164.4	73.2	0	0	0	0	108.8	S777 E781 Q782	S777-T779 PolarHBondContact OG-O 2.9Å; T779-E781 PolarHBondContact O-N 2.74Å; T779-E781 PolarHBondContact OG1-N 2.81Å; T779-E781 VanDerWaalsContact OG1-N 3.1Å; T779-Q782 PolarHBondContact N-O 2.93Å; T779-Q782 VanDerWaalsContact N-O 3.14Å; T779-Q782 PolarHBondContact OG1-N 3.07Å
780	A	68	Low	83.3	Confident	91 Å²	91	30.3 Å²	30.3	75%	0.752	17%	0.17	S	C	*	.	S	Bend	trans	-66.7	-9	171.4	0	0	0	0	0	113.9
781	E	70.3	Confident	82.9	Confident	149 Å²	149	34.9 Å²	34.9	70%	0.696	20%	0.195	S	C	*	.	S	Bend	trans	-123	-8.6	-176	-62.1	179.8	175.6	0	0	113	T779 Y804	T779-E781 PolarHBondContact O-N 2.74Å; T779-E781 PolarHBondContact OG1-N 2.81Å; T779-E781 VanDerWaalsContact OG1-N 3.1Å; E781-Y804 PolarHBondContact O-OH 3.18Å
782	Q	78.1	Confident	82.4	Confident	70 Å²	70	33.2 Å²	33.2	33%	0.327	18%	0.184	S	C	.	.			trans	-131.6	117.4	-179.5	-65.5	-165.2	-69.7	0	0	111.2	F778 T779 E798	F778-Q782 PolarHBondContact N-O 2.95Å; T779-Q782 PolarHBondContact N-O 2.93Å; T779-Q782 VanDerWaalsContact N-O 3.14Å; T779-Q782 PolarHBondContact OG1-N 3.07Å; Q782-E798 PolarHBondContact NE2-OE1 3.13Å
783	H	85.6	Confident	82.3	Confident	9 Å²	9	33.7 Å²	33.7	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.6	-179.9	-70.3	-97.1	0	0	0	109.3	S732 C776 S777 I799 Y804	S732-H783 PolarHBondContact OG-CE1 3.38Å; C776-H783 WeakPolarHBondContact O-CA 3.41Å; S777-H783 PolarHBondContact OG-CE1 3.25Å; H783-I799 HydrophobicContact CB-CB 3.98Å; H783-I799 HydrophobicContact CB-CD1 4.15Å; H783-I799 HydrophobicContact CB-CG1 4.46Å; H783-I799 PolarHBondContact O-N 3.45Å; H783-Y804 HydrophobicContact CB-CD1 4.31Å; H783-Y804 HydrophobicContact CB-CG 4.3Å; H783-Y804 AromaticContact CD2-CD1 3.74Å; H783-Y804 AromaticContact CD2-CD2 3.22Å; H783-Y804 WeakPolarHBondContact CD2-CD2 3.35Å; H783-Y804 AromaticContact CD2-CE2 3.8Å; H783-Y804 AromaticContact CD2-CG 3.23Å; H783-Y804 AromaticContact CG-CG 3.87Å; H783-Y804 AromaticContact NE2-CD2 3.4Å; H783-Y804 WeakPolarHBondContact NE2-CD2 3.35Å; H783-Y804 AromaticContact NE2-CG 3.82Å
784	F	87.1	Confident	82.1	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.7	-176.2	-66	-63.7	0	0	0	112.4	H317 W336 A775 C776 F778 I796 F797 E798	H317-F784 HydrophobicContact CB-CE1 4.21Å; H317-F784 AromaticContact CD2-CE1 3.45Å; H317-F784 VanDerWaalsContact CD2-CE1 3.45Å; H317-F784 WeakPolarHBondContact CD2-CE1 3.27Å; H317-F784 AromaticContact CD2-CZ 3.8Å; H317-F784 AromaticContact CG-CE1 3.93Å; W336-F784 HydrophobicContact CH2-CB 3.94Å; W336-F784 HydrophobicContact CZ2-CB 4.11Å; A775-F784 CarbonylContact C-O 3.5Å; A775-F784 VanDerWaalsContact CA-O 3.32Å; A775-F784 WeakPolarHBondContact CA-O 3.49Å; C776-F784 PolarHBondContact N-O 2.88Å; C776-F784 PolarHBondContact O-N 2.83Å; F778-F784 HydrophobicContact CB-CD2 3.83Å; F778-F784 HydrophobicContact CB-CE2 3.81Å; F778-F784 HydrophobicContact CD1-CE2 4.03Å; F778-F784 HydrophobicContact CG-CD2 4.39Å; F778-F784 HydrophobicContact CG-CE2 4.03Å; F784-I796 HydrophobicContact CB-CG2 4.18Å; F784-I796 HydrophobicContact CD1-CG2 3.94Å; F784-I796 HydrophobicContact CG-CG2 4.2Å; F784-F797 CarbonylContact C-O 3.59Å; F784-F797 VanDerWaalsContact CA-O 3.25Å; F784-F797 WeakPolarHBondContact CA-O 3.4Å; F784-E798 HydrophobicContact CD1-CB 4.15Å; F784-E798 HydrophobicContact CD1-CG 4.41Å; F784-E798 HydrophobicContact CE1-CB 3.95Å; F784-E798 HydrophobicContact CE1-CG 3.99Å
785	L	89.8	Confident	82.1	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.9	169.8	-171	65.5	0	0	0	109	L314 F738 V746 M773 A775 V787 F797 I799	L314-L785 HydrophobicContact CD1-CD2 3.98Å; F738-L785 HydrophobicContact CB-CD2 4.39Å; F738-L785 HydrophobicContact CD1-CD2 3.81Å; F738-L785 HydrophobicContact CD2-CD1 3.88Å; F738-L785 HydrophobicContact CD2-CD2 4.47Å; F738-L785 HydrophobicContact CE1-CD2 4.19Å; F738-L785 HydrophobicContact CE2-CD1 4.26Å; F738-L785 HydrophobicContact CG-CD1 4.11Å; F738-L785 HydrophobicContact CG-CD2 3.97Å; V746-L785 HydrophobicContact CG1-CD2 4.49Å; M773-L785 HydrophobicContact CG-CD1 3.65Å; M773-L785 HydrophobicContact CG-CG 4.09Å; M773-L785 HydrophobicContact SD-CD1 3.98Å; M773-L785 HydrophobicContact SD-CD2 3.93Å; M773-L785 HydrophobicContact SD-CG 4.15Å; A775-L785 HydrophobicContact CB-CD1 4.18Å; L785-V787 HydrophobicContact CD2-CG2 4.16Å; L785-V787 HydrophobicContact CG-CG2 4Å; L785-F797 HydrophobicContact CB-CB 4.38Å; L785-F797 PolarHBondContact N-O 3.13Å; L785-F797 PolarHBondContact O-N 3.05Å; L785-I799 HydrophobicContact CB-CD1 4.09Å; L785-I799 HydrophobicContact CB-CG1 4.06Å
786	A	87.8	Confident	82.1	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.2	169.5	0	0	0	0	0	109.8	L334 W336 M773 K774 L794 I796	L334-A786 HydrophobicContact CD1-CB 3.77Å; L334-A786 HydrophobicContact CD2-CB 3.63Å; L334-A786 HydrophobicContact CG-CB 4.39Å; W336-A786 HydrophobicContact CH2-CB 4.4Å; W336-A786 HydrophobicContact CZ2-CB 3.49Å; W336-A786 VanDerWaalsContact CZ2-CB 3.49Å; M773-A786 CarbonylContact C-O 3.58Å; M773-A786 WeakPolarHBondContact CA-O 3.36Å; M773-A786 WeakPolarHBondContact CG-O 3.15Å; K774-A786 PolarHBondContact N-O 2.86Å; K774-A786 PolarHBondContact O-N 3.19Å; A786-L794 HydrophobicContact CB-CD1 3.96Å; A786-I796 HydrophobicContact CB-CD1 3.78Å
787	V	90.6	Very high	82.5	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	116	178.8	-177	0	0	0	0	108.8	V746 I765 I770 M773 L785 R795 F797	V746-V787 HydrophobicContact CG2-CG1 4.2Å; V746-V787 HydrophobicContact CG2-CG2 4.32Å; I765-V787 HydrophobicContact CG2-CG1 4.36Å; I770-V787 HydrophobicContact CD1-CG1 3.71Å; I770-V787 HydrophobicContact CG1-CG1 3.92Å; I770-V787 HydrophobicContact CG2-CG1 3.91Å; M773-V787 HydrophobicContact CG-CG2 4.18Å; M773-V787 HydrophobicContact SD-CG2 4.12Å; L785-V787 HydrophobicContact CD2-CG2 4.16Å; L785-V787 HydrophobicContact CG-CG2 4Å; V787-R795 PolarHBondContact N-O 3.16Å; V787-R795 PolarHBondContact O-N 2.94Å; V787-F797 HydrophobicContact CB-CD2 4.47Å; V787-F797 HydrophobicContact CB-CE2 4.31Å; V787-F797 HydrophobicContact CG2-CD2 4Å; V787-F797 HydrophobicContact CG2-CE2 4.21Å
788	A	88.4	Confident	82.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.1	-179	0	0	0	0	0	112.5	I331 I770 T771 C772 V793 L794	I331-A788 HydrophobicContact CB-CB 3.81Å; I331-A788 HydrophobicContact CD1-CB 3.85Å; I331-A788 HydrophobicContact CG1-CB 4.43Å; I331-A788 HydrophobicContact CG2-CB 3.44Å; I331-A788 VanDerWaalsContact CG2-CB 3.44Å; I770-A788 CarbonylContact C-O 3.41Å; I770-A788 WeakPolarHBondContact CA-O 3.22Å; T771-A788 PolarHBondContact N-O 3.49Å; T771-A788 PolarHBondContact OG1-O 2.84Å; C772-A788 PolarHBondContact O-N 2.92Å; A788-V793 WeakPolarHBondContact CA-O 3.35Å; A788-L794 HydrophobicContact CB-CD1 4.2Å
789	D	88.1	Confident	83.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	174.2	179	65.5	33	0	0	0	114.5	I331 S766 K769 L791 G792 V793 R795	I331-D789 PolarHBondContact N-O 3.25Å; S766-D789 PolarHBondContact OG-OD2 3.07Å; K769-D789 WeakPolarHBondContact O-CA 3.28Å; K769-D789 WeakPolarHBondContact O-CB 3.49Å; D789-L791 VanDerWaalsContact C-N 3.28Å; D789-L791 PolarHBondContact O-N 3.24Å; D789-L791 WeakPolarHBondContact OD1-CA 3.31Å; D789-L791 PolarHBondContact OD1-N 3.24Å; D789-G792 PolarHBondContact O-N 2.96Å; D789-G792 PolarHBondContact OD1-N 3.34Å; D789-G792 VanDerWaalsContact OD1-N 3.14Å; D789-V793 PolarHBondContact N-O 3.11Å; D789-V793 VanDerWaalsContact N-O 3.12Å; D789-V793 WeakPolarHBondContact OD1-CB 3.28Å; D789-V793 PolarHBondContact OD1-N 3.06Å; D789-V793 WeakPolarHBondContact OD2-CB 3.49Å; D789-R795 IonicContact OD2-CZ 2.68Å; D789-R795 VanDerWaalsContact OD2-CZ 3.26Å; D789-R795 IonicContact OD2-NH1 3.99Å; D789-R795 PolarHBondContact OD2-NH1 3.09Å; D789-R795 IonicContact OD2-NH2 2.7Å; D789-R795 PolarHBondContact OD2-NH2 2.86Å
790	D	86.8	Confident	84.8	Confident	33 Å²	33	28.6 Å²	28.6	18%	0.176	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.8	177.9	71.3	-17.2	0	0	0	114.4	T330 S768 K769 T771	T330-D790 HydrophobicContact CG2-CB 3.99Å; T330-D790 WeakPolarHBondContact CG2-O 3.25Å; S768-D790 WeakPolarHBondContact CB-OD1 3.44Å; S768-D790 PolarHBondContact OG-OD1 3.04Å; K769-D790 HydrophobicContact CD-CB 4.43Å; K769-D790 WeakPolarHBondContact CD-OD2 3.34Å; K769-D790 WeakPolarHBondContact CE-OD2 3.39Å; K769-D790 HydrophobicContact CG-CB 4.01Å; K769-D790 WeakPolarHBondContact CG-OD2 3.44Å; K769-D790 IonicContact NZ-OD2 3.66Å; K769-D790 PolarHBondContact NZ-OD2 2.9Å; K769-D790 PolarHBondContact O-N 3.04Å; T771-D790 HydrophobicContact CG2-CB 3.68Å
791	L	83.8	Confident	85.5	Confident	98 Å²	98	30 Å²	30	51%	0.513	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.9	173.3	-66.3	175	0	0	0	113	S768 D789 V793	S768-L791 WeakPolarHBondContact OG-CD1 3.14Å; S768-L791 WeakPolarHBondContact OG-CG 3.16Å; D789-L791 VanDerWaalsContact C-N 3.28Å; D789-L791 PolarHBondContact O-N 3.24Å; D789-L791 WeakPolarHBondContact OD1-CA 3.31Å; D789-L791 PolarHBondContact OD1-N 3.24Å; L791-V793 HydrophobicContact CB-CG2 4.48Å
792	G	77.6	Confident	86.1	Confident	2 Å²	2	24.6 Å²	24.6	2%	0.021	13%	0.125	C	C	.	.	S	Bend	trans	92.4	15.2	176.6	0	0	0	0	0	114	K329 D789	K329-G792 WeakPolarHBondContact O-CA 3.32Å; K329-G792 PolarHBondContact O-N 2.7Å; K329-G792 VanDerWaalsContact O-N 3.07Å; D789-G792 PolarHBondContact O-N 2.96Å; D789-G792 PolarHBondContact OD1-N 3.34Å; D789-G792 VanDerWaalsContact OD1-N 3.14Å
793	V	84.3	Confident	86.3	Confident	23 Å²	23	21.5 Å²	21.5	14%	0.139	11%	0.111	C	C	.	.			trans	-101.7	124.1	-177.7	-169.9	0	0	0	0	110.5	V319 T321 A788 D789 L791 R795	V319-V793 HydrophobicContact CG1-CG1 3.43Å; V319-V793 VanDerWaalsContact CG1-CG1 3.43Å; T321-V793 HydrophobicContact CG2-CB 4.24Å; T321-V793 HydrophobicContact CG2-CG1 3.59Å; T321-V793 HydrophobicContact CG2-CG2 3.85Å; A788-V793 WeakPolarHBondContact CA-O 3.35Å; D789-V793 PolarHBondContact N-O 3.11Å; D789-V793 VanDerWaalsContact N-O 3.12Å; D789-V793 WeakPolarHBondContact OD1-CB 3.28Å; D789-V793 PolarHBondContact OD1-N 3.06Å; D789-V793 WeakPolarHBondContact OD2-CB 3.49Å; L791-V793 HydrophobicContact CB-CG2 4.48Å; V793-R795 HydrophobicContact CG1-CG 4.48Å; V793-R795 PolarHBondContact O-NH1 3.28Å
794	L	86.1	Confident	86.1	Confident	1 Å²	1	22 Å²	22	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.9	167.3	168.9	64.2	0	0	0	110	V319 F320 I331 L334 K348 V350 Y374 A786 A788 I796	V319-L794 CarbonylContact C-O 3.55Å; V319-L794 WeakPolarHBondContact CA-O 3.49Å; F320-L794 HydrophobicContact CB-CB 4.24Å; F320-L794 HydrophobicContact CD2-CD2 4.27Å; F320-L794 HydrophobicContact CD2-CG 4.37Å; F320-L794 PolarHBondContact N-O 3.07Å; F320-L794 PolarHBondContact O-N 2.94Å; F320-L794 VanDerWaalsContact O-N 3.16Å; I331-L794 HydrophobicContact CD1-CB 4.17Å; L334-L794 HydrophobicContact CD1-CD1 3.48Å; L334-L794 VanDerWaalsContact CD1-CD1 3.48Å; L334-L794 HydrophobicContact CD1-CD2 3.78Å; L334-L794 HydrophobicContact CD1-CG 4.28Å; K348-L794 HydrophobicContact CD-CD2 4.41Å; V350-L794 HydrophobicContact CB-CD2 4.07Å; V350-L794 HydrophobicContact CG1-CB 4.23Å; V350-L794 HydrophobicContact CG1-CD2 3.53Å; V350-L794 HydrophobicContact CG1-CG 4.48Å; V350-L794 HydrophobicContact CG2-CD2 3.37Å; Y374-L794 HydrophobicContact CD2-CD2 4.37Å; A786-L794 HydrophobicContact CB-CD1 3.96Å; A788-L794 HydrophobicContact CB-CD1 4.2Å; L794-I796 HydrophobicContact CD1-CD1 3.87Å; L794-I796 HydrophobicContact CD2-CD1 3.9Å; L794-I796 HydrophobicContact CG-CD1 3.87Å; L794-I796 HydrophobicContact CG-CG1 4.4Å
795	R	87.5	Confident	85.9	Confident	31 Å²	31	27.2 Å²	27.2	12%	0.117	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.5	169.2	-64.7	163.2	-163.8	69.5	-1.5	109.3	L316 V319 I765 S766 V787 D789 V793 F797	L316-R795 HydrophobicContact CD1-CB 3.97Å; L316-R795 HydrophobicContact CD1-CG 4.33Å; V319-R795 HydrophobicContact CG1-CG 4.22Å; V319-R795 HydrophobicContact CG2-CG 4.26Å; I765-R795 WeakPolarHBondContact O-CD 3.5Å; I765-R795 PolarHBondContact O-NE 3.4Å; S766-R795 PolarHBondContact OG-NH2 2.94Å; V787-R795 PolarHBondContact N-O 3.16Å; V787-R795 PolarHBondContact O-N 2.94Å; D789-R795 IonicContact OD2-CZ 2.68Å; D789-R795 VanDerWaalsContact OD2-CZ 3.26Å; D789-R795 IonicContact OD2-NH1 3.99Å; D789-R795 PolarHBondContact OD2-NH1 3.09Å; D789-R795 IonicContact OD2-NH2 2.7Å; D789-R795 PolarHBondContact OD2-NH2 2.86Å; V793-R795 HydrophobicContact CG1-CG 4.48Å; V793-R795 PolarHBondContact O-NH1 3.28Å; R795-F797 HydrophobicContact CB-CD2 4.33Å; R795-F797 HydrophobicContact CB-CE2 3.61Å; R795-F797 HydrophobicContact CB-CZ 4.2Å
796	I	87.8	Confident	85.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.7	176.9	-55.4	-62.6	0	0	0	107.5	H317 Q318 F320 W336 K348 F784 A786 L794	H317-I796 HydrophobicContact CB-CG2 4.48Å; H317-I796 PolarHBondContact N-O 3.2Å; Q318-I796 PolarHBondContact N-O 3.19Å; Q318-I796 PolarHBondContact O-N 3.44Å; F320-I796 HydrophobicContact CD2-CG1 4.14Å; F320-I796 HydrophobicContact CE2-CG1 3.81Å; W336-I796 HydrophobicContact CH2-CD1 4Å; W336-I796 HydrophobicContact CH2-CG2 4.4Å; W336-I796 HydrophobicContact CZ2-CD1 4.33Å; K348-I796 HydrophobicContact CD-CD1 3.93Å; K348-I796 HydrophobicContact CD-CG1 4.37Å; F784-I796 HydrophobicContact CB-CG2 4.18Å; F784-I796 HydrophobicContact CD1-CG2 3.94Å; F784-I796 HydrophobicContact CG-CG2 4.2Å; A786-I796 HydrophobicContact CB-CD1 3.78Å; L794-I796 HydrophobicContact CD1-CD1 3.87Å; L794-I796 HydrophobicContact CD2-CD1 3.9Å; L794-I796 HydrophobicContact CG-CD1 3.87Å; L794-I796 HydrophobicContact CG-CG1 4.4Å
797	F	89.6	Confident	84.6	Confident	11 Å²	11	37.8 Å²	37.8	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.1	175.1	-66	-89.3	0	0	0	110.3	L314 V315 L316 I765 F784 L785 V787 R795	L314-F797 HydrophobicContact CB-CB 4.09Å; L314-F797 HydrophobicContact CB-CD1 3.9Å; L314-F797 HydrophobicContact CB-CG 4.24Å; L314-F797 HydrophobicContact CD2-CB 4.35Å; V315-F797 CarbonylContact O-C 3.58Å; V315-F797 WeakPolarHBondContact O-CA 3.42Å; L316-F797 HydrophobicContact CB-CD1 4.16Å; L316-F797 HydrophobicContact CB-CE1 3.88Å; L316-F797 HydrophobicContact CD1-CD1 4.23Å; L316-F797 HydrophobicContact CD1-CE1 3.83Å; L316-F797 HydrophobicContact CD1-CE2 4.23Å; L316-F797 HydrophobicContact CD1-CZ 3.81Å; L316-F797 HydrophobicContact CG-CE1 4.41Å; I765-F797 HydrophobicContact CB-CZ 4.29Å; I765-F797 HydrophobicContact CD1-CE1 4.11Å; I765-F797 HydrophobicContact CD1-CE2 4.04Å; I765-F797 HydrophobicContact CD1-CZ 3.68Å; I765-F797 HydrophobicContact CG1-CE1 4.31Å; I765-F797 HydrophobicContact CG1-CE2 4.43Å; I765-F797 HydrophobicContact CG1-CZ 3.75Å; I765-F797 HydrophobicContact CG2-CE2 3.7Å; I765-F797 HydrophobicContact CG2-CZ 3.61Å; F784-F797 CarbonylContact C-O 3.59Å; F784-F797 VanDerWaalsContact CA-O 3.25Å; F784-F797 WeakPolarHBondContact CA-O 3.4Å; L785-F797 HydrophobicContact CB-CB 4.38Å; L785-F797 PolarHBondContact N-O 3.13Å; L785-F797 PolarHBondContact O-N 3.05Å; V787-F797 HydrophobicContact CB-CD2 4.47Å; V787-F797 HydrophobicContact CB-CE2 4.31Å; V787-F797 HydrophobicContact CG2-CD2 4Å; V787-F797 HydrophobicContact CG2-CE2 4.21Å; R795-F797 HydrophobicContact CB-CD2 4.33Å; R795-F797 HydrophobicContact CB-CE2 3.61Å; R795-F797 HydrophobicContact CB-CZ 4.2Å
798	E	88.4	Confident	84	Confident	54 Å²	54	40.9 Å²	40.9	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.7	163.9	-167.4	158.2	-161.6	0	0	108.7	V315 Q782 F784	V315-E798 PolarHBondContact N-O 3.4Å; V315-E798 VanDerWaalsContact N-O 3.17Å; V315-E798 PolarHBondContact O-N 2.94Å; Q782-E798 PolarHBondContact NE2-OE1 3.13Å; F784-E798 HydrophobicContact CD1-CB 4.15Å; F784-E798 HydrophobicContact CD1-CG 4.41Å; F784-E798 HydrophobicContact CE1-CB 3.95Å; F784-E798 HydrophobicContact CE1-CG 3.99Å
799	I	88.9	Confident	83.7	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.3	-179.6	-61.1	174	0	0	0	107.1	L314 F738 H783 L785 L803 Y804	L314-I799 HydrophobicContact CD2-CB 4.46Å; L314-I799 HydrophobicContact CD2-CG1 4.05Å; F738-I799 HydrophobicContact CE2-CD1 4.27Å; F738-I799 HydrophobicContact CZ-CD1 3.96Å; F738-I799 HydrophobicContact CZ-CG1 4.48Å; H783-I799 HydrophobicContact CB-CB 3.98Å; H783-I799 HydrophobicContact CB-CD1 4.15Å; H783-I799 HydrophobicContact CB-CG1 4.46Å; H783-I799 PolarHBondContact O-N 3.45Å; L785-I799 HydrophobicContact CB-CD1 4.09Å; L785-I799 HydrophobicContact CB-CG1 4.06Å; I799-L803 HydrophobicContact CG2-CB 3.58Å; I799-Y804 VanDerWaalsContact O-CD1 3.28Å; I799-Y804 WeakPolarHBondContact O-CD1 3.15Å
800	P	86.7	Confident	83.6	Confident	17 Å²	17	47.6 Å²	47.6	11%	0.11	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-69.7	159.2	-178.2	28.5	-36.4	0	0	0	112.6	S311 A802 L803 Y804	S311-P800 WeakPolarHBondContact O-CB 3.32Å; P800-A802 VanDerWaalsContact C-N 3.27Å; P800-A802 PolarHBondContact O-N 3.45Å; P800-A802 VanDerWaalsContact O-N 3.12Å; P800-L803 HydrophobicContact CG-CD1 3.95Å; P800-L803 HydrophobicContact CG-CG 4.27Å; P800-L803 PolarHBondContact O-N 3.12Å; P800-Y804 WeakPolarHBondContact O-CD1 3.28Å
801	K	82.9	Confident	83.6	Confident	120 Å²	120	49.7 Å²	49.7	52%	0.522	27%	0.267	S	S	.	.	H	α-helix	trans	-49.9	-42.4	-172.8	-56	-168	178.4	171.5	0	113.5	L803 Y804 L805	K801-L803 PolarHBondContact O-N 3.22Å; K801-L803 VanDerWaalsContact O-N 3.11Å; K801-Y804 VanDerWaalsContact CA-CE1 3.42Å; K801-Y804 HydrophobicContact CB-CE1 4.17Å; K801-Y804 HydrophobicContact CG-CE1 3.96Å; K801-Y804 PolarHBondContact O-N 3.23Å; K801-L805 VanDerWaalsContact O-CB 3.28Å; K801-L805 WeakPolarHBondContact O-CB 3.42Å; K801-L805 PolarHBondContact O-N 2.68Å
802	A	81.9	Confident	83.8	Confident	35 Å²	35	49 Å²	49	29%	0.289	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-20.2	179.1	0	0	0	0	0	115.4	D312 R733 P800	D312-A802 WeakPolarHBondContact OD1-CB 3.42Å; R733-A802 PolarHBondContact NH1-O 2.74Å; P800-A802 VanDerWaalsContact C-N 3.27Å; P800-A802 PolarHBondContact O-N 3.45Å; P800-A802 VanDerWaalsContact O-N 3.12Å
803	L	83	Confident	84.4	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-104.7	-10.5	-177.7	-63.8	179.5	0	0	0	113.8	V736 I748 L759 I799 P800 K801	V736-L803 HydrophobicContact CG1-CD2 4.47Å; I748-L803 HydrophobicContact CD1-CD1 3.61Å; I748-L803 HydrophobicContact CG2-CD1 3.93Å; I748-L803 HydrophobicContact CG2-CD2 3.91Å; L759-L803 HydrophobicContact CD2-CD2 3.95Å; I799-L803 HydrophobicContact CG2-CB 3.58Å; P800-L803 HydrophobicContact CG-CD1 3.95Å; P800-L803 HydrophobicContact CG-CG 4.27Å; P800-L803 PolarHBondContact O-N 3.12Å; K801-L803 PolarHBondContact O-N 3.22Å; K801-L803 VanDerWaalsContact O-N 3.11Å
804	Y	82	Confident	84.7	Confident	20 Å²	20	50.2 Å²	50.2	8%	0.078	27%	0.272	C	S	.	.	H	α-helix	trans	-118.6	-23.1	177.5	81.6	-111.7	0	0	0	114.7	S732 E781 H783 I799 P800 K801 P806	S732-Y804 VanDerWaalsContact CB-O 3.24Å; S732-Y804 WeakPolarHBondContact CB-O 3.26Å; S732-Y804 WeakPolarHBondContact OG-CA 3.32Å; S732-Y804 WeakPolarHBondContact OG-CB 3.32Å; S732-Y804 PolarHBondContact OG-O 2.82Å; S732-Y804 VanDerWaalsContact OG-O 3.12Å; E781-Y804 PolarHBondContact O-OH 3.18Å; H783-Y804 HydrophobicContact CB-CD1 4.31Å; H783-Y804 HydrophobicContact CB-CG 4.3Å; H783-Y804 AromaticContact CD2-CD1 3.74Å; H783-Y804 AromaticContact CD2-CD2 3.22Å; H783-Y804 WeakPolarHBondContact CD2-CD2 3.35Å; H783-Y804 AromaticContact CD2-CE2 3.8Å; H783-Y804 AromaticContact CD2-CG 3.23Å; H783-Y804 AromaticContact CG-CG 3.87Å; H783-Y804 AromaticContact NE2-CD2 3.4Å; H783-Y804 WeakPolarHBondContact NE2-CD2 3.35Å; H783-Y804 AromaticContact NE2-CG 3.82Å; I799-Y804 VanDerWaalsContact O-CD1 3.28Å; I799-Y804 WeakPolarHBondContact O-CD1 3.15Å; P800-Y804 WeakPolarHBondContact O-CD1 3.28Å; K801-Y804 VanDerWaalsContact CA-CE1 3.42Å; K801-Y804 HydrophobicContact CB-CE1 4.17Å; K801-Y804 HydrophobicContact CG-CE1 3.96Å; K801-Y804 PolarHBondContact O-N 3.23Å; Y804-P806 WeakPolarHBondContact O-CD 3.19Å
805	L	81.3	Confident	84.9	Confident	114 Å²	114	55.3 Å²	55.3	60%	0.597	30%	0.295	S	S	*	.	S	Bend	trans	-90.3	113.1	179.2	-172.2	70.7	0	0	0	110.5	R733 K801	R733-L805 WeakPolarHBondContact CD-O 3.38Å; K801-L805 VanDerWaalsContact O-CB 3.28Å; K801-L805 WeakPolarHBondContact O-CB 3.42Å; K801-L805 PolarHBondContact O-N 2.68Å
806	P	77.6	Confident	85.1	Confident	66 Å²	66	62.1 Å²	62.1	43%	0.429	32%	0.32	S	S	.	.			trans	-72.5	142.6	-176.4	29	-35	0	0	0	112.8	R733 Y804 E810	R733-P806 HydrophobicContact CG-CB 4.23Å; Y804-P806 WeakPolarHBondContact O-CD 3.19Å; P806-E810 WeakPolarHBondContact CA-OE2 3.46Å; P806-E810 HydrophobicContact CB-CB 4.43Å
807	F	73.5	Confident	85.3	Confident	157 Å²	157	64 Å²	64	69%	0.689	33%	0.328	S	S	*	.			trans	-96.8	103.7	-177.2	-171.1	-95.3	0	0	0	112.1	I301 H809 E810	I301-F807 HydrophobicContact CD1-CZ 4.31Å; F807-H809 PolarHBondContact O-N 3.31Å; F807-E810 PolarHBondContact N-OE2 3.08Å
808	G	78.4	Confident	85.4	Confident	66 Å²	66	63.6 Å²	63.6	68%	0.68	33%	0.326	S	S	*	.	S	Bend	trans	61.3	-131.8	176	0	0	0	0	0	113	E810	G808-E810 VanDerWaalsContact C-N 3.25Å; G808-E810 PolarHBondContact O-N 3.39Å; G808-E810 VanDerWaalsContact O-N 3.15Å
809	H	82.4	Confident	85.5	Confident	137 Å²	137	64.2 Å²	64.2	63%	0.634	33%	0.331	S	S	*	.	S	Bend	trans	-87.6	56.1	177.9	-65.3	-59.7	0	0	0	112.3	F807 D811 L812 S813	F807-H809 PolarHBondContact O-N 3.31Å; H809-D811 VanDerWaalsContact C-N 3.29Å; H809-D811 PolarHBondContact O-N 2.86Å; H809-L812 HydrophobicContact CB-CB 4.35Å; H809-L812 HydrophobicContact CB-CD1 4.26Å; H809-L812 PolarHBondContact O-N 2.65Å; H809-S813 WeakPolarHBondContact O-CB 3.28Å; H809-S813 PolarHBondContact O-N 3.34Å; H809-S813 VanDerWaalsContact O-N 3.08Å; H809-S813 PolarHBondContact O-OG 3.39Å
810	E	85.9	Confident	85.6	Confident	5 Å²	5	68.9 Å²	68.9	2%	0.023	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-35.4	-177.8	-157.3	-175.6	136.8	0	0	112.1	R733 P734 A735 L752 P806 F807 G808 S813 M814	R733-E810 IonicContact CZ-OE1 3.63Å; R733-E810 IonicContact CZ-OE2 3.33Å; R733-E810 IonicContact NE-OE1 3.21Å; R733-E810 PolarHBondContact NE-OE1 3Å; R733-E810 IonicContact NE-OE2 2.88Å; R733-E810 PolarHBondContact NE-OE2 3.35Å; R733-E810 VanDerWaalsContact NH2-CD 3.27Å; R733-E810 IonicContact NH2-OE1 3.61Å; R733-E810 PolarHBondContact NH2-OE1 2.74Å; R733-E810 IonicContact NH2-OE2 2.83Å; R733-E810 PolarHBondContact NH2-OE2 3.47Å; P734-E810 WeakPolarHBondContact CD-OE1 3.36Å; P734-E810 HydrophobicContact CG-CB 4.01Å; P734-E810 HydrophobicContact CG-CG 3.91Å; A735-E810 VanDerWaalsContact CB-OE1 3.23Å; A735-E810 WeakPolarHBondContact CB-OE1 3.34Å; A735-E810 PolarHBondContact N-OE1 2.91Å; L752-E810 HydrophobicContact CD1-CG 3.48Å; L752-E810 VanDerWaalsContact CD1-CG 3.48Å; P806-E810 WeakPolarHBondContact CA-OE2 3.46Å; P806-E810 HydrophobicContact CB-CB 4.43Å; F807-E810 PolarHBondContact N-OE2 3.08Å; G808-E810 VanDerWaalsContact C-N 3.25Å; G808-E810 PolarHBondContact O-N 3.39Å; G808-E810 VanDerWaalsContact O-N 3.15Å; E810-S813 PolarHBondContact O-N 3.12Å; E810-M814 WeakPolarHBondContact O-CB 3.48Å; E810-M814 PolarHBondContact O-N 2.91Å
811	D	85.9	Confident	85.7	Confident	77 Å²	77	70.5 Å²	70.5	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-64.1	-48.8	178.2	68.2	-43.2	0	0	0	112.4	F690 H809 S813 K815	F690-D811 WeakPolarHBondContact CZ-O 3.32Å; H809-D811 VanDerWaalsContact C-N 3.29Å; H809-D811 PolarHBondContact O-N 2.86Å; D811-S813 VanDerWaalsContact C-N 3.27Å; D811-S813 PolarHBondContact O-N 3.11Å; D811-K815 WeakPolarHBondContact O-CB 3.35Å; D811-K815 PolarHBondContact O-N 3.02Å
812	L	88.8	Confident	86	Confident	84 Å²	84	65.1 Å²	65.1	44%	0.44	34%	0.339	S	S	.	.	H	α-helix	trans	-67.7	-31.2	176.3	-63.7	178.4	0	0	0	111.5	H809 R816	H809-L812 HydrophobicContact CB-CB 4.35Å; H809-L812 HydrophobicContact CB-CD1 4.26Å; H809-L812 PolarHBondContact O-N 2.65Å; L812-R816 WeakPolarHBondContact O-CB 3.36Å; L812-R816 VanDerWaalsContact O-CG 3.25Å; L812-R816 WeakPolarHBondContact O-CG 3.4Å; L812-R816 PolarHBondContact O-N 2.82Å; L812-R816 VanDerWaalsContact O-N 3.08Å
813	S	89.3	Confident	86.4	Confident	49 Å²	49	69.4 Å²	69.4	34%	0.343	35%	0.353	S	S	.	.	H	α-helix	trans	-71.3	-49	177.6	-57	0	0	0	0	111.5	H809 E810 D811 K815 R816 Y817	H809-S813 WeakPolarHBondContact O-CB 3.28Å; H809-S813 PolarHBondContact O-N 3.34Å; H809-S813 VanDerWaalsContact O-N 3.08Å; H809-S813 PolarHBondContact O-OG 3.39Å; E810-S813 PolarHBondContact O-N 3.12Å; D811-S813 VanDerWaalsContact C-N 3.27Å; D811-S813 PolarHBondContact O-N 3.11Å; S813-K815 VanDerWaalsContact C-N 3.33Å; S813-K815 PolarHBondContact O-N 3.39Å; S813-R816 PolarHBondContact O-N 2.98Å; S813-Y817 PolarHBondContact O-N 2.83Å
814	M	91.3	Very high	86.6	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.6	-39.2	173.6	-80.9	-59.4	-63.5	0	0	112.5	F690 P734 A735 M751 L752 E810 Y817 F818	F690-M814 HydrophobicContact CE2-CB 3.8Å; F690-M814 HydrophobicContact CZ-CB 3.71Å; P734-M814 HydrophobicContact CB-CG 4.4Å; P734-M814 HydrophobicContact CG-CG 4.45Å; A735-M814 HydrophobicContact CB-CE 4.47Å; A735-M814 HydrophobicContact CB-CG 3.75Å; A735-M814 HydrophobicContact CB-SD 3.56Å; A735-M814 VanDerWaalsContact CB-SD 3.56Å; M751-M814 HydrophobicContact CB-CE 3.86Å; M751-M814 HydrophobicContact CB-SD 3.9Å; M751-M814 HydrophobicContact CG-CE 4.3Å; L752-M814 HydrophobicContact CD1-CG 4.07Å; L752-M814 HydrophobicContact CD1-SD 4.29Å; L752-M814 HydrophobicContact CD2-CG 4.19Å; L752-M814 HydrophobicContact CD2-SD 3.64Å; L752-M814 HydrophobicContact CG-CG 4.06Å; L752-M814 HydrophobicContact CG-SD 3.61Å; E810-M814 WeakPolarHBondContact O-CB 3.48Å; E810-M814 PolarHBondContact O-N 2.91Å; M814-Y817 HydrophobicContact CE-CD1 4.4Å; M814-Y817 WeakPolarHBondContact O-CB 3.42Å; M814-Y817 PolarHBondContact O-N 3.3Å; M814-F818 HydrophobicContact CE-CD2 4.36Å; M814-F818 HydrophobicContact CE-CE1 4.01Å; M814-F818 HydrophobicContact CE-CE2 3.47Å; M814-F818 VanDerWaalsContact CE-CE2 3.47Å; M814-F818 HydrophobicContact CE-CZ 3.26Å; M814-F818 VanDerWaalsContact O-CD2 3.25Å; M814-F818 WeakPolarHBondContact O-CD2 3.4Å; M814-F818 PolarHBondContact O-N 2.92Å
815	K	90.7	Very high	86.9	Confident	109 Å²	109	72.5 Å²	72.5	47%	0.474	38%	0.376	S	S	.	.	H	α-helix	trans	-61.2	-47.7	175.1	-175.2	173	179.9	176.8	0	111.7	F690 D811 S813 Y817 F818 D819	F690-K815 HydrophobicContact CE1-CB 4.03Å; D811-K815 WeakPolarHBondContact O-CB 3.35Å; D811-K815 PolarHBondContact O-N 3.02Å; S813-K815 VanDerWaalsContact C-N 3.33Å; S813-K815 PolarHBondContact O-N 3.39Å; K815-Y817 VanDerWaalsContact C-N 3.29Å; K815-Y817 PolarHBondContact O-N 3.45Å; K815-F818 PolarHBondContact O-N 2.82Å; K815-D819 PolarHBondContact O-N 2.83Å
816	R	90.9	Very high	87.1	Confident	173 Å²	173	72 Å²	72	65%	0.653	37%	0.369	S	S	*	.	H	α-helix	trans	-59.1	-39.7	175.4	-75.5	169.7	179.9	179.5	1.6	112	L812 S813 D819 L820	L812-R816 WeakPolarHBondContact O-CB 3.36Å; L812-R816 VanDerWaalsContact O-CG 3.25Å; L812-R816 WeakPolarHBondContact O-CG 3.4Å; L812-R816 PolarHBondContact O-N 2.82Å; L812-R816 VanDerWaalsContact O-N 3.08Å; S813-R816 PolarHBondContact O-N 2.98Å; R816-D819 PolarHBondContact O-N 3.36Å; R816-L820 WeakPolarHBondContact O-CB 3.47Å; R816-L820 VanDerWaalsContact O-CG 3.29Å; R816-L820 WeakPolarHBondContact O-CG 3.35Å; R816-L820 PolarHBondContact O-N 2.9Å
817	Y	91.4	Very high	87.6	Confident	40 Å²	40	72.9 Å²	72.9	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-50.8	174.2	176.5	-111.3	0	0	0	111.4	V715 M751 S813 M814 K815 D819 L820 E821	V715-Y817 HydrophobicContact CG2-CE1 4.23Å; V715-Y817 WeakPolarHBondContact CG2-OH 3.23Å; M751-Y817 HydrophobicContact CE-CE1 3.69Å; S813-Y817 PolarHBondContact O-N 2.83Å; M814-Y817 HydrophobicContact CE-CD1 4.4Å; M814-Y817 WeakPolarHBondContact O-CB 3.42Å; M814-Y817 PolarHBondContact O-N 3.3Å; K815-Y817 VanDerWaalsContact C-N 3.29Å; K815-Y817 PolarHBondContact O-N 3.45Å; Y817-D819 VanDerWaalsContact C-N 3.29Å; Y817-D819 PolarHBondContact O-N 3.33Å; Y817-L820 PolarHBondContact O-N 2.86Å; Y817-E821 WeakPolarHBondContact O-CB 3.44Å; Y817-E821 PolarHBondContact O-N 3Å; Y817-E821 PolarHBondContact OH-OE1 2.81Å
818	F	92.4	Very high	88.1	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.009	36%	0.361	C	S	.	.	H	α-helix	trans	-68.3	-21.2	176.7	-63.5	-47.5	0	0	0	115	F690 I693 I704 K706 L714 M814 K815 A822	F690-F818 HydrophobicContact CD2-CD2 4.34Å; F690-F818 AromaticContact CD2-CE2 3.89Å; F690-F818 HydrophobicContact CD2-CE2 3.89Å; F690-F818 HydrophobicContact CE2-CD2 4.42Å; F690-F818 AromaticContact CE2-CE2 3.97Å; F690-F818 HydrophobicContact CE2-CE2 3.97Å; I693-F818 HydrophobicContact CB-CE2 4.48Å; I693-F818 HydrophobicContact CD1-CB 3.99Å; I693-F818 HydrophobicContact CD1-CD1 4.22Å; I693-F818 HydrophobicContact CD1-CD2 3.7Å; I693-F818 HydrophobicContact CD1-CE2 4.15Å; I693-F818 HydrophobicContact CD1-CG 3.73Å; I693-F818 HydrophobicContact CG1-CD2 3.75Å; I693-F818 HydrophobicContact CG1-CE2 3.86Å; I693-F818 HydrophobicContact CG1-CG 4.31Å; I693-F818 HydrophobicContact CG2-CE1 4.44Å; I693-F818 HydrophobicContact CG2-CE2 4Å; I693-F818 HydrophobicContact CG2-CZ 3.9Å; I704-F818 HydrophobicContact CG2-CE1 3.86Å; I704-F818 HydrophobicContact CG2-CZ 4.26Å; K706-F818 PolarHBondContact NZ-O 2.69Å; K706-F818 VanDerWaalsContact NZ-O 3.1Å; L714-F818 HydrophobicContact CD1-CB 3.99Å; L714-F818 HydrophobicContact CD1-CD1 3.98Å; L714-F818 HydrophobicContact CD1-CG 4.37Å; L714-F818 WeakPolarHBondContact CD1-O 3.45Å; M814-F818 HydrophobicContact CE-CD2 4.36Å; M814-F818 HydrophobicContact CE-CE1 4.01Å; M814-F818 HydrophobicContact CE-CE2 3.47Å; M814-F818 VanDerWaalsContact CE-CE2 3.47Å; M814-F818 HydrophobicContact CE-CZ 3.26Å; M814-F818 VanDerWaalsContact O-CD2 3.25Å; M814-F818 WeakPolarHBondContact O-CD2 3.4Å; M814-F818 PolarHBondContact O-N 2.92Å; K815-F818 PolarHBondContact O-N 2.82Å; F818-A822 WeakPolarHBondContact O-CB 3.29Å
819	D	90.5	Very high	88.4	Confident	68 Å²	68	71 Å²	71	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-74.7	-47.2	170.3	-72	-32.8	0	0	0	110.4	K706 K815 R816 Y817 A822 E823	K706-D819 IonicContact NZ-OD1 3.26Å; K706-D819 PolarHBondContact NZ-OD1 2.98Å; K815-D819 PolarHBondContact O-N 2.83Å; R816-D819 PolarHBondContact O-N 3.36Å; Y817-D819 VanDerWaalsContact C-N 3.29Å; Y817-D819 PolarHBondContact O-N 3.33Å; D819-A822 PolarHBondContact O-N 3.36Å; D819-E823 PolarHBondContact O-N 3.13Å
820	L	90.6	Very high	88.5	Confident	103 Å²	103	70.2 Å²	70.2	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-64.5	-39.2	177.4	-71.8	168.6	0	0	0	113.2	R816 Y817 A822 E823 S824	R816-L820 WeakPolarHBondContact O-CB 3.47Å; R816-L820 VanDerWaalsContact O-CG 3.29Å; R816-L820 WeakPolarHBondContact O-CG 3.35Å; R816-L820 PolarHBondContact O-N 2.9Å; Y817-L820 PolarHBondContact O-N 2.86Å; L820-A822 VanDerWaalsContact C-N 3.31Å; L820-A822 PolarHBondContact O-N 3.4Å; L820-E823 PolarHBondContact O-N 2.95Å; L820-S824 WeakPolarHBondContact O-CB 3.26Å; L820-S824 PolarHBondContact O-N 3.19Å; L820-S824 PolarHBondContact O-OG 2.81Å
821	E	89.4	Confident	88.4	Confident	51 Å²	51	77.3 Å²	77.3	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-67.8	-34.5	178.1	-142.9	76.8	147.7	0	0	111.1	L714 V715 Y817 E823 S824 L825	L714-E821 HydrophobicContact CB-CB 4.41Å; L714-E821 HydrophobicContact CB-CG 4.41Å; L714-E821 WeakPolarHBondContact O-CG 3.31Å; V715-E821 HydrophobicContact CG2-CG 4.17Å; Y817-E821 WeakPolarHBondContact O-CB 3.44Å; Y817-E821 PolarHBondContact O-N 3Å; Y817-E821 PolarHBondContact OH-OE1 2.81Å; E821-E823 VanDerWaalsContact C-N 3.34Å; E821-E823 PolarHBondContact O-N 3.36Å; E821-S824 PolarHBondContact O-N 2.98Å; E821-L825 WeakPolarHBondContact O-CB 3.43Å; E821-L825 PolarHBondContact O-N 3.05Å
822	A	89.6	Confident	88.2	Confident	6 Å²	6	77.7 Å²	77.7	5%	0.05	36%	0.363	C	S	.	.	H	α-helix	trans	-71.2	-25	175.6	0	0	0	0	0	113.7	V709 L714 F818 D819 L820 K826	V709-A822 HydrophobicContact CG2-CB 4.09Å; L714-A822 HydrophobicContact CD2-CB 3.7Å; F818-A822 WeakPolarHBondContact O-CB 3.29Å; D819-A822 PolarHBondContact O-N 3.36Å; L820-A822 VanDerWaalsContact C-N 3.31Å; L820-A822 PolarHBondContact O-N 3.4Å; A822-K826 WeakPolarHBondContact O-CD 3.19Å; A822-K826 WeakPolarHBondContact O-CE 3.39Å; A822-K826 WeakPolarHBondContact O-CG 3.27Å
823	E	89.4	Confident	87.9	Confident	126 Å²	126	78.2 Å²	78.2	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-78.8	-42.9	168.3	-68	-174.6	162.5	0	0	110.9	D819 L820 E821 L825 K826 D827	D819-E823 PolarHBondContact O-N 3.13Å; L820-E823 PolarHBondContact O-N 2.95Å; E821-E823 VanDerWaalsContact C-N 3.34Å; E821-E823 PolarHBondContact O-N 3.36Å; E823-L825 VanDerWaalsContact C-N 3.33Å; E823-L825 PolarHBondContact O-N 3.37Å; E823-K826 WeakPolarHBondContact O-CB 3.29Å; E823-K826 PolarHBondContact O-N 2.93Å; E823-K826 VanDerWaalsContact O-N 3.11Å; E823-D827 PolarHBondContact O-N 3.11Å
824	S	87.6	Confident	87.6	Confident	61 Å²	61	79.4 Å²	79.4	43%	0.427	37%	0.366	S	S	.	.	H	α-helix	trans	-62.1	-36.9	179.3	-61.1	0	0	0	0	112.8	L820 E821 D827 Y828	L820-S824 WeakPolarHBondContact O-CB 3.26Å; L820-S824 PolarHBondContact O-N 3.19Å; L820-S824 PolarHBondContact O-OG 2.81Å; E821-S824 PolarHBondContact O-N 2.98Å; S824-D827 PolarHBondContact O-N 2.88Å; S824-Y828 WeakPolarHBondContact O-CB 3.5Å; S824-Y828 PolarHBondContact O-N 3.16Å
825	L	87.5	Confident	87	Confident	28 Å²	28	88 Å²	88	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-61.7	-43.8	172.5	178.5	62.7	0	0	0	112	V709 D711 L714 E821 E823 Y828 L829	V709-L825 HydrophobicContact CG1-CD2 3.91Å; D711-L825 HydrophobicContact CB-CD2 4.29Å; L714-L825 HydrophobicContact CD2-CD2 4.37Å; E821-L825 WeakPolarHBondContact O-CB 3.43Å; E821-L825 PolarHBondContact O-N 3.05Å; E823-L825 VanDerWaalsContact C-N 3.33Å; E823-L825 PolarHBondContact O-N 3.37Å; L825-Y828 WeakPolarHBondContact O-CB 3.31Å; L825-Y828 PolarHBondContact O-N 3.27Å; L825-L829 HydrophobicContact CD1-CD1 4.03Å; L825-L829 HydrophobicContact CD1-CG 4.3Å; L825-L829 HydrophobicContact CG-CD1 4.06Å; L825-L829 WeakPolarHBondContact O-CG 3.22Å; L825-L829 PolarHBondContact O-N 2.93Å
826	K	86.9	Confident	86.3	Confident	104 Å²	104	84.9 Å²	84.9	45%	0.452	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-44	178.5	-68.2	165	-172.3	160.9	0	111.3	A822 E823 Y828 L829 K830	A822-K826 WeakPolarHBondContact O-CD 3.19Å; A822-K826 WeakPolarHBondContact O-CE 3.39Å; A822-K826 WeakPolarHBondContact O-CG 3.27Å; E823-K826 WeakPolarHBondContact O-CB 3.29Å; E823-K826 PolarHBondContact O-N 2.93Å; E823-K826 VanDerWaalsContact O-N 3.11Å; K826-Y828 VanDerWaalsContact C-N 3.33Å; K826-L829 PolarHBondContact O-N 3.26Å; K826-K830 WeakPolarHBondContact O-CB 3.49Å; K826-K830 PolarHBondContact O-N 2.82Å
827	D	86.3	Confident	86	Confident	85 Å²	85	80.3 Å²	80.3	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-73	-23.3	175.8	-94.1	-11	0	0	0	112.8	E823 S824 K830 R831	E823-D827 PolarHBondContact O-N 3.11Å; S824-D827 PolarHBondContact O-N 2.88Å; D827-K830 IonicContact OD1-NZ 2.93Å; D827-K830 PolarHBondContact OD1-NZ 3.35Å; D827-R831 WeakPolarHBondContact O-CB 3.34Å; D827-R831 VanDerWaalsContact O-CG 3.23Å; D827-R831 WeakPolarHBondContact O-CG 3.49Å; D827-R831 PolarHBondContact O-N 3.42Å; D827-R831 VanDerWaalsContact O-N 3.13Å; D827-R831 PolarHBondContact O-NE 2.87Å
828	Y	84.9	Confident	85.5	Confident	128 Å²	128	83.6 Å²	83.6	50%	0.502	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-54.6	166.5	177.9	-89	0	0	0	111.4	S824 L825 K826 K830 R831 E832	S824-Y828 WeakPolarHBondContact O-CB 3.5Å; S824-Y828 PolarHBondContact O-N 3.16Å; L825-Y828 WeakPolarHBondContact O-CB 3.31Å; L825-Y828 PolarHBondContact O-N 3.27Å; K826-Y828 VanDerWaalsContact C-N 3.33Å; Y828-K830 VanDerWaalsContact C-N 3.29Å; Y828-K830 PolarHBondContact O-N 2.76Å; Y828-R831 VanDerWaalsContact CA-NH2 3.35Å; Y828-R831 CarbonylContact O-C 3.54Å; Y828-R831 WeakPolarHBondContact O-CA 3.4Å; Y828-R831 WeakPolarHBondContact O-CB 3.3Å; Y828-R831 PolarHBondContact O-N 3.27Å; Y828-E832 PolarHBondContact O-N 2.96Å
829	L	84.8	Confident	84.9	Confident	54 Å²	54	88.9 Å²	88.9	28%	0.283	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-35.5	-178.3	-68.9	166.8	0	0	0	112.2	D711 L825 K826 E832 E833	D711-L829 HydrophobicContact CB-CD1 3.64Å; L825-L829 HydrophobicContact CD1-CD1 4.03Å; L825-L829 HydrophobicContact CD1-CG 4.3Å; L825-L829 HydrophobicContact CG-CD1 4.06Å; L825-L829 WeakPolarHBondContact O-CG 3.22Å; L825-L829 PolarHBondContact O-N 2.93Å; K826-L829 PolarHBondContact O-N 3.26Å; L829-E832 PolarHBondContact O-N 3.11Å; L829-E833 WeakPolarHBondContact O-CB 3.32Å; L829-E833 PolarHBondContact O-N 2.9Å
830	K	85.1	Confident	84.2	Confident	121 Å²	121	89.2 Å²	89.2	53%	0.526	41%	0.411	S	S	.	.	H	α-helix	trans	-66.5	-35.5	171.9	-176.8	-179.9	169.5	-164.3	0	112.7	K826 D827 Y828 N834	K826-K830 WeakPolarHBondContact O-CB 3.49Å; K826-K830 PolarHBondContact O-N 2.82Å; D827-K830 IonicContact OD1-NZ 2.93Å; D827-K830 PolarHBondContact OD1-NZ 3.35Å; Y828-K830 VanDerWaalsContact C-N 3.29Å; Y828-K830 PolarHBondContact O-N 2.76Å; K830-N834 WeakPolarHBondContact O-CB 3.44Å; K830-N834 PolarHBondContact O-N 3.42Å; K830-N834 VanDerWaalsContact O-N 3.1Å; K830-N834 PolarHBondContact O-ND2 2.83Å
831	R	82.5	Confident	83.9	Confident	154 Å²	154	90.2 Å²	90.2	58%	0.581	41%	0.413	S	S	*	.	H	α-helix	trans	-67.7	-41.1	170.2	-79.3	174.6	-70	155.7	-4.7	111.4	D827 Y828 N834 W835	D827-R831 WeakPolarHBondContact O-CB 3.34Å; D827-R831 VanDerWaalsContact O-CG 3.23Å; D827-R831 WeakPolarHBondContact O-CG 3.49Å; D827-R831 PolarHBondContact O-N 3.42Å; D827-R831 VanDerWaalsContact O-N 3.13Å; D827-R831 PolarHBondContact O-NE 2.87Å; Y828-R831 VanDerWaalsContact CA-NH2 3.35Å; Y828-R831 CarbonylContact O-C 3.54Å; Y828-R831 WeakPolarHBondContact O-CA 3.4Å; Y828-R831 WeakPolarHBondContact O-CB 3.3Å; Y828-R831 PolarHBondContact O-N 3.27Å; R831-N834 PolarHBondContact O-N 3.3Å; R831-W835 VanDerWaalsContact O-CB 3.29Å; R831-W835 WeakPolarHBondContact O-CB 3.5Å; R831-W835 PolarHBondContact O-N 3.31Å
832	E	81.6	Confident	83.5	Confident	86 Å²	86	92.9 Å²	92.9	40%	0.402	43%	0.426	S	S	.	.	H	α-helix	trans	-64.7	-43.1	175.6	-170.2	-174.6	-164	0	0	111.9	Y828 L829 N834 W835 T836	Y828-E832 PolarHBondContact O-N 2.96Å; L829-E832 PolarHBondContact O-N 3.11Å; E832-N834 VanDerWaalsContact C-N 3.3Å; E832-N834 PolarHBondContact O-N 2.82Å; E832-W835 PolarHBondContact O-N 2.71Å; E832-T836 HydrophobicContact CG-CG2 4.34Å; E832-T836 WeakPolarHBondContact O-CB 3.47Å; E832-T836 WeakPolarHBondContact O-CG2 2.95Å; E832-T836 PolarHBondContact O-N 3.06Å; E832-T836 PolarHBondContact O-OG1 3.26Å
833	E	83.6	Confident	82.9	Confident	95 Å²	95	96.6 Å²	96.6	44%	0.444	44%	0.442	S	S	.	.	H	α-helix	trans	-62.4	-39.7	176.3	-151.7	-146.6	168	0	0	111.1	L829 T836 K837	L829-E833 WeakPolarHBondContact O-CB 3.32Å; L829-E833 PolarHBondContact O-N 2.9Å; E833-T836 PolarHBondContact O-OG1 2.85Å; E833-T836 VanDerWaalsContact O-OG1 3.11Å; E833-K837 WeakPolarHBondContact O-CB 3.35Å; E833-K837 WeakPolarHBondContact O-CD 3.36Å; E833-K837 WeakPolarHBondContact O-CG 3.47Å; E833-K837 PolarHBondContact O-N 3.4Å; E833-K837 WeakPolarHBondContact OE1-CE 3.18Å; E833-K837 IonicContact OE1-NZ 2.65Å; E833-K837 PolarHBondContact OE1-NZ 3.1Å; E833-K837 IonicContact OE2-NZ 3.36Å; E833-K837 PolarHBondContact OE2-NZ 3.01Å
834	N	83.4	Confident	82.4	Confident	74 Å²	74	92.8 Å²	92.8	40%	0.396	42%	0.424	S	S	.	.	H	α-helix	trans	-69.6	-41.7	175	-72.1	-21.4	0	0	0	112.7	K830 R831 E832 K837 Q838	K830-N834 WeakPolarHBondContact O-CB 3.44Å; K830-N834 PolarHBondContact O-N 3.42Å; K830-N834 VanDerWaalsContact O-N 3.1Å; K830-N834 PolarHBondContact O-ND2 2.83Å; R831-N834 PolarHBondContact O-N 3.3Å; E832-N834 VanDerWaalsContact C-N 3.3Å; E832-N834 PolarHBondContact O-N 2.82Å; N834-K837 WeakPolarHBondContact O-CB 3.43Å; N834-K837 PolarHBondContact O-N 2.94Å; N834-Q838 WeakPolarHBondContact O-CB 3.3Å; N834-Q838 WeakPolarHBondContact O-CG 3.37Å; N834-Q838 PolarHBondContact O-N 3.35Å
835	W	76.9	Confident	81.9	Confident	179 Å²	179	94.9 Å²	94.9	68%	0.678	43%	0.429	S	S	*	.	H	α-helix	trans	-64.1	-41.2	176.1	-179.5	-94.6	0	0	0	111.8	R831 E832 Q838 K839	R831-W835 VanDerWaalsContact O-CB 3.29Å; R831-W835 WeakPolarHBondContact O-CB 3.5Å; R831-W835 PolarHBondContact O-N 3.31Å; E832-W835 PolarHBondContact O-N 2.71Å; W835-Q838 PolarHBondContact O-N 2.55Å; W835-K839 VanDerWaalsContact O-CB 3.32Å; W835-K839 WeakPolarHBondContact O-CB 3.08Å; W835-K839 PolarHBondContact O-N 2.84Å
836	T	77.9	Confident	81.6	Confident	44 Å²	44	98.8 Å²	98.8	27%	0.27	45%	0.445	S	S	.	.	H	α-helix	trans	-72.2	-28	176.2	57.3	0	0	0	0	112.8	E832 E833 K840	E832-T836 HydrophobicContact CG-CG2 4.34Å; E832-T836 WeakPolarHBondContact O-CB 3.47Å; E832-T836 WeakPolarHBondContact O-CG2 2.95Å; E832-T836 PolarHBondContact O-N 3.06Å; E832-T836 PolarHBondContact O-OG1 3.26Å; E833-T836 PolarHBondContact O-OG1 2.85Å; E833-T836 VanDerWaalsContact O-OG1 3.11Å; T836-K840 VanDerWaalsContact O-CD 3.26Å; T836-K840 WeakPolarHBondContact O-CD 3.49Å; T836-K840 WeakPolarHBondContact O-CG 3.46Å; T836-K840 PolarHBondContact O-N 3.32Å
837	K	82.9	Confident	81.2	Confident	77 Å²	77	96.2 Å²	96.2	34%	0.335	44%	0.436	S	S	.	.	H	α-helix	trans	-65.6	-54.2	166.1	-73.5	162.1	-171.3	166.4	0	110.9	E833 N834 K839 K840 E841	E833-K837 WeakPolarHBondContact O-CB 3.35Å; E833-K837 WeakPolarHBondContact O-CD 3.36Å; E833-K837 WeakPolarHBondContact O-CG 3.47Å; E833-K837 PolarHBondContact O-N 3.4Å; E833-K837 WeakPolarHBondContact OE1-CE 3.18Å; E833-K837 IonicContact OE1-NZ 2.65Å; E833-K837 PolarHBondContact OE1-NZ 3.1Å; E833-K837 IonicContact OE2-NZ 3.36Å; E833-K837 PolarHBondContact OE2-NZ 3.01Å; N834-K837 WeakPolarHBondContact O-CB 3.43Å; N834-K837 PolarHBondContact O-N 2.94Å; K837-K839 VanDerWaalsContact C-N 3.31Å; K837-K839 PolarHBondContact O-N 3.28Å; K837-K840 WeakPolarHBondContact O-CB 3.37Å; K837-K840 PolarHBondContact O-N 3.35Å; K837-E841 WeakPolarHBondContact O-CG 3.49Å; K837-E841 PolarHBondContact O-N 3.09Å
838	Q	81.6	Confident	80.7	Confident	109 Å²	109	96 Å²	96	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-56.4	-41.7	178.1	-74.4	174.6	-10	0	0	112.4	N834 W835 E841 E842	N834-Q838 WeakPolarHBondContact O-CB 3.3Å; N834-Q838 WeakPolarHBondContact O-CG 3.37Å; N834-Q838 PolarHBondContact O-N 3.35Å; W835-Q838 PolarHBondContact O-N 2.55Å; Q838-E841 PolarHBondContact O-N 3.44Å; Q838-E842 WeakPolarHBondContact O-CB 3.26Å; Q838-E842 PolarHBondContact O-N 3.49Å
839	K	79.4	Confident	80.3	Confident	114 Å²	114	94.7 Å²	94.7	50%	0.496	43%	0.429	S	S	.	.	H	α-helix	trans	-63.9	-40.8	175.7	-176.5	174.5	173.3	179.9	0	112.6	W835 K837 E842 E843	W835-K839 VanDerWaalsContact O-CB 3.32Å; W835-K839 WeakPolarHBondContact O-CB 3.08Å; W835-K839 PolarHBondContact O-N 2.84Å; K837-K839 VanDerWaalsContact C-N 3.31Å; K837-K839 PolarHBondContact O-N 3.28Å; K839-E842 PolarHBondContact O-N 2.72Å; K839-E843 WeakPolarHBondContact CE-OE1 3.19Å; K839-E843 WeakPolarHBondContact O-CB 3.19Å; K839-E843 WeakPolarHBondContact O-CG 3.46Å; K839-E843 PolarHBondContact O-N 3.28Å
840	K	77.1	Confident	79.9	Confident	74 Å²	74	99.3 Å²	99.3	32%	0.322	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-41.5	174.1	-71.8	162.2	-172.2	162.8	0	111.5	T836 K837 E843 E844	T836-K840 VanDerWaalsContact O-CD 3.26Å; T836-K840 WeakPolarHBondContact O-CD 3.49Å; T836-K840 WeakPolarHBondContact O-CG 3.46Å; T836-K840 PolarHBondContact O-N 3.32Å; K837-K840 WeakPolarHBondContact O-CB 3.37Å; K837-K840 PolarHBondContact O-N 3.35Å; K840-E843 PolarHBondContact O-N 3.3Å; K840-E844 WeakPolarHBondContact O-CB 3.34Å; K840-E844 PolarHBondContact O-N 2.91Å
841	E	82.6	Confident	79.2	Confident	124 Å²	124	95.4 Å²	95.4	58%	0.579	43%	0.431	S	S	*	.	H	α-helix	trans	-64.4	-43.3	175.8	-71.3	169.9	-169.1	0	0	111.6	K837 Q838 E844 M845	K837-E841 WeakPolarHBondContact O-CG 3.49Å; K837-E841 PolarHBondContact O-N 3.09Å; Q838-E841 PolarHBondContact O-N 3.44Å; E841-E844 PolarHBondContact O-N 3.36Å; E841-M845 VanDerWaalsContact O-CB 3.28Å; E841-M845 WeakPolarHBondContact O-CB 3.32Å; E841-M845 WeakPolarHBondContact O-CG 3.46Å; E841-M845 PolarHBondContact O-N 3.23Å
842	E	81.4	Confident	78.9	Confident	108 Å²	108	92.6 Å²	92.6	51%	0.505	43%	0.431	S	S	.	.	H	α-helix	trans	-60	-44.4	171.6	-85.2	-162.3	-165.3	0	0	112.3	Q838 K839 M845 K846	Q838-E842 WeakPolarHBondContact O-CB 3.26Å; Q838-E842 PolarHBondContact O-N 3.49Å; K839-E842 PolarHBondContact O-N 2.72Å; E842-M845 PolarHBondContact O-N 3.06Å; E842-K846 VanDerWaalsContact O-CB 3.26Å; E842-K846 WeakPolarHBondContact O-CB 3.39Å; E842-K846 WeakPolarHBondContact O-CD 3.33Å; E842-K846 WeakPolarHBondContact O-CG 3.16Å; E842-K846 PolarHBondContact O-N 2.89Å; E842-K846 IonicContact OE2-NZ 3.03Å; E842-K846 PolarHBondContact OE2-NZ 2.9Å
843	E	78.5	Confident	78.5	Confident	84 Å²	84	96.2 Å²	96.2	39%	0.393	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-41.9	179.3	-76.3	173.4	-169.4	0	0	111.4	K839 K840 K846 L847	K839-E843 WeakPolarHBondContact CE-OE1 3.19Å; K839-E843 WeakPolarHBondContact O-CB 3.19Å; K839-E843 WeakPolarHBondContact O-CG 3.46Å; K839-E843 PolarHBondContact O-N 3.28Å; K840-E843 PolarHBondContact O-N 3.3Å; E843-K846 PolarHBondContact O-N 2.8Å; E843-L847 VanDerWaalsContact O-CB 3.32Å; E843-L847 WeakPolarHBondContact O-CB 3.41Å; E843-L847 PolarHBondContact O-N 3.31Å
844	E	77.3	Confident	77.7	Confident	45 Å²	45	95.9 Å²	95.9	21%	0.21	44%	0.439	C	S	.	.	H	α-helix	trans	-63.8	-40.4	171.9	-175.2	173.4	153.6	0	0	111.6	K840 E841 L847 K848 K883	K840-E844 WeakPolarHBondContact O-CB 3.34Å; K840-E844 PolarHBondContact O-N 2.91Å; E841-E844 PolarHBondContact O-N 3.36Å; E844-L847 PolarHBondContact O-N 3.35Å; E844-K848 HydrophobicContact CG-CD 4.27Å; E844-K848 WeakPolarHBondContact O-CG 3.45Å; E844-K848 PolarHBondContact O-N 2.8Å; E844-K848 WeakPolarHBondContact OE1-CE 3.38Å; E844-K848 IonicContact OE1-NZ 3.68Å; E844-K848 PolarHBondContact OE1-NZ 2.95Å; E844-K883 VanDerWaalsContact CD-NZ 3.31Å; E844-K883 VanDerWaalsContact OE1-CE 3.31Å; E844-K883 WeakPolarHBondContact OE1-CE 3.26Å; E844-K883 IonicContact OE1-NZ 2.75Å; E844-K883 PolarHBondContact OE1-NZ 3.46Å; E844-K883 WeakPolarHBondContact OE2-CE 3.23Å; E844-K883 IonicContact OE2-NZ 3.22Å; E844-K883 PolarHBondContact OE2-NZ 3.36Å
845	M	78.3	Confident	77	Confident	105 Å²	105	93.7 Å²	93.7	52%	0.517	43%	0.428	S	S	.	.	H	α-helix	trans	-69.7	-38	177.1	-73.8	-66.7	-79.2	0	0	112.5	E841 E842 L847 K848 Q849	E841-M845 VanDerWaalsContact O-CB 3.28Å; E841-M845 WeakPolarHBondContact O-CB 3.32Å; E841-M845 WeakPolarHBondContact O-CG 3.46Å; E841-M845 PolarHBondContact O-N 3.23Å; E842-M845 PolarHBondContact O-N 3.06Å; M845-L847 VanDerWaalsContact C-N 3.32Å; M845-K848 PolarHBondContact O-N 2.9Å; M845-K848 HydrophobicContact SD-CD 4.15Å; M845-Q849 WeakPolarHBondContact O-CB 3.07Å; M845-Q849 WeakPolarHBondContact O-CG 3.44Å; M845-Q849 PolarHBondContact O-N 3.43Å
846	K	81.4	Confident	76.6	Confident	111 Å²	111	93.6 Å²	93.6	48%	0.483	43%	0.427	S	S	.	.	H	α-helix	trans	-64.1	-37.6	172	-74.8	159.8	-178.6	165.3	0	110.9	E842 E843 K850	E842-K846 VanDerWaalsContact O-CB 3.26Å; E842-K846 WeakPolarHBondContact O-CB 3.39Å; E842-K846 WeakPolarHBondContact O-CD 3.33Å; E842-K846 WeakPolarHBondContact O-CG 3.16Å; E842-K846 PolarHBondContact O-N 2.89Å; E842-K846 IonicContact OE2-NZ 3.03Å; E842-K846 PolarHBondContact OE2-NZ 2.9Å; E843-K846 PolarHBondContact O-N 2.8Å; K846-K850 WeakPolarHBondContact O-CG 3.47Å; K846-K850 PolarHBondContact O-N 2.87Å; K846-K850 VanDerWaalsContact O-N 3.08Å
847	L	76.9	Confident	76.1	Confident	50 Å²	50	95.2 Å²	95.2	26%	0.262	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-46.6	174.6	-171.8	63	0	0	0	111.7	E843 E844 M845 Q849 K850 M851 F875 L879 F882	E843-L847 VanDerWaalsContact O-CB 3.32Å; E843-L847 WeakPolarHBondContact O-CB 3.41Å; E843-L847 PolarHBondContact O-N 3.31Å; E844-L847 PolarHBondContact O-N 3.35Å; M845-L847 VanDerWaalsContact C-N 3.32Å; L847-Q849 PolarHBondContact O-N 2.96Å; L847-K850 WeakPolarHBondContact O-CB 3.15Å; L847-K850 PolarHBondContact O-N 2.76Å; L847-M851 PolarHBondContact O-N 2.9Å; L847-F875 HydrophobicContact CD1-CE2 4.48Å; L847-F875 HydrophobicContact CD1-CZ 4.37Å; L847-F875 HydrophobicContact CG-CZ 4.04Å; L847-L879 HydrophobicContact CD2-CD1 4.09Å; L847-L879 HydrophobicContact CD2-CG 4.46Å; L847-F882 HydrophobicContact CD2-CD1 3.87Å; L847-F882 HydrophobicContact CD2-CE1 4.02Å
848	K	76.4	Confident	75.2	Confident	81 Å²	81	92.4 Å²	92.4	35%	0.352	42%	0.423	S	S	.	.	H	α-helix	trans	-60.5	-41.1	172.9	-72.9	169.3	-177.7	167	0	112.6	E844 M845 K850 M851 V852	E844-K848 HydrophobicContact CG-CD 4.27Å; E844-K848 WeakPolarHBondContact O-CG 3.45Å; E844-K848 PolarHBondContact O-N 2.8Å; E844-K848 WeakPolarHBondContact OE1-CE 3.38Å; E844-K848 IonicContact OE1-NZ 3.68Å; E844-K848 PolarHBondContact OE1-NZ 2.95Å; M845-K848 PolarHBondContact O-N 2.9Å; M845-K848 HydrophobicContact SD-CD 4.15Å; K848-K850 VanDerWaalsContact C-N 3.34Å; K848-K850 PolarHBondContact O-N 3.35Å; K848-M851 WeakPolarHBondContact O-CB 3.2Å; K848-M851 PolarHBondContact O-N 3.33Å; K848-V852 WeakPolarHBondContact O-CG2 3.32Å; K848-V852 PolarHBondContact O-N 3.44Å
849	Q	77.7	Confident	74.3	Confident	99 Å²	99	91.7 Å²	91.7	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-64.6	-36.2	175.1	-77	-169.3	26.3	0	0	112.7	M845 L847 R853	M845-Q849 WeakPolarHBondContact O-CB 3.07Å; M845-Q849 WeakPolarHBondContact O-CG 3.44Å; M845-Q849 PolarHBondContact O-N 3.43Å; L847-Q849 PolarHBondContact O-N 2.96Å; Q849-R853 VanDerWaalsContact O-CG 3.25Å; Q849-R853 WeakPolarHBondContact O-CG 3.49Å; Q849-R853 PolarHBondContact O-N 2.77Å; Q849-R853 VanDerWaalsContact O-N 3.08Å
850	K	76.1	Confident	73.7	Confident	151 Å²	151	94.1 Å²	94.1	66%	0.657	43%	0.433	S	S	*	.	H	α-helix	trans	-62.7	-44.7	172.2	-75.1	174.7	178.1	-179.4	0	111.2	K846 L847 K848 R853 H854	K846-K850 WeakPolarHBondContact O-CG 3.47Å; K846-K850 PolarHBondContact O-N 2.87Å; K846-K850 VanDerWaalsContact O-N 3.08Å; L847-K850 WeakPolarHBondContact O-CB 3.15Å; L847-K850 PolarHBondContact O-N 2.76Å; K848-K850 VanDerWaalsContact C-N 3.34Å; K848-K850 PolarHBondContact O-N 3.35Å; K850-R853 PolarHBondContact O-N 3.45Å; K850-H854 WeakPolarHBondContact O-CB 3.26Å; K850-H854 PolarHBondContact O-N 2.88Å
851	M	69.9	Low	73.2	Confident	40 Å²	40	96.2 Å²	96.2	20%	0.197	44%	0.444	C	S	.	.	H	α-helix	trans	-56.4	-53.5	174.6	-174.1	-156.6	-175.7	0	0	111.8	L847 K848 R853 H854 V855 N872 F875	L847-M851 PolarHBondContact O-N 2.9Å; K848-M851 WeakPolarHBondContact O-CB 3.2Å; K848-M851 PolarHBondContact O-N 3.33Å; M851-R853 VanDerWaalsContact C-N 3.28Å; M851-R853 PolarHBondContact O-N 3.34Å; M851-H854 PolarHBondContact O-N 2.75Å; M851-V855 HydrophobicContact CG-CG2 4.43Å; M851-V855 WeakPolarHBondContact O-CG2 3.42Å; M851-V855 PolarHBondContact O-N 2.76Å; M851-N872 HydrophobicContact CE-CB 4.43Å; M851-N872 VanDerWaalsContact CE-OD1 3.26Å; M851-N872 WeakPolarHBondContact CE-OD1 3.19Å; M851-F875 HydrophobicContact CB-CD1 4.37Å; M851-F875 HydrophobicContact CB-CE1 3.75Å; M851-F875 HydrophobicContact CB-CE2 4.21Å; M851-F875 HydrophobicContact CB-CZ 3.65Å; M851-F875 HydrophobicContact CE-CD1 3.69Å; M851-F875 HydrophobicContact CE-CE1 4.25Å; M851-F875 HydrophobicContact CE-CG 4.34Å; M851-F875 HydrophobicContact CG-CD1 3.77Å; M851-F875 HydrophobicContact CG-CE1 3.63Å; M851-F875 HydrophobicContact CG-CE2 4.4Å; M851-F875 HydrophobicContact CG-CG 4.2Å; M851-F875 HydrophobicContact CG-CZ 3.97Å; M851-F875 HydrophobicContact SD-CD1 3.48Å; M851-F875 WeakPolarHBondContact SD-CD1 3.38Å; M851-F875 HydrophobicContact SD-CE1 3.4Å; M851-F875 WeakPolarHBondContact SD-CE1 3.44Å; M851-F875 HydrophobicContact SD-CG 4.4Å; M851-F875 HydrophobicContact SD-CZ 4.28Å
852	V	76	Confident	72	Confident	95 Å²	95	93.6 Å²	93.6	58%	0.576	45%	0.451	S	S	*	.	H	α-helix	trans	-60.6	-36.6	-178.9	172.5	0	0	0	0	112.1	K848 R856	K848-V852 WeakPolarHBondContact O-CG2 3.32Å; K848-V852 PolarHBondContact O-N 3.44Å; V852-R856 WeakPolarHBondContact O-CB 3.28Å; V852-R856 PolarHBondContact O-N 3.45Å; V852-R856 VanDerWaalsContact O-N 3.08Å
853	R	72.4	Confident	70.9	Confident	162 Å²	162	92.4 Å²	92.4	61%	0.611	44%	0.444	S	S	*	.	H	α-helix	trans	-67.4	-39.8	173.1	-69.5	173.8	-160.3	-165.9	7.8	112.1	Q849 K850 M851 N857	Q849-R853 VanDerWaalsContact O-CG 3.25Å; Q849-R853 WeakPolarHBondContact O-CG 3.49Å; Q849-R853 PolarHBondContact O-N 2.77Å; Q849-R853 VanDerWaalsContact O-N 3.08Å; K850-R853 PolarHBondContact O-N 3.45Å; M851-R853 VanDerWaalsContact C-N 3.28Å; M851-R853 PolarHBondContact O-N 3.34Å; R853-N857 PolarHBondContact O-N 3.36Å; R853-N857 VanDerWaalsContact O-N 3.15Å; R853-N857 PolarHBondContact O-OD1 3.01Å
854	H	67.3	Low	70.2	Confident	87 Å²	87	95.6 Å²	95.6	40%	0.403	46%	0.459	S	S	.	.	H	α-helix	trans	-69.4	-47.6	-179.9	-164.9	75.4	0	0	0	112	K850 M851 R856 N857 L858 F871	K850-H854 WeakPolarHBondContact O-CB 3.26Å; K850-H854 PolarHBondContact O-N 2.88Å; M851-H854 PolarHBondContact O-N 2.75Å; H854-R856 VanDerWaalsContact C-N 3.32Å; H854-R856 PolarHBondContact O-N 3.43Å; H854-N857 WeakPolarHBondContact O-CA 3.41Å; H854-N857 WeakPolarHBondContact O-CB 3.27Å; H854-N857 PolarHBondContact O-N 2.84Å; H854-L858 PolarHBondContact O-N 3.42Å; H854-F871 AromaticContact CD2-CE1 3.92Å; H854-F871 AromaticContact CD2-CE2 3.77Å; H854-F871 AromaticContact CD2-CZ 3.44Å; H854-F871 VanDerWaalsContact CD2-CZ 3.44Å; H854-F871 WeakPolarHBondContact CD2-CZ 3.25Å; H854-F871 AromaticContact NE2-CE2 3.98Å
855	V	69	Low	69.4	Low	28 Å²	28	99.1 Å²	99.1	17%	0.17	48%	0.479	C	S	.	.	H	α-helix	trans	-58	-44.8	173.5	175.9	0	0	0	0	110.6	M851 N857 L858 N859 I868 F871	M851-V855 HydrophobicContact CG-CG2 4.43Å; M851-V855 WeakPolarHBondContact O-CG2 3.42Å; M851-V855 PolarHBondContact O-N 2.76Å; V855-N857 PolarHBondContact O-N 2.75Å; V855-N857 VanDerWaalsContact O-N 3.14Å; V855-L858 PolarHBondContact O-N 3.49Å; V855-L858 VanDerWaalsContact O-N 3.15Å; V855-N859 PolarHBondContact O-N 3.36Å; V855-N859 PolarHBondContact O-OD1 2.84Å; V855-I868 HydrophobicContact CG1-CG2 4.18Å; V855-F871 HydrophobicContact CG2-CD1 4.31Å; V855-F871 HydrophobicContact CG2-CE1 4.32Å
856	R	68.1	Low	68.5	Low	177 Å²	177	97.3 Å²	97.3	67%	0.668	48%	0.481	S	S	*	.	H	α-helix	trans	-60.9	-22.8	174.6	178.3	176	-98	-176.3	-5.2	113.8	V852 H854 K860	V852-R856 WeakPolarHBondContact O-CB 3.28Å; V852-R856 PolarHBondContact O-N 3.45Å; V852-R856 VanDerWaalsContact O-N 3.08Å; H854-R856 VanDerWaalsContact C-N 3.32Å; H854-R856 PolarHBondContact O-N 3.43Å; R856-K860 WeakPolarHBondContact O-CG 3.32Å
857	N	66.9	Low	67.6	Low	78 Å²	78	97.1 Å²	97.1	42%	0.417	48%	0.482	S	S	.	.	H	α-helix	trans	-82.9	-44.3	172.4	-71.7	-3.9	0	0	0	111.5	R853 H854 V855 N859 K860 E861	R853-N857 PolarHBondContact O-N 3.36Å; R853-N857 VanDerWaalsContact O-N 3.15Å; R853-N857 PolarHBondContact O-OD1 3.01Å; H854-N857 WeakPolarHBondContact O-CA 3.41Å; H854-N857 WeakPolarHBondContact O-CB 3.27Å; H854-N857 PolarHBondContact O-N 2.84Å; V855-N857 PolarHBondContact O-N 2.75Å; V855-N857 VanDerWaalsContact O-N 3.14Å; N857-N859 VanDerWaalsContact C-N 3.28Å; N857-N859 PolarHBondContact O-N 3.32Å; N857-K860 WeakPolarHBondContact O-CA 3.37Å; N857-K860 WeakPolarHBondContact O-CB 3.46Å; N857-K860 PolarHBondContact O-N 2.92Å; N857-E861 WeakPolarHBondContact O-CG 3.47Å; N857-E861 PolarHBondContact O-N 2.85Å
858	L	65.1	Low	67	Low	18 Å²	18	95.4 Å²	95.4	9%	0.094	47%	0.472	C	S	.	.	H	α-helix	trans	-56.4	-42.1	174.8	-64.1	172.3	0	0	0	111.7	H854 V855 K860 E861 G862 K863 F871	H854-L858 PolarHBondContact O-N 3.42Å; V855-L858 PolarHBondContact O-N 3.49Å; V855-L858 VanDerWaalsContact O-N 3.15Å; L858-K860 PolarHBondContact O-N 3.43Å; L858-E861 PolarHBondContact O-N 3.47Å; L858-E861 VanDerWaalsContact O-N 3.09Å; L858-G862 PolarHBondContact O-N 3.46Å; L858-K863 HydrophobicContact CD2-CD 3.74Å; L858-F871 HydrophobicContact CD1-CG 4.41Å
859	N	63.6	Low	66.5	Low	95 Å²	95	96 Å²	96	51%	0.508	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.9	174.9	-67.8	41.2	0	0	0	113.7	V855 N857 I868	V855-N859 PolarHBondContact O-N 3.36Å; V855-N859 PolarHBondContact O-OD1 2.84Å; N857-N859 VanDerWaalsContact C-N 3.28Å; N857-N859 PolarHBondContact O-N 3.32Å; N859-I868 VanDerWaalsContact OD1-CD1 3.32Å; N859-I868 WeakPolarHBondContact OD1-CD1 3.33Å
860	K	64.9	Low	66	Low	165 Å²	165	96.4 Å²	96.4	72%	0.717	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-23.5	172	-74.9	174.7	173.8	-172.9	0	112.8	R856 N857 L858	R856-K860 WeakPolarHBondContact O-CG 3.32Å; N857-K860 WeakPolarHBondContact O-CA 3.37Å; N857-K860 WeakPolarHBondContact O-CB 3.46Å; N857-K860 PolarHBondContact O-N 2.92Å; L858-K860 PolarHBondContact O-N 3.43Å
861	E	66.6	Low	65.8	Low	118 Å²	118	92.3 Å²	92.3	55%	0.551	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.6	176.2	-70	168.2	-164	0	0	112.5	N857 L858 K863	N857-E861 WeakPolarHBondContact O-CG 3.47Å; N857-E861 PolarHBondContact O-N 2.85Å; L858-E861 PolarHBondContact O-N 3.47Å; L858-E861 VanDerWaalsContact O-N 3.09Å; E861-K863 HydrophobicContact CB-CD 4.39Å; E861-K863 WeakPolarHBondContact OE2-CE 3.12Å; E861-K863 IonicContact OE2-NZ 2.68Å; E861-K863 PolarHBondContact OE2-NZ 3.42Å
862	G	58.1	Low	65.7	Low	69 Å²	69	92.3 Å²	92.3	71%	0.711	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	22.3	173.5	0	0	0	0	0	114.8	L858	L858-G862 PolarHBondContact O-N 3.46Å
863	K	59	Low	65.4	Low	83 Å²	83	92.6 Å²	92.6	36%	0.361	47%	0.466	S	S	.	.			trans	-73.9	152.2	-179.9	-73.4	166.8	171.7	162.7	0	112.4	L858 E861 E867	L858-K863 HydrophobicContact CD2-CD 3.74Å; E861-K863 HydrophobicContact CB-CD 4.39Å; E861-K863 WeakPolarHBondContact OE2-CE 3.12Å; E861-K863 IonicContact OE2-NZ 2.68Å; E861-K863 PolarHBondContact OE2-NZ 3.42Å; K863-E867 WeakPolarHBondContact CD-OE2 2.89Å; K863-E867 WeakPolarHBondContact CG-OE2 3.35Å
864	E	62.8	Low	65.3	Low	150 Å²	150	89 Å²	89	70%	0.701	46%	0.458	S	S	*	.			trans	-68.3	147.1	-176.3	-60.8	-173.9	169	0	0	112.5	A866 E867 I868	E864-A866 PolarHBondContact O-N 2.88Å; E864-E867 PolarHBondContact O-N 3.08Å; E864-I868 PolarHBondContact O-N 2.88Å
865	D	61.5	Low	65.3	Low	120 Å²	120	86.5 Å²	86.5	64%	0.642	45%	0.446	S	S	*	.	H	α-helix	trans	-56.1	-24.5	177.3	-68.7	-50.9	0	0	0	113	N869	D865-N869 WeakPolarHBondContact O-CB 3.34Å; D865-N869 PolarHBondContact O-N 2.77Å; D865-N869 PolarHBondContact O-ND2 3.22Å
866	A	59.7	Low	65.3	Low	67 Å²	67	90.9 Å²	90.9	55%	0.554	46%	0.464	S	S	*	.	H	α-helix	trans	-64.6	-43	174.3	0	0	0	0	0	112.7	E864 N869 L870	E864-A866 PolarHBondContact O-N 2.88Å; A866-N869 PolarHBondContact O-N 3.34Å; A866-L870 WeakPolarHBondContact O-CB 3.06Å; A866-L870 PolarHBondContact O-N 2.75Å
867	E	62.1	Low	65.2	Low	107 Å²	107	88.9 Å²	88.9	50%	0.5	46%	0.463	S	S	.	.	H	α-helix	trans	-67.4	-39.9	176.7	-66.5	-161	142.8	0	0	111.2	K863 E864 L870 F871	K863-E867 WeakPolarHBondContact CD-OE2 2.89Å; K863-E867 WeakPolarHBondContact CG-OE2 3.35Å; E864-E867 PolarHBondContact O-N 3.08Å; E867-L870 PolarHBondContact O-N 2.96Å; E867-F871 WeakPolarHBondContact O-CB 3.45Å; E867-F871 PolarHBondContact O-N 3.42Å
868	I	63	Low	65.1	Low	13 Å²	13	91.4 Å²	91.4	7%	0.067	47%	0.472	C	S	.	.	H	α-helix	trans	-64.2	-43.6	178.9	-64.6	159.7	0	0	0	110.3	V855 N859 E864 F871 N872	V855-I868 HydrophobicContact CG1-CG2 4.18Å; N859-I868 VanDerWaalsContact OD1-CD1 3.32Å; N859-I868 WeakPolarHBondContact OD1-CD1 3.33Å; E864-I868 PolarHBondContact O-N 2.88Å; I868-F871 PolarHBondContact O-N 2.78Å; I868-N872 WeakPolarHBondContact O-CB 3.31Å; I868-N872 PolarHBondContact O-N 3.24Å; I868-N872 PolarHBondContact O-ND2 3.2Å
869	N	66.1	Low	65	Low	93 Å²	93	91.6 Å²	91.6	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-69.2	-35.4	175.8	-76.1	-55.7	0	0	0	113	D865 A866 N872 N873	D865-N869 WeakPolarHBondContact O-CB 3.34Å; D865-N869 PolarHBondContact O-N 2.77Å; D865-N869 PolarHBondContact O-ND2 3.22Å; A866-N869 PolarHBondContact O-N 3.34Å; N869-N872 PolarHBondContact O-N 3.05Å; N869-N873 WeakPolarHBondContact O-CB 3.48Å; N869-N873 PolarHBondContact O-N 3.46Å; N869-N873 PolarHBondContact O-ND2 2.65Å; N869-N873 VanDerWaalsContact O-ND2 3.11Å
870	L	69	Low	65	Low	109 Å²	109	91.6 Å²	91.6	57%	0.571	47%	0.472	S	S	*	.	H	α-helix	trans	-64.8	-45.5	173	-177.8	61.8	0	0	0	111.3	A866 E867 N872 N873 I874	A866-L870 WeakPolarHBondContact O-CB 3.06Å; A866-L870 PolarHBondContact O-N 2.75Å; E867-L870 PolarHBondContact O-N 2.96Å; L870-N872 PolarHBondContact O-N 3.36Å; L870-N873 PolarHBondContact O-N 2.8Å; L870-I874 HydrophobicContact CD1-CD1 4.05Å; L870-I874 HydrophobicContact CD1-CG1 4.43Å; L870-I874 HydrophobicContact CG-CD1 3.93Å; L870-I874 VanDerWaalsContact O-CG1 3.32Å; L870-I874 WeakPolarHBondContact O-CG1 3.21Å; L870-I874 PolarHBondContact O-N 3.2Å
871	F	70.3	Confident	65	Low	64 Å²	64	88.1 Å²	88.1	28%	0.281	47%	0.465	S	S	.	.	H	α-helix	trans	-60.3	-44.5	174.7	180	-92.1	0	0	0	111.8	H854 V855 L858 E867 I868 N873 I874 F875	H854-F871 AromaticContact CD2-CE1 3.92Å; H854-F871 AromaticContact CD2-CE2 3.77Å; H854-F871 AromaticContact CD2-CZ 3.44Å; H854-F871 VanDerWaalsContact CD2-CZ 3.44Å; H854-F871 WeakPolarHBondContact CD2-CZ 3.25Å; H854-F871 AromaticContact NE2-CE2 3.98Å; V855-F871 HydrophobicContact CG2-CD1 4.31Å; V855-F871 HydrophobicContact CG2-CE1 4.32Å; L858-F871 HydrophobicContact CD1-CG 4.41Å; E867-F871 WeakPolarHBondContact O-CB 3.45Å; E867-F871 PolarHBondContact O-N 3.42Å; I868-F871 PolarHBondContact O-N 2.78Å; F871-N873 PolarHBondContact O-N 3.46Å; F871-I874 PolarHBondContact O-N 2.96Å; F871-F875 HydrophobicContact CE1-CB 4.41Å; F871-F875 VanDerWaalsContact O-CB 3.23Å; F871-F875 WeakPolarHBondContact O-CB 3.19Å; F871-F875 PolarHBondContact O-N 3.29Å
872	N	68.8	Low	64.8	Low	41 Å²	41	86.6 Å²	86.6	22%	0.219	46%	0.457	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.4	-71.2	-23.5	0	0	0	111.9	M851 I868 N869 L870 F875 E876	M851-N872 HydrophobicContact CE-CB 4.43Å; M851-N872 VanDerWaalsContact CE-OD1 3.26Å; M851-N872 WeakPolarHBondContact CE-OD1 3.19Å; I868-N872 WeakPolarHBondContact O-CB 3.31Å; I868-N872 PolarHBondContact O-N 3.24Å; I868-N872 PolarHBondContact O-ND2 3.2Å; N869-N872 PolarHBondContact O-N 3.05Å; L870-N872 PolarHBondContact O-N 3.36Å; N872-F875 PolarHBondContact O-N 3.08Å; N872-E876 WeakPolarHBondContact O-CB 3.21Å; N872-E876 WeakPolarHBondContact O-CG 3.26Å; N872-E876 PolarHBondContact O-N 3.44Å
873	N	68.5	Low	64.8	Low	100 Å²	100	87 Å²	87	54%	0.535	44%	0.439	S	S	.	.	H	α-helix	trans	-64.3	-44.2	176	-81.5	-47.3	0	0	0	112.6	N869 L870 F871 F875 E876 Q877	N869-N873 WeakPolarHBondContact O-CB 3.48Å; N869-N873 PolarHBondContact O-N 3.46Å; N869-N873 PolarHBondContact O-ND2 2.65Å; N869-N873 VanDerWaalsContact O-ND2 3.11Å; L870-N873 PolarHBondContact O-N 2.8Å; F871-N873 PolarHBondContact O-N 3.46Å; N873-F875 VanDerWaalsContact C-N 3.29Å; N873-F875 PolarHBondContact O-N 2.8Å; N873-E876 PolarHBondContact O-N 2.79Å; N873-Q877 WeakPolarHBondContact O-CG 3.34Å; N873-Q877 PolarHBondContact O-N 2.82Å
874	I	70.3	Confident	64.6	Low	87 Å²	87	86.2 Å²	86.2	45%	0.446	44%	0.444	S	S	.	.	H	α-helix	trans	-62.7	-39.8	175.5	-68.9	168	0	0	0	110.2	L870 F871 Q877 H878	L870-I874 HydrophobicContact CD1-CD1 4.05Å; L870-I874 HydrophobicContact CD1-CG1 4.43Å; L870-I874 HydrophobicContact CG-CD1 3.93Å; L870-I874 VanDerWaalsContact O-CG1 3.32Å; L870-I874 WeakPolarHBondContact O-CG1 3.21Å; L870-I874 PolarHBondContact O-N 3.2Å; F871-I874 PolarHBondContact O-N 2.96Å; I874-Q877 PolarHBondContact O-N 3.08Å; I874-H878 WeakPolarHBondContact O-CB 3.44Å; I874-H878 PolarHBondContact O-N 2.96Å
875	F	69.1	Low	64.1	Low	35 Å²	35	81.7 Å²	81.7	15%	0.154	43%	0.429	C	S	.	.	H	α-helix	trans	-70.2	-39.9	178.2	-173.2	-92.9	0	0	0	112.7	L847 M851 F871 N872 N873 H878 L879	L847-F875 HydrophobicContact CD1-CE2 4.48Å; L847-F875 HydrophobicContact CD1-CZ 4.37Å; L847-F875 HydrophobicContact CG-CZ 4.04Å; M851-F875 HydrophobicContact CB-CD1 4.37Å; M851-F875 HydrophobicContact CB-CE1 3.75Å; M851-F875 HydrophobicContact CB-CE2 4.21Å; M851-F875 HydrophobicContact CB-CZ 3.65Å; M851-F875 HydrophobicContact CE-CD1 3.69Å; M851-F875 HydrophobicContact CE-CE1 4.25Å; M851-F875 HydrophobicContact CE-CG 4.34Å; M851-F875 HydrophobicContact CG-CD1 3.77Å; M851-F875 HydrophobicContact CG-CE1 3.63Å; M851-F875 HydrophobicContact CG-CE2 4.4Å; M851-F875 HydrophobicContact CG-CG 4.2Å; M851-F875 HydrophobicContact CG-CZ 3.97Å; M851-F875 HydrophobicContact SD-CD1 3.48Å; M851-F875 WeakPolarHBondContact SD-CD1 3.38Å; M851-F875 HydrophobicContact SD-CE1 3.4Å; M851-F875 WeakPolarHBondContact SD-CE1 3.44Å; M851-F875 HydrophobicContact SD-CG 4.4Å; M851-F875 HydrophobicContact SD-CZ 4.28Å; F871-F875 HydrophobicContact CE1-CB 4.41Å; F871-F875 VanDerWaalsContact O-CB 3.23Å; F871-F875 WeakPolarHBondContact O-CB 3.19Å; F871-F875 PolarHBondContact O-N 3.29Å; N872-F875 PolarHBondContact O-N 3.08Å; N873-F875 VanDerWaalsContact C-N 3.29Å; N873-F875 PolarHBondContact O-N 2.8Å; F875-H878 CarbonylContact O-C 3.55Å; F875-H878 PolarHBondContact O-N 3.01Å; F875-L879 HydrophobicContact CD1-CD1 4.41Å; F875-L879 HydrophobicContact CE1-CB 4.48Å; F875-L879 HydrophobicContact CE1-CD1 3.57Å; F875-L879 HydrophobicContact CZ-CD1 4.03Å; F875-L879 VanDerWaalsContact O-CB 3.26Å; F875-L879 WeakPolarHBondContact O-CB 3.4Å; F875-L879 PolarHBondContact O-N 3.45Å
876	E	68.5	Low	63.6	Low	120 Å²	120	78.5 Å²	78.5	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-62.4	-42.3	171.8	-76.5	-116.7	135.6	0	0	111.3	N872 N873 L879 N880	N872-E876 WeakPolarHBondContact O-CB 3.21Å; N872-E876 WeakPolarHBondContact O-CG 3.26Å; N872-E876 PolarHBondContact O-N 3.44Å; N873-E876 PolarHBondContact O-N 2.79Å; E876-L879 PolarHBondContact O-N 3.15Å; E876-N880 VanDerWaalsContact O-CB 3.31Å; E876-N880 WeakPolarHBondContact O-CB 3.42Å; E876-N880 PolarHBondContact O-N 3.4Å; E876-N880 PolarHBondContact O-ND2 2.76Å; E876-N880 VanDerWaalsContact O-ND2 3.11Å
877	Q	65.9	Low	63	Low	135 Å²	135	81.6 Å²	81.6	63%	0.631	42%	0.416	S	S	*	.	H	α-helix	trans	-61	-45.3	171.4	-73.4	-178.2	3.6	0	0	111.2	N873 I874 L879 N880 V881	N873-Q877 WeakPolarHBondContact O-CG 3.34Å; N873-Q877 PolarHBondContact O-N 2.82Å; I874-Q877 PolarHBondContact O-N 3.08Å; Q877-L879 VanDerWaalsContact C-N 3.32Å; Q877-L879 PolarHBondContact O-N 3.14Å; Q877-N880 PolarHBondContact O-N 2.97Å; Q877-V881 WeakPolarHBondContact O-CB 3.46Å; Q877-V881 VanDerWaalsContact O-CG2 3.29Å; Q877-V881 WeakPolarHBondContact O-CG2 3.37Å; Q877-V881 PolarHBondContact O-N 3.39Å
878	H	64.3	Low	62	Low	131 Å²	131	83.5 Å²	83.5	61%	0.606	42%	0.423	S	S	*	.	H	α-helix	trans	-63.5	-34.6	176.3	-119.2	-69.5	0	0	0	113.1	I874 F875 F882	I874-H878 WeakPolarHBondContact O-CB 3.44Å; I874-H878 PolarHBondContact O-N 2.96Å; F875-H878 CarbonylContact O-C 3.55Å; F875-H878 PolarHBondContact O-N 3.01Å; H878-F882 WeakPolarHBondContact O-CB 3.29Å; H878-F882 PolarHBondContact O-N 3.23Å
879	L	63.2	Low	60.9	Low	21 Å²	21	86.5 Å²	86.5	11%	0.11	44%	0.439	C	S	.	.	H	α-helix	trans	-79.4	-31.1	179.8	-162.8	145.8	0	0	0	111.3	L847 F875 E876 Q877 F882 K883	L847-L879 HydrophobicContact CD2-CD1 4.09Å; L847-L879 HydrophobicContact CD2-CG 4.46Å; F875-L879 HydrophobicContact CD1-CD1 4.41Å; F875-L879 HydrophobicContact CE1-CB 4.48Å; F875-L879 HydrophobicContact CE1-CD1 3.57Å; F875-L879 HydrophobicContact CZ-CD1 4.03Å; F875-L879 VanDerWaalsContact O-CB 3.26Å; F875-L879 WeakPolarHBondContact O-CB 3.4Å; F875-L879 PolarHBondContact O-N 3.45Å; E876-L879 PolarHBondContact O-N 3.15Å; Q877-L879 VanDerWaalsContact C-N 3.32Å; Q877-L879 PolarHBondContact O-N 3.14Å; L879-F882 PolarHBondContact O-N 3.36Å; L879-K883 HydrophobicContact CD2-CD 3.89Å; L879-K883 HydrophobicContact CD2-CG 4.35Å; L879-K883 WeakPolarHBondContact O-CB 3.41Å; L879-K883 WeakPolarHBondContact O-CG 3.48Å; L879-K883 PolarHBondContact O-N 3.45Å
880	N	63.5	Low	59.5	Low	95 Å²	95	84 Å²	84	51%	0.508	43%	0.429	S	S	.	.	H	α-helix	trans	-72.5	-36.5	168.7	-74.4	-38.7	0	0	0	112.1	E876 Q877 K883 S884	E876-N880 VanDerWaalsContact O-CB 3.31Å; E876-N880 WeakPolarHBondContact O-CB 3.42Å; E876-N880 PolarHBondContact O-N 3.4Å; E876-N880 PolarHBondContact O-ND2 2.76Å; E876-N880 VanDerWaalsContact O-ND2 3.11Å; Q877-N880 PolarHBondContact O-N 2.97Å; N880-K883 PolarHBondContact O-N 3.3Å; N880-S884 VanDerWaalsContact O-CB 3.26Å; N880-S884 WeakPolarHBondContact O-CB 3.49Å; N880-S884 PolarHBondContact O-N 2.82Å
881	V	64.1	Low	58	Low	93 Å²	93	82.2 Å²	82.2	56%	0.564	43%	0.426	S	S	*	.	H	α-helix	trans	-66.8	-38.4	168.7	168.7	0	0	0	0	110.9	Q877 S884 S885	Q877-V881 WeakPolarHBondContact O-CB 3.46Å; Q877-V881 VanDerWaalsContact O-CG2 3.29Å; Q877-V881 WeakPolarHBondContact O-CG2 3.37Å; Q877-V881 PolarHBondContact O-N 3.39Å; V881-S884 PolarHBondContact O-N 2.84Å; V881-S885 WeakPolarHBondContact O-CB 3.39Å; V881-S885 PolarHBondContact O-N 3.32Å
882	F	62.4	Low	56.2	Low	86 Å²	86	84.9 Å²	84.9	38%	0.377	44%	0.437	S	S	.	.	H	α-helix	trans	-67.9	-38.2	174.4	-173	-115	0	0	0	111.7	L847 H878 L879 S885 L886	L847-F882 HydrophobicContact CD2-CD1 3.87Å; L847-F882 HydrophobicContact CD2-CE1 4.02Å; H878-F882 WeakPolarHBondContact O-CB 3.29Å; H878-F882 PolarHBondContact O-N 3.23Å; L879-F882 PolarHBondContact O-N 3.36Å; F882-S885 CarbonylContact O-C 3.6Å; F882-S885 PolarHBondContact O-N 2.81Å; F882-L886 HydrophobicContact CD1-CD1 3.75Å; F882-L886 HydrophobicContact CE1-CD1 3.4Å; F882-L886 VanDerWaalsContact CE1-CD1 3.4Å; F882-L886 HydrophobicContact CE1-CG 4.29Å; F882-L886 HydrophobicContact CE2-CD1 4.47Å; F882-L886 HydrophobicContact CG-CD1 4.42Å; F882-L886 HydrophobicContact CZ-CD1 3.81Å; F882-L886 HydrophobicContact CZ-CG 4.29Å; F882-L886 VanDerWaalsContact O-CB 3.27Å; F882-L886 WeakPolarHBondContact O-CB 3.47Å; F882-L886 WeakPolarHBondContact O-CG 3.39Å; F882-L886 PolarHBondContact O-N 2.88Å
883	K	59.2	Low	54.5	Low	76 Å²	76	86.7 Å²	86.7	33%	0.33	45%	0.447	S	S	.	.	H	α-helix	trans	-68	-40.3	171.5	-80.5	178.9	173.8	176.3	0	112.7	E844 L879 N880 L886 M887	E844-K883 VanDerWaalsContact CD-NZ 3.31Å; E844-K883 VanDerWaalsContact OE1-CE 3.31Å; E844-K883 WeakPolarHBondContact OE1-CE 3.26Å; E844-K883 IonicContact OE1-NZ 2.75Å; E844-K883 PolarHBondContact OE1-NZ 3.46Å; E844-K883 WeakPolarHBondContact OE2-CE 3.23Å; E844-K883 IonicContact OE2-NZ 3.22Å; E844-K883 PolarHBondContact OE2-NZ 3.36Å; L879-K883 HydrophobicContact CD2-CD 3.89Å; L879-K883 HydrophobicContact CD2-CG 4.35Å; L879-K883 WeakPolarHBondContact O-CB 3.41Å; L879-K883 WeakPolarHBondContact O-CG 3.48Å; L879-K883 PolarHBondContact O-N 3.45Å; N880-K883 PolarHBondContact O-N 3.3Å; K883-L886 CarbonylContact O-C 3.58Å; K883-L886 PolarHBondContact O-N 2.89Å; K883-M887 WeakPolarHBondContact O-CB 3.26Å; K883-M887 WeakPolarHBondContact O-CG 3.48Å; K883-M887 PolarHBondContact O-N 3.11Å
884	S	55.2	Low	52.9	Low	68 Å²	68	89.9 Å²	89.9	48%	0.476	46%	0.455	S	S	.	.	H	α-helix	trans	-60.8	-46.8	171.8	-179.8	0	0	0	0	111.1	N880 V881 L886 M887 F888	N880-S884 VanDerWaalsContact O-CB 3.26Å; N880-S884 WeakPolarHBondContact O-CB 3.49Å; N880-S884 PolarHBondContact O-N 2.82Å; V881-S884 PolarHBondContact O-N 2.84Å; S884-L886 PolarHBondContact O-N 2.95Å; S884-M887 WeakPolarHBondContact O-CB 3.31Å; S884-M887 PolarHBondContact O-N 3.46Å; S884-F888 PolarHBondContact O-N 2.95Å
885	S	51.7	Low	51.1	Low	55 Å²	55	89.3 Å²	89.3	39%	0.385	45%	0.453	S	S	.	.	H	α-helix	trans	-64.7	-36.9	174.8	-174.8	0	0	0	0	112.5	V881 F882 N889	V881-S885 WeakPolarHBondContact O-CB 3.39Å; V881-S885 PolarHBondContact O-N 3.32Å; F882-S885 CarbonylContact O-C 3.6Å; F882-S885 PolarHBondContact O-N 2.81Å; S885-N889 WeakPolarHBondContact O-CB 3.37Å; S885-N889 PolarHBondContact O-N 2.82Å; S885-N889 PolarHBondContact O-ND2 3.09Å; S885-N889 PolarHBondContact OG-ND2 3.02Å
886	L	50.8	Low	49.1	Very low	52 Å²	52	94.4 Å²	94.4	27%	0.272	48%	0.475	S	S	.	.	H	α-helix	trans	-72.4	-28.9	172.9	-85.4	171.3	0	0	0	112.9	F882 K883 S884 N889 S890	F882-L886 HydrophobicContact CD1-CD1 3.75Å; F882-L886 HydrophobicContact CE1-CD1 3.4Å; F882-L886 VanDerWaalsContact CE1-CD1 3.4Å; F882-L886 HydrophobicContact CE1-CG 4.29Å; F882-L886 HydrophobicContact CE2-CD1 4.47Å; F882-L886 HydrophobicContact CG-CD1 4.42Å; F882-L886 HydrophobicContact CZ-CD1 3.81Å; F882-L886 HydrophobicContact CZ-CG 4.29Å; F882-L886 VanDerWaalsContact O-CB 3.27Å; F882-L886 WeakPolarHBondContact O-CB 3.47Å; F882-L886 WeakPolarHBondContact O-CG 3.39Å; F882-L886 PolarHBondContact O-N 2.88Å; K883-L886 CarbonylContact O-C 3.58Å; K883-L886 PolarHBondContact O-N 2.89Å; S884-L886 PolarHBondContact O-N 2.95Å; L886-N889 CarbonylContact O-C 3.56Å; L886-S890 WeakPolarHBondContact O-CB 3.32Å; L886-S890 PolarHBondContact O-N 3.29Å; L886-S890 PolarHBondContact O-OG 3.15Å
887	M	48	Very low	47.4	Very low	132 Å²	132	92.7 Å²	92.7	65%	0.65	48%	0.476	S	S	*	.	H	α-helix	trans	-69.5	-50.6	172	-73.6	-85.1	-80.5	0	0	109.4	K883 S884 N889 S890 S891	K883-M887 WeakPolarHBondContact O-CB 3.26Å; K883-M887 WeakPolarHBondContact O-CG 3.48Å; K883-M887 PolarHBondContact O-N 3.11Å; S884-M887 WeakPolarHBondContact O-CB 3.31Å; S884-M887 PolarHBondContact O-N 3.46Å; M887-N889 VanDerWaalsContact C-N 3.34Å; M887-N889 PolarHBondContact O-N 2.68Å; M887-S890 WeakPolarHBondContact O-CA 3.43Å; M887-S890 PolarHBondContact O-N 2.9Å; M887-S890 PolarHBondContact O-OG 3.32Å; M887-S891 PolarHBondContact O-N 3.37Å; M887-S891 PolarHBondContact O-OG 2.95Å
888	F	41	Very low	46	Very low	148 Å²	148	91 Å²	91	65%	0.649	47%	0.467	S	S	*	.	H	α-helix	trans	-55.8	-45.6	171.3	-111.2	-93.4	0	0	0	112.2	S884 S890 S891 F892	S884-F888 PolarHBondContact O-N 2.95Å; F888-S890 VanDerWaalsContact C-N 3.29Å; F888-S890 PolarHBondContact O-N 3.38Å; F888-S891 WeakPolarHBondContact O-CB 3.49Å; F888-S891 PolarHBondContact O-N 3.42Å; F888-F892 PolarHBondContact O-N 3.49Å
889	N	39.5	Very low	44.9	Very low	75 Å²	75	86.2 Å²	86.2	40%	0.401	45%	0.454	S	S	.	.	H	α-helix	trans	-70	-21.2	174.5	-79.2	-63.2	0	0	0	112.8	S885 L886 M887 F892 I893	S885-N889 WeakPolarHBondContact O-CB 3.37Å; S885-N889 PolarHBondContact O-N 2.82Å; S885-N889 PolarHBondContact O-ND2 3.09Å; S885-N889 PolarHBondContact OG-ND2 3.02Å; L886-N889 CarbonylContact O-C 3.56Å; M887-N889 VanDerWaalsContact C-N 3.34Å; M887-N889 PolarHBondContact O-N 2.68Å; N889-F892 CarbonylContact O-C 3.46Å; N889-F892 PolarHBondContact O-N 3.34Å; N889-I893 WeakPolarHBondContact O-CB 3.39Å; N889-I893 WeakPolarHBondContact O-CD1 3.32Å; N889-I893 WeakPolarHBondContact O-CG1 3.42Å; N889-I893 PolarHBondContact O-N 3.5Å
890	S	36.8	Very low	43.3	Very low	40 Å²	40	89.2 Å²	89.2	28%	0.28	48%	0.481	S	S	.	.	H	α-helix	trans	-78.3	-32.9	173.1	75.2	0	0	0	0	112	L886 M887 F888 I893 K894	L886-S890 WeakPolarHBondContact O-CB 3.32Å; L886-S890 PolarHBondContact O-N 3.29Å; L886-S890 PolarHBondContact O-OG 3.15Å; M887-S890 WeakPolarHBondContact O-CA 3.43Å; M887-S890 PolarHBondContact O-N 2.9Å; M887-S890 PolarHBondContact O-OG 3.32Å; F888-S890 VanDerWaalsContact C-N 3.29Å; F888-S890 PolarHBondContact O-N 3.38Å; S890-I893 PolarHBondContact O-N 2.92Å; S890-K894 PolarHBondContact O-N 2.85Å
891	S	36	Very low	41.6	Very low	73 Å²	73	93.7 Å²	93.7	51%	0.51	50%	0.497	S	S	.	.	H	α-helix	trans	-60.1	-48.3	162.9	-51	0	0	0	0	110.7	M887 F888 I893 K894 L895	M887-S891 PolarHBondContact O-N 3.37Å; M887-S891 PolarHBondContact O-OG 2.95Å; F888-S891 WeakPolarHBondContact O-CB 3.49Å; F888-S891 PolarHBondContact O-N 3.42Å; S891-I893 VanDerWaalsContact C-N 3.28Å; S891-I893 PolarHBondContact O-N 3.48Å; S891-K894 PolarHBondContact O-N 3.22Å; S891-L895 PolarHBondContact O-N 3Å; S891-L895 VanDerWaalsContact O-N 3.09Å
892	F	32.5	Very low	39.8	Very low	119 Å²	119	95.3 Å²	95.3	52%	0.522	51%	0.507	S	S	.	.	H	α-helix	trans	-67.3	-22	175.3	-102.2	-84.7	0	0	0	114.3	F888 N889 L895 K896	F888-F892 PolarHBondContact O-N 3.49Å; N889-F892 CarbonylContact O-C 3.46Å; N889-F892 PolarHBondContact O-N 3.34Å; F892-L895 WeakPolarHBondContact O-CB 3.39Å; F892-L895 PolarHBondContact O-N 3.11Å; F892-K896 WeakPolarHBondContact O-CB 3.49Å; F892-K896 WeakPolarHBondContact O-CG 3.4Å; F892-K896 PolarHBondContact O-N 2.94Å
893	I	33.8	Very low	38.2	Very low	80 Å²	80	96.8 Å²	96.8	41%	0.41	53%	0.525	S	S	.	.	H	α-helix	trans	-86.1	-28.9	174.6	-74.4	162.8	0	0	0	111.2	N889 S890 S891 L895 K896 S897	N889-I893 WeakPolarHBondContact O-CB 3.39Å; N889-I893 WeakPolarHBondContact O-CD1 3.32Å; N889-I893 WeakPolarHBondContact O-CG1 3.42Å; N889-I893 PolarHBondContact O-N 3.5Å; S890-I893 PolarHBondContact O-N 2.92Å; S891-I893 VanDerWaalsContact C-N 3.28Å; S891-I893 PolarHBondContact O-N 3.48Å; I893-L895 PolarHBondContact O-N 3.33Å; I893-K896 CarbonylContact O-C 3.53Å; I893-K896 PolarHBondContact O-N 2.98Å; I893-S897 WeakPolarHBondContact O-CB 3.39Å; I893-S897 PolarHBondContact O-N 3.5Å; I893-S897 PolarHBondContact O-OG 3.46Å
894	K	34.4	Very low	36.8	Very low	166 Å²	166	98.4 Å²	98.4	72%	0.722	55%	0.546	S	S	*	.	H	α-helix	trans	-66.5	-23.4	162.6	-88.1	-169.4	168.9	-173	0	113	S890 S891 S897	S890-K894 PolarHBondContact O-N 2.85Å; S891-K894 PolarHBondContact O-N 3.22Å; K894-S897 PolarHBondContact O-OG 3.38Å
895	L	32.7	Very low	35.5	Very low	76 Å²	76	107.7 Å²	107.7	40%	0.398	58%	0.581	S	S	.	*	H	α-helix	trans	-79.1	-41.1	167	-75.9	156.9	0	0	0	111.8	D571 S891 F892 I893 K898	D571-L895 HydrophobicContact CB-CD2 4.46Å; S891-L895 PolarHBondContact O-N 3Å; S891-L895 VanDerWaalsContact O-N 3.09Å; F892-L895 WeakPolarHBondContact O-CB 3.39Å; F892-L895 PolarHBondContact O-N 3.11Å; I893-L895 PolarHBondContact O-N 3.33Å; L895-K898 WeakPolarHBondContact O-CB 3.36Å; L895-K898 PolarHBondContact O-N 3.02Å; L895-K898 VanDerWaalsContact O-N 3.16Å
896	K	28.2	Very low	34.7	Very low	142 Å²	142	110.3 Å²	110.3	62%	0.617	59%	0.591	S	S	*	*	H	α-helix	trans	-76.6	-18.2	177.5	-76.1	-171.8	172	-170	0	115.4	F892 I893 K898 G899	F892-K896 WeakPolarHBondContact O-CB 3.49Å; F892-K896 WeakPolarHBondContact O-CG 3.4Å; F892-K896 PolarHBondContact O-N 2.94Å; I893-K896 CarbonylContact O-C 3.53Å; I893-K896 PolarHBondContact O-N 2.98Å; K896-K898 PolarHBondContact O-N 2.98Å; K896-G899 CarbonylContact O-C 3.56Å; K896-G899 PolarHBondContact O-N 2.8Å; K896-G899 VanDerWaalsContact O-O 3.06Å
897	S	31.4	Very low	33.8	Very low	84 Å²	84	113.4 Å²	113.4	59%	0.587	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-6.7	166.1	64.2	0	0	0	0	112.5	I893 K894	I893-S897 WeakPolarHBondContact O-CB 3.39Å; I893-S897 PolarHBondContact O-N 3.5Å; I893-S897 PolarHBondContact O-OG 3.46Å; K894-S897 PolarHBondContact O-OG 3.38Å
898	K	37.1	Very low	33	Very low	98 Å²	98	112.3 Å²	112.3	43%	0.426	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.3	9.3	163.7	-67.5	-173.9	169.9	-174.9	0	113.4	L895 K896	L895-K898 WeakPolarHBondContact O-CB 3.36Å; L895-K898 PolarHBondContact O-N 3.02Å; L895-K898 VanDerWaalsContact O-N 3.16Å; K896-K898 PolarHBondContact O-N 2.98Å
899	G	40.3	Very low	32.6	Very low	32 Å²	32	110.2 Å²	110.2	33%	0.33	60%	0.603	S	S	.	*	S	Bend	trans	-161.4	80.2	-176.1	0	0	0	0	0	112.4	K896	K896-G899 CarbonylContact O-C 3.56Å; K896-G899 PolarHBondContact O-N 2.8Å; K896-G899 VanDerWaalsContact O-O 3.06Å
900	A	30.4	Very low	32.1	Very low	84 Å²	84	112.4 Å²	112.4	69%	0.694	62%	0.615	S	S	*	*			trans	-90.9	123.7	-173.1	0	0	0	0	0	113.3
901	F	27.8	Very low	31.8	Very low	189 Å²	189	117.3 Å²	117.3	83%	0.829	64%	0.638	S	S	*	*			trans	41.4	99.2	152.9	-69.7	-84.6	0	0	0	120.6	P903	F901-P903 WeakPolarHBondContact O-CD 3.38Å
902	T	25.5	Very low	31.5	Very low	126 Å²	126	120.4 Å²	120.4	77%	0.773	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-83.8	120.8	142.5	47.5	0	0	0	0	110.3
903	P	29.9	Very low	31.4	Very low	118 Å²	118	120.5 Å²	120.5	77%	0.766	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-85.3	124.1	161.5	32.3	-28.7	0	0	0	109.3	F901	F901-P903 WeakPolarHBondContact O-CD 3.38Å
904	S	28.8	Very low	31.2	Very low	109 Å²	109	123.9 Å²	123.9	76%	0.762	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-85.7	116.9	174.6	57.3	0	0	0	0	111
905	H	28.2	Very low	30.9	Very low	263 Å²	263	120.1 Å²	120.1	100%	1.218	67%	0.673	S	S	*	*			trans	-150.8	0	158.6	-107.3	-55.1	0	0	0	111.7

Retrieved 905 of 905 residues in 1105.2 ms (Link to these results)

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