A0A5K4FDS7_SCHMA Loading...

Anaphase-promoting complex subunit 1

AlphaFold DB , UniProt , Accession A0A5K4FDS7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,091 aa.

						>A0A5K4FDS7_SCHMA|A0A5K4FDS7
MSFKGSKNDIKNGGGLIANLINFDVKNKSCPLKQNVPVKRIGGLFLSDHGVKVEIPPYASTGRRERILCGAFPSTARGVIGPWLGPDMRMASEVHMLYSPVRFRMPVAVFIPFSFAATREMYHPSGSINIPFESLKRPDSKSSLHNRIQSSKTSAKLRGKPPYSMHFDDHLSTVPSLINARSVSLLHCRLGDDCWHVVKEFTIVQPTIPYADWPLEACELTLQTSRWSVNGSSSENSSSLPIKLGQLLLKKSNLDSARVKQNYNRSEDEKLPYDFANKIEKYCGGVYIYTEELNHCYVLVNSTKAEQFCISPNGGLFLSPLLDPFLSVRIPKRVCPTFEQTIFKKIEIRNTWLNSACQFDSQFNEIEGCSNIFEFQLQDTELKRPATIHLPLPQWYIDKFNKSLDYLVQTNIIVNGIEMDSLPGVPVYHVKNSNVKLSTEDRRLFLLFQPFGYIKQIVWQSAKVKEINEEEIFKTKLFENVDCMESKSFSKCKIDNLFIQLGWSYLLVGIRGGLWKTMKQSVYYTKRTISFNTTILGRFVLIGVRHSDRKTSDKLEHLMTQIESLAYSPPGAILICLHLTANNWQIMANVYPEERLEEVIKKLISNGFIPLVQKSNKIKCYRITGYDINHILMLNGLCLELRFNGDIQIKPTSQFDPYTKCIHSKEKDLLINNSTSSELIRLEKNETFELSDINFDLDIRLNKQTDQLKDEIKPEKLSHTELLSKHARIQLHELMSDTSCIVEIEPMESLEEKYSERSAIKLQYLTELLNKPTPQDPSYQNEDELNDNVDEFIEDSVPENEDTMKTLENNKKLNVTTTENKSLKDQTSSPTIINQDLFNRFETIIENSEISRSSEFIMKIYELYHVGTVEIWLVPPYDMPQLEVKGDNEPQEKQLETKNNLSVSACKPDLRSVSNYENVRPHTNKESTPPTSPIARPKSSFPQTRQPKAIPDDSVGSYKNQKLHNVIPLNTVCGIEIAKEKSPSGVIMEDFPSDLKSPLATYDIMIDPDIVSNYLRVKSFKSKNLNSTGIPNDGLGKSARISSTIVPKEINRSQRGLNSSVGRKLSNSRSINRGIISTRSLNANALRKKTS
					

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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	31.8	Very low	27.5	Very low	237 Å²	237	160.5 Å²	160.5	100%	1.167	85%	0.848	S	S	*	*				0	138.7	0	-68.5	168.4	173.4	0	0	107.9
2	S	26	Very low	27.4	Very low	118 Å²	118	159.8 Å²	159.8	83%	0.825	85%	0.845	S	S	*	*			trans	-102.6	143	172.7	50.6	0	0	0	0	110
3	F	28.9	Very low	27.4	Very low	196 Å²	196	154.8 Å²	154.8	86%	0.86	86%	0.856	S	S	*	*			trans	-127.4	135.2	171.3	-96.2	-86.2	0	0	0	110.1
4	K	26.1	Very low	27.4	Very low	208 Å²	208	146.9 Å²	146.9	90%	0.904	83%	0.826	S	S	*	*			trans	-106.5	149.8	170.8	-79.9	-179.6	173.2	177.5	0	108.9
5	G	25.4	Very low	27.8	Very low	81 Å²	81	141.9 Å²	141.9	84%	0.835	82%	0.821	S	S	*	*			trans	99.4	145.6	177.7	0	0	0	0	0	112.3
6	S	28.4	Very low	28.9	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	81%	0.813	S	S	*	*			cis	-118.3	151.3	7.5	-165.2	0	0	0	0	112.9
7	K	27.3	Very low	29.9	Very low	192 Å²	192	137.1 Å²	137.1	84%	0.835	79%	0.786	S	S	*	*			trans	-95.3	131.9	155.1	-75.3	-176.5	175.5	-176.7	0	107.3
8	N	26.4	Very low	30.7	Very low	142 Å²	142	131.8 Å²	131.8	76%	0.759	76%	0.761	S	S	*	*			trans	-172.7	141.5	137.3	-93.8	-4	0	0	0	111
9	D	25.8	Very low	31.8	Very low	133 Å²	133	130.8 Å²	130.8	71%	0.711	75%	0.753	S	S	*	*			trans	41.9	87.1	151.5	-54.1	-44.4	0	0	0	120.6
10	I	30	Very low	33	Very low	164 Å²	164	125.9 Å²	125.9	84%	0.841	72%	0.724	S	S	*	*			trans	-128.5	112.2	137.5	-59.2	-178.6	0	0	0	108.4
11	K	26	Very low	34	Very low	178 Å²	178	120.1 Å²	120.1	77%	0.774	69%	0.691	S	S	*	*			trans	-89.4	153	164.4	-72.9	-178.6	177.9	176	0	109.7
12	N	27	Very low	34.7	Very low	152 Å²	152	110.4 Å²	110.4	81%	0.813	64%	0.643	S	S	*	*	S	Bend	trans	71.4	101.3	166.3	-53.9	-7.1	0	0	0	118	G14	N12-G14 PolarHBondContact O-N 3.26Å
13	G	26.6	Very low	35.6	Very low	95 Å²	95	110.4 Å²	110.4	98%	0.979	63%	0.629	S	S	*	*	S	Bend	trans	74.5	-13.1	135	0	0	0	0	0	121.5
14	G	28.5	Very low	36.3	Very low	43 Å²	43	105 Å²	105	44%	0.443	61%	0.609	S	S	.	*			trans	-93.3	4.9	-167.8	0	0	0	0	0	118.7	N12 L16 I17	N12-G14 PolarHBondContact O-N 3.26Å; G14-L16 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 2.91Å; G14-I17 PolarHBondContact O-N 2.96Å
15	G	32.4	Very low	37	Very low	72 Å²	72	99.6 Å²	99.6	74%	0.742	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-16.3	-150.7	0	0	0	0	0	120.2
16	L	46	Very low	37.7	Very low	135 Å²	135	103.2 Å²	103.2	71%	0.707	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-13.6	-177	-87.3	162.9	0	0	0	115	G14	G14-L16 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 2.91Å
17	I	45.5	Very low	38.4	Very low	67 Å²	67	101.1 Å²	101.1	34%	0.344	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.5	-26	-175.8	-63.8	165.1	0	0	0	111.4	G14 N19 L20	G14-I17 PolarHBondContact O-N 2.96Å; I17-N19 PolarHBondContact O-N 2.9Å; I17-N19 VanDerWaalsContact O-N 3.14Å; I17-L20 PolarHBondContact O-N 2.98Å
18	A	44.6	Very low	38.9	Very low	42 Å²	42	98.5 Å²	98.5	35%	0.347	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.7	-16.6	-171.6	0	0	0	0	0	115.5	F23	A18-F23 HydrophobicContact CB-CE1 3.77Å; A18-F23 HydrophobicContact CB-CZ 4.33Å; A18-F23 WeakPolarHBondContact O-CE1 3.28Å; A18-F23 WeakPolarHBondContact O-CZ 3.05Å
19	N	51.2	Low	39.3	Very low	114 Å²	114	96 Å²	96	61%	0.61	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.6	-177.9	-67.3	3.6	0	0	0	113.2	I17 G43 L44	I17-N19 PolarHBondContact O-N 2.9Å; I17-N19 VanDerWaalsContact O-N 3.14Å; N19-G43 WeakPolarHBondContact O-CA 3.33Å; N19-L44 WeakPolarHBondContact O-CB 3.46Å; N19-L44 PolarHBondContact O-N 2.85Å
20	L	55.6	Low	39.5	Very low	31 Å²	31	91 Å²	91	16%	0.162	52%	0.523	C	S	.	.	B	Isolated β-bridge	trans	-70.4	140.4	-179.9	-74.6	172	0	0	0	111.9	I17 N22 F23 L44 Y273	I17-L20 PolarHBondContact O-N 2.98Å; L20-N22 PolarHBondContact O-N 3.48Å; L20-F23 PolarHBondContact O-N 3.16Å; L20-L44 WeakPolarHBondContact CA-O 3.43Å; L20-L44 HydrophobicContact CD2-CD2 4.4Å; L20-L44 HydrophobicContact CD2-CG 4.43Å; L20-Y273 HydrophobicContact CD1-CE2 3.98Å; L20-Y273 HydrophobicContact CD2-CE2 4.14Å
21	I	54.5	Low	39.9	Very low	6 Å²	6	85.9 Å²	85.9	3%	0.031	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-51.6	129.3	175	-69.8	175.5	0	0	0	110.3	F23 V36 V38 G43 L44 F45 I55	I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.31Å; I21-V36 HydrophobicContact CG2-CG1 3.97Å; I21-V38 HydrophobicContact CD1-CG2 4.44Å; I21-G43 VanDerWaalsContact CG1-C 3.46Å; I21-L44 PolarHBondContact N-O 3.08Å; I21-F45 HydrophobicContact CD1-CB 3.89Å; I21-I55 HydrophobicContact CD1-CD1 3.51Å; I21-I55 HydrophobicContact CD1-CG1 4.29Å
22	N	46.8	Very low	40.2	Very low	32 Å²	32	82.9 Å²	82.9	17%	0.171	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	71.9	-3.9	177.5	-61.3	-37.1	0	0	0	118.6	L20 D24 P37 K39	L20-N22 PolarHBondContact O-N 3.48Å; N22-D24 PolarHBondContact O-N 2.96Å; N22-D24 VanDerWaalsContact O-N 3.16Å; N22-P37 PolarHBondContact ND2-O 3.25Å; N22-K39 WeakPolarHBondContact OD1-CD 3.44Å; N22-K39 WeakPolarHBondContact OD1-CE 3.46Å; N22-K39 WeakPolarHBondContact OD1-CG 3.13Å
23	F	45.4	Very low	40.9	Very low	119 Å²	119	84.1 Å²	84.1	52%	0.522	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	58.4	13.5	-177.2	-69.1	-108.9	0	0	0	114.9	A18 L20 I21 V25	A18-F23 HydrophobicContact CB-CE1 3.77Å; A18-F23 HydrophobicContact CB-CZ 4.33Å; A18-F23 WeakPolarHBondContact O-CE1 3.28Å; A18-F23 WeakPolarHBondContact O-CZ 3.05Å; L20-F23 PolarHBondContact O-N 3.16Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.31Å; F23-V25 PolarHBondContact O-N 3.02Å
24	D	43.1	Very low	42.1	Very low	81 Å²	81	86.2 Å²	86.2	43%	0.433	48%	0.475	S	S	.	.			trans	-80.4	116.5	-167.5	-158.1	-31.4	0	0	0	112.3	N22 K26 N27	N22-D24 PolarHBondContact O-N 2.96Å; N22-D24 VanDerWaalsContact O-N 3.16Å; D24-K26 PolarHBondContact O-N 3.46Å; D24-K26 VanDerWaalsContact O-N 3.11Å; D24-K26 WeakPolarHBondContact OD1-CB 3.35Å; D24-K26 WeakPolarHBondContact OD1-CG 3.32Å; D24-K26 PolarHBondContact OD1-N 3.11Å; D24-N27 PolarHBondContact O-N 2.97Å; D24-N27 VanDerWaalsContact O-N 3.14Å
25	V	41.2	Very low	43.7	Very low	96 Å²	96	87.9 Å²	87.9	58%	0.582	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23.4	177.7	-178.6	0	0	0	0	111.7	F23 N27 K28	F23-V25 PolarHBondContact O-N 3.02Å; V25-N27 PolarHBondContact O-N 3.07Å; V25-K28 HydrophobicContact CG1-CD 4.11Å; V25-K28 VanDerWaalsContact O-CB 3.27Å; V25-K28 WeakPolarHBondContact O-CB 3.45Å; V25-K28 WeakPolarHBondContact O-CG 3.39Å; V25-K28 PolarHBondContact O-N 3.12Å
26	K	40.1	Very low	45.5	Very low	156 Å²	156	85.7 Å²	85.7	68%	0.678	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-64.4	-21.7	178	-67.3	175.8	178.9	179.3	0	114.1	D24 K28	D24-K26 PolarHBondContact O-N 3.46Å; D24-K26 VanDerWaalsContact O-N 3.11Å; D24-K26 WeakPolarHBondContact OD1-CB 3.35Å; D24-K26 WeakPolarHBondContact OD1-CG 3.32Å; D24-K26 PolarHBondContact OD1-N 3.11Å; K26-K28 PolarHBondContact O-N 2.95Å
27	N	41.9	Very low	47	Very low	74 Å²	74	82.6 Å²	82.6	40%	0.396	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-69.5	-13	172.6	-72.4	-5.3	0	0	0	113	D24 V25	D24-N27 PolarHBondContact O-N 2.97Å; D24-N27 VanDerWaalsContact O-N 3.14Å; V25-N27 PolarHBondContact O-N 3.07Å
28	K	38.3	Very low	48.6	Very low	136 Å²	136	79.6 Å²	79.6	59%	0.591	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-72.1	-33.7	180	-68.5	-170.7	179.3	-174.5	0	114.3	V25 K26	V25-K28 HydrophobicContact CG1-CD 4.11Å; V25-K28 VanDerWaalsContact O-CB 3.27Å; V25-K28 WeakPolarHBondContact O-CB 3.45Å; V25-K28 WeakPolarHBondContact O-CG 3.39Å; V25-K28 PolarHBondContact O-N 3.12Å; K26-K28 PolarHBondContact O-N 2.95Å
29	S	34.5	Very low	50.4	Low	91 Å²	91	82.9 Å²	82.9	64%	0.636	43%	0.425	S	S	*	.	S	Bend	trans	-107.5	1	-176.8	64	0	0	0	0	112.8
30	C	30.4	Very low	52	Low	27 Å²	27	84.6 Å²	84.6	18%	0.182	42%	0.423	C	S	.	.			trans	-169.7	111.4	175.6	-108.5	0	0	0	0	110.6	L32	C30-L32 HydrophobicContact CB-CB 3.97Å; C30-L32 HydrophobicContact CB-CD1 3.69Å; C30-L32 HydrophobicContact CB-CG 3.69Å; C30-L32 PolarHBondContact O-N 2.87Å; C30-L32 VanDerWaalsContact SG-CD1 3.57Å
31	P	39	Very low	53.4	Low	57 Å²	57	88.1 Å²	88.1	37%	0.37	44%	0.441	S	S	.	.			trans	-66.5	94.7	147.5	29.2	-30.8	0	0	0	106.4	D48 K270	P31-D48 VanDerWaalsContact CB-OD1 3.25Å; P31-D48 WeakPolarHBondContact CB-OD1 3.27Å; P31-D48 WeakPolarHBondContact CG-OD1 3.22Å; P31-D48 WeakPolarHBondContact CG-OD2 3.39Å; P31-K270 HydrophobicContact CG-CD 3.7Å; P31-K270 PolarHBondContact O-NZ 2.97Å
32	L	31.8	Very low	54.8	Low	115 Å²	115	88 Å²	88	60%	0.602	44%	0.441	S	S	*	.			trans	-117.6	131.7	-177.9	-104.7	176.5	0	0	0	110.4	C30	C30-L32 HydrophobicContact CB-CB 3.97Å; C30-L32 HydrophobicContact CB-CD1 3.69Å; C30-L32 HydrophobicContact CB-CG 3.69Å; C30-L32 PolarHBondContact O-N 2.87Å; C30-L32 VanDerWaalsContact SG-CD1 3.57Å
33	K	42.7	Very low	56.6	Low	177 Å²	177	87.5 Å²	87.5	77%	0.77	44%	0.443	S	S	*	.			trans	60.9	90.4	179.3	-55.8	-178.1	-177.9	-179.7	0	112.7	N35	K33-N35 PolarHBondContact O-N 2.77Å
34	Q	51.8	Low	58.4	Low	139 Å²	139	82.8 Å²	82.8	65%	0.65	42%	0.424	S	S	*	.	S	Bend	trans	-0.8	9.7	136.2	-84.9	-179.6	-5.9	0	0	122.2	L68	Q34-L68 HydrophobicContact CB-CD1 3.73Å; Q34-L68 HydrophobicContact CG-CD1 3.97Å; Q34-L68 WeakPolarHBondContact O-CA 3.47Å; Q34-L68 VanDerWaalsContact O-CB 3.25Å; Q34-L68 WeakPolarHBondContact O-CB 3.49Å; Q34-L68 WeakPolarHBondContact O-CD1 3.24Å
35	N	61.5	Low	60.2	Low	79 Å²	79	80.3 Å²	80.3	42%	0.422	41%	0.409	S	S	.	.			trans	-152.5	70.3	-174.2	-163	-13.6	0	0	0	110.9	K33 R66 I67	K33-N35 PolarHBondContact O-N 2.77Å; N35-R66 WeakPolarHBondContact OD1-CB 3.43Å; N35-R66 WeakPolarHBondContact OD1-CD 3.39Å; N35-I67 CarbonylContact C-O 3.58Å; N35-I67 WeakPolarHBondContact CA-O 3.04Å
36	V	70.6	Confident	62.1	Low	26 Å²	26	77 Å²	77	16%	0.158	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.3	-171.7	179.3	0	0	0	0	110.9	I21 F45 R66 I67	I21-V36 HydrophobicContact CG2-CG1 3.97Å; V36-F45 HydrophobicContact CB-CD2 4.41Å; V36-F45 HydrophobicContact CB-CE2 4.47Å; V36-F45 HydrophobicContact CG2-CD2 4.16Å; V36-F45 HydrophobicContact CG2-CE2 3.85Å; V36-R66 CarbonylContact O-C 3.59Å; V36-R66 WeakPolarHBondContact O-CA 3.16Å; V36-I67 PolarHBondContact N-O 2.82Å; V36-I67 PolarHBondContact O-N 3.09Å
37	P	76.1	Confident	63.9	Low	70 Å²	70	70 Å²	70	46%	0.455	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.2	178.4	31	-34.1	0	0	0	112.3	N22 R66	N22-P37 PolarHBondContact ND2-O 3.25Å; P37-R66 HydrophobicContact CB-CG 4.37Å
38	V	80	Confident	65.1	Low	4 Å²	4	69 Å²	69	2%	0.024	35%	0.353	C	S	.	.			trans	-99.4	112.7	-172.9	-178.1	0	0	0	0	111.1	I21 I55 S60 G62 E65 I67	I21-V38 HydrophobicContact CD1-CG2 4.44Å; V38-I55 HydrophobicContact CB-CD1 4.16Å; V38-I55 HydrophobicContact CG1-CD1 3.44Å; V38-I55 VanDerWaalsContact CG1-CD1 3.44Å; V38-I55 HydrophobicContact CG1-CG2 4.06Å; V38-I55 HydrophobicContact CG2-CD1 3.56Å; V38-S60 PolarHBondContact O-OG 3.3Å; V38-G62 WeakPolarHBondContact O-CA 3.18Å; V38-E65 HydrophobicContact CB-CB 4.28Å; V38-E65 PolarHBondContact N-O 2.92Å; V38-I67 HydrophobicContact CG2-CG1 4.1Å
39	K	82.7	Confident	66.6	Low	111 Å²	111	66.5 Å²	66.5	48%	0.483	34%	0.343	S	S	.	.			trans	-68.4	160.2	172.7	-75.5	172.2	-166.9	165.5	0	112.2	N22 I41 G42	N22-K39 WeakPolarHBondContact OD1-CD 3.44Å; N22-K39 WeakPolarHBondContact OD1-CE 3.46Å; N22-K39 WeakPolarHBondContact OD1-CG 3.13Å; K39-I41 HydrophobicContact CB-CG2 4.23Å; K39-I41 PolarHBondContact O-N 3.38Å; K39-I41 VanDerWaalsContact O-N 3.09Å; K39-G42 PolarHBondContact O-N 3.2Å; K39-G42 VanDerWaalsContact O-N 3.08Å
40	R	84.5	Confident	68.7	Low	149 Å²	149	62.2 Å²	62.2	56%	0.562	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.4	175.2	-73.3	-172.5	177.4	-171.7	-3.5	115.1	G42 Y58 T61	R40-G42 PolarHBondContact O-N 3.19Å; R40-Y58 WeakPolarHBondContact O-CA 3.42Å; R40-Y58 PolarHBondContact O-N 3.08Å; R40-T61 VanDerWaalsContact CG-C 3.49Å; R40-T61 VanDerWaalsContact CG-O 3.22Å; R40-T61 WeakPolarHBondContact CG-O 3.45Å; R40-T61 PolarHBondContact NE-O 2.97Å
41	I	84.6	Confident	71.2	Confident	106 Å²	106	60.9 Å²	60.9	54%	0.544	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.6	-179.3	-157.3	164.5	0	0	0	112.9	K39	K39-I41 HydrophobicContact CB-CG2 4.23Å; K39-I41 PolarHBondContact O-N 3.38Å; K39-I41 VanDerWaalsContact O-N 3.09Å
42	G	83.4	Confident	73.6	Confident	2 Å²	2	58.7 Å²	58.7	2%	0.021	29%	0.289	C	S	.	.			trans	75	-146	-175.1	0	0	0	0	0	112	K39 R40 I55	K39-G42 PolarHBondContact O-N 3.2Å; K39-G42 VanDerWaalsContact O-N 3.08Å; R40-G42 PolarHBondContact O-N 3.19Å; G42-I55 CarbonylContact C-O 3.53Å; G42-I55 VanDerWaalsContact CA-O 3.24Å; G42-I55 WeakPolarHBondContact CA-O 3.42Å
43	G	84.3	Confident	76.3	Confident	22 Å²	22	53.2 Å²	53.2	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.5	175.3	176.5	0	0	0	0	0	113.6	N19 I21 I55	N19-G43 WeakPolarHBondContact O-CA 3.33Å; I21-G43 VanDerWaalsContact CG1-C 3.46Å; G43-I55 PolarHBondContact N-O 3.01Å; G43-I55 PolarHBondContact O-N 3.28Å
44	L	82.8	Confident	78.5	Confident	21 Å²	21	49.2 Å²	49.2	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.2	175.6	174.4	66.9	0	0	0	111.1	N19 L20 I21 K52 E54	N19-L44 WeakPolarHBondContact O-CB 3.46Å; N19-L44 PolarHBondContact O-N 2.85Å; L20-L44 WeakPolarHBondContact CA-O 3.43Å; L20-L44 HydrophobicContact CD2-CD2 4.4Å; L20-L44 HydrophobicContact CD2-CG 4.43Å; I21-L44 PolarHBondContact N-O 3.08Å; L44-K52 HydrophobicContact CD1-CB 3.83Å; L44-K52 HydrophobicContact CD1-CD 4.38Å; L44-K52 HydrophobicContact CD1-CG 4.27Å; L44-E54 HydrophobicContact CD1-CG 3.78Å
45	F	82.8	Confident	80.3	Confident	29 Å²	29	42.9 Å²	42.9	13%	0.127	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	141.9	157.9	175.3	-90.5	0	0	0	109.2	I21 V36 K52 V53 I67 C69	I21-F45 HydrophobicContact CD1-CB 3.89Å; V36-F45 HydrophobicContact CB-CD2 4.41Å; V36-F45 HydrophobicContact CB-CE2 4.47Å; V36-F45 HydrophobicContact CG2-CD2 4.16Å; V36-F45 HydrophobicContact CG2-CE2 3.85Å; F45-K52 CarbonylContact O-C 3.5Å; F45-K52 WeakPolarHBondContact O-CA 3.29Å; F45-V53 HydrophobicContact CB-CB 4.19Å; F45-V53 HydrophobicContact CD1-CB 4.48Å; F45-V53 HydrophobicContact CD1-CG2 4.23Å; F45-V53 PolarHBondContact N-O 3.23Å; F45-V53 PolarHBondContact O-N 2.85Å; F45-I67 HydrophobicContact CD1-CG2 4.38Å; F45-I67 HydrophobicContact CD2-CG2 4.48Å; F45-I67 HydrophobicContact CG-CG2 4.38Å; F45-C69 HydrophobicContact CD1-CB 4.44Å; F45-C69 HydrophobicContact CE1-CB 3.41Å; F45-C69 VanDerWaalsContact CE1-CB 3.41Å; F45-C69 HydrophobicContact CZ-CB 3.67Å
46	L	80.9	Confident	81.7	Confident	26 Å²	26	41 Å²	41	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.4	173.7	179	71.2	0	0	0	108.2	V51 K52 Y273 A276 N277	L46-V51 WeakPolarHBondContact CA-O 3.47Å; L46-K52 HydrophobicContact CD1-CD 4.43Å; L46-K52 HydrophobicContact CD1-CG 3.72Å; L46-Y273 HydrophobicContact CD2-CD2 3.81Å; L46-Y273 HydrophobicContact CD2-CE2 3.5Å; L46-A276 HydrophobicContact CD2-CB 4.13Å; L46-N277 HydrophobicContact CD2-CB 3.94Å
47	S	76.2	Confident	82.5	Confident	8 Å²	8	43.2 Å²	43.2	6%	0.056	22%	0.222	C	C	.	.			trans	-98.9	160.6	171.1	81.2	0	0	0	0	112.5	H49 G50 V51	S47-H49 PolarHBondContact O-N 2.85Å; S47-H49 VanDerWaalsContact O-N 3.08Å; S47-H49 PolarHBondContact OG-N 2.9Å; S47-G50 PolarHBondContact O-N 2.96Å; S47-V51 PolarHBondContact N-O 3.09Å; S47-V51 WeakPolarHBondContact OG-CB 3.39Å; S47-V51 PolarHBondContact OG-N 3.24Å
48	D	68.1	Low	83	Confident	55 Å²	55	48.1 Å²	48.1	29%	0.294	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.6	175	-54	36.2	0	0	0	112.4	P31	P31-D48 VanDerWaalsContact CB-OD1 3.25Å; P31-D48 WeakPolarHBondContact CB-OD1 3.27Å; P31-D48 WeakPolarHBondContact CG-OD1 3.22Å; P31-D48 WeakPolarHBondContact CG-OD2 3.39Å
49	H	70.5	Confident	83.3	Confident	83 Å²	83	47.9 Å²	47.9	38%	0.384	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	7.6	176.9	-48.7	-75	0	0	0	113.9	S47 V51 A71 P112	S47-H49 PolarHBondContact O-N 2.85Å; S47-H49 VanDerWaalsContact O-N 3.08Å; S47-H49 PolarHBondContact OG-N 2.9Å; H49-V51 PolarHBondContact O-N 3.47Å; H49-A71 WeakPolarHBondContact NE2-CB 3.4Å; H49-P112 WeakPolarHBondContact O-CG 3.25Å
50	G	76.9	Confident	83.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	82.3	4.9	179	0	0	0	0	0	116.1	S47 K52	S47-G50 PolarHBondContact O-N 2.96Å; G50-K52 PolarHBondContact O-N 3.23Å
51	V	84.1	Confident	83.2	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.			trans	-66.8	129.5	171.9	179	0	0	0	0	108.7	L46 S47 H49 H95 F110	L46-V51 WeakPolarHBondContact CA-O 3.47Å; S47-V51 PolarHBondContact N-O 3.09Å; S47-V51 WeakPolarHBondContact OG-CB 3.39Å; S47-V51 PolarHBondContact OG-N 3.24Å; H49-V51 PolarHBondContact O-N 3.47Å; V51-H95 VanDerWaalsContact CG2-CE1 3.49Å; V51-H95 WeakPolarHBondContact CG2-CE1 3.49Å; V51-F110 WeakPolarHBondContact CA-O 3.35Å; V51-F110 VanDerWaalsContact CG1-O 3.31Å; V51-F110 WeakPolarHBondContact CG1-O 3.43Å
52	K	88.4	Confident	82.7	Confident	10 Å²	10	33.7 Å²	33.7	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.4	176.4	-54.4	-180	-177.9	-172.2	0	110.1	L44 F45 L46 G50 V109 F110 N277 E280	L44-K52 HydrophobicContact CD1-CB 3.83Å; L44-K52 HydrophobicContact CD1-CD 4.38Å; L44-K52 HydrophobicContact CD1-CG 4.27Å; F45-K52 CarbonylContact O-C 3.5Å; F45-K52 WeakPolarHBondContact O-CA 3.29Å; L46-K52 HydrophobicContact CD1-CD 4.43Å; L46-K52 HydrophobicContact CD1-CG 3.72Å; G50-K52 PolarHBondContact O-N 3.23Å; K52-V109 CarbonylContact O-C 3.59Å; K52-V109 WeakPolarHBondContact O-CA 3.41Å; K52-F110 HydrophobicContact CB-CB 3.84Å; K52-F110 HydrophobicContact CD-CD1 4.36Å; K52-F110 HydrophobicContact CG-CB 4.37Å; K52-F110 HydrophobicContact CG-CD1 4.15Å; K52-F110 PolarHBondContact N-O 3.36Å; K52-F110 VanDerWaalsContact N-O 3.07Å; K52-F110 PolarHBondContact O-N 2.96Å; K52-N277 PolarHBondContact NZ-O 3Å; K52-N277 PolarHBondContact NZ-OD1 3.27Å; K52-N277 VanDerWaalsContact NZ-OD1 3.15Å; K52-E280 IonicContact NZ-OE2 3.85Å; K52-E280 PolarHBondContact NZ-OE2 3.35Å
53	V	88.9	Confident	82.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	111.5	166.4	-172	0	0	0	0	108.8	F45 I55 I67 L97 V107 A108 V109 L293	F45-V53 HydrophobicContact CB-CB 4.19Å; F45-V53 HydrophobicContact CD1-CB 4.48Å; F45-V53 HydrophobicContact CD1-CG2 4.23Å; F45-V53 PolarHBondContact N-O 3.23Å; F45-V53 PolarHBondContact O-N 2.85Å; V53-I55 HydrophobicContact CG1-CG1 4.3Å; V53-I67 HydrophobicContact CB-CD1 4.11Å; V53-I67 HydrophobicContact CG1-CD1 3.74Å; V53-L97 HydrophobicContact CG2-CD2 3.99Å; V53-V107 HydrophobicContact CG1-CB 4.26Å; V53-V107 HydrophobicContact CG1-CG2 4.09Å; V53-A108 CarbonylContact C-O 3.42Å; V53-A108 WeakPolarHBondContact CA-O 3.16Å; V53-V109 HydrophobicContact CG1-CG2 4.12Å; V53-V109 HydrophobicContact CG2-CG1 4.43Å; V53-V109 HydrophobicContact CG2-CG2 4.23Å; V53-L293 HydrophobicContact CG1-CD1 4.27Å
54	E	90.1	Very high	81.6	Confident	93 Å²	93	51.8 Å²	51.8	44%	0.435	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.4	175.7	-64.1	-166.2	156.8	0	0	110	L44 A108	L44-E54 HydrophobicContact CD1-CG 3.78Å; E54-A108 HydrophobicContact CB-CB 4.31Å; E54-A108 PolarHBondContact N-O 3.14Å; E54-A108 PolarHBondContact O-N 3.25Å
55	I	89.4	Confident	81.3	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.7	-179.4	-50.9	177.9	0	0	0	107.9	I21 V38 G42 G43 V53 A59 I67 F103 V107	I21-I55 HydrophobicContact CD1-CD1 3.51Å; I21-I55 HydrophobicContact CD1-CG1 4.29Å; V38-I55 HydrophobicContact CB-CD1 4.16Å; V38-I55 HydrophobicContact CG1-CD1 3.44Å; V38-I55 VanDerWaalsContact CG1-CD1 3.44Å; V38-I55 HydrophobicContact CG1-CG2 4.06Å; V38-I55 HydrophobicContact CG2-CD1 3.56Å; G42-I55 CarbonylContact C-O 3.53Å; G42-I55 VanDerWaalsContact CA-O 3.24Å; G42-I55 WeakPolarHBondContact CA-O 3.42Å; G43-I55 PolarHBondContact N-O 3.01Å; G43-I55 PolarHBondContact O-N 3.28Å; V53-I55 HydrophobicContact CG1-CG1 4.3Å; I55-A59 HydrophobicContact CG2-CB 3.93Å; I55-I67 HydrophobicContact CD1-CD1 3.57Å; I55-I67 HydrophobicContact CD1-CG1 4.4Å; I55-I67 HydrophobicContact CG1-CD1 4.22Å; I55-F103 HydrophobicContact CD1-CE1 4.28Å; I55-F103 HydrophobicContact CD1-CZ 4.49Å; I55-F103 HydrophobicContact CG2-CD1 4.35Å; I55-F103 HydrophobicContact CG2-CE1 4.29Å; I55-V107 HydrophobicContact CB-CG1 4.29Å; I55-V107 HydrophobicContact CG1-CG1 4.13Å; I55-V107 HydrophobicContact CG2-CG1 4.01Å
56	P	89.5	Confident	81.1	Confident	40 Å²	40	55.3 Å²	55.3	26%	0.26	26%	0.255	S	S	.	.			trans	-66.1	152.7	178	20.8	-25.6	0	0	0	111.4	Y58 A59 M105 P106	P56-Y58 PolarHBondContact O-N 3.33Å; P56-A59 HydrophobicContact CG-CB 4.06Å; P56-A59 VanDerWaalsContact O-CB 3.23Å; P56-A59 WeakPolarHBondContact O-CB 3.46Å; P56-A59 PolarHBondContact O-N 3.14Å; P56-M105 HydrophobicContact CB-CE 4.47Å; P56-M105 HydrophobicContact CG-CB 4.38Å; P56-M105 HydrophobicContact CG-CE 4.43Å; P56-P106 WeakPolarHBondContact CG-O 3.25Å
57	P	87.2	Confident	81	Confident	73 Å²	73	54.1 Å²	54.1	47%	0.474	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	140.3	175.3	-26.4	34.4	0	0	0	112	A59	P57-A59 PolarHBondContact O-N 3.45Å
58	Y	86.6	Confident	81.1	Confident	172 Å²	172	55.3 Å²	55.3	68%	0.675	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-1.2	-177.9	-46.7	-76.2	0	0	0	117.1	R40 P56 S60	R40-Y58 WeakPolarHBondContact O-CA 3.42Å; R40-Y58 PolarHBondContact O-N 3.08Å; P56-Y58 PolarHBondContact O-N 3.33Å; Y58-S60 PolarHBondContact O-N 3.05Å
59	A	87.1	Confident	81.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-63.1	-30.6	171.6	0	0	0	0	0	112.9	I55 P56 P57 R104 M105	I55-A59 HydrophobicContact CG2-CB 3.93Å; P56-A59 HydrophobicContact CG-CB 4.06Å; P56-A59 VanDerWaalsContact O-CB 3.23Å; P56-A59 WeakPolarHBondContact O-CB 3.46Å; P56-A59 PolarHBondContact O-N 3.14Å; P57-A59 PolarHBondContact O-N 3.45Å; A59-R104 WeakPolarHBondContact O-CB 3.48Å; A59-R104 PolarHBondContact O-N 2.9Å; A59-M105 HydrophobicContact CB-CB 3.95Å; A59-M105 HydrophobicContact CB-CG 4.46Å
60	S	84.7	Confident	81.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.007	23%	0.231	C	C	.	.	S	Bend	trans	-99.7	141.2	171.1	169.4	0	0	0	0	111.4	V38 Y58 G62 E65	V38-S60 PolarHBondContact O-OG 3.3Å; Y58-S60 PolarHBondContact O-N 3.05Å; S60-G62 PolarHBondContact O-N 3.3Å; S60-G62 PolarHBondContact OG-N 2.84Å; S60-E65 WeakPolarHBondContact OG-CB 3.21Å; S60-E65 PolarHBondContact OG-OE2 2.83Å
61	T	81.4	Confident	81.2	Confident	31 Å²	31	51 Å²	51	19%	0.19	24%	0.241	C	C	.	.			trans	-74.2	-11.2	168.4	71.4	0	0	0	0	113.8	R40 E65 R104	R40-T61 VanDerWaalsContact CG-C 3.49Å; R40-T61 VanDerWaalsContact CG-O 3.22Å; R40-T61 WeakPolarHBondContact CG-O 3.45Å; R40-T61 PolarHBondContact NE-O 2.97Å; T61-E65 WeakPolarHBondContact CA-OE1 3.47Å; T61-E65 WeakPolarHBondContact CB-OE1 3.3Å; T61-E65 VanDerWaalsContact CG2-OE1 3.3Å; T61-E65 WeakPolarHBondContact CG2-OE1 2.92Å; T61-E65 VanDerWaalsContact N-CD 3.28Å; T61-E65 PolarHBondContact N-OE1 3.46Å; T61-E65 VanDerWaalsContact OG1-CD 3.24Å; T61-E65 PolarHBondContact OG1-OE1 3.03Å; T61-E65 PolarHBondContact OG1-OE2 3.22Å; T61-E65 VanDerWaalsContact OG1-OE2 3.07Å; T61-R104 VanDerWaalsContact CG2-NE 3.34Å
62	G	73.4	Confident	80.1	Confident	35 Å²	35	52.6 Å²	52.6	36%	0.361	25%	0.248	S	C	.	.	S	Bend	trans	79.1	21.3	179.3	0	0	0	0	0	114.5	V38 S60 E65	V38-G62 WeakPolarHBondContact O-CA 3.18Å; S60-G62 PolarHBondContact O-N 3.3Å; S60-G62 PolarHBondContact OG-N 2.84Å; G62-E65 PolarHBondContact N-OE2 3.31Å
63	R	73.4	Confident	78.3	Confident	217 Å²	217	55.6 Å²	55.6	82%	0.819	27%	0.268	S	S	*	.	S	Bend	trans	-134.5	-32.4	-170.1	-74.4	-172.4	171.6	-174.2	-2.8	115.6	E65	R63-E65 PolarHBondContact N-OE2 3.02Å
64	R	71.5	Confident	76.5	Confident	188 Å²	188	57.1 Å²	57.1	71%	0.709	28%	0.279	S	S	*	.	S	Bend	trans	-130.7	-24.2	-173.6	-65.5	-177.4	173.9	179	-2.6	113	P100 V101	R64-P100 WeakPolarHBondContact O-CG 3.44Å; R64-V101 HydrophobicContact CB-CG2 3.72Å
65	E	76.1	Confident	74.3	Confident	9 Å²	9	57.7 Å²	57.7	4%	0.042	29%	0.289	C	S	.	.			trans	-71.3	123.4	-176.8	-54	82.4	170.4	0	0	110	V38 S60 T61 G62 R63 F103	V38-E65 HydrophobicContact CB-CB 4.28Å; V38-E65 PolarHBondContact N-O 2.92Å; S60-E65 WeakPolarHBondContact OG-CB 3.21Å; S60-E65 PolarHBondContact OG-OE2 2.83Å; T61-E65 WeakPolarHBondContact CA-OE1 3.47Å; T61-E65 WeakPolarHBondContact CB-OE1 3.3Å; T61-E65 VanDerWaalsContact CG2-OE1 3.3Å; T61-E65 WeakPolarHBondContact CG2-OE1 2.92Å; T61-E65 VanDerWaalsContact N-CD 3.28Å; T61-E65 PolarHBondContact N-OE1 3.46Å; T61-E65 VanDerWaalsContact OG1-CD 3.24Å; T61-E65 PolarHBondContact OG1-OE1 3.03Å; T61-E65 PolarHBondContact OG1-OE2 3.22Å; T61-E65 VanDerWaalsContact OG1-OE2 3.07Å; G62-E65 PolarHBondContact N-OE2 3.31Å; R63-E65 PolarHBondContact N-OE2 3.02Å; E65-F103 HydrophobicContact CB-CE1 4.06Å; E65-F103 HydrophobicContact CG-CE1 4.4Å
66	R	79.3	Confident	72.3	Confident	115 Å²	115	58.6 Å²	58.6	43%	0.434	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.8	175.2	-52.7	-166.1	174.6	-173.3	-1.7	109	N35 V36 P37 S99	N35-R66 WeakPolarHBondContact OD1-CB 3.43Å; N35-R66 WeakPolarHBondContact OD1-CD 3.39Å; V36-R66 CarbonylContact O-C 3.59Å; V36-R66 WeakPolarHBondContact O-CA 3.16Å; P37-R66 HydrophobicContact CB-CG 4.37Å; R66-S99 VanDerWaalsContact O-CA 3.23Å; R66-S99 WeakPolarHBondContact O-CA 3.15Å; R66-S99 WeakPolarHBondContact O-CB 3.18Å; R66-S99 PolarHBondContact O-OG 3.3Å
67	I	79	Confident	70.6	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.3	174.2	-65.4	-169.4	0	0	0	110.5	N35 V36 V38 F45 V53 I55 C69 F103 L293	N35-I67 CarbonylContact C-O 3.58Å; N35-I67 WeakPolarHBondContact CA-O 3.04Å; V36-I67 PolarHBondContact N-O 2.82Å; V36-I67 PolarHBondContact O-N 3.09Å; V38-I67 HydrophobicContact CG2-CG1 4.1Å; F45-I67 HydrophobicContact CD1-CG2 4.38Å; F45-I67 HydrophobicContact CD2-CG2 4.48Å; F45-I67 HydrophobicContact CG-CG2 4.38Å; V53-I67 HydrophobicContact CB-CD1 4.11Å; V53-I67 HydrophobicContact CG1-CD1 3.74Å; I55-I67 HydrophobicContact CD1-CD1 3.57Å; I55-I67 HydrophobicContact CD1-CG1 4.4Å; I55-I67 HydrophobicContact CG1-CD1 4.22Å; I67-C69 HydrophobicContact CG2-CB 4.39Å; I67-F103 HydrophobicContact CD1-CZ 4.34Å; I67-F103 HydrophobicContact CG1-CZ 4.2Å; I67-L293 HydrophobicContact CD1-CD1 3.65Å; I67-L293 HydrophobicContact CG1-CD1 3.95Å
68	L	77.1	Confident	68.7	Low	32 Å²	32	59 Å²	59	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.7	160	162.1	65.4	0	0	0	107.9	Q34 M96 L97 Y98	Q34-L68 HydrophobicContact CB-CD1 3.73Å; Q34-L68 HydrophobicContact CG-CD1 3.97Å; Q34-L68 WeakPolarHBondContact O-CA 3.47Å; Q34-L68 VanDerWaalsContact O-CB 3.25Å; Q34-L68 WeakPolarHBondContact O-CB 3.49Å; Q34-L68 WeakPolarHBondContact O-CD1 3.24Å; L68-M96 HydrophobicContact CD1-CE 4.13Å; L68-M96 HydrophobicContact CD2-CE 3.84Å; L68-M96 HydrophobicContact CD2-SD 4.19Å; L68-M96 HydrophobicContact CG-CE 4.08Å; L68-L97 WeakPolarHBondContact O-CA 3.26Å; L68-Y98 HydrophobicContact CB-CD1 4.29Å; L68-Y98 HydrophobicContact CD2-CD1 4.11Å; L68-Y98 HydrophobicContact CD2-CG 4.39Å; L68-Y98 PolarHBondContact N-O 3.44Å; L68-Y98 PolarHBondContact O-N 3.03Å
69	C	76.9	Confident	67.1	Low	10 Å²	10	57.1 Å²	57.1	7%	0.068	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.2	173.5	-178	0	0	0	0	108.8	F45 I67 M96 L97	F45-C69 HydrophobicContact CD1-CB 4.44Å; F45-C69 HydrophobicContact CE1-CB 3.41Å; F45-C69 VanDerWaalsContact CE1-CB 3.41Å; F45-C69 HydrophobicContact CZ-CB 3.67Å; I67-C69 HydrophobicContact CG2-CB 4.39Å; C69-M96 WeakPolarHBondContact CA-O 3.4Å; C69-L97 HydrophobicContact CB-CD2 3.77Å
70	G	69.7	Low	65.5	Low	13 Å²	13	60.1 Å²	60.1	13%	0.134	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	151.3	172	0	0	0	0	0	111.6	H95 M96	G70-H95 WeakPolarHBondContact O-CA 3.47Å; G70-M96 PolarHBondContact N-O 3.44Å; G70-M96 PolarHBondContact O-N 3.13Å
71	A	71.4	Confident	64.4	Low	24 Å²	24	61.1 Å²	61.1	20%	0.198	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	149	166.3	0	0	0	0	0	110.3	H49 E93 V94	H49-A71 WeakPolarHBondContact NE2-CB 3.4Å; A71-E93 HydrophobicContact CB-CB 3.88Å; A71-E93 HydrophobicContact CB-CG 4.32Å; A71-V94 CarbonylContact C-O 3.4Å; A71-V94 WeakPolarHBondContact CA-O 3.32Å
72	F	60.8	Low	63.6	Low	34 Å²	34	60.4 Å²	60.4	15%	0.149	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-76	138.3	167.3	-73.9	-82	0	0	0	110.6	A76 R77 I80 V94 M96	F72-A76 HydrophobicContact CB-CB 4.28Å; F72-A76 HydrophobicContact CD1-CB 4.15Å; F72-R77 HydrophobicContact CB-CG 4.35Å; F72-R77 PolarHBondContact O-NE 3.05Å; F72-R77 PolarHBondContact O-NH2 3.4Å; F72-I80 HydrophobicContact CD1-CD1 3.68Å; F72-I80 HydrophobicContact CD2-CG2 4.48Å; F72-I80 HydrophobicContact CE1-CD1 3.41Å; F72-I80 VanDerWaalsContact CE1-CD1 3.41Å; F72-I80 HydrophobicContact CE2-CG2 4.17Å; F72-I80 HydrophobicContact CG-CD1 4.46Å; F72-I80 HydrophobicContact CZ-CD1 3.99Å; F72-I80 HydrophobicContact CZ-CG2 4.23Å; F72-V94 HydrophobicContact CD2-CB 4.05Å; F72-V94 HydrophobicContact CD2-CG1 3.73Å; F72-V94 WeakPolarHBondContact CD2-O 3.48Å; F72-V94 HydrophobicContact CE2-CG1 4.22Å; F72-V94 PolarHBondContact N-O 3.41Å; F72-M96 HydrophobicContact CE2-CB 3.79Å; F72-M96 HydrophobicContact CZ-CB 4.05Å; F72-M96 HydrophobicContact CZ-SD 4.46Å
73	P	50.5	Low	63	Low	74 Å²	74	68.8 Å²	68.8	48%	0.481	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-63.6	156.3	173.5	28.8	-35.5	0	0	0	110.9	T75 A76 R77	P73-T75 PolarHBondContact O-N 2.92Å; P73-T75 VanDerWaalsContact O-N 3.13Å; P73-A76 HydrophobicContact CG-CB 3.96Å; P73-A76 PolarHBondContact O-N 3.49Å; P73-R77 PolarHBondContact O-N 3.33Å
74	S	50.8	Low	62.3	Low	31 Å²	31	60.6 Å²	60.6	22%	0.217	33%	0.33	C	S	.	.	H	α-helix	trans	-46	-45.2	-178.3	54.6	0	0	0	0	112.8	A76 R77 E598	S74-A76 PolarHBondContact O-N 3.42Å; S74-R77 PolarHBondContact O-N 2.74Å; S74-E598 PolarHBondContact OG-OE1 3.2Å; S74-E598 PolarHBondContact OG-OE2 2.88Å
75	T	43.9	Very low	61.4	Low	106 Å²	106	53 Å²	53	65%	0.65	31%	0.31	S	S	*	.	H	α-helix	trans	-62.7	-29.7	178.4	53.2	0	0	0	0	115.5	P73	P73-T75 PolarHBondContact O-N 2.92Å; P73-T75 VanDerWaalsContact O-N 3.13Å
76	A	47.2	Very low	60.2	Low	24 Å²	24	54.1 Å²	54.1	20%	0.198	32%	0.318	C	S	.	.	H	α-helix	trans	-85.8	-21.6	-179.8	0	0	0	0	0	112.8	F72 P73 S74 G78 V79 I80	F72-A76 HydrophobicContact CB-CB 4.28Å; F72-A76 HydrophobicContact CD1-CB 4.15Å; P73-A76 HydrophobicContact CG-CB 3.96Å; P73-A76 PolarHBondContact O-N 3.49Å; S74-A76 PolarHBondContact O-N 3.42Å; A76-G78 VanDerWaalsContact C-N 3.3Å; A76-G78 PolarHBondContact O-N 3.47Å; A76-V79 PolarHBondContact O-N 3.04Å; A76-V79 VanDerWaalsContact O-N 3.14Å; A76-I80 HydrophobicContact CB-CD1 4.42Å; A76-I80 PolarHBondContact O-N 2.84Å
77	R	53.8	Low	59.3	Low	43 Å²	43	50 Å²	50	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-34	-179.3	-63.3	169.6	-155.3	-179.7	-1	112.4	F72 P73 S74 V79 I80 G81 E93 V94	F72-R77 HydrophobicContact CB-CG 4.35Å; F72-R77 PolarHBondContact O-NE 3.05Å; F72-R77 PolarHBondContact O-NH2 3.4Å; P73-R77 PolarHBondContact O-N 3.33Å; S74-R77 PolarHBondContact O-N 2.74Å; R77-V79 PolarHBondContact O-N 2.86Å; R77-I80 PolarHBondContact O-N 3.12Å; R77-G81 WeakPolarHBondContact O-CA 3.22Å; R77-G81 PolarHBondContact O-N 3.43Å; R77-E93 VanDerWaalsContact CZ-CD 3.47Å; R77-E93 IonicContact CZ-OE1 2.87Å; R77-E93 VanDerWaalsContact CZ-OE1 3.28Å; R77-E93 IonicContact CZ-OE2 3.89Å; R77-E93 VanDerWaalsContact NH1-CD 3.29Å; R77-E93 IonicContact NH1-OE1 2.95Å; R77-E93 PolarHBondContact NH1-OE1 2.81Å; R77-E93 IonicContact NH1-OE2 2.68Å; R77-E93 PolarHBondContact NH1-OE2 3.47Å; R77-E93 IonicContact NH2-OE1 2.71Å; R77-E93 PolarHBondContact NH2-OE1 2.96Å; R77-E93 IonicContact NH2-OE2 2.83Å; R77-E93 PolarHBondContact NH2-OE2 3.11Å; R77-V94 HydrophobicContact CG-CG2 4.22Å
78	G	47.5	Very low	58.5	Low	80 Å²	80	53.7 Å²	53.7	83%	0.825	32%	0.323	S	S	*	.	H	α-helix	trans	-64.8	-13.8	175.9	0	0	0	0	0	114.9	A76	A76-G78 VanDerWaalsContact C-N 3.3Å; A76-G78 PolarHBondContact O-N 3.47Å
79	V	52.7	Low	58	Low	131 Å²	131	55.4 Å²	55.4	79%	0.794	33%	0.327	S	S	*	.	H	α-helix	trans	-108.4	-36.3	177.6	-176.4	0	0	0	0	111.9	A76 R77	A76-V79 PolarHBondContact O-N 3.04Å; A76-V79 VanDerWaalsContact O-N 3.14Å; R77-V79 PolarHBondContact O-N 2.86Å
80	I	55.3	Low	57.6	Low	63 Å²	63	57.8 Å²	57.8	32%	0.323	34%	0.338	S	S	.	.	H	α-helix	trans	-100.9	-24.5	-171.3	-62.1	174	0	0	0	112.4	F72 A76 R77 W195	F72-I80 HydrophobicContact CD1-CD1 3.68Å; F72-I80 HydrophobicContact CD2-CG2 4.48Å; F72-I80 HydrophobicContact CE1-CD1 3.41Å; F72-I80 VanDerWaalsContact CE1-CD1 3.41Å; F72-I80 HydrophobicContact CE2-CG2 4.17Å; F72-I80 HydrophobicContact CG-CD1 4.46Å; F72-I80 HydrophobicContact CZ-CD1 3.99Å; F72-I80 HydrophobicContact CZ-CG2 4.23Å; A76-I80 HydrophobicContact CB-CD1 4.42Å; A76-I80 PolarHBondContact O-N 2.84Å; R77-I80 PolarHBondContact O-N 3.12Å; I80-W195 VanDerWaalsContact O-CZ2 3.31Å; I80-W195 WeakPolarHBondContact O-CZ2 3.48Å; I80-W195 PolarHBondContact O-NE1 3.42Å; I80-W195 VanDerWaalsContact O-NE1 3.16Å
81	G	61.3	Low	58	Low	22 Å²	22	57.2 Å²	57.2	23%	0.227	33%	0.332	C	S	.	.	S	Bend	trans	-67.1	158.5	-176.5	0	0	0	0	0	113.6	R77	R77-G81 WeakPolarHBondContact O-CA 3.22Å; R77-G81 PolarHBondContact O-N 3.43Å
82	P	63.1	Low	58.3	Low	16 Å²	16	56.2 Å²	56.2	10%	0.104	32%	0.324	C	S	.	.			trans	-65.5	142.8	174.8	29	-35.6	0	0	0	111.1	L84 L186 W195 V298	P82-L84 HydrophobicContact CB-CD2 4.03Å; P82-L84 HydrophobicContact CG-CD2 3.79Å; P82-L84 HydrophobicContact CG-CG 4.18Å; P82-L84 PolarHBondContact O-N 3.36Å; P82-L84 VanDerWaalsContact O-N 3.16Å; P82-L186 HydrophobicContact CB-CD1 3.83Å; P82-L186 HydrophobicContact CG-CD1 3.95Å; P82-W195 HydrophobicContact CB-CB 4.32Å; P82-W195 HydrophobicContact CB-CD2 3.99Å; P82-W195 HydrophobicContact CB-CG 3.8Å; P82-W195 HydrophobicContact CG-CD2 4.45Å; P82-V298 HydrophobicContact CG-CG1 3.85Å
83	W	62.2	Low	59	Low	212 Å²	212	57.6 Å²	57.6	80%	0.803	33%	0.33	S	S	*	.			trans	-69	109.3	165.3	-118.4	81.8	0	0	0	108.9
84	L	58.2	Low	60.1	Low	45 Å²	45	54 Å²	54	24%	0.236	31%	0.307	C	S	.	.			trans	-95	145.4	-178.4	-62.6	-175.4	0	0	0	111.2	P82 M88 R89 M90 L186 V300	P82-L84 HydrophobicContact CB-CD2 4.03Å; P82-L84 HydrophobicContact CG-CD2 3.79Å; P82-L84 HydrophobicContact CG-CG 4.18Å; P82-L84 PolarHBondContact O-N 3.36Å; P82-L84 VanDerWaalsContact O-N 3.16Å; L84-M88 HydrophobicContact CB-CB 4.16Å; L84-M88 HydrophobicContact CD2-CB 4.49Å; L84-R89 VanDerWaalsContact CD1-C 3.5Å; L84-M90 HydrophobicContact CD1-CG 4.2Å; L84-L186 HydrophobicContact CD2-CD1 4.31Å; L84-V300 HydrophobicContact CD1-CG1 4.31Å; L84-V300 HydrophobicContact CD1-CG2 4.38Å; L84-V300 HydrophobicContact CD2-CG1 3.95Å; L84-V300 HydrophobicContact CD2-CG2 3.91Å
85	G	52.1	Low	61.5	Low	29 Å²	29	52.8 Å²	52.8	30%	0.299	30%	0.298	S	S	.	.			trans	-71.4	158.8	168.1	0	0	0	0	0	111.1	D87 M88	G85-D87 PolarHBondContact O-N 2.9Å; G85-D87 VanDerWaalsContact O-N 3.09Å; G85-M88 WeakPolarHBondContact O-CA 3.25Å; G85-M88 WeakPolarHBondContact O-CB 3.49Å; G85-M88 PolarHBondContact O-N 3.46Å; G85-M88 VanDerWaalsContact O-O 3.08Å
86	P	50.7	Low	63.4	Low	32 Å²	32	49.8 Å²	49.8	21%	0.208	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.6	-177.3	26.7	-35.4	0	0	0	113.5	M88 K455 Y567	P86-M88 VanDerWaalsContact C-N 3.28Å; P86-K455 HydrophobicContact CG-CB 3.77Å; P86-K455 HydrophobicContact CG-CD 4.06Å; P86-Y567 HydrophobicContact CB-CD1 3.82Å; P86-Y567 HydrophobicContact CB-CE1 4.11Å; P86-Y567 HydrophobicContact CB-CG 4.11Å; P86-Y567 WeakPolarHBondContact O-CD1 3.43Å; P86-Y567 WeakPolarHBondContact O-CE1 3.36Å
87	D	60.6	Low	65.2	Low	27 Å²	27	48.7 Å²	48.7	14%	0.144	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	10.3	172.8	72.1	-50.8	0	0	0	113.9	G85 S302 T303 K344 Y567	G85-D87 PolarHBondContact O-N 2.9Å; G85-D87 VanDerWaalsContact O-N 3.09Å; D87-S302 CarbonylContact O-C 3.54Å; D87-S302 WeakPolarHBondContact O-CA 3.48Å; D87-T303 PolarHBondContact O-N 2.99Å; D87-T303 PolarHBondContact O-OG1 3.29Å; D87-K344 IonicContact OD2-NZ 2.67Å; D87-K344 PolarHBondContact OD2-NZ 3.04Å; D87-Y567 HydrophobicContact CB-CE1 4.39Å
88	M	63.5	Low	66.6	Low	80 Å²	80	51.3 Å²	51.3	39%	0.394	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148	-177	-57.9	-172.8	-175.5	0	0	112.2	L84 G85 P86 V300	L84-M88 HydrophobicContact CB-CB 4.16Å; L84-M88 HydrophobicContact CD2-CB 4.49Å; G85-M88 WeakPolarHBondContact O-CA 3.25Å; G85-M88 WeakPolarHBondContact O-CB 3.49Å; G85-M88 PolarHBondContact O-N 3.46Å; G85-M88 VanDerWaalsContact O-O 3.08Å; P86-M88 VanDerWaalsContact C-N 3.28Å; M88-V300 HydrophobicContact CB-CG1 3.91Å; M88-V300 HydrophobicContact CG-CG1 4.44Å; M88-V300 HydrophobicContact SD-CG1 4.36Å
89	R	65.2	Low	68.3	Low	67 Å²	67	47.9 Å²	47.9	25%	0.253	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.6	172.8	51.5	146.7	-178.1	-101.4	-27.7	111.1	L84 E120 V300 N301	L84-R89 VanDerWaalsContact CD1-C 3.5Å; R89-E120 VanDerWaalsContact CZ-CD 3.47Å; R89-E120 IonicContact CZ-OE1 2.75Å; R89-E120 VanDerWaalsContact CZ-OE1 3.24Å; R89-E120 IonicContact CZ-OE2 2.78Å; R89-E120 IonicContact NH1-OE1 3.62Å; R89-E120 PolarHBondContact NH1-OE1 3.06Å; R89-E120 IonicContact NH1-OE2 3.31Å; R89-E120 PolarHBondContact NH1-OE2 2.94Å; R89-E120 IonicContact NH2-OE1 2.72Å; R89-E120 PolarHBondContact NH2-OE1 3Å; R89-E120 IonicContact NH2-OE2 2.64Å; R89-E120 PolarHBondContact NH2-OE2 3.4Å; R89-V300 CarbonylContact O-C 3.53Å; R89-V300 VanDerWaalsContact O-CA 3.28Å; R89-V300 WeakPolarHBondContact O-CA 3.27Å; R89-V300 WeakPolarHBondContact O-CG1 3.49Å; R89-N301 PolarHBondContact N-O 2.89Å; R89-N301 VanDerWaalsContact N-O 3.16Å; R89-N301 PolarHBondContact NH2-ND2 3.07Å; R89-N301 PolarHBondContact O-N 3.19Å
90	M	69.8	Low	69.5	Low	61 Å²	61	44.9 Å²	44.9	30%	0.3	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	146.2	170.7	-64.2	-175.2	-66.7	0	0	111	L84 V94 V298 L299	L84-M90 HydrophobicContact CD1-CG 4.2Å; M90-V94 HydrophobicContact SD-CG2 3.83Å; M90-V298 HydrophobicContact CB-CG2 4.31Å; M90-V298 HydrophobicContact CG-CG2 3.94Å; M90-V298 HydrophobicContact SD-CG2 4.17Å; M90-L299 CarbonylContact C-O 3.58Å
91	A	76.7	Confident	70.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-130.5	-3.4	-179.7	0	0	0	0	0	112.8	F113 S114 A117 L299 N301	A91-F113 HydrophobicContact CB-CD1 4.32Å; A91-F113 CarbonylContact O-C 3.58Å; A91-F113 WeakPolarHBondContact O-CA 3.36Å; A91-S114 PolarHBondContact O-N 3.22Å; A91-A117 HydrophobicContact CB-CB 3.8Å; A91-A117 WeakPolarHBondContact O-CB 3.43Å; A91-L299 HydrophobicContact CB-CB 4.06Å; A91-L299 PolarHBondContact N-O 3.26Å; A91-N301 HydrophobicContact CB-CB 3.71Å
92	S	78.7	Confident	72	Confident	4 Å²	4	50 Å²	50	3%	0.028	24%	0.239	C	C	.	.	S	Bend	trans	-139.4	175.2	162.6	70.8	0	0	0	0	107.5	P112 L299	S92-P112 VanDerWaalsContact CB-O 3.29Å; S92-P112 WeakPolarHBondContact CB-O 3.38Å; S92-L299 PolarHBondContact N-O 3.25Å; S92-L299 PolarHBondContact OG-N 2.79Å
93	E	74.8	Confident	73.2	Confident	62 Å²	62	49.4 Å²	49.4	29%	0.29	24%	0.235	S	C	.	.			trans	-68.5	162.1	163.2	-52	-70.4	-123	0	0	110.5	A71 R77 H95	A71-E93 HydrophobicContact CB-CB 3.88Å; A71-E93 HydrophobicContact CB-CG 4.32Å; R77-E93 VanDerWaalsContact CZ-CD 3.47Å; R77-E93 IonicContact CZ-OE1 2.87Å; R77-E93 VanDerWaalsContact CZ-OE1 3.28Å; R77-E93 IonicContact CZ-OE2 3.89Å; R77-E93 VanDerWaalsContact NH1-CD 3.29Å; R77-E93 IonicContact NH1-OE1 2.95Å; R77-E93 PolarHBondContact NH1-OE1 2.81Å; R77-E93 IonicContact NH1-OE2 2.68Å; R77-E93 PolarHBondContact NH1-OE2 3.47Å; R77-E93 IonicContact NH2-OE1 2.71Å; R77-E93 PolarHBondContact NH2-OE1 2.96Å; R77-E93 IonicContact NH2-OE2 2.83Å; R77-E93 PolarHBondContact NH2-OE2 3.11Å; E93-H95 PolarHBondContact O-CD2 2.59Å; E93-H95 PolarHBondContact O-N 3.35Å
94	V	73.3	Confident	74.5	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.			trans	-76.9	111.6	167.1	-171.6	0	0	0	0	107.8	A71 F72 R77 M90 W195 C296 V298	A71-V94 CarbonylContact C-O 3.4Å; A71-V94 WeakPolarHBondContact CA-O 3.32Å; F72-V94 HydrophobicContact CD2-CB 4.05Å; F72-V94 HydrophobicContact CD2-CG1 3.73Å; F72-V94 WeakPolarHBondContact CD2-O 3.48Å; F72-V94 HydrophobicContact CE2-CG1 4.22Å; F72-V94 PolarHBondContact N-O 3.41Å; R77-V94 HydrophobicContact CG-CG2 4.22Å; M90-V94 HydrophobicContact SD-CG2 3.83Å; V94-W195 HydrophobicContact CG1-CH2 3.94Å; V94-W195 HydrophobicContact CG1-CZ2 4.27Å; V94-C296 HydrophobicContact CG1-CB 4.41Å; V94-V298 HydrophobicContact CG2-CB 4.19Å; V94-V298 HydrophobicContact CG2-CG2 4.01Å
95	H	81.7	Confident	76	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.019	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.3	-177	-62.8	-70.4	0	0	0	111.3	V51 G70 E93 C296 Y297	V51-H95 VanDerWaalsContact CG2-CE1 3.49Å; V51-H95 WeakPolarHBondContact CG2-CE1 3.49Å; G70-H95 WeakPolarHBondContact O-CA 3.47Å; E93-H95 PolarHBondContact O-CD2 2.59Å; E93-H95 PolarHBondContact O-N 3.35Å; H95-C296 CarbonylContact O-C 3.45Å; H95-C296 WeakPolarHBondContact O-CA 3.31Å; H95-Y297 PolarHBondContact N-O 3.18Å; H95-Y297 PolarHBondContact O-N 3.07Å
96	M	83	Confident	77.9	Confident	44 Å²	44	51.2 Å²	51.2	22%	0.217	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.5	167.7	173.1	173.5	57.3	0	0	109.8	L68 C69 G70 F72 L190	L68-M96 HydrophobicContact CD1-CE 4.13Å; L68-M96 HydrophobicContact CD2-CE 3.84Å; L68-M96 HydrophobicContact CD2-SD 4.19Å; L68-M96 HydrophobicContact CG-CE 4.08Å; C69-M96 WeakPolarHBondContact CA-O 3.4Å; G70-M96 PolarHBondContact N-O 3.44Å; G70-M96 PolarHBondContact O-N 3.13Å; F72-M96 HydrophobicContact CE2-CB 3.79Å; F72-M96 HydrophobicContact CZ-CB 4.05Å; F72-M96 HydrophobicContact CZ-SD 4.46Å; M96-L190 HydrophobicContact CG-CD1 4.11Å; M96-L190 HydrophobicContact CG-CD2 4.06Å; M96-L190 HydrophobicContact SD-CD1 4.4Å; M96-L190 HydrophobicContact SD-CD2 4.05Å
97	L	84.5	Confident	79.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.2	171.5	-79.5	167.4	0	0	0	110.7	V53 L68 C69 V109 L293 N294 H295 Y297	V53-L97 HydrophobicContact CG2-CD2 3.99Å; L68-L97 WeakPolarHBondContact O-CA 3.26Å; C69-L97 HydrophobicContact CB-CD2 3.77Å; L97-V109 HydrophobicContact CD1-CG1 3.43Å; L97-V109 VanDerWaalsContact CD1-CG1 3.43Å; L97-V109 HydrophobicContact CD1-CG2 4.35Å; L97-L293 HydrophobicContact CB-CD2 4.35Å; L97-L293 CarbonylContact O-C 3.56Å; L97-L293 VanDerWaalsContact O-C 3.27Å; L97-N294 WeakPolarHBondContact O-CA 3.38Å; L97-N294 PolarHBondContact O-N 2.74Å; L97-H295 PolarHBondContact N-O 2.91Å; L97-H295 PolarHBondContact O-N 2.9Å; L97-H295 VanDerWaalsContact O-N 3.1Å; L97-Y297 HydrophobicContact CB-CD2 4.36Å; L97-Y297 HydrophobicContact CB-CE2 4.24Å; L97-Y297 HydrophobicContact CD1-CD2 3.91Å; L97-Y297 HydrophobicContact CD1-CE2 4.05Å
98	Y	83.4	Confident	81.4	Confident	99 Å²	99	48.8 Å²	48.8	39%	0.388	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.9	-174.7	177.3	-98.3	0	0	0	113.3	L68 P100 L190 L293	L68-Y98 HydrophobicContact CB-CD1 4.29Å; L68-Y98 HydrophobicContact CD2-CD1 4.11Å; L68-Y98 HydrophobicContact CD2-CG 4.39Å; L68-Y98 PolarHBondContact N-O 3.44Å; L68-Y98 PolarHBondContact O-N 3.03Å; Y98-P100 HydrophobicContact CE1-CB 4.29Å; Y98-L190 HydrophobicContact CD2-CD1 3.82Å; Y98-L190 HydrophobicContact CG-CD1 4.26Å; Y98-L293 CarbonylContact C-O 3.57Å; Y98-L293 VanDerWaalsContact CA-O 3.28Å; Y98-L293 WeakPolarHBondContact CA-O 3.39Å
99	S	83	Confident	82.8	Confident	7 Å²	7	45 Å²	45	5%	0.049	21%	0.21	C	C	.	.			trans	-133.5	137.5	163.9	171.1	0	0	0	0	108.2	R66 V101 L293	R66-S99 VanDerWaalsContact O-CA 3.23Å; R66-S99 WeakPolarHBondContact O-CA 3.15Å; R66-S99 WeakPolarHBondContact O-CB 3.18Å; R66-S99 PolarHBondContact O-OG 3.3Å; S99-V101 PolarHBondContact O-N 2.79Å; S99-V101 VanDerWaalsContact O-N 3.15Å; S99-V101 PolarHBondContact OG-N 2.93Å; S99-V101 PolarHBondContact OG-O 3.34Å; S99-L293 PolarHBondContact N-O 3.17Å
100	P	78.3	Confident	84.2	Confident	69 Å²	69	41.8 Å²	41.8	45%	0.448	20%	0.198	S	C	.	.	S	Bend	trans	-70.8	-4.6	177.2	31	-36.8	0	0	0	113.7	R64 Y98	R64-P100 WeakPolarHBondContact O-CG 3.44Å; Y98-P100 HydrophobicContact CE1-CB 4.29Å
101	V	82	Confident	85.2	Confident	54 Å²	54	39 Å²	39	33%	0.327	18%	0.183	S	C	.	.	S	Bend	trans	-143.4	139	-179.9	-168.2	0	0	0	0	110.4	R64 S99	R64-V101 HydrophobicContact CB-CG2 3.72Å; S99-V101 PolarHBondContact O-N 2.79Å; S99-V101 VanDerWaalsContact O-N 3.15Å; S99-V101 PolarHBondContact OG-N 2.93Å; S99-V101 PolarHBondContact OG-O 3.34Å
102	R	87	Confident	85.8	Confident	137 Å²	137	39.3 Å²	39.3	52%	0.517	19%	0.186	S	C	.	.			trans	-61.4	137.8	170	-175.9	174.7	-178.5	143.5	-10.9	111.1	E291 E292	R102-E291 HydrophobicContact CG-CB 3.88Å; R102-E291 WeakPolarHBondContact CG-O 3.49Å; R102-E291 IonicContact CZ-OE2 2.77Å; R102-E291 IonicContact NE-OE2 2.73Å; R102-E291 PolarHBondContact NE-OE2 3.47Å; R102-E291 IonicContact NH2-OE2 3.24Å; R102-E291 PolarHBondContact NH2-OE2 3.41Å; R102-E292 HydrophobicContact CB-CG 4Å; R102-E292 HydrophobicContact CG-CG 3.69Å; R102-E292 IonicContact CZ-OE1 3.19Å; R102-E292 IonicContact NE-OE1 3.22Å; R102-E292 IonicContact NH1-OE1 2.79Å; R102-E292 PolarHBondContact NH1-OE1 2.79Å
103	F	89.3	Confident	86	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.022	19%	0.185	C	C	.	.			trans	-76	153.6	176.2	-67.4	-88	0	0	0	111.2	I55 E65 I67 M105 V107 E291 L293	I55-F103 HydrophobicContact CD1-CE1 4.28Å; I55-F103 HydrophobicContact CD1-CZ 4.49Å; I55-F103 HydrophobicContact CG2-CD1 4.35Å; I55-F103 HydrophobicContact CG2-CE1 4.29Å; E65-F103 HydrophobicContact CB-CE1 4.06Å; E65-F103 HydrophobicContact CG-CE1 4.4Å; I67-F103 HydrophobicContact CD1-CZ 4.34Å; I67-F103 HydrophobicContact CG1-CZ 4.2Å; F103-M105 WeakPolarHBondContact CB-O 3.3Å; F103-M105 PolarHBondContact O-N 3.02Å; F103-V107 HydrophobicContact CB-CG1 4.11Å; F103-V107 HydrophobicContact CD1-CG1 4Å; F103-V107 HydrophobicContact CD2-CG1 3.96Å; F103-V107 HydrophobicContact CD2-CG2 4.38Å; F103-V107 HydrophobicContact CE1-CG1 4.44Å; F103-V107 HydrophobicContact CE2-CG1 4.42Å; F103-V107 HydrophobicContact CG-CG1 3.74Å; F103-E291 PolarHBondContact N-O 3.25Å; F103-L293 HydrophobicContact CE2-CD1 3.82Å; F103-L293 HydrophobicContact CE2-CG 4.06Å; F103-L293 HydrophobicContact CZ-CD1 4.43Å
104	R	88.9	Confident	86.1	Confident	182 Å²	182	38.1 Å²	38.1	69%	0.687	18%	0.184	S	C	*	.	S	Bend	trans	-75.8	-11.6	-179.8	-68.2	-179.4	161.4	-156.1	-7.2	114.4	A59 T61	A59-R104 WeakPolarHBondContact O-CB 3.48Å; A59-R104 PolarHBondContact O-N 2.9Å; T61-R104 VanDerWaalsContact CG2-NE 3.34Å
105	M	90	Very high	86.2	Confident	84 Å²	84	39.1 Å²	39.1	41%	0.414	19%	0.188	S	C	.	.	S	Bend	trans	-146.9	151.9	-179.2	-60.4	172.6	64.1	0	0	106.6	P56 A59 F103 V107	P56-M105 HydrophobicContact CB-CE 4.47Å; P56-M105 HydrophobicContact CG-CB 4.38Å; P56-M105 HydrophobicContact CG-CE 4.43Å; A59-M105 HydrophobicContact CB-CB 3.95Å; A59-M105 HydrophobicContact CB-CG 4.46Å; F103-M105 WeakPolarHBondContact CB-O 3.3Å; F103-M105 PolarHBondContact O-N 3.02Å; M105-V107 PolarHBondContact O-N 2.92Å
106	P	90.8	Very high	85.4	Confident	58 Å²	58	39 Å²	39	38%	0.377	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-56.5	131.9	173.6	-24.4	33.4	0	0	0	111.6	P56 T290 E291	P56-P106 WeakPolarHBondContact CG-O 3.25Å; P106-T290 CarbonylContact C-O 3.52Å; P106-T290 WeakPolarHBondContact CA-O 3.47Å; P106-E291 HydrophobicContact CB-CG 4.4Å; P106-E291 HydrophobicContact CG-CG 3.98Å
107	V	92.2	Very high	84.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.3	166.7	-58.5	0	0	0	0	108.8	V53 I55 F103 M105 V109 Y289 T290 L293	V53-V107 HydrophobicContact CG1-CB 4.26Å; V53-V107 HydrophobicContact CG1-CG2 4.09Å; I55-V107 HydrophobicContact CB-CG1 4.29Å; I55-V107 HydrophobicContact CG1-CG1 4.13Å; I55-V107 HydrophobicContact CG2-CG1 4.01Å; F103-V107 HydrophobicContact CB-CG1 4.11Å; F103-V107 HydrophobicContact CD1-CG1 4Å; F103-V107 HydrophobicContact CD2-CG1 3.96Å; F103-V107 HydrophobicContact CD2-CG2 4.38Å; F103-V107 HydrophobicContact CE1-CG1 4.44Å; F103-V107 HydrophobicContact CE2-CG1 4.42Å; F103-V107 HydrophobicContact CG-CG1 3.74Å; M105-V107 PolarHBondContact O-N 2.92Å; V107-V109 HydrophobicContact CG2-CG2 4.43Å; V107-Y289 WeakPolarHBondContact O-CA 3.28Å; V107-T290 HydrophobicContact CG2-CG2 4.31Å; V107-T290 WeakPolarHBondContact CG2-O 3.27Å; V107-T290 PolarHBondContact N-O 3.13Å; V107-T290 PolarHBondContact O-N 3.49Å; V107-L293 HydrophobicContact CG2-CD1 4.29Å; V107-L293 HydrophobicContact CG2-CD2 4.08Å; V107-L293 HydrophobicContact CG2-CG 4.2Å
108	A	92.7	Very high	84.5	Confident	8 Å²	8	37.1 Å²	37.1	7%	0.066	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.4	174.8	0	0	0	0	0	109.4	V53 E54 Y287 I288 Y289	V53-A108 CarbonylContact C-O 3.42Å; V53-A108 WeakPolarHBondContact CA-O 3.16Å; E54-A108 HydrophobicContact CB-CB 4.31Å; E54-A108 PolarHBondContact N-O 3.14Å; E54-A108 PolarHBondContact O-N 3.25Å; A108-Y287 HydrophobicContact CB-CD1 4.21Å; A108-Y287 HydrophobicContact CB-CE1 4.44Å; A108-I288 CarbonylContact C-O 3.6Å; A108-I288 WeakPolarHBondContact CA-O 3.32Å; A108-Y289 HydrophobicContact CB-CD1 3.95Å; A108-Y289 HydrophobicContact CB-CE1 3.66Å
109	V	93.6	Very high	83.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.3	178.5	177.5	0	0	0	0	108.5	K52 V53 L97 V107 I111 Y287 I288 T290 L293	K52-V109 CarbonylContact O-C 3.59Å; K52-V109 WeakPolarHBondContact O-CA 3.41Å; V53-V109 HydrophobicContact CG1-CG2 4.12Å; V53-V109 HydrophobicContact CG2-CG1 4.43Å; V53-V109 HydrophobicContact CG2-CG2 4.23Å; L97-V109 HydrophobicContact CD1-CG1 3.43Å; L97-V109 VanDerWaalsContact CD1-CG1 3.43Å; L97-V109 HydrophobicContact CD1-CG2 4.35Å; V107-V109 HydrophobicContact CG2-CG2 4.43Å; V109-I111 HydrophobicContact CG1-CG1 4.21Å; V109-Y287 CarbonylContact O-C 3.27Å; V109-Y287 VanDerWaalsContact O-CA 3.27Å; V109-Y287 WeakPolarHBondContact O-CA 3.34Å; V109-I288 HydrophobicContact CB-CD1 4.37Å; V109-I288 HydrophobicContact CB-CG1 3.81Å; V109-I288 HydrophobicContact CG1-CG1 4.44Å; V109-I288 PolarHBondContact N-O 2.65Å; V109-I288 PolarHBondContact O-N 3.5Å; V109-T290 HydrophobicContact CG2-CG2 4.18Å; V109-L293 HydrophobicContact CG2-CD2 3.78Å
110	F	93.9	Very high	83.1	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.1	170.5	178.3	-109.2	0	0	0	110.5	V51 K52 P112 V204 E280 V286 Y287	V51-F110 WeakPolarHBondContact CA-O 3.35Å; V51-F110 VanDerWaalsContact CG1-O 3.31Å; V51-F110 WeakPolarHBondContact CG1-O 3.43Å; K52-F110 HydrophobicContact CB-CB 3.84Å; K52-F110 HydrophobicContact CD-CD1 4.36Å; K52-F110 HydrophobicContact CG-CB 4.37Å; K52-F110 HydrophobicContact CG-CD1 4.15Å; K52-F110 PolarHBondContact N-O 3.36Å; K52-F110 VanDerWaalsContact N-O 3.07Å; K52-F110 PolarHBondContact O-N 2.96Å; F110-P112 HydrophobicContact CE1-CB 3.75Å; F110-P112 HydrophobicContact CE1-CG 4.36Å; F110-P112 HydrophobicContact CZ-CB 4.11Å; F110-V204 HydrophobicContact CD2-CG2 4.06Å; F110-V204 HydrophobicContact CE2-CB 3.98Å; F110-V204 HydrophobicContact CE2-CG1 4.46Å; F110-V204 HydrophobicContact CE2-CG2 3.77Å; F110-E280 HydrophobicContact CE1-CB 3.72Å; F110-E280 HydrophobicContact CE1-CG 4.09Å; F110-E280 HydrophobicContact CE2-CB 4.49Å; F110-E280 HydrophobicContact CE2-CG 3.99Å; F110-E280 HydrophobicContact CZ-CB 3.73Å; F110-E280 HydrophobicContact CZ-CG 3.71Å; F110-V286 CarbonylContact C-O 3.59Å; F110-V286 WeakPolarHBondContact CA-O 3.5Å; F110-Y287 HydrophobicContact CB-CD1 4Å; F110-Y287 HydrophobicContact CB-CE1 3.6Å; F110-Y287 HydrophobicContact CB-CE2 4.28Å; F110-Y287 AromaticContact CD2-CD2 3.94Å; F110-Y287 HydrophobicContact CD2-CD2 3.94Å; F110-Y287 AromaticContact CD2-CE2 3.71Å; F110-Y287 HydrophobicContact CD2-CE2 3.71Å; F110-Y287 HydrophobicContact CD2-CG 4.39Å; F110-Y287 HydrophobicContact CG-CE1 4.46Å; F110-Y287 HydrophobicContact CG-CE2 4.3Å
111	I	92	Very high	82.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.6	169.8	-59.7	174.4	0	0	0	107.8	V109 L185 G285 V286 Y297 L299	V109-I111 HydrophobicContact CG1-CG1 4.21Å; I111-L185 HydrophobicContact CD1-CD1 4.15Å; I111-G285 CarbonylContact O-C 3.58Å; I111-G285 VanDerWaalsContact O-CA 3.25Å; I111-G285 WeakPolarHBondContact O-CA 3.47Å; I111-V286 PolarHBondContact N-O 2.94Å; I111-V286 PolarHBondContact O-N 2.81Å; I111-Y297 VanDerWaalsContact CD1-CB 3.42Å; I111-Y297 HydrophobicContact CD1-CD1 4.47Å; I111-Y297 HydrophobicContact CD1-CG 3.96Å; I111-L299 HydrophobicContact CB-CD1 4.3Å; I111-L299 HydrophobicContact CG2-CD1 3.87Å; I111-L299 HydrophobicContact CG2-CG 4.05Å
112	P	89.1	Confident	82.2	Confident	7 Å²	7	30.3 Å²	30.3	5%	0.045	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	155.5	177.4	28.5	-32.5	0	0	0	112	H49 S92 F110 I279	H49-P112 WeakPolarHBondContact O-CG 3.25Å; S92-P112 VanDerWaalsContact CB-O 3.29Å; S92-P112 WeakPolarHBondContact CB-O 3.38Å; F110-P112 HydrophobicContact CE1-CB 3.75Å; F110-P112 HydrophobicContact CE1-CG 4.36Å; F110-P112 HydrophobicContact CZ-CB 4.11Å; P112-I279 HydrophobicContact CB-CG2 3.57Å; P112-I279 HydrophobicContact CG-CG2 4.1Å
113	F	83.7	Confident	80.6	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.018	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-72.8	150.3	161.5	-67	-60.6	0	0	0	110.6	A91 T118 M121 I178 A180 V183 C283 G284 G285 V286 L299	A91-F113 HydrophobicContact CB-CD1 4.32Å; A91-F113 CarbonylContact O-C 3.58Å; A91-F113 WeakPolarHBondContact O-CA 3.36Å; F113-T118 WeakPolarHBondContact CB-OG1 3.18Å; F113-M121 HydrophobicContact CB-CE 4.31Å; F113-M121 HydrophobicContact CD1-CE 3.61Å; F113-M121 HydrophobicContact CD2-CE 3.75Å; F113-M121 HydrophobicContact CE1-CE 3.76Å; F113-M121 HydrophobicContact CE1-SD 4.46Å; F113-M121 HydrophobicContact CE2-CE 3.93Å; F113-M121 HydrophobicContact CG-CE 3.62Å; F113-M121 HydrophobicContact CZ-CE 3.94Å; F113-M121 HydrophobicContact CZ-SD 4.47Å; F113-I178 HydrophobicContact CD2-CD1 3.73Å; F113-I178 HydrophobicContact CE2-CD1 3.63Å; F113-A180 HydrophobicContact CZ-CB 4.36Å; F113-V183 HydrophobicContact CE1-CB 4.33Å; F113-V183 HydrophobicContact CE1-CG1 3.72Å; F113-V183 HydrophobicContact CE1-CG2 3.66Å; F113-V183 HydrophobicContact CZ-CB 4.43Å; F113-V183 HydrophobicContact CZ-CG1 4.03Å; F113-V183 HydrophobicContact CZ-CG2 3.83Å; F113-C283 HydrophobicContact CB-CB 4.4Å; F113-C283 WeakPolarHBondContact O-CB 3.41Å; F113-G284 PolarHBondContact N-O 3.46Å; F113-G284 VanDerWaalsContact N-O 3.16Å; F113-G285 VanDerWaalsContact CD2-CA 3.44Å; F113-G285 VanDerWaalsContact CD2-N 3.32Å; F113-G285 VanDerWaalsContact CE2-CA 3.5Å; F113-V286 HydrophobicContact CE1-CG2 4.46Å; F113-V286 HydrophobicContact CZ-CG2 4.01Å; F113-L299 HydrophobicContact CD1-CD1 3.69Å; F113-L299 HydrophobicContact CE1-CB 4.44Å; F113-L299 HydrophobicContact CE1-CD1 3.65Å; F113-L299 HydrophobicContact CE1-CG 4.5Å; F113-L299 HydrophobicContact CZ-CD1 4.42Å
114	S	76.4	Confident	78.5	Confident	37 Å²	37	33.7 Å²	33.7	26%	0.259	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-65.7	151	164.6	71.1	0	0	0	0	110	A91 A116 A117 T118	A91-S114 PolarHBondContact O-N 3.22Å; S114-A116 VanDerWaalsContact C-N 3.29Å; S114-A116 PolarHBondContact O-N 2.96Å; S114-A117 PolarHBondContact O-N 2.81Å; S114-A117 VanDerWaalsContact O-N 3.1Å; S114-A117 WeakPolarHBondContact OG-CB 2.94Å; S114-A117 PolarHBondContact OG-N 3.32Å; S114-T118 PolarHBondContact O-N 2.9Å; S114-T118 PolarHBondContact O-OG1 3.41Å
115	F	74	Confident	76	Confident	22 Å²	22	27.3 Å²	27.3	10%	0.096	15%	0.154	C	C	.	.	H	α-helix	trans	-55.2	-44.5	-177.4	-70.9	-81.5	0	0	0	111.8	T118 R119 W213 A217 L220 T221 F275 C283	F115-T118 WeakPolarHBondContact O-CB 3.49Å; F115-T118 PolarHBondContact O-N 3.33Å; F115-R119 PolarHBondContact O-N 3.08Å; F115-W213 HydrophobicContact CB-CZ3 4.19Å; F115-W213 HydrophobicContact CD1-CE3 4.05Å; F115-W213 HydrophobicContact CD1-CH2 4.31Å; F115-W213 AromaticContact CD1-CZ3 3.72Å; F115-W213 HydrophobicContact CD1-CZ3 3.72Å; F115-W213 HydrophobicContact CG-CZ3 4.47Å; F115-A217 HydrophobicContact CD1-CB 3.92Å; F115-A217 HydrophobicContact CE1-CB 3.48Å; F115-A217 VanDerWaalsContact CE1-CB 3.48Å; F115-A217 HydrophobicContact CZ-CB 4.19Å; F115-L220 HydrophobicContact CD2-CB 3.71Å; F115-L220 HydrophobicContact CD2-CD1 4.01Å; F115-L220 HydrophobicContact CE2-CB 4.2Å; F115-L220 HydrophobicContact CE2-CD1 3.63Å; F115-L220 HydrophobicContact CG-CB 4.18Å; F115-L220 HydrophobicContact CZ-CD1 4.34Å; F115-T221 HydrophobicContact CB-CG2 4.35Å; F115-F275 HydrophobicContact CE1-CZ 4.3Å; F115-F275 HydrophobicContact CE2-CE1 4.48Å; F115-F275 HydrophobicContact CE2-CZ 4.5Å; F115-F275 AromaticContact CZ-CE1 3.82Å; F115-F275 HydrophobicContact CZ-CE1 3.82Å; F115-F275 AromaticContact CZ-CZ 3.67Å; F115-F275 HydrophobicContact CZ-CZ 3.67Å; F115-C283 WeakPolarHBondContact CD1-SG 3.47Å; F115-C283 WeakPolarHBondContact CE1-SG 3.47Å
116	A	65.4	Low	73.1	Confident	2 Å²	2	27.3 Å²	27.3	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-72.2	-33.1	175.4	0	0	0	0	0	115.1	S114 T118 R119 E120 T224	S114-A116 VanDerWaalsContact C-N 3.29Å; S114-A116 PolarHBondContact O-N 2.96Å; A116-T118 PolarHBondContact O-N 3.37Å; A116-R119 PolarHBondContact O-N 2.92Å; A116-E120 PolarHBondContact O-N 2.94Å; A116-T224 WeakPolarHBondContact CB-O 3.21Å; A116-T224 WeakPolarHBondContact CB-OG1 3.23Å
117	A	72.3	Confident	69.9	Low	4 Å²	4	29.3 Å²	29.3	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-38.5	173.1	0	0	0	0	0	110.9	A91 S114 E120 M121	A91-A117 HydrophobicContact CB-CB 3.8Å; A91-A117 WeakPolarHBondContact O-CB 3.43Å; S114-A117 PolarHBondContact O-N 2.81Å; S114-A117 VanDerWaalsContact O-N 3.1Å; S114-A117 WeakPolarHBondContact OG-CB 2.94Å; S114-A117 PolarHBondContact OG-N 3.32Å; A117-E120 PolarHBondContact O-N 2.98Å; A117-M121 VanDerWaalsContact O-CE 3.29Å; A117-M121 WeakPolarHBondContact O-CE 3.5Å; A117-M121 WeakPolarHBondContact O-CG 3.23Å; A117-M121 PolarHBondContact O-N 3.14Å
118	T	76.9	Confident	66.9	Low	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-50	171.4	-49.6	0	0	0	0	110.9	F113 S114 F115 A116 E120 M121 Y122 I178 P206 W213 C283	F113-T118 WeakPolarHBondContact CB-OG1 3.18Å; S114-T118 PolarHBondContact O-N 2.9Å; S114-T118 PolarHBondContact O-OG1 3.41Å; F115-T118 WeakPolarHBondContact O-CB 3.49Å; F115-T118 PolarHBondContact O-N 3.33Å; A116-T118 PolarHBondContact O-N 3.37Å; T118-E120 VanDerWaalsContact C-N 3.32Å; T118-E120 PolarHBondContact O-N 2.95Å; T118-M121 CarbonylContact O-C 3.59Å; T118-M121 PolarHBondContact O-N 3.37Å; T118-Y122 HydrophobicContact CG2-CD2 4Å; T118-Y122 HydrophobicContact CG2-CE2 3.84Å; T118-Y122 WeakPolarHBondContact O-CD2 3.33Å; T118-Y122 PolarHBondContact O-N 2.91Å; T118-I178 HydrophobicContact CG2-CG2 4.01Å; T118-P206 HydrophobicContact CG2-CG 4.49Å; T118-W213 HydrophobicContact CG2-CH2 3.83Å; T118-W213 HydrophobicContact CG2-CZ2 3.87Å; T118-C283 VanDerWaalsContact CG2-O 3.23Å; T118-C283 WeakPolarHBondContact CG2-O 3.32Å; T118-C283 PolarHBondContact OG1-O 3.46Å; T118-C283 VanDerWaalsContact OG1-O 3.07Å
119	R	69.8	Low	63.6	Low	40 Å²	40	41.8 Å²	41.8	15%	0.151	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-36.3	176	-175.3	175.9	163.7	-130.5	-17.8	113.2	F115 A116 Y122 T221 S225 W227	F115-R119 PolarHBondContact O-N 3.08Å; A116-R119 PolarHBondContact O-N 2.92Å; R119-Y122 WeakPolarHBondContact O-CB 3.06Å; R119-Y122 PolarHBondContact O-N 2.93Å; R119-T221 HydrophobicContact CB-CG2 3.72Å; R119-T221 HydrophobicContact CG-CG2 4.16Å; R119-S225 VanDerWaalsContact NH1-CB 3.32Å; R119-S225 PolarHBondContact NH1-OG 2.89Å; R119-W227 PolarHBondContact NH2-O 3.06Å
120	E	66	Low	60.4	Low	21 Å²	21	47.5 Å²	47.5	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-52.6	-45.4	165.3	163.3	-106.2	-169.9	0	0	114	R89 A116 A117 T118 R226	R89-E120 VanDerWaalsContact CZ-CD 3.47Å; R89-E120 IonicContact CZ-OE1 2.75Å; R89-E120 VanDerWaalsContact CZ-OE1 3.24Å; R89-E120 IonicContact CZ-OE2 2.78Å; R89-E120 IonicContact NH1-OE1 3.62Å; R89-E120 PolarHBondContact NH1-OE1 3.06Å; R89-E120 IonicContact NH1-OE2 3.31Å; R89-E120 PolarHBondContact NH1-OE2 2.94Å; R89-E120 IonicContact NH2-OE1 2.72Å; R89-E120 PolarHBondContact NH2-OE1 3Å; R89-E120 IonicContact NH2-OE2 2.64Å; R89-E120 PolarHBondContact NH2-OE2 3.4Å; A116-E120 PolarHBondContact O-N 2.94Å; A117-E120 PolarHBondContact O-N 2.98Å; T118-E120 VanDerWaalsContact C-N 3.32Å; T118-E120 PolarHBondContact O-N 2.95Å; E120-R226 WeakPolarHBondContact OE2-CB 3.25Å
121	M	73.8	Confident	57	Low	2 Å²	2	52.6 Å²	52.6	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-85.5	-16.3	-177.4	-64.4	-179.7	-72.5	0	0	113.3	F113 A117 T118 H123 I178 N179 A180 V183	F113-M121 HydrophobicContact CB-CE 4.31Å; F113-M121 HydrophobicContact CD1-CE 3.61Å; F113-M121 HydrophobicContact CD2-CE 3.75Å; F113-M121 HydrophobicContact CE1-CE 3.76Å; F113-M121 HydrophobicContact CE1-SD 4.46Å; F113-M121 HydrophobicContact CE2-CE 3.93Å; F113-M121 HydrophobicContact CG-CE 3.62Å; F113-M121 HydrophobicContact CZ-CE 3.94Å; F113-M121 HydrophobicContact CZ-SD 4.47Å; A117-M121 VanDerWaalsContact O-CE 3.29Å; A117-M121 WeakPolarHBondContact O-CE 3.5Å; A117-M121 WeakPolarHBondContact O-CG 3.23Å; A117-M121 PolarHBondContact O-N 3.14Å; T118-M121 CarbonylContact O-C 3.59Å; T118-M121 PolarHBondContact O-N 3.37Å; M121-H123 PolarHBondContact O-N 3.25Å; M121-I178 HydrophobicContact CB-CB 3.73Å; M121-I178 HydrophobicContact CB-CG2 4.24Å; M121-I178 HydrophobicContact CE-CD1 3.98Å; M121-N179 PolarHBondContact O-N 2.74Å; M121-A180 HydrophobicContact SD-CB 3.9Å; M121-V183 HydrophobicContact CE-CG2 4.32Å; M121-V183 HydrophobicContact SD-CG2 3.4Å; M121-V183 WeakPolarHBondContact SD-CG2 3.38Å
122	Y	69.1	Low	53.9	Low	23 Å²	23	61.3 Å²	61.3	9%	0.09	36%	0.356	C	S	.	.	S	Bend	trans	-63.6	122.9	165.8	-97.7	-78.1	0	0	0	110.4	T118 R119 P124 S176 I178 P206 W213	T118-Y122 HydrophobicContact CG2-CD2 4Å; T118-Y122 HydrophobicContact CG2-CE2 3.84Å; T118-Y122 WeakPolarHBondContact O-CD2 3.33Å; T118-Y122 PolarHBondContact O-N 2.91Å; R119-Y122 WeakPolarHBondContact O-CB 3.06Å; R119-Y122 PolarHBondContact O-N 2.93Å; Y122-P124 WeakPolarHBondContact O-CD 3.45Å; Y122-S176 WeakPolarHBondContact CE1-O 3.37Å; Y122-S176 PolarHBondContact OH-O 3.31Å; Y122-I178 HydrophobicContact CD2-CG2 3.69Å; Y122-I178 HydrophobicContact CE2-CG2 3.71Å; Y122-I178 HydrophobicContact CG-CG2 4.17Å; Y122-P206 HydrophobicContact CE2-CG 4.14Å; Y122-P206 WeakPolarHBondContact OH-CG 3.32Å; Y122-W213 HydrophobicContact CE2-CZ2 4.24Å
123	H	53.9	Low	50.9	Low	85 Å²	85	69.5 Å²	69.5	39%	0.394	39%	0.394	S	S	.	.			trans	-86.3	125	173.3	-119.8	-97.1	0	0	0	110.5	M121 S125 K304	M121-H123 PolarHBondContact O-N 3.25Å; H123-S125 PolarHBondContact ND1-OG 3.01Å; H123-S125 PolarHBondContact O-N 3.1Å; H123-K304 PolarHBondContact CD2-NZ 3.04Å; H123-K304 VanDerWaalsContact CD2-NZ 3.29Å; H123-K304 PolarHBondContact NE2-NZ 2.85Å
124	P	43.6	Very low	48.1	Very low	128 Å²	128	73.4 Å²	73.4	83%	0.831	42%	0.421	S	S	*	.	S	Bend	trans	-68.1	-17	172	-20.5	33.4	0	0	0	113.5	Y122 G126	Y122-P124 WeakPolarHBondContact O-CD 3.45Å; P124-G126 PolarHBondContact O-N 3.11Å
125	S	36.1	Very low	45.8	Very low	48 Å²	48	79.2 Å²	79.2	34%	0.336	45%	0.449	S	S	.	.			trans	-82.2	58.6	-170.9	69	0	0	0	0	113.5	H123 S127	H123-S125 PolarHBondContact ND1-OG 3.01Å; H123-S125 PolarHBondContact O-N 3.1Å; S125-S127 PolarHBondContact O-N 3.5Å
126	G	29.2	Very low	43.5	Very low	83 Å²	83	86.8 Å²	86.8	86%	0.856	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	4.4	164.8	0	0	0	0	0	114	P124	P124-G126 PolarHBondContact O-N 3.11Å
127	S	24.6	Very low	41.6	Very low	101 Å²	101	97.2 Å²	97.2	71%	0.706	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	11.9	-174.5	56	0	0	0	0	114.2	S125 N129	S125-S127 PolarHBondContact O-N 3.5Å; S127-N129 PolarHBondContact O-N 3.06Å
128	I	28	Very low	39.4	Very low	113 Å²	113	103 Å²	103	58%	0.579	56%	0.557	S	S	*	*			trans	-72.2	92.5	160.2	-55.1	-178.2	0	0	0	106.7	I130	I128-I130 HydrophobicContact CG2-CG1 3.83Å; I128-I130 PolarHBondContact O-N 2.91Å
129	N	23.9	Very low	37.1	Very low	157 Å²	157	108.5 Å²	108.5	84%	0.84	59%	0.587	S	S	*	*			trans	-61	80.8	155.1	-84.2	-30.8	0	0	0	107.8	S127 P131	S127-N129 PolarHBondContact O-N 3.06Å; N129-P131 VanDerWaalsContact O-CD 3.27Å; N129-P131 WeakPolarHBondContact O-CD 3.26Å
130	I	25.8	Very low	35	Very low	119 Å²	119	112 Å²	112	61%	0.61	62%	0.618	S	S	*	*			trans	-56.4	117.1	153.5	-58.7	176.9	0	0	0	103.4	I128 F132	I128-I130 HydrophobicContact CG2-CG1 3.83Å; I128-I130 PolarHBondContact O-N 2.91Å; I130-F132 PolarHBondContact O-N 2.95Å
131	P	23.2	Very low	33.3	Very low	107 Å²	107	118.6 Å²	118.6	70%	0.695	65%	0.646	S	S	*	*			trans	-60.5	110.8	167.1	26.5	-30.9	0	0	0	105.4	N129 E133	N129-P131 VanDerWaalsContact O-CD 3.27Å; N129-P131 WeakPolarHBondContact O-CD 3.26Å; P131-E133 PolarHBondContact O-N 2.95Å
132	F	26.8	Very low	31	Very low	184 Å²	184	124.1 Å²	124.1	81%	0.807	69%	0.685	S	S	*	*			trans	-64.9	77.5	157.1	-101.5	-89.1	0	0	0	105.8	I130 S134	I130-F132 PolarHBondContact O-N 2.95Å; F132-S134 VanDerWaalsContact C-N 3.29Å; F132-S134 WeakPolarHBondContact O-CA 3.41Å; F132-S134 PolarHBondContact O-N 3.36Å
133	E	25.5	Very low	29.1	Very low	180 Å²	180	127.5 Å²	127.5	84%	0.841	71%	0.712	S	S	*	*			trans	-50.1	106.8	156.5	177.1	171.4	-138.5	0	0	104.3	P131 L135	P131-E133 PolarHBondContact O-N 2.95Å; E133-L135 PolarHBondContact O-N 2.78Å
134	S	26.7	Very low	28	Very low	86 Å²	86	130.5 Å²	130.5	60%	0.601	73%	0.73	S	S	*	*			trans	-59.8	113.2	-156.1	57.4	0	0	0	0	108.2	F132 K136	F132-S134 VanDerWaalsContact C-N 3.29Å; F132-S134 WeakPolarHBondContact O-CA 3.41Å; F132-S134 PolarHBondContact O-N 3.36Å; S134-K136 PolarHBondContact O-N 2.84Å
135	L	26.9	Very low	27.4	Very low	159 Å²	159	131.4 Å²	131.4	83%	0.832	72%	0.723	S	S	*	*			trans	-60.4	97.3	169.2	-173.6	79.9	0	0	0	105.1	E133 R137	E133-L135 PolarHBondContact O-N 2.78Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 2.92Å
136	K	26.4	Very low	27.2	Very low	180 Å²	180	135.7 Å²	135.7	78%	0.783	74%	0.742	S	S	*	*			trans	-59.7	102.9	-177.9	-76.7	-179.2	177.2	175.3	0	105.7	S134	S134-K136 PolarHBondContact O-N 2.84Å
137	R	25	Very low	27.1	Very low	221 Å²	221	142.5 Å²	142.5	83%	0.834	74%	0.742	S	S	*	*			trans	-46.1	128.4	158.3	-69.7	179.2	176.3	165.4	-0.7	104.9	L135 D139	L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 2.92Å; R137-D139 PolarHBondContact O-N 3.49Å
138	P	26.7	Very low	27.5	Very low	125 Å²	125	144 Å²	144	81%	0.812	74%	0.741	S	S	*	*			trans	-58.8	107.7	176.8	23.6	-32	0	0	0	106.8	S140	P138-S140 PolarHBondContact O-N 3.32Å
139	D	28.4	Very low	27.8	Very low	117 Å²	117	147 Å²	147	63%	0.626	75%	0.752	S	S	*	*			trans	-63.3	103.1	-176.3	-129.6	16.1	0	0	0	105.9	R137 K141	R137-D139 PolarHBondContact O-N 3.49Å; D139-K141 PolarHBondContact O-N 3.1Å; D139-K141 WeakPolarHBondContact OD2-CE 3.32Å; D139-K141 IonicContact OD2-NZ 3.69Å; D139-K141 PolarHBondContact OD2-NZ 2.85Å
140	S	26.2	Very low	28.2	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	74%	0.743	S	S	*	*			trans	-76.6	57.1	-172.8	58.2	0	0	0	0	111	P138 S142	P138-S140 PolarHBondContact O-N 3.32Å; S140-S142 PolarHBondContact O-N 3.32Å
141	K	29.3	Very low	28.4	Very low	160 Å²	160	143.4 Å²	143.4	70%	0.696	75%	0.75	S	S	*	*			trans	-89.2	56.2	175.4	-72.2	173.2	176.5	154.7	0	110	D139 S143	D139-K141 PolarHBondContact O-N 3.1Å; D139-K141 WeakPolarHBondContact OD2-CE 3.32Å; D139-K141 IonicContact OD2-NZ 3.69Å; D139-K141 PolarHBondContact OD2-NZ 2.85Å; K141-S143 PolarHBondContact O-N 3.12Å
142	S	26.6	Very low	28.9	Very low	118 Å²	118	147.2 Å²	147.2	83%	0.825	76%	0.755	S	S	*	*			trans	-75.5	94.1	159.9	53.9	0	0	0	0	108.2	S140	S140-S142 PolarHBondContact O-N 3.32Å
143	S	28.5	Very low	29.2	Very low	93 Å²	93	144.7 Å²	144.7	65%	0.65	76%	0.755	S	S	*	*			trans	-113.5	139.9	172.1	52.8	0	0	0	0	110.6	K141	K141-S143 PolarHBondContact O-N 3.12Å
144	L	31.1	Very low	29.4	Very low	149 Å²	149	141.8 Å²	141.8	78%	0.78	76%	0.755	S	S	*	*			trans	64.2	136	-166.9	-54.3	104	0	0	0	113.2
145	H	31.2	Very low	29.6	Very low	146 Å²	146	142.7 Å²	142.7	68%	0.676	77%	0.767	S	S	*	*			cis	-136.5	151.1	13.8	-121.2	-75.6	0	0	0	112.1
146	N	31.3	Very low	29.6	Very low	139 Å²	139	144.9 Å²	144.9	74%	0.743	77%	0.77	S	S	*	*			trans	69.4	146.5	157.6	-58.6	-19.6	0	0	0	117.3
147	R	26.2	Very low	29.9	Very low	226 Å²	226	144.9 Å²	144.9	85%	0.853	78%	0.778	S	S	*	*			cis	-166.1	170.6	-17.4	-168.4	179.9	-172.2	179.4	3.2	107.2
148	I	34.2	Very low	30	Very low	132 Å²	132	146.6 Å²	146.6	68%	0.677	78%	0.784	S	S	*	*			trans	85.6	101	164.3	-52.3	176.6	0	0	0	117
149	Q	33.6	Very low	30.3	Very low	176 Å²	176	144 Å²	144	82%	0.822	78%	0.781	S	S	*	*				45.6	146.7	125.9	-59.8	167.4	-6.7	0	0	121.9
150	S	31.7	Very low	30.3	Very low	92 Å²	92	148.2 Å²	148.2	64%	0.643	79%	0.794	S	S	*	*			cis	-174.6	142.9	-13.9	50.6	0	0	0	0	113.1
151	S	31.1	Very low	30.6	Very low	108 Å²	108	148.4 Å²	148.4	76%	0.755	79%	0.792	S	S	*	*			trans	62.5	170.9	157.7	79.5	0	0	0	0	116.8
152	K	33.5	Very low	30.7	Very low	187 Å²	187	146 Å²	146	81%	0.813	79%	0.793	S	S	*	*			cis	-164.4	149.9	-1.4	-128.4	164.8	179.8	179.7	0	104.6
153	T	33.9	Very low	30.7	Very low	132 Å²	132	150.7 Å²	150.7	81%	0.81	79%	0.794	S	S	*	*			cis	-154.1	-168	1.5	-21.3	0	0	0	0	108.4
154	S	28.5	Very low	30.6	Very low	119 Å²	119	152 Å²	152	83%	0.832	80%	0.803	S	S	*	*			trans	-116.6	161.7	174.7	59.7	0	0	0	0	113.7
155	A	31.1	Very low	30.3	Very low	104 Å²	104	152.3 Å²	152.3	86%	0.86	80%	0.802	S	S	*	*			trans	-146.3	140.8	165.4	0	0	0	0	0	111
156	K	27.4	Very low	30	Very low	206 Å²	206	153.9 Å²	153.9	90%	0.896	81%	0.81	S	S	*	*			trans	-104.7	145.3	175.8	-72.7	174.3	175.4	172	0	110.1
157	L	32.5	Very low	29.8	Very low	180 Å²	180	156.7 Å²	156.7	94%	0.942	82%	0.815	S	S	*	*			trans	-131	140.7	151.2	-81.4	175.2	0	0	0	110.2
158	R	28	Very low	29.8	Very low	256 Å²	256	151.7 Å²	151.7	97%	0.966	81%	0.806	S	S	*	*			trans	-94.3	130.6	171.2	-86.7	177.8	161.8	179	-5.8	108.6
159	G	32.9	Very low	29.5	Very low	72 Å²	72	152.5 Å²	152.5	74%	0.742	81%	0.812	S	S	*	*			trans	-145.4	143.6	165	0	0	0	0	0	109.1
160	K	28.4	Very low	29.2	Very low	205 Å²	205	152.3 Å²	152.3	89%	0.891	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.4	128	173.5	-67.1	179.4	178.4	179.7	0	108.5
161	P	32.3	Very low	29.2	Very low	117 Å²	117	154.8 Å²	154.8	76%	0.76	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72.5	133.5	171.3	29.8	-32.5	0	0	0	110
162	P	30.4	Very low	29.3	Very low	110 Å²	110	154.7 Å²	154.7	71%	0.714	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.7	151.9	162.6	33	-33.2	0	0	0	110
163	Y	27.5	Very low	29.6	Very low	216 Å²	216	151.2 Å²	151.2	85%	0.847	81%	0.81	S	S	*	*			trans	28.6	103.1	165.1	-75.3	-90.7	0	0	0	117.9	M165	Y163-M165 VanDerWaalsContact C-N 3.32Å; Y163-M165 PolarHBondContact O-N 3.24Å
164	S	25	Very low	30.1	Very low	120 Å²	120	150 Å²	150	84%	0.839	80%	0.802	S	S	*	*			trans	-64.5	90.5	160.3	179.9	0	0	0	0	109.9
165	M	24.8	Very low	31.1	Very low	156 Å²	156	146 Å²	146	77%	0.768	77%	0.773	S	S	*	*			trans	-63.1	135.3	163.8	-67.5	-170.8	110.1	0	0	108.7	Y163 F167	Y163-M165 VanDerWaalsContact C-N 3.32Å; Y163-M165 PolarHBondContact O-N 3.24Å; M165-F167 PolarHBondContact O-N 3.09Å
166	H	26.8	Very low	32.3	Very low	179 Å²	179	144.1 Å²	144.1	83%	0.829	75%	0.753	S	S	*	*			trans	-61.7	118.4	164.7	-78.3	-101.2	0	0	0	107.8	D168	H166-D168 VanDerWaalsContact C-N 3.31Å; H166-D168 PolarHBondContact O-N 3.41Å; H166-D168 VanDerWaalsContact O-N 3.14Å
167	F	27	Very low	34.2	Very low	197 Å²	197	139.9 Å²	139.9	86%	0.864	74%	0.74	S	S	*	*			trans	-72.9	96.8	156	-75.8	-89.1	0	0	0	106.3	M165 D169	M165-F167 PolarHBondContact O-N 3.09Å; F167-D169 PolarHBondContact O-N 2.99Å
168	D	26.1	Very low	36.2	Very low	121 Å²	121	131.5 Å²	131.5	65%	0.647	70%	0.696	S	S	*	*			trans	-54.3	131.6	152.9	-82.6	-37.4	0	0	0	107.1	H166 H170	H166-D168 VanDerWaalsContact C-N 3.31Å; H166-D168 PolarHBondContact O-N 3.41Å; H166-D168 VanDerWaalsContact O-N 3.14Å; D168-H170 PolarHBondContact O-N 3.12Å
169	D	27.6	Very low	38.4	Very low	150 Å²	150	120.6 Å²	120.6	80%	0.802	66%	0.657	S	S	*	*			trans	-68.5	82.2	173.4	-90.6	-46.1	0	0	0	109	F167 L171	F167-D169 PolarHBondContact O-N 2.99Å; D169-L171 PolarHBondContact O-N 3.46Å
170	H	27.3	Very low	40.3	Very low	172 Å²	172	117.4 Å²	117.4	80%	0.796	62%	0.624	S	S	*	*			trans	-66.3	69.2	160.7	-71.3	-25.5	0	0	0	109.1	D168 S172	D168-H170 PolarHBondContact O-N 3.12Å; H170-S172 PolarHBondContact O-N 2.98Å
171	L	32	Very low	42.2	Very low	143 Å²	143	115.5 Å²	115.5	75%	0.749	61%	0.611	S	S	*	*			trans	-47.7	110.9	161.1	-74.2	172	0	0	0	107	D169 T173	D169-L171 PolarHBondContact O-N 3.46Å; L171-T173 PolarHBondContact O-N 2.79Å
172	S	32.2	Very low	44.3	Very low	107 Å²	107	110.1 Å²	110.1	75%	0.748	58%	0.576	S	S	*	*			trans	-54.1	104.4	178.2	176.6	0	0	0	0	108.6	H170 V174	H170-S172 PolarHBondContact O-N 2.98Å; S172-V174 PolarHBondContact O-N 2.83Å
173	T	40.5	Very low	46.8	Very low	114 Å²	114	105.3 Å²	105.3	70%	0.699	54%	0.544	S	S	*	.			trans	-72.7	74.6	179.6	32.4	0	0	0	0	109.2	L171 P175	L171-T173 PolarHBondContact O-N 2.79Å; T173-P175 WeakPolarHBondContact O-CD 3.49Å; T173-P175 VanDerWaalsContact O-N 3.1Å
174	V	44.2	Very low	49.6	Very low	107 Å²	107	97 Å²	97	65%	0.648	52%	0.518	S	S	*	.			trans	-49.9	118.3	166.2	179.2	0	0	0	0	106.5	S172 S176	S172-V174 PolarHBondContact O-N 2.83Å; V174-S176 PolarHBondContact O-N 3.15Å
175	P	48.8	Very low	52.7	Low	33 Å²	33	91.3 Å²	91.3	21%	0.214	48%	0.478	C	S	.	.			trans	-58.6	126.5	-172.4	22	-33.1	0	0	0	109.1	T173 L177	T173-P175 WeakPolarHBondContact O-CD 3.49Å; T173-P175 VanDerWaalsContact O-N 3.1Å; P175-L177 PolarHBondContact O-N 2.87Å
176	S	55.8	Low	55.7	Low	65 Å²	65	85 Å²	85	46%	0.455	45%	0.447	S	S	.	.			trans	-60.1	114.7	-172.8	-8.5	0	0	0	0	109.3	Y122 V174 I178	Y122-S176 WeakPolarHBondContact CE1-O 3.37Å; Y122-S176 PolarHBondContact OH-O 3.31Å; V174-S176 PolarHBondContact O-N 3.15Å; S176-I178 PolarHBondContact O-N 3.32Å
177	L	67.5	Low	58.8	Low	118 Å²	118	78.4 Å²	78.4	62%	0.618	42%	0.417	S	S	*	.			trans	-64.8	132.8	-172.2	-62.6	172.3	0	0	0	110.8	P175 Q205	P175-L177 PolarHBondContact O-N 2.87Å; L177-Q205 VanDerWaalsContact CA-OE1 3.3Å; L177-Q205 HydrophobicContact CD2-CB 4.06Å; L177-Q205 HydrophobicContact CD2-CG 3.93Å
178	I	75.8	Confident	61.5	Low	4 Å²	4	69.7 Å²	69.7	2%	0.021	38%	0.38	C	S	.	.			trans	-73.4	132.8	176.4	59	169.7	0	0	0	110.3	F113 T118 M121 Y122 S176 A180 Q205 P206	F113-I178 HydrophobicContact CD2-CD1 3.73Å; F113-I178 HydrophobicContact CE2-CD1 3.63Å; T118-I178 HydrophobicContact CG2-CG2 4.01Å; M121-I178 HydrophobicContact CB-CB 3.73Å; M121-I178 HydrophobicContact CB-CG2 4.24Å; M121-I178 HydrophobicContact CE-CD1 3.98Å; Y122-I178 HydrophobicContact CD2-CG2 3.69Å; Y122-I178 HydrophobicContact CE2-CG2 3.71Å; Y122-I178 HydrophobicContact CG-CG2 4.17Å; S176-I178 PolarHBondContact O-N 3.32Å; I178-A180 HydrophobicContact CG1-CB 4.48Å; I178-A180 PolarHBondContact O-N 2.85Å; I178-Q205 PolarHBondContact O-NE2 2.66Å; I178-P206 HydrophobicContact CD1-CG 4.47Å; I178-P206 HydrophobicContact CG1-CG 4.35Å; I178-P206 HydrophobicContact CG2-CG 3.83Å
179	N	73.5	Confident	64.2	Low	27 Å²	27	68.5 Å²	68.5	14%	0.144	37%	0.367	C	S	.	.			trans	-80.6	69.5	178.7	-170.9	9.9	0	0	0	111.2	M121 R181	M121-N179 PolarHBondContact O-N 2.74Å; N179-R181 PolarHBondContact O-N 2.95Å; N179-R181 VanDerWaalsContact O-N 3.11Å; N179-R181 PolarHBondContact OD1-NH1 3.01Å
180	A	71.9	Confident	66.6	Low	5 Å²	5	64.5 Å²	64.5	4%	0.041	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-76.2	16.6	-178.8	0	0	0	0	0	114.6	F113 M121 I178 S182 V183 I203	F113-A180 HydrophobicContact CZ-CB 4.36Å; M121-A180 HydrophobicContact SD-CB 3.9Å; I178-A180 HydrophobicContact CG1-CB 4.48Å; I178-A180 PolarHBondContact O-N 2.85Å; A180-S182 PolarHBondContact O-N 3.19Å; A180-V183 HydrophobicContact CB-CB 4.48Å; A180-V183 HydrophobicContact CB-CG2 3.89Å; A180-V183 WeakPolarHBondContact O-CB 3.39Å; A180-V183 PolarHBondContact O-N 2.91Å; A180-V183 VanDerWaalsContact O-N 3.11Å; A180-I203 HydrophobicContact CB-CD1 3.95Å; A180-I203 HydrophobicContact CB-CG2 3.89Å
181	R	69.6	Low	68.6	Low	164 Å²	164	60 Å²	60	62%	0.619	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-64.8	-21	178.3	-71.5	-171.6	179	100.5	-10.9	114	N179 L321	N179-R181 PolarHBondContact O-N 2.95Å; N179-R181 VanDerWaalsContact O-N 3.11Å; N179-R181 PolarHBondContact OD1-NH1 3.01Å; R181-L321 VanDerWaalsContact CZ-CD1 3.49Å
182	S	75.1	Confident	70.7	Confident	5 Å²	5	56.9 Å²	56.9	4%	0.035	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-93.5	3.5	176.2	50	0	0	0	0	113.8	A180 N301 S302	A180-S182 PolarHBondContact O-N 3.19Å; S182-N301 PolarHBondContact OG-OD1 2.84Å; S182-S302 WeakPolarHBondContact CB-O 3.31Å; S182-S302 WeakPolarHBondContact CB-OG 3.36Å; S182-S302 PolarHBondContact O-N 2.83Å; S182-S302 PolarHBondContact O-OG 3.06Å; S182-S302 PolarHBondContact OG-O 2.91Å
183	V	83.6	Confident	72.4	Confident	8 Å²	8	60 Å²	60	5%	0.048	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.9	176.4	175.7	0	0	0	0	110.1	F113 M121 A180 F201 V286 L299 V300	F113-V183 HydrophobicContact CE1-CB 4.33Å; F113-V183 HydrophobicContact CE1-CG1 3.72Å; F113-V183 HydrophobicContact CE1-CG2 3.66Å; F113-V183 HydrophobicContact CZ-CB 4.43Å; F113-V183 HydrophobicContact CZ-CG1 4.03Å; F113-V183 HydrophobicContact CZ-CG2 3.83Å; M121-V183 HydrophobicContact CE-CG2 4.32Å; M121-V183 HydrophobicContact SD-CG2 3.4Å; M121-V183 WeakPolarHBondContact SD-CG2 3.38Å; A180-V183 HydrophobicContact CB-CB 4.48Å; A180-V183 HydrophobicContact CB-CG2 3.89Å; A180-V183 WeakPolarHBondContact O-CB 3.39Å; A180-V183 PolarHBondContact O-N 2.91Å; A180-V183 VanDerWaalsContact O-N 3.11Å; V183-F201 WeakPolarHBondContact O-CZ 3.44Å; V183-V286 HydrophobicContact CG1-CG2 4.46Å; V183-L299 HydrophobicContact CG1-CD2 4.16Å; V183-V300 CarbonylContact C-O 3.58Å; V183-V300 WeakPolarHBondContact CA-O 3.4Å
184	S	86.8	Confident	73.9	Confident	43 Å²	43	57.3 Å²	57.3	30%	0.301	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137	165.2	-66.8	0	0	0	0	108.9	V300	S184-V300 PolarHBondContact N-O 2.91Å; S184-V300 PolarHBondContact O-N 2.89Å
185	L	89.9	Confident	75.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.7	166.2	173.4	62.6	0	0	0	109.2	I111 V198 F201 V286 I288 Y297 L299	I111-L185 HydrophobicContact CD1-CD1 4.15Å; L185-V198 HydrophobicContact CB-CB 4.15Å; L185-V198 HydrophobicContact CD2-CB 3.93Å; L185-V198 HydrophobicContact CD2-CG1 4.08Å; L185-V198 HydrophobicContact CD2-CG2 3.97Å; L185-V198 HydrophobicContact CG-CB 3.96Å; L185-V198 HydrophobicContact CG-CG2 3.88Å; L185-V198 PolarHBondContact O-N 2.97Å; L185-F201 HydrophobicContact CB-CD1 4.09Å; L185-F201 HydrophobicContact CB-CE1 4.29Å; L185-F201 HydrophobicContact CB-CG 4.43Å; L185-F201 HydrophobicContact CD2-CB 4.36Å; L185-V286 HydrophobicContact CD2-CG1 4.28Å; L185-I288 HydrophobicContact CD2-CD1 4.28Å; L185-I288 HydrophobicContact CD2-CG2 3.29Å; L185-Y297 HydrophobicContact CD1-CD1 4.2Å; L185-L299 HydrophobicContact CB-CD2 3.88Å; L185-L299 HydrophobicContact CD1-CD2 3.66Å; L185-L299 HydrophobicContact CD1-CG 4.38Å; L185-L299 HydrophobicContact CG-CD2 4.29Å
186	L	87.5	Confident	77.5	Confident	22 Å²	22	58.1 Å²	58.1	12%	0.115	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	146.4	171.1	-55.4	-172.5	0	0	0	110.5	P82 L84 W195 H196 V197 Y297 V298 V300	P82-L186 HydrophobicContact CB-CD1 3.83Å; P82-L186 HydrophobicContact CG-CD1 3.95Å; L84-L186 HydrophobicContact CD2-CD1 4.31Å; L186-W195 HydrophobicContact CB-CE3 3.75Å; L186-W195 HydrophobicContact CB-CZ3 4.24Å; L186-H196 CarbonylContact C-O 3.55Å; L186-H196 VanDerWaalsContact CA-O 3.28Å; L186-H196 WeakPolarHBondContact CA-O 3.43Å; L186-V197 HydrophobicContact CD2-CB 4.23Å; L186-V197 HydrophobicContact CD2-CG1 4.46Å; L186-V197 HydrophobicContact CD2-CG2 3.72Å; L186-Y297 WeakPolarHBondContact O-CA 3.41Å; L186-V298 HydrophobicContact CB-CG1 4.07Å; L186-V298 PolarHBondContact N-O 3.13Å; L186-V298 PolarHBondContact O-N 3.08Å; L186-V300 HydrophobicContact CD1-CG2 3.68Å; L186-V300 HydrophobicContact CG-CG2 3.9Å
187	H	91	Very high	78.9	Confident	42 Å²	42	59.3 Å²	59.3	19%	0.194	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.3	169.2	77.8	132.3	0	0	0	111.9	H196 V198 H295 C296 Y297	H187-H196 PolarHBondContact CD2-O 3.47Å; H187-H196 PolarHBondContact N-O 3.23Å; H187-H196 PolarHBondContact O-N 2.86Å; H187-V198 HydrophobicContact CB-CG2 4.04Å; H187-V198 WeakPolarHBondContact CD2-CG2 3.36Å; H187-H295 AromaticContact CE1-NE2 3.96Å; H187-H295 AromaticContact ND1-CD2 3.35Å; H187-H295 PolarHBondContact ND1-CD2 2.98Å; H187-H295 VanDerWaalsContact ND1-CD2 3.35Å; H187-H295 AromaticContact ND1-CG 3.87Å; H187-H295 AromaticContact ND1-NE2 3.61Å; H187-C296 CarbonylContact C-O 3.57Å; H187-C296 WeakPolarHBondContact CA-O 3.31Å; H187-Y297 HydrophobicContact CB-CD1 3.49Å; H187-Y297 VanDerWaalsContact CB-CD1 3.49Å; H187-Y297 HydrophobicContact CB-CE1 3.54Å; H187-Y297 HydrophobicContact CB-CG 4.34Å
188	C	84.3	Confident	79.8	Confident	13 Å²	13	54.8 Å²	54.8	9%	0.088	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.6	173.5	168.6	0	0	0	0	107.8	D192 C194 W195 H295 C296	C188-D192 PolarHBondContact SG-O 2.69Å; C188-C194 PolarHBondContact SG-O 2.8Å; C188-W195 HydrophobicContact CB-CD2 3.47Å; C188-W195 VanDerWaalsContact CB-CD2 3.47Å; C188-W195 HydrophobicContact CB-CE3 3.63Å; C188-W195 HydrophobicContact CB-CG 3.94Å; C188-W195 HydrophobicContact CB-CH2 4.11Å; C188-W195 HydrophobicContact CB-CZ2 3.96Å; C188-W195 HydrophobicContact CB-CZ3 3.95Å; C188-H295 CarbonylContact O-C 3.54Å; C188-H295 WeakPolarHBondContact O-CA 3.47Å; C188-H295 WeakPolarHBondContact O-CB 3.33Å; C188-C296 PolarHBondContact N-O 2.68Å; C188-C296 PolarHBondContact O-N 2.68Å
189	R	83.6	Confident	80.1	Confident	97 Å²	97	63.8 Å²	63.8	37%	0.366	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.3	-179.2	-168.9	-179.6	-176.4	83.7	-4.1	109.6	G191 D192 E292 N294 H295	R189-G191 PolarHBondContact O-N 3.15Å; R189-D192 HydrophobicContact CB-CB 4.12Å; R189-D192 WeakPolarHBondContact CB-OD2 3.06Å; R189-D192 WeakPolarHBondContact CD-OD2 3.1Å; R189-D192 PolarHBondContact O-N 2.89Å; R189-E292 IonicContact CZ-OE2 3.59Å; R189-E292 IonicContact NH1-OE2 3.72Å; R189-E292 PolarHBondContact NH1-OE2 3.14Å; R189-E292 VanDerWaalsContact NH1-OE2 3.12Å; R189-E292 IonicContact NH2-OE2 2.71Å; R189-E292 PolarHBondContact NH2-OE2 2.84Å; R189-N294 PolarHBondContact NH1-ND2 3.25Å; R189-N294 PolarHBondContact NH2-ND2 3.33Å; R189-H295 VanDerWaalsContact CA-CD2 3.49Å; R189-H295 WeakPolarHBondContact CA-CD2 3.15Å
190	L	77.7	Confident	80.7	Confident	65 Å²	65	70.8 Å²	70.8	34%	0.34	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	100.6	-177.6	-73.1	167	0	0	0	111	M96 Y98 N294 C296	M96-L190 HydrophobicContact CG-CD1 4.11Å; M96-L190 HydrophobicContact CG-CD2 4.06Å; M96-L190 HydrophobicContact SD-CD1 4.4Å; M96-L190 HydrophobicContact SD-CD2 4.05Å; Y98-L190 HydrophobicContact CD2-CD1 3.82Å; Y98-L190 HydrophobicContact CG-CD1 4.26Å; L190-N294 PolarHBondContact N-O 3.17Å; L190-C296 VanDerWaalsContact CD2-SG 3.54Å
191	G	69.4	Low	81.7	Confident	77 Å²	77	73.1 Å²	73.1	79%	0.794	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.7	-5	-175.8	0	0	0	0	0	114.7	R189	R189-G191 PolarHBondContact O-N 3.15Å
192	D	76.3	Confident	82.7	Confident	79 Å²	79	69.3 Å²	69.3	42%	0.422	37%	0.371	S	S	.	.			trans	-99.4	149.5	175.3	-63.4	5.7	0	0	0	110.2	C188 R189	C188-D192 PolarHBondContact SG-O 2.69Å; R189-D192 HydrophobicContact CB-CB 4.12Å; R189-D192 WeakPolarHBondContact CB-OD2 3.06Å; R189-D192 WeakPolarHBondContact CD-OD2 3.1Å; R189-D192 PolarHBondContact O-N 2.89Å
193	D	68.5	Low	83.4	Confident	171 Å²	171	72.2 Å²	72.2	91%	0.914	39%	0.385	S	S	*	.	S	Bend	trans	-88.3	-1.2	-177.7	-61	-43.8	0	0	0	113.8
194	C	72.1	Confident	83.6	Confident	59 Å²	59	73.2 Å²	73.2	40%	0.399	39%	0.391	S	S	.	.			trans	-121.5	137.6	-166.8	60.7	0	0	0	0	114.1	C188	C188-C194 PolarHBondContact SG-O 2.8Å
195	W	82.2	Confident	83.7	Confident	54 Å²	54	74 Å²	74	21%	0.205	39%	0.39	C	S	.	.			trans	-94.4	141.6	174.4	-73.5	87.7	0	0	0	111	I80 P82 V94 L186 C188 C296 V298	I80-W195 VanDerWaalsContact O-CZ2 3.31Å; I80-W195 WeakPolarHBondContact O-CZ2 3.48Å; I80-W195 PolarHBondContact O-NE1 3.42Å; I80-W195 VanDerWaalsContact O-NE1 3.16Å; P82-W195 HydrophobicContact CB-CB 4.32Å; P82-W195 HydrophobicContact CB-CD2 3.99Å; P82-W195 HydrophobicContact CB-CG 3.8Å; P82-W195 HydrophobicContact CG-CD2 4.45Å; V94-W195 HydrophobicContact CG1-CH2 3.94Å; V94-W195 HydrophobicContact CG1-CZ2 4.27Å; L186-W195 HydrophobicContact CB-CE3 3.75Å; L186-W195 HydrophobicContact CB-CZ3 4.24Å; C188-W195 HydrophobicContact CB-CD2 3.47Å; C188-W195 VanDerWaalsContact CB-CD2 3.47Å; C188-W195 HydrophobicContact CB-CE3 3.63Å; C188-W195 HydrophobicContact CB-CG 3.94Å; C188-W195 HydrophobicContact CB-CH2 4.11Å; C188-W195 HydrophobicContact CB-CZ2 3.96Å; C188-W195 HydrophobicContact CB-CZ3 3.95Å; W195-C296 HydrophobicContact CH2-CB 3.69Å; W195-C296 HydrophobicContact CZ2-CB 4.24Å; W195-C296 HydrophobicContact CZ3-CB 4.42Å; W195-V298 HydrophobicContact CE3-CG1 4.28Å; W195-V298 HydrophobicContact CH2-CB 4.49Å; W195-V298 HydrophobicContact CH2-CG1 3.92Å; W195-V298 HydrophobicContact CZ3-CB 4.5Å; W195-V298 HydrophobicContact CZ3-CG1 3.69Å
196	H	85.3	Confident	83.5	Confident	102 Å²	102	74.2 Å²	74.2	47%	0.472	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.1	179.7	-64.7	-23.5	0	0	0	111.1	L186 H187	L186-H196 CarbonylContact C-O 3.55Å; L186-H196 VanDerWaalsContact CA-O 3.28Å; L186-H196 WeakPolarHBondContact CA-O 3.43Å; H187-H196 PolarHBondContact CD2-O 3.47Å; H187-H196 PolarHBondContact N-O 3.23Å; H187-H196 PolarHBondContact O-N 2.86Å
197	V	85.6	Confident	83.3	Confident	90 Å²	90	77.1 Å²	77.1	55%	0.545	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.6	177	-173.2	0	0	0	0	109.7	L186 K199	L186-V197 HydrophobicContact CD2-CB 4.23Å; L186-V197 HydrophobicContact CD2-CG1 4.46Å; L186-V197 HydrophobicContact CD2-CG2 3.72Å; V197-K199 PolarHBondContact O-N 3.38Å
198	V	87.1	Confident	82.7	Confident	24 Å²	24	77 Å²	77	15%	0.145	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.3	171.4	-177.1	0	0	0	0	108.5	L185 H187 F201 I288	L185-V198 HydrophobicContact CB-CB 4.15Å; L185-V198 HydrophobicContact CD2-CB 3.93Å; L185-V198 HydrophobicContact CD2-CG1 4.08Å; L185-V198 HydrophobicContact CD2-CG2 3.97Å; L185-V198 HydrophobicContact CG-CB 3.96Å; L185-V198 HydrophobicContact CG-CG2 3.88Å; L185-V198 PolarHBondContact O-N 2.97Å; H187-V198 HydrophobicContact CB-CG2 4.04Å; H187-V198 WeakPolarHBondContact CD2-CG2 3.36Å; V198-F201 WeakPolarHBondContact O-CD1 3.26Å; V198-F201 WeakPolarHBondContact O-CE1 3.24Å; V198-I288 HydrophobicContact CG1-CG2 4.31Å
199	K	82	Confident	82	Confident	193 Å²	193	77.3 Å²	77.3	84%	0.839	41%	0.413	S	S	*	.			trans	-82.1	-29.4	-178.5	-65.2	-175.7	-180	-179.5	0	113.9	V197	V197-K199 PolarHBondContact O-N 3.38Å
200	E	85.6	Confident	81.3	Confident	174 Å²	174	76.2 Å²	76.2	81%	0.813	41%	0.409	S	S	*	.			trans	-112.9	104.6	-174	-69	-178.8	-168.4	0	0	110.1
201	F	91.6	Very high	80.8	Confident	54 Å²	54	77.6 Å²	77.6	24%	0.237	43%	0.43	C	S	.	.			trans	-151.8	155.7	175.6	64.7	-95.3	0	0	0	110.5	V183 L185 V198 I203 V286 Y287 I288	V183-F201 WeakPolarHBondContact O-CZ 3.44Å; L185-F201 HydrophobicContact CB-CD1 4.09Å; L185-F201 HydrophobicContact CB-CE1 4.29Å; L185-F201 HydrophobicContact CB-CG 4.43Å; L185-F201 HydrophobicContact CD2-CB 4.36Å; V198-F201 WeakPolarHBondContact O-CD1 3.26Å; V198-F201 WeakPolarHBondContact O-CE1 3.24Å; F201-I203 HydrophobicContact CD2-CG1 4.16Å; F201-I203 HydrophobicContact CE2-CD1 4.17Å; F201-I203 HydrophobicContact CE2-CG1 3.83Å; F201-V286 HydrophobicContact CB-CG1 3.58Å; F201-V286 HydrophobicContact CD2-CB 4.43Å; F201-V286 HydrophobicContact CD2-CG1 3.51Å; F201-V286 HydrophobicContact CD2-CG2 3.99Å; F201-V286 HydrophobicContact CE2-CG1 4.47Å; F201-V286 HydrophobicContact CE2-CG2 4.24Å; F201-V286 HydrophobicContact CG-CG1 3.83Å; F201-Y287 WeakPolarHBondContact CA-O 3.47Å; F201-I288 HydrophobicContact CB-CG2 3.66Å
202	T	91.6	Very high	81.1	Confident	83 Å²	83	79 Å²	79	51%	0.509	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.1	-178.9	-57.4	0	0	0	0	109.9	V286 Y287	T202-V286 CarbonylContact O-C 3.59Å; T202-V286 WeakPolarHBondContact O-CA 3.39Å; T202-Y287 PolarHBondContact N-O 3.02Å; T202-Y287 PolarHBondContact O-N 2.92Å
203	I	89.1	Confident	81	Confident	67 Å²	67	76 Å²	76	34%	0.344	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.1	177.9	-63.9	163.7	0	0	0	109.9	A180 F201 V286	A180-I203 HydrophobicContact CB-CD1 3.95Å; A180-I203 HydrophobicContact CB-CG2 3.89Å; F201-I203 HydrophobicContact CD2-CG1 4.16Å; F201-I203 HydrophobicContact CE2-CD1 4.17Å; F201-I203 HydrophobicContact CE2-CG1 3.83Å; I203-V286 HydrophobicContact CG1-CG2 4.42Å
204	V	89.1	Confident	81.1	Confident	29 Å²	29	69.5 Å²	69.5	18%	0.176	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.4	169.6	-173.6	0	0	0	0	108.8	F110 E280 G284 G285 Y287	F110-V204 HydrophobicContact CD2-CG2 4.06Å; F110-V204 HydrophobicContact CE2-CB 3.98Å; F110-V204 HydrophobicContact CE2-CG1 4.46Å; F110-V204 HydrophobicContact CE2-CG2 3.77Å; V204-E280 HydrophobicContact CG1-CG 4.04Å; V204-G284 VanDerWaalsContact O-CA 3.28Å; V204-G284 WeakPolarHBondContact O-CA 3.45Å; V204-G285 PolarHBondContact N-O 2.83Å; V204-G285 PolarHBondContact O-N 2.63Å; V204-Y287 HydrophobicContact CG2-CD2 3.38Å; V204-Y287 HydrophobicContact CG2-CE2 3.67Å
205	Q	87.6	Confident	80.7	Confident	60 Å²	60	70 Å²	70	28%	0.28	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-85.9	142.1	176	-71.1	-76.5	-28.5	0	0	110.2	L177 I178	L177-Q205 VanDerWaalsContact CA-OE1 3.3Å; L177-Q205 HydrophobicContact CD2-CB 4.06Å; L177-Q205 HydrophobicContact CD2-CG 3.93Å; I178-Q205 PolarHBondContact O-NE2 2.66Å
206	P	86.5	Confident	80	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.019	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-64.5	140.4	173.7	29.2	-34.2	0	0	0	110.3	T118 Y122 I178 Y282	T118-P206 HydrophobicContact CG2-CG 4.49Å; Y122-P206 HydrophobicContact CE2-CG 4.14Å; Y122-P206 WeakPolarHBondContact OH-CG 3.32Å; I178-P206 HydrophobicContact CD1-CG 4.47Å; I178-P206 HydrophobicContact CG1-CG 4.35Å; I178-P206 HydrophobicContact CG2-CG 3.83Å; P206-Y282 WeakPolarHBondContact CB-O 3.48Å
207	T	83.2	Confident	78.9	Confident	84 Å²	84	67.3 Å²	67.3	52%	0.515	36%	0.357	S	S	.	.	S	Bend	trans	-100.1	-12.4	-179.8	57.8	0	0	0	0	113.1	K281	T207-K281 PolarHBondContact N-O 3.21Å; T207-K281 VanDerWaalsContact OG1-CB 3.31Å; T207-K281 WeakPolarHBondContact OG1-CB 3.46Å; T207-K281 PolarHBondContact OG1-O 3.1Å
208	I	79.1	Confident	77.8	Confident	39 Å²	39	64.2 Å²	64.2	20%	0.2	34%	0.339	C	S	.	.	S	Bend	trans	-116.4	116.9	-179.6	-58.4	172	0	0	0	106.9	D212 W213 K281 Y282	I208-D212 HydrophobicContact CG2-CB 3.79Å; I208-W213 PolarHBondContact O-NE1 2.83Å; I208-K281 HydrophobicContact CD1-CB 3.85Å; I208-K281 HydrophobicContact CG1-CB 4.24Å; I208-K281 PolarHBondContact N-O 3.3Å; I208-Y282 HydrophobicContact CB-CD1 4.04Å; I208-Y282 HydrophobicContact CB-CE1 4.41Å; I208-Y282 HydrophobicContact CD1-CD1 3.7Å; I208-Y282 HydrophobicContact CD1-CE1 3.42Å; I208-Y282 VanDerWaalsContact CD1-CE1 3.42Å; I208-Y282 HydrophobicContact CG1-CD1 4.45Å; I208-Y282 HydrophobicContact CG1-CE1 4.5Å; I208-Y282 HydrophobicContact CG2-CD1 4.05Å; I208-Y282 HydrophobicContact CG2-CE1 4.15Å
209	P	70	Confident	76.4	Confident	20 Å²	20	68.4 Å²	68.4	13%	0.13	36%	0.357	C	S	.	.			trans	-68.1	154.6	-177.4	31.5	-35.8	0	0	0	110.9	A211 D212	P209-A211 PolarHBondContact O-N 2.94Å; P209-D212 WeakPolarHBondContact CD-OD2 3.45Å; P209-D212 HydrophobicContact CG-CB 4.24Å; P209-D212 WeakPolarHBondContact CG-OD2 3.22Å; P209-D212 PolarHBondContact O-N 3.09Å
210	Y	67.8	Low	75	Confident	74 Å²	74	61.5 Å²	61.5	29%	0.29	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-51.3	-32	-178.3	174.5	-103	0	0	0	114.6	D212 W213 T221	Y210-D212 VanDerWaalsContact C-N 3.25Å; Y210-D212 PolarHBondContact O-N 2.69Å; Y210-W213 AromaticContact CD2-CD2 3.95Å; Y210-W213 HydrophobicContact CD2-CD2 3.95Å; Y210-W213 AromaticContact CD2-CE3 3.64Å; Y210-W213 HydrophobicContact CD2-CE3 3.64Å; Y210-W213 HydrophobicContact CD2-CH2 4.21Å; Y210-W213 HydrophobicContact CD2-CZ2 4.48Å; Y210-W213 AromaticContact CD2-CZ3 3.78Å; Y210-W213 HydrophobicContact CD2-CZ3 3.78Å; Y210-W213 HydrophobicContact CE2-CE3 4.06Å; Y210-W213 HydrophobicContact CE2-CZ3 4.23Å; Y210-W213 PolarHBondContact O-N 2.7Å; Y210-T221 HydrophobicContact CE2-CG2 3.91Å
211	A	68.1	Low	73.3	Confident	94 Å²	94	53.2 Å²	53.2	78%	0.777	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.3	177.4	0	0	0	0	0	114.2	P209	P209-A211 PolarHBondContact O-N 2.94Å
212	D	74.7	Confident	71	Confident	106 Å²	106	52.5 Å²	52.5	57%	0.567	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-104	14.2	-178.9	-61.2	-33.3	0	0	0	112.2	I208 P209 Y210	I208-D212 HydrophobicContact CG2-CB 3.79Å; P209-D212 WeakPolarHBondContact CD-OD2 3.45Å; P209-D212 HydrophobicContact CG-CB 4.24Å; P209-D212 WeakPolarHBondContact CG-OD2 3.22Å; P209-D212 PolarHBondContact O-N 3.09Å; Y210-D212 VanDerWaalsContact C-N 3.25Å; Y210-D212 PolarHBondContact O-N 2.69Å
213	W	73.4	Confident	68.6	Low	16 Å²	16	50.8 Å²	50.8	6%	0.061	28%	0.275	C	S	.	.			trans	-73.5	141.4	177.8	-75.8	14.9	0	0	0	111.3	F115 T118 Y122 I208 Y210 A217 T221 Y282	F115-W213 HydrophobicContact CB-CZ3 4.19Å; F115-W213 HydrophobicContact CD1-CE3 4.05Å; F115-W213 HydrophobicContact CD1-CH2 4.31Å; F115-W213 AromaticContact CD1-CZ3 3.72Å; F115-W213 HydrophobicContact CD1-CZ3 3.72Å; F115-W213 HydrophobicContact CG-CZ3 4.47Å; T118-W213 HydrophobicContact CG2-CH2 3.83Å; T118-W213 HydrophobicContact CG2-CZ2 3.87Å; Y122-W213 HydrophobicContact CE2-CZ2 4.24Å; I208-W213 PolarHBondContact O-NE1 2.83Å; Y210-W213 AromaticContact CD2-CD2 3.95Å; Y210-W213 HydrophobicContact CD2-CD2 3.95Å; Y210-W213 AromaticContact CD2-CE3 3.64Å; Y210-W213 HydrophobicContact CD2-CE3 3.64Å; Y210-W213 HydrophobicContact CD2-CH2 4.21Å; Y210-W213 HydrophobicContact CD2-CZ2 4.48Å; Y210-W213 AromaticContact CD2-CZ3 3.78Å; Y210-W213 HydrophobicContact CD2-CZ3 3.78Å; Y210-W213 HydrophobicContact CE2-CE3 4.06Å; Y210-W213 HydrophobicContact CE2-CZ3 4.23Å; Y210-W213 PolarHBondContact O-N 2.7Å; W213-A217 HydrophobicContact CB-CB 4.24Å; W213-A217 HydrophobicContact CE3-CB 4.24Å; W213-T221 HydrophobicContact CZ3-CG2 4Å; W213-T221 VanDerWaalsContact CZ3-OG1 3.25Å; W213-T221 WeakPolarHBondContact CZ3-OG1 3.49Å; W213-Y282 AromaticContact CD1-CD1 3.99Å; W213-Y282 HydrophobicContact CG-CD1 4.45Å; W213-Y282 WeakPolarHBondContact CZ2-O 3.03Å; W213-Y282 PolarHBondContact NE1-O 3.07Å
214	P	71.3	Confident	66.2	Low	34 Å²	34	49.7 Å²	49.7	22%	0.221	27%	0.272	C	S	.	.			trans	-65.7	155.2	174.4	30.4	-36.5	0	0	0	110.7	E216 A217 C218 F275 Y282	P214-E216 PolarHBondContact O-N 2.96Å; P214-A217 HydrophobicContact CG-CB 3.83Å; P214-A217 WeakPolarHBondContact O-CA 3.28Å; P214-A217 WeakPolarHBondContact O-CB 3.37Å; P214-A217 PolarHBondContact O-N 3.41Å; P214-C218 PolarHBondContact O-N 2.56Å; P214-F275 HydrophobicContact CG-CD2 4.38Å; P214-F275 HydrophobicContact CG-CE2 3.88Å; P214-Y282 VanDerWaalsContact CD-CE1 3.43Å; P214-Y282 HydrophobicContact CG-CE1 4.1Å; P214-Y282 HydrophobicContact CG-CE2 4.37Å
215	L	64.8	Low	63.5	Low	70 Å²	70	48.5 Å²	48.5	37%	0.366	27%	0.265	S	S	.	.	H	α-helix	trans	-53.8	-42	-176.1	-73.2	166.5	0	0	0	112	A217 C218 E219 L244	L215-A217 PolarHBondContact O-N 3.46Å; L215-C218 WeakPolarHBondContact O-CB 3.39Å; L215-C218 PolarHBondContact O-N 3.06Å; L215-C218 VanDerWaalsContact O-N 3.07Å; L215-E219 WeakPolarHBondContact O-CG 3.38Å; L215-E219 PolarHBondContact O-N 3.05Å; L215-L244 HydrophobicContact CD2-CD1 4.15Å
216	E	65.5	Low	61.1	Low	100 Å²	100	48.6 Å²	48.6	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-27.5	179.1	-56.9	84.2	171.5	0	0	112.8	P214 L220 F275	P214-E216 PolarHBondContact O-N 2.96Å; E216-L220 WeakPolarHBondContact O-CD1 3.34Å; E216-L220 VanDerWaalsContact O-CG 3.32Å; E216-L220 WeakPolarHBondContact O-CG 3.49Å; E216-F275 HydrophobicContact CB-CE2 4.13Å
217	A	64	Low	58.7	Low	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-80.6	-41.7	171.8	0	0	0	0	0	111.4	F115 W213 P214 L215 E219 L220 T221 F275	F115-A217 HydrophobicContact CD1-CB 3.92Å; F115-A217 HydrophobicContact CE1-CB 3.48Å; F115-A217 VanDerWaalsContact CE1-CB 3.48Å; F115-A217 HydrophobicContact CZ-CB 4.19Å; W213-A217 HydrophobicContact CB-CB 4.24Å; W213-A217 HydrophobicContact CE3-CB 4.24Å; P214-A217 HydrophobicContact CG-CB 3.83Å; P214-A217 WeakPolarHBondContact O-CA 3.28Å; P214-A217 WeakPolarHBondContact O-CB 3.37Å; P214-A217 PolarHBondContact O-N 3.41Å; L215-A217 PolarHBondContact O-N 3.46Å; A217-E219 PolarHBondContact O-N 3.23Å; A217-L220 PolarHBondContact O-N 2.89Å; A217-T221 PolarHBondContact O-N 3.15Å; A217-T221 PolarHBondContact O-OG1 3.16Å; A217-F275 HydrophobicContact CB-CE2 4.14Å; A217-F275 HydrophobicContact CB-CZ 4.04Å
218	C	62	Low	56.5	Low	25 Å²	25	49.3 Å²	49.3	17%	0.169	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-42.5	177.9	-68	0	0	0	0	112.1	P214 L215 T221 L222	P214-C218 PolarHBondContact O-N 2.56Å; L215-C218 WeakPolarHBondContact O-CB 3.39Å; L215-C218 PolarHBondContact O-N 3.06Å; L215-C218 VanDerWaalsContact O-N 3.07Å; C218-T221 VanDerWaalsContact O-CB 3.28Å; C218-T221 WeakPolarHBondContact O-CB 3.42Å; C218-T221 PolarHBondContact O-N 3.14Å; C218-L222 WeakPolarHBondContact O-CG 3.35Å; C218-L222 PolarHBondContact O-N 3.42Å
219	E	57.2	Low	54.4	Low	111 Å²	111	52.2 Å²	52.2	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-55.9	-53.6	174.1	-73.2	167.1	-177.3	0	0	111.3	L215 A217 T221 L222 Q223	L215-E219 WeakPolarHBondContact O-CG 3.38Å; L215-E219 PolarHBondContact O-N 3.05Å; A217-E219 PolarHBondContact O-N 3.23Å; E219-T221 PolarHBondContact O-N 3.11Å; E219-T221 VanDerWaalsContact O-N 3.14Å; E219-L222 PolarHBondContact O-N 2.9Å; E219-Q223 WeakPolarHBondContact O-CG 3.42Å
220	L	53.4	Low	52.5	Low	48 Å²	48	56.7 Å²	56.7	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-21.2	175.2	-66.7	171.4	0	0	0	113.8	F115 E216 A217 T224	F115-L220 HydrophobicContact CD2-CB 3.71Å; F115-L220 HydrophobicContact CD2-CD1 4.01Å; F115-L220 HydrophobicContact CE2-CB 4.2Å; F115-L220 HydrophobicContact CE2-CD1 3.63Å; F115-L220 HydrophobicContact CG-CB 4.18Å; F115-L220 HydrophobicContact CZ-CD1 4.34Å; E216-L220 WeakPolarHBondContact O-CD1 3.34Å; E216-L220 VanDerWaalsContact O-CG 3.32Å; E216-L220 WeakPolarHBondContact O-CG 3.49Å; A217-L220 PolarHBondContact O-N 2.89Å; L220-T224 PolarHBondContact O-OG1 2.86Å
221	T	50	Low	50.7	Low	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-79.8	-32.8	179.1	-47.5	0	0	0	0	112.7	F115 R119 Y210 W213 A217 C218 E219 Q223	F115-T221 HydrophobicContact CB-CG2 4.35Å; R119-T221 HydrophobicContact CB-CG2 3.72Å; R119-T221 HydrophobicContact CG-CG2 4.16Å; Y210-T221 HydrophobicContact CE2-CG2 3.91Å; W213-T221 HydrophobicContact CZ3-CG2 4Å; W213-T221 VanDerWaalsContact CZ3-OG1 3.25Å; W213-T221 WeakPolarHBondContact CZ3-OG1 3.49Å; A217-T221 PolarHBondContact O-N 3.15Å; A217-T221 PolarHBondContact O-OG1 3.16Å; C218-T221 VanDerWaalsContact O-CB 3.28Å; C218-T221 WeakPolarHBondContact O-CB 3.42Å; C218-T221 PolarHBondContact O-N 3.14Å; E219-T221 PolarHBondContact O-N 3.11Å; E219-T221 VanDerWaalsContact O-N 3.14Å; T221-Q223 VanDerWaalsContact C-N 3.35Å
222	L	43.5	Very low	48.6	Very low	39 Å²	39	57.3 Å²	57.3	20%	0.204	33%	0.326	C	S	.	.	H	α-helix	trans	-74.8	-29.7	-177.8	-68.5	156.7	0	0	0	111.6	C218 E219 T224 Y626	C218-L222 WeakPolarHBondContact O-CG 3.35Å; C218-L222 PolarHBondContact O-N 3.42Å; E219-L222 PolarHBondContact O-N 2.9Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 2.84Å; L222-Y626 HydrophobicContact CD1-CE1 3.82Å; L222-Y626 HydrophobicContact CD1-CE2 4.1Å; L222-Y626 VanDerWaalsContact CD1-CZ 3.49Å; L222-Y626 WeakPolarHBondContact CD1-OH 3.44Å; L222-Y626 HydrophobicContact CD2-CE1 3.93Å
223	Q	40.2	Very low	46.4	Very low	47 Å²	47	57.3 Å²	57.3	22%	0.22	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.5	-177.3	-64.5	169.4	1.2	0	0	114.9	E219 T221 E593 E594 E597	E219-Q223 WeakPolarHBondContact O-CG 3.42Å; T221-Q223 VanDerWaalsContact C-N 3.35Å; Q223-E593 CarbonylContact O-C 3.53Å; Q223-E593 VanDerWaalsContact O-CB 3.27Å; Q223-E593 WeakPolarHBondContact O-CB 3.39Å; Q223-E594 WeakPolarHBondContact O-CA 3.43Å; Q223-E594 PolarHBondContact O-N 2.92Å; Q223-E597 PolarHBondContact NE2-OE2 2.85Å
224	T	37.8	Very low	44.1	Very low	45 Å²	45	62 Å²	62	28%	0.276	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	13	-164.4	42.7	0	0	0	0	114.1	A116 L220 L222 E594	A116-T224 WeakPolarHBondContact CB-O 3.21Å; A116-T224 WeakPolarHBondContact CB-OG1 3.23Å; L220-T224 PolarHBondContact O-OG1 2.86Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 2.84Å; T224-E594 HydrophobicContact CG2-CB 4.02Å; T224-E594 HydrophobicContact CG2-CG 4.04Å
225	S	34.2	Very low	42	Very low	4 Å²	4	68.7 Å²	68.7	3%	0.028	40%	0.398	C	S	.	.			trans	-103.1	138.4	-167.1	74.4	0	0	0	0	114	R119 W227	R119-S225 VanDerWaalsContact NH1-CB 3.32Å; R119-S225 PolarHBondContact NH1-OG 2.89Å; S225-W227 PolarHBondContact O-N 2.94Å; S225-W227 PolarHBondContact OG-O 2.84Å
226	R	36.3	Very low	40.1	Very low	62 Å²	62	73.3 Å²	73.3	23%	0.234	42%	0.423	C	S	.	.	S	Bend	trans	-65.7	-0.6	178.6	-145.2	-173.6	-163.6	-175.7	-2.3	115.4	E120 A566	E120-R226 WeakPolarHBondContact OE2-CB 3.25Å; R226-A566 PolarHBondContact NH2-O 3.46Å
227	W	36	Very low	38.2	Very low	42 Å²	42	73.4 Å²	73.4	16%	0.159	44%	0.435	C	S	.	.			trans	-142.2	117.8	-167.9	-46.1	121.5	0	0	0	112.1	R119 S225 R349 W352	R119-W227 PolarHBondContact NH2-O 3.06Å; S225-W227 PolarHBondContact O-N 2.94Å; S225-W227 PolarHBondContact OG-O 2.84Å; W227-R349 HydrophobicContact CZ3-CG 4.32Å; W227-W352 HydrophobicContact CE3-CZ2 4.2Å; W227-W352 AromaticContact CH2-CH2 3.97Å; W227-W352 HydrophobicContact CH2-CH2 3.97Å; W227-W352 HydrophobicContact CH2-CZ2 4.34Å; W227-W352 AromaticContact CZ3-CH2 3.54Å; W227-W352 HydrophobicContact CZ3-CH2 3.54Å; W227-W352 AromaticContact CZ3-CZ2 3.46Å; W227-W352 HydrophobicContact CZ3-CZ2 3.46Å; W227-W352 VanDerWaalsContact CZ3-CZ2 3.46Å
228	S	36.8	Very low	36.5	Very low	59 Å²	59	79 Å²	79	41%	0.413	47%	0.474	S	S	.	.			trans	-63.5	156.1	162.9	58.3	0	0	0	0	111.4	N230	S228-N230 VanDerWaalsContact C-N 3.33Å; S228-N230 WeakPolarHBondContact CB-OD1 3.41Å; S228-N230 PolarHBondContact O-N 3.36Å; S228-N230 VanDerWaalsContact O-N 3.12Å; S228-N230 PolarHBondContact OG-OD1 3.19Å
229	V	34.8	Very low	34.8	Very low	101 Å²	101	82.4 Å²	82.4	61%	0.612	50%	0.498	S	S	*	.			trans	-85.6	75.6	174.9	-173.4	0	0	0	0	109.6	G231	V229-G231 PolarHBondContact O-N 3.21Å
230	N	30.6	Very low	33.4	Very low	113 Å²	113	83.5 Å²	83.5	60%	0.604	51%	0.507	S	S	*	.			trans	-76.5	74	172.4	-72.4	28.4	0	0	0	109.9	S228 S232	S228-N230 VanDerWaalsContact C-N 3.33Å; S228-N230 WeakPolarHBondContact CB-OD1 3.41Å; S228-N230 PolarHBondContact O-N 3.36Å; S228-N230 VanDerWaalsContact O-N 3.12Å; S228-N230 PolarHBondContact OG-OD1 3.19Å; N230-S232 PolarHBondContact O-N 3.4Å
231	G	30.1	Very low	32.5	Very low	63 Å²	63	86.7 Å²	86.7	65%	0.649	53%	0.53	S	S	*	.			trans	-74	51.5	-178.9	0	0	0	0	0	114.5	V229 S233	V229-G231 PolarHBondContact O-N 3.21Å; G231-S233 VanDerWaalsContact C-N 3.26Å; G231-S233 PolarHBondContact O-N 2.89Å
232	S	23.9	Very low	31.8	Very low	119 Å²	119	92.1 Å²	92.1	83%	0.832	56%	0.558	S	S	*	*			trans	-87.2	59.9	174.1	65.5	0	0	0	0	111.5	N230	N230-S232 PolarHBondContact O-N 3.4Å
233	S	28.6	Very low	31.3	Very low	106 Å²	106	97.3 Å²	97.3	74%	0.741	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-98.4	136.9	167.9	52.3	0	0	0	0	109.7	G231	G231-S233 VanDerWaalsContact C-N 3.26Å; G231-S233 PolarHBondContact O-N 2.89Å
234	S	25.2	Very low	31.1	Very low	113 Å²	113	99.9 Å²	99.9	79%	0.79	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-63.2	163.6	-172.2	57.1	0	0	0	0	114.4
235	E	26.3	Very low	30.9	Very low	176 Å²	176	99.6 Å²	99.6	82%	0.822	60%	0.6	S	S	*	*	S	Bend	trans	-49.9	165.5	170.6	-61.7	158.8	157.8	0	0	113.3
236	N	25	Very low	30.9	Very low	167 Å²	167	104.8 Å²	104.8	89%	0.893	62%	0.623	S	S	*	*			trans	87.7	45.4	-177.8	-51.5	-44.4	0	0	0	117.7
237	S	27.1	Very low	30.9	Very low	102 Å²	102	107.4 Å²	107.4	71%	0.713	64%	0.642	S	S	*	*			trans	-136.3	107.5	141.4	58.1	0	0	0	0	110.1
238	S	27.2	Very low	30.9	Very low	117 Å²	117	110.7 Å²	110.7	82%	0.818	66%	0.662	S	S	*	*			trans	-82.8	143.1	173.6	46.3	0	0	0	0	110.6
239	S	27.4	Very low	31	Very low	96 Å²	96	113.9 Å²	113.9	67%	0.671	67%	0.673	S	S	*	*	S	Bend	trans	69.8	147.5	-163.5	83.6	0	0	0	0	114.7
240	L	27.8	Very low	30.9	Very low	135 Å²	135	118 Å²	118	71%	0.707	68%	0.683	S	S	*	*	S	Bend	trans	62	76.6	-174.7	-55.1	169.7	0	0	0	114.5
241	P	33.9	Very low	31.2	Very low	114 Å²	114	120.9 Å²	120.9	74%	0.74	69%	0.69	S	S	*	*	S	Bend		-138.4	14.3	93.6	38.7	-27.7	0	0	0	115.7	K243	P241-K243 PolarHBondContact O-N 2.88Å
242	I	34.5	Very low	31.4	Very low	114 Å²	114	120.8 Å²	120.8	59%	0.585	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-25.1	-170.5	-64.1	173.2	0	0	0	114.4	L244 Q246	I242-L244 PolarHBondContact O-N 2.72Å; I242-Q246 HydrophobicContact CG2-CG 4.07Å; I242-Q246 PolarHBondContact O-N 2.83Å
243	K	33.9	Very low	31.5	Very low	148 Å²	148	119.7 Å²	119.7	64%	0.643	67%	0.665	S	S	*	*	H	α-helix	trans	-65.7	-27.6	-172.5	-80.5	-176.6	175	176.4	0	115.2	P241 L247	P241-K243 PolarHBondContact O-N 2.88Å; K243-L247 PolarHBondContact O-N 3.24Å; K243-L247 VanDerWaalsContact O-N 3.1Å
244	L	34.8	Very low	31.7	Very low	101 Å²	101	122.2 Å²	122.2	53%	0.529	67%	0.669	S	S	.	*	H	α-helix	trans	-71	-44.7	-175.2	-167.2	65.7	0	0	0	111.7	L215 I242 L247 L248	L215-L244 HydrophobicContact CD2-CD1 4.15Å; I242-L244 PolarHBondContact O-N 2.72Å; L244-L247 PolarHBondContact O-N 2.92Å; L244-L248 PolarHBondContact O-N 2.89Å
245	G	33.8	Very low	31.8	Very low	40 Å²	40	122.1 Å²	122.1	41%	0.412	66%	0.66	S	S	.	*	H	α-helix	trans	-65.8	-39.3	174	0	0	0	0	0	112.9	L247 L248 L249	G245-L247 VanDerWaalsContact C-N 3.31Å; G245-L247 PolarHBondContact O-N 3.36Å; G245-L248 PolarHBondContact O-N 2.99Å; G245-L249 PolarHBondContact O-N 3.38Å; G245-L249 VanDerWaalsContact O-N 3.14Å
246	Q	35.2	Very low	31.9	Very low	112 Å²	112	119 Å²	119	52%	0.523	66%	0.657	S	S	.	*	H	α-helix	trans	-67.2	-27.6	178.3	-71.8	-176.6	-20.7	0	0	113.7	I242 K250	I242-Q246 HydrophobicContact CG2-CG 4.07Å; I242-Q246 PolarHBondContact O-N 2.83Å; Q246-K250 PolarHBondContact O-N 2.83Å; Q246-K250 VanDerWaalsContact O-N 3.15Å
247	L	36.7	Very low	32	Very low	118 Å²	118	115 Å²	115	62%	0.618	65%	0.648	S	S	*	*	H	α-helix	trans	-75.2	-28.6	174.3	-88.9	164.8	0	0	0	113.3	K243 L244 G245	K243-L247 PolarHBondContact O-N 3.24Å; K243-L247 VanDerWaalsContact O-N 3.1Å; L244-L247 PolarHBondContact O-N 2.92Å; G245-L247 VanDerWaalsContact C-N 3.31Å; G245-L247 PolarHBondContact O-N 3.36Å
248	L	36.1	Very low	32	Very low	110 Å²	110	122.1 Å²	122.1	58%	0.576	66%	0.659	S	S	*	*	H	α-helix	trans	-72.3	-39.5	171.9	-68.2	170	0	0	0	111.3	L244 G245 K251	L244-L248 PolarHBondContact O-N 2.89Å; G245-L248 PolarHBondContact O-N 2.99Å; L248-K251 PolarHBondContact O-N 2.85Å
249	L	38.1	Very low	32.2	Very low	126 Å²	126	122.6 Å²	122.6	66%	0.66	66%	0.656	S	S	*	*	H	α-helix	trans	-66.4	-33.6	175.6	-77.5	161.1	0	0	0	113.3	G245 K251 S252	G245-L249 PolarHBondContact O-N 3.38Å; G245-L249 VanDerWaalsContact O-N 3.14Å; L249-K251 PolarHBondContact O-N 3.22Å; L249-S252 PolarHBondContact O-OG 3.36Å; L249-S252 VanDerWaalsContact O-OG 3.11Å
250	K	33.1	Very low	32.2	Very low	188 Å²	188	128.2 Å²	128.2	82%	0.817	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	16.5	178.5	-81	-163.8	170.8	-167.3	0	115.5	Q246	Q246-K250 PolarHBondContact O-N 2.83Å; Q246-K250 VanDerWaalsContact O-N 3.15Å
251	K	36.7	Very low	32.2	Very low	174 Å²	174	129.4 Å²	129.4	76%	0.757	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	1.7	-178.4	-139.6	174.6	-174.9	177.5	0	114.4	L248 L249	L248-K251 PolarHBondContact O-N 2.85Å; L249-K251 PolarHBondContact O-N 3.22Å
252	S	33.3	Very low	31.9	Very low	60 Å²	60	130.5 Å²	130.5	42%	0.42	67%	0.67	S	S	.	*	S	Bend	trans	-89.7	-52.9	171.7	41.3	0	0	0	0	112.8	L249 L254	L249-S252 PolarHBondContact O-OG 3.36Å; L249-S252 VanDerWaalsContact O-OG 3.11Å; S252-L254 VanDerWaalsContact C-N 3.3Å; S252-L254 PolarHBondContact O-N 3.07Å
253	N	27.8	Very low	31.5	Very low	97 Å²	97	136.3 Å²	136.3	52%	0.519	69%	0.687	S	S	.	*	S	Bend	trans	-79.2	68.3	-169.2	-53.2	56.6	0	0	0	112.6	E846	N253-E846 PolarHBondContact ND2-OE1 2.85Å
254	L	31.6	Very low	31.1	Very low	159 Å²	159	136.4 Å²	136.4	83%	0.832	69%	0.694	S	S	*	*			trans	-150.5	52.3	169.3	-138.6	168.3	0	0	0	112	S252	S252-L254 VanDerWaalsContact C-N 3.3Å; S252-L254 PolarHBondContact O-N 3.07Å
255	D	28.6	Very low	30.8	Very low	111 Å²	111	143.4 Å²	143.4	59%	0.594	71%	0.713	S	S	*	*			trans	-84.3	156.1	-178.9	-153	-1.3	0	0	0	112.8
256	S	27.8	Very low	30.6	Very low	109 Å²	109	146.3 Å²	146.3	76%	0.762	73%	0.727	S	S	*	*			trans	70.8	31.5	159.1	78.1	0	0	0	0	122.8
257	A	27.7	Very low	30.3	Very low	85 Å²	85	149.9 Å²	149.9	70%	0.702	74%	0.744	S	S	*	*			trans	-106.4	71.7	172.1	0	0	0	0	0	116	V259	A257-V259 PolarHBondContact O-N 3.28Å
258	R	26.8	Very low	30.2	Very low	250 Å²	250	149 Å²	149	94%	0.943	74%	0.74	S	S	*	*			trans	26.8	85.5	162.9	-65.9	-177.7	175.9	177.7	0.5	118.7
259	V	31.3	Very low	30.6	Very low	127 Å²	127	151.4 Å²	151.4	77%	0.77	75%	0.748	S	S	*	*			trans	-130.9	107.9	153.9	-177.9	0	0	0	0	111.3	A257 Q261	A257-V259 PolarHBondContact O-N 3.28Å; V259-Q261 HydrophobicContact CG1-CB 4.35Å; V259-Q261 PolarHBondContact O-N 3.44Å
260	K	26.4	Very low	31.2	Very low	214 Å²	214	149.1 Å²	149.1	93%	0.93	73%	0.733	S	S	*	*			trans	-78.5	93.1	162.9	-78.3	-176.3	176.2	179.5	0	109.1
261	Q	28.9	Very low	32.2	Very low	160 Å²	160	143.5 Å²	143.5	75%	0.748	71%	0.712	S	S	*	*			trans	-157.1	130.5	158.1	-117.2	163.4	24.7	0	0	114.3	V259	V259-Q261 HydrophobicContact CG1-CB 4.35Å; V259-Q261 PolarHBondContact O-N 3.44Å
262	N	27	Very low	33.4	Very low	138 Å²	138	139.3 Å²	139.3	74%	0.738	70%	0.702	S	S	*	*			trans	58.2	83.9	154.6	-57.3	-6.8	0	0	0	118.5	N264	N262-N264 PolarHBondContact O-N 2.7Å; N262-N264 VanDerWaalsContact O-N 3.12Å
263	Y	26.2	Very low	34.9	Very low	236 Å²	236	140.4 Å²	140.4	93%	0.925	70%	0.698	S	S	*	*			trans	-54.1	108.9	135.7	-85.3	-104.2	0	0	0	109.1
264	N	25.7	Very low	36.8	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	70%	0.698	S	S	*	*			trans	-173.5	84.5	157.7	-98.8	-12.6	0	0	0	108	N262	N262-N264 PolarHBondContact O-N 2.7Å; N262-N264 VanDerWaalsContact O-N 3.12Å
265	R	28	Very low	38.5	Very low	249 Å²	249	133.8 Å²	133.8	94%	0.94	66%	0.662	S	S	*	*			trans	-125.3	67.3	175.1	-156.9	175	-168.8	-173.5	2.1	111
266	S	29.7	Very low	40.3	Very low	101 Å²	101	128.7 Å²	128.7	71%	0.706	64%	0.636	S	S	*	*	S	Bend	trans	-149.2	60.5	179.7	59.8	0	0	0	0	110.7
267	E	30.1	Very low	42.5	Very low	186 Å²	186	125.3 Å²	125.3	87%	0.869	61%	0.609	S	S	*	*	S	Bend	trans	-164.8	-26.9	164.1	-118.1	167	-157.8	0	0	115
268	D	33.9	Very low	45.1	Very low	100 Å²	100	125.3 Å²	125.3	54%	0.535	59%	0.593	S	S	.	*			trans	-107.3	103.6	-174.5	-76.9	-52.7	0	0	0	115.6	K270	D268-K270 VanDerWaalsContact C-N 3.33Å; D268-K270 WeakPolarHBondContact OD1-CD 3.31Å
269	E	44	Very low	47.7	Very low	160 Å²	160	113.8 Å²	113.8	75%	0.748	55%	0.55	S	S	*	.			trans	-97.2	37.5	151.6	-75.4	-160.6	107.8	0	0	111.1	K601	E269-K601 WeakPolarHBondContact OE1-CE 3.33Å; E269-K601 IonicContact OE1-NZ 2.74Å; E269-K601 PolarHBondContact OE1-NZ 3.31Å
270	K	50.1	Low	50.3	Low	79 Å²	79	109.6 Å²	109.6	34%	0.343	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-100.2	131.5	-172.6	-67.2	-174.7	176.9	172.4	0	112.4	P31 D268	P31-K270 HydrophobicContact CG-CD 3.7Å; P31-K270 PolarHBondContact O-NZ 2.97Å; D268-K270 VanDerWaalsContact C-N 3.33Å; D268-K270 WeakPolarHBondContact OD1-CD 3.31Å
271	L	54.5	Low	53.2	Low	70 Å²	70	104.6 Å²	104.6	37%	0.366	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-60.6	136	175.1	-76.4	161.7	0	0	0	110.3	Y273 F275	L271-Y273 PolarHBondContact O-N 3.4Å; L271-F275 HydrophobicContact CB-CD1 4.41Å; L271-F275 HydrophobicContact CD1-CD1 4.43Å; L271-F275 HydrophobicContact CD1-CE1 4.33Å; L271-F275 HydrophobicContact CD2-CD1 3.89Å; L271-F275 HydrophobicContact CD2-CE1 3.92Å; L271-F275 HydrophobicContact CD2-CG 4.47Å; L271-F275 HydrophobicContact CG-CD1 4.48Å
272	P	62.9	Low	55.8	Low	86 Å²	86	98.1 Å²	98.1	56%	0.558	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-56.1	140	179.2	-26.5	34.7	0	0	0	112	D274 F275 A276	P272-D274 PolarHBondContact O-N 3.21Å; P272-D274 VanDerWaalsContact O-N 3.14Å; P272-F275 HydrophobicContact CB-CB 4.35Å; P272-F275 WeakPolarHBondContact O-CA 3.35Å; P272-F275 VanDerWaalsContact O-CB 3.31Å; P272-F275 WeakPolarHBondContact O-CB 3.49Å; P272-F275 PolarHBondContact O-N 3.25Å; P272-A276 PolarHBondContact O-N 2.76Å
273	Y	63.2	Low	58.3	Low	83 Å²	83	91.5 Å²	91.5	33%	0.325	43%	0.434	S	S	.	.	H	α-helix	trans	-51.6	-40.6	179	172.9	-90.9	0	0	0	112.8	L20 L46 L271 F275 A276 N277	L20-Y273 HydrophobicContact CD1-CE2 3.98Å; L20-Y273 HydrophobicContact CD2-CE2 4.14Å; L46-Y273 HydrophobicContact CD2-CD2 3.81Å; L46-Y273 HydrophobicContact CD2-CE2 3.5Å; L271-Y273 PolarHBondContact O-N 3.4Å; Y273-F275 VanDerWaalsContact C-N 3.27Å; Y273-F275 PolarHBondContact O-N 3.05Å; Y273-A276 PolarHBondContact O-N 2.96Å; Y273-N277 HydrophobicContact CE1-CB 4.41Å; Y273-N277 VanDerWaalsContact O-CB 3.32Å; Y273-N277 WeakPolarHBondContact O-CB 3.37Å; Y273-N277 PolarHBondContact O-N 3.01Å
274	D	68.7	Low	61.3	Low	99 Å²	99	80.3 Å²	80.3	53%	0.529	39%	0.39	S	S	.	.	H	α-helix	trans	-69	-21.1	177.6	-80.6	-6.1	0	0	0	113.7	P272 K278	P272-D274 PolarHBondContact O-N 3.21Å; P272-D274 VanDerWaalsContact O-N 3.14Å; D274-K278 WeakPolarHBondContact O-CB 3.43Å; D274-K278 WeakPolarHBondContact O-CD 3.42Å; D274-K278 WeakPolarHBondContact O-CE 3.3Å; D274-K278 WeakPolarHBondContact O-CG 3.43Å
275	F	67.6	Low	64.4	Low	18 Å²	18	73.2 Å²	73.2	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-79.3	-53.6	168.7	-175.7	-82.5	0	0	0	109.5	F115 P214 E216 A217 L271 P272 Y273 N277 K278 I279	F115-F275 HydrophobicContact CE1-CZ 4.3Å; F115-F275 HydrophobicContact CE2-CE1 4.48Å; F115-F275 HydrophobicContact CE2-CZ 4.5Å; F115-F275 AromaticContact CZ-CE1 3.82Å; F115-F275 HydrophobicContact CZ-CE1 3.82Å; F115-F275 AromaticContact CZ-CZ 3.67Å; F115-F275 HydrophobicContact CZ-CZ 3.67Å; P214-F275 HydrophobicContact CG-CD2 4.38Å; P214-F275 HydrophobicContact CG-CE2 3.88Å; E216-F275 HydrophobicContact CB-CE2 4.13Å; A217-F275 HydrophobicContact CB-CE2 4.14Å; A217-F275 HydrophobicContact CB-CZ 4.04Å; L271-F275 HydrophobicContact CB-CD1 4.41Å; L271-F275 HydrophobicContact CD1-CD1 4.43Å; L271-F275 HydrophobicContact CD1-CE1 4.33Å; L271-F275 HydrophobicContact CD2-CD1 3.89Å; L271-F275 HydrophobicContact CD2-CE1 3.92Å; L271-F275 HydrophobicContact CD2-CG 4.47Å; L271-F275 HydrophobicContact CG-CD1 4.48Å; P272-F275 HydrophobicContact CB-CB 4.35Å; P272-F275 WeakPolarHBondContact O-CA 3.35Å; P272-F275 VanDerWaalsContact O-CB 3.31Å; P272-F275 WeakPolarHBondContact O-CB 3.49Å; P272-F275 PolarHBondContact O-N 3.25Å; Y273-F275 VanDerWaalsContact C-N 3.27Å; Y273-F275 PolarHBondContact O-N 3.05Å; F275-N277 VanDerWaalsContact C-N 3.29Å; F275-N277 PolarHBondContact O-N 2.92Å; F275-K278 CarbonylContact O-C 3.59Å; F275-K278 WeakPolarHBondContact O-CA 3.5Å; F275-K278 WeakPolarHBondContact O-CB 3.44Å; F275-K278 PolarHBondContact O-N 3.43Å; F275-I279 HydrophobicContact CD1-CD1 4.17Å; F275-I279 HydrophobicContact CD1-CG1 3.99Å; F275-I279 HydrophobicContact CE1-CD1 4.1Å; F275-I279 HydrophobicContact CE1-CG1 3.93Å; F275-I279 PolarHBondContact O-N 3.01Å
276	A	66.9	Low	67.5	Low	4 Å²	4	61.4 Å²	61.4	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-55	-41.6	-178.7	0	0	0	0	0	112.9	L46 P272 Y273 K278 I279	L46-A276 HydrophobicContact CD2-CB 4.13Å; P272-A276 PolarHBondContact O-N 2.76Å; Y273-A276 PolarHBondContact O-N 2.96Å; A276-K278 VanDerWaalsContact C-N 3.29Å; A276-K278 PolarHBondContact O-N 3.07Å; A276-I279 PolarHBondContact O-N 3.16Å
277	N	74.1	Confident	70.5	Confident	37 Å²	37	58.2 Å²	58.2	20%	0.198	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.2	176.4	-169.2	17.7	0	0	0	113	L46 K52 Y273 F275	L46-N277 HydrophobicContact CD2-CB 3.94Å; K52-N277 PolarHBondContact NZ-O 3Å; K52-N277 PolarHBondContact NZ-OD1 3.27Å; K52-N277 VanDerWaalsContact NZ-OD1 3.15Å; Y273-N277 HydrophobicContact CE1-CB 4.41Å; Y273-N277 VanDerWaalsContact O-CB 3.32Å; Y273-N277 WeakPolarHBondContact O-CB 3.37Å; Y273-N277 PolarHBondContact O-N 3.01Å; F275-N277 VanDerWaalsContact C-N 3.29Å; F275-N277 PolarHBondContact O-N 2.92Å
278	K	82	Confident	73.6	Confident	86 Å²	86	49.8 Å²	49.8	37%	0.374	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.3	176.7	-69.2	173.2	-157.9	159.6	0	114.1	D274 F275 A276 E280 K281 Y282	D274-K278 WeakPolarHBondContact O-CB 3.43Å; D274-K278 WeakPolarHBondContact O-CD 3.42Å; D274-K278 WeakPolarHBondContact O-CE 3.3Å; D274-K278 WeakPolarHBondContact O-CG 3.43Å; F275-K278 CarbonylContact O-C 3.59Å; F275-K278 WeakPolarHBondContact O-CA 3.5Å; F275-K278 WeakPolarHBondContact O-CB 3.44Å; F275-K278 PolarHBondContact O-N 3.43Å; A276-K278 VanDerWaalsContact C-N 3.29Å; A276-K278 PolarHBondContact O-N 3.07Å; K278-E280 PolarHBondContact O-N 3.39Å; K278-E280 VanDerWaalsContact O-N 3.14Å; K278-K281 WeakPolarHBondContact O-CA 3.39Å; K278-K281 VanDerWaalsContact O-CB 3.31Å; K278-K281 WeakPolarHBondContact O-CB 3.38Å; K278-K281 PolarHBondContact O-N 3.03Å; K278-Y282 HydrophobicContact CB-CD2 4.06Å; K278-Y282 HydrophobicContact CB-CE2 3.45Å; K278-Y282 VanDerWaalsContact CB-CE2 3.45Å; K278-Y282 HydrophobicContact CD-CE2 4.36Å; K278-Y282 VanDerWaalsContact O-CD2 3.27Å; K278-Y282 WeakPolarHBondContact O-CD2 3.46Å; K278-Y282 PolarHBondContact O-N 3.01Å
279	I	80.8	Confident	76.4	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-50.5	-41.7	178.6	-72.1	176.2	0	0	0	111.7	P112 F275 A276 K281 Y282 C283	P112-I279 HydrophobicContact CB-CG2 3.57Å; P112-I279 HydrophobicContact CG-CG2 4.1Å; F275-I279 HydrophobicContact CD1-CD1 4.17Å; F275-I279 HydrophobicContact CD1-CG1 3.99Å; F275-I279 HydrophobicContact CE1-CD1 4.1Å; F275-I279 HydrophobicContact CE1-CG1 3.93Å; F275-I279 PolarHBondContact O-N 3.01Å; A276-I279 PolarHBondContact O-N 3.16Å; I279-K281 PolarHBondContact O-N 3.4Å; I279-Y282 PolarHBondContact O-N 3.36Å; I279-Y282 VanDerWaalsContact O-N 3.11Å; I279-C283 HydrophobicContact CG2-CB 4.4Å; I279-C283 PolarHBondContact O-N 3.15Å
280	E	86.3	Confident	78.7	Confident	40 Å²	40	46.4 Å²	46.4	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-51.9	-36.2	172.9	-179	178.2	-156.4	0	0	113.9	K52 F110 V204 K278 G284 Y287	K52-E280 IonicContact NZ-OE2 3.85Å; K52-E280 PolarHBondContact NZ-OE2 3.35Å; F110-E280 HydrophobicContact CE1-CB 3.72Å; F110-E280 HydrophobicContact CE1-CG 4.09Å; F110-E280 HydrophobicContact CE2-CB 4.49Å; F110-E280 HydrophobicContact CE2-CG 3.99Å; F110-E280 HydrophobicContact CZ-CB 3.73Å; F110-E280 HydrophobicContact CZ-CG 3.71Å; V204-E280 HydrophobicContact CG1-CG 4.04Å; K278-E280 PolarHBondContact O-N 3.39Å; K278-E280 VanDerWaalsContact O-N 3.14Å; E280-G284 VanDerWaalsContact O-CA 3.31Å; E280-G284 WeakPolarHBondContact O-CA 3.49Å; E280-G284 PolarHBondContact O-N 3.5Å; E280-G284 VanDerWaalsContact O-N 3.1Å; E280-Y287 WeakPolarHBondContact OE1-CE2 3.49Å; E280-Y287 PolarHBondContact OE1-OH 3.03Å
281	K	86.4	Confident	80.5	Confident	108 Å²	108	45.8 Å²	45.8	47%	0.47	22%	0.216	S	C	.	.	H	α-helix	trans	-81	-28.7	-179.6	-61.9	-170.6	177.8	-171.3	0	113.5	T207 I208 K278 I279	T207-K281 PolarHBondContact N-O 3.21Å; T207-K281 VanDerWaalsContact OG1-CB 3.31Å; T207-K281 WeakPolarHBondContact OG1-CB 3.46Å; T207-K281 PolarHBondContact OG1-O 3.1Å; I208-K281 HydrophobicContact CD1-CB 3.85Å; I208-K281 HydrophobicContact CG1-CB 4.24Å; I208-K281 PolarHBondContact N-O 3.3Å; K278-K281 WeakPolarHBondContact O-CA 3.39Å; K278-K281 VanDerWaalsContact O-CB 3.31Å; K278-K281 WeakPolarHBondContact O-CB 3.38Å; K278-K281 PolarHBondContact O-N 3.03Å; I279-K281 PolarHBondContact O-N 3.4Å
282	Y	82.9	Confident	82.1	Confident	24 Å²	24	44.5 Å²	44.5	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-84	-54.2	177.3	-59.4	-60.7	0	0	0	111.1	P206 I208 W213 P214 K278 I279	P206-Y282 WeakPolarHBondContact CB-O 3.48Å; I208-Y282 HydrophobicContact CB-CD1 4.04Å; I208-Y282 HydrophobicContact CB-CE1 4.41Å; I208-Y282 HydrophobicContact CD1-CD1 3.7Å; I208-Y282 HydrophobicContact CD1-CE1 3.42Å; I208-Y282 VanDerWaalsContact CD1-CE1 3.42Å; I208-Y282 HydrophobicContact CG1-CD1 4.45Å; I208-Y282 HydrophobicContact CG1-CE1 4.5Å; I208-Y282 HydrophobicContact CG2-CD1 4.05Å; I208-Y282 HydrophobicContact CG2-CE1 4.15Å; W213-Y282 AromaticContact CD1-CD1 3.99Å; W213-Y282 HydrophobicContact CG-CD1 4.45Å; W213-Y282 WeakPolarHBondContact CZ2-O 3.03Å; W213-Y282 PolarHBondContact NE1-O 3.07Å; P214-Y282 VanDerWaalsContact CD-CE1 3.43Å; P214-Y282 HydrophobicContact CG-CE1 4.1Å; P214-Y282 HydrophobicContact CG-CE2 4.37Å; K278-Y282 HydrophobicContact CB-CD2 4.06Å; K278-Y282 HydrophobicContact CB-CE2 3.45Å; K278-Y282 VanDerWaalsContact CB-CE2 3.45Å; K278-Y282 HydrophobicContact CD-CE2 4.36Å; K278-Y282 VanDerWaalsContact O-CD2 3.27Å; K278-Y282 WeakPolarHBondContact O-CD2 3.46Å; K278-Y282 PolarHBondContact O-N 3.01Å; I279-Y282 PolarHBondContact O-N 3.36Å; I279-Y282 VanDerWaalsContact O-N 3.11Å
283	C	81	Confident	83.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-90.6	-28.2	-171.7	-54.8	0	0	0	0	113.9	F113 F115 T118 I279	F113-C283 HydrophobicContact CB-CB 4.4Å; F113-C283 WeakPolarHBondContact O-CB 3.41Å; F115-C283 WeakPolarHBondContact CD1-SG 3.47Å; F115-C283 WeakPolarHBondContact CE1-SG 3.47Å; T118-C283 VanDerWaalsContact CG2-O 3.23Å; T118-C283 WeakPolarHBondContact CG2-O 3.32Å; T118-C283 PolarHBondContact OG1-O 3.46Å; T118-C283 VanDerWaalsContact OG1-O 3.07Å; I279-C283 HydrophobicContact CG2-CB 4.4Å; I279-C283 PolarHBondContact O-N 3.15Å
284	G	88.2	Confident	84.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.			trans	65.9	-165.8	-156.4	0	0	0	0	0	111.5	F113 V204 E280	F113-G284 PolarHBondContact N-O 3.46Å; F113-G284 VanDerWaalsContact N-O 3.16Å; V204-G284 VanDerWaalsContact O-CA 3.28Å; V204-G284 WeakPolarHBondContact O-CA 3.45Å; E280-G284 VanDerWaalsContact O-CA 3.31Å; E280-G284 WeakPolarHBondContact O-CA 3.49Å; E280-G284 PolarHBondContact O-N 3.5Å; E280-G284 VanDerWaalsContact O-N 3.1Å
285	G	90.6	Very high	85.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-150.7	-177.9	0	0	0	0	0	112.8	I111 F113 V204	I111-G285 CarbonylContact O-C 3.58Å; I111-G285 VanDerWaalsContact O-CA 3.25Å; I111-G285 WeakPolarHBondContact O-CA 3.47Å; F113-G285 VanDerWaalsContact CD2-CA 3.44Å; F113-G285 VanDerWaalsContact CD2-N 3.32Å; F113-G285 VanDerWaalsContact CE2-CA 3.5Å; V204-G285 PolarHBondContact N-O 2.83Å; V204-G285 PolarHBondContact O-N 2.63Å
286	V	93.3	Very high	86.1	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131	-177.9	170.4	0	0	0	0	111.2	F110 I111 F113 V183 L185 F201 T202 I203 I288 L299	F110-V286 CarbonylContact C-O 3.59Å; F110-V286 WeakPolarHBondContact CA-O 3.5Å; I111-V286 PolarHBondContact N-O 2.94Å; I111-V286 PolarHBondContact O-N 2.81Å; F113-V286 HydrophobicContact CE1-CG2 4.46Å; F113-V286 HydrophobicContact CZ-CG2 4.01Å; V183-V286 HydrophobicContact CG1-CG2 4.46Å; L185-V286 HydrophobicContact CD2-CG1 4.28Å; F201-V286 HydrophobicContact CB-CG1 3.58Å; F201-V286 HydrophobicContact CD2-CB 4.43Å; F201-V286 HydrophobicContact CD2-CG1 3.51Å; F201-V286 HydrophobicContact CD2-CG2 3.99Å; F201-V286 HydrophobicContact CE2-CG1 4.47Å; F201-V286 HydrophobicContact CE2-CG2 4.24Å; F201-V286 HydrophobicContact CG-CG1 3.83Å; T202-V286 CarbonylContact O-C 3.59Å; T202-V286 WeakPolarHBondContact O-CA 3.39Å; I203-V286 HydrophobicContact CG1-CG2 4.42Å; V286-I288 HydrophobicContact CG1-CG2 4.46Å; V286-L299 HydrophobicContact CB-CD1 4.19Å; V286-L299 HydrophobicContact CB-CD2 3.86Å; V286-L299 HydrophobicContact CG1-CD2 4.32Å; V286-L299 HydrophobicContact CG2-CD1 4.02Å; V286-L299 HydrophobicContact CG2-CD2 3.62Å
287	Y	94.1	Very high	87.2	Confident	35 Å²	35	33.6 Å²	33.6	14%	0.137	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.3	164.3	-85.6	-78.8	0	0	0	111.9	A108 V109 F110 F201 T202 V204 E280	A108-Y287 HydrophobicContact CB-CD1 4.21Å; A108-Y287 HydrophobicContact CB-CE1 4.44Å; V109-Y287 CarbonylContact O-C 3.27Å; V109-Y287 VanDerWaalsContact O-CA 3.27Å; V109-Y287 WeakPolarHBondContact O-CA 3.34Å; F110-Y287 HydrophobicContact CB-CD1 4Å; F110-Y287 HydrophobicContact CB-CE1 3.6Å; F110-Y287 HydrophobicContact CB-CE2 4.28Å; F110-Y287 AromaticContact CD2-CD2 3.94Å; F110-Y287 HydrophobicContact CD2-CD2 3.94Å; F110-Y287 AromaticContact CD2-CE2 3.71Å; F110-Y287 HydrophobicContact CD2-CE2 3.71Å; F110-Y287 HydrophobicContact CD2-CG 4.39Å; F110-Y287 HydrophobicContact CG-CE1 4.46Å; F110-Y287 HydrophobicContact CG-CE2 4.3Å; F201-Y287 WeakPolarHBondContact CA-O 3.47Å; T202-Y287 PolarHBondContact N-O 3.02Å; T202-Y287 PolarHBondContact O-N 2.92Å; V204-Y287 HydrophobicContact CG2-CD2 3.38Å; V204-Y287 HydrophobicContact CG2-CE2 3.67Å; E280-Y287 WeakPolarHBondContact OE1-CE2 3.49Å; E280-Y287 PolarHBondContact OE1-OH 3.03Å
288	I	94.4	Very high	87.7	Confident	8 Å²	8	31.9 Å²	31.9	4%	0.041	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.3	161.8	57.3	175.5	0	0	0	110.8	A108 V109 L185 V198 F201 V286 Y297	A108-I288 CarbonylContact C-O 3.6Å; A108-I288 WeakPolarHBondContact CA-O 3.32Å; V109-I288 HydrophobicContact CB-CD1 4.37Å; V109-I288 HydrophobicContact CB-CG1 3.81Å; V109-I288 HydrophobicContact CG1-CG1 4.44Å; V109-I288 PolarHBondContact N-O 2.65Å; V109-I288 PolarHBondContact O-N 3.5Å; L185-I288 HydrophobicContact CD2-CD1 4.28Å; L185-I288 HydrophobicContact CD2-CG2 3.29Å; V198-I288 HydrophobicContact CG1-CG2 4.31Å; F201-I288 HydrophobicContact CB-CG2 3.66Å; V286-I288 HydrophobicContact CG1-CG2 4.46Å; I288-Y297 HydrophobicContact CD1-CD1 3.94Å; I288-Y297 HydrophobicContact CD1-CE1 3.35Å; I288-Y297 HydrophobicContact CD1-CE2 4.4Å
289	Y	93.4	Very high	87.9	Confident	164 Å²	164	27.8 Å²	27.8	64%	0.643	12%	0.124	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.7	169.5	-65.7	-92	0	0	0	108.9	V107 A108	V107-Y289 WeakPolarHBondContact O-CA 3.28Å; A108-Y289 HydrophobicContact CB-CD1 3.95Å; A108-Y289 HydrophobicContact CB-CE1 3.66Å
290	T	91.7	Very high	87.8	Confident	26 Å²	26	27.6 Å²	27.6	16%	0.16	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.9	178.8	-179.9	0	0	0	0	111.3	P106 V107 V109 E292 L293	P106-T290 CarbonylContact C-O 3.52Å; P106-T290 WeakPolarHBondContact CA-O 3.47Å; V107-T290 HydrophobicContact CG2-CG2 4.31Å; V107-T290 WeakPolarHBondContact CG2-O 3.27Å; V107-T290 PolarHBondContact N-O 3.13Å; V107-T290 PolarHBondContact O-N 3.49Å; V109-T290 HydrophobicContact CG2-CG2 4.18Å; T290-E292 PolarHBondContact OG1-N 3.09Å; T290-E292 VanDerWaalsContact OG1-N 3.1Å; T290-E292 PolarHBondContact OG1-O 3.07Å; T290-L293 HydrophobicContact CG2-CD2 3.65Å
291	E	88.1	Confident	87.3	Confident	65 Å²	65	25.9 Å²	25.9	30%	0.304	12%	0.115	S	C	.	.	S	Bend	trans	-91.1	-21.8	169.4	-66.5	178.1	-167.9	0	0	112.3	R102 F103 P106	R102-E291 HydrophobicContact CG-CB 3.88Å; R102-E291 WeakPolarHBondContact CG-O 3.49Å; R102-E291 IonicContact CZ-OE2 2.77Å; R102-E291 IonicContact NE-OE2 2.73Å; R102-E291 PolarHBondContact NE-OE2 3.47Å; R102-E291 IonicContact NH2-OE2 3.24Å; R102-E291 PolarHBondContact NH2-OE2 3.41Å; F103-E291 PolarHBondContact N-O 3.25Å; P106-E291 HydrophobicContact CB-CG 4.4Å; P106-E291 HydrophobicContact CG-CG 3.98Å
292	E	87.6	Confident	86.8	Confident	43 Å²	43	21.7 Å²	21.7	20%	0.201	10%	0.099	C	C	.	.			trans	-112.6	114.3	-179.7	-71.5	-174.3	-154.1	0	0	110.9	R102 R189 T290 N294	R102-E292 HydrophobicContact CB-CG 4Å; R102-E292 HydrophobicContact CG-CG 3.69Å; R102-E292 IonicContact CZ-OE1 3.19Å; R102-E292 IonicContact NE-OE1 3.22Å; R102-E292 IonicContact NH1-OE1 2.79Å; R102-E292 PolarHBondContact NH1-OE1 2.79Å; R189-E292 IonicContact CZ-OE2 3.59Å; R189-E292 IonicContact NH1-OE2 3.72Å; R189-E292 PolarHBondContact NH1-OE2 3.14Å; R189-E292 VanDerWaalsContact NH1-OE2 3.12Å; R189-E292 IonicContact NH2-OE2 2.71Å; R189-E292 PolarHBondContact NH2-OE2 2.84Å; T290-E292 PolarHBondContact OG1-N 3.09Å; T290-E292 VanDerWaalsContact OG1-N 3.1Å; T290-E292 PolarHBondContact OG1-O 3.07Å; E292-N294 WeakPolarHBondContact CB-OD1 3.11Å; E292-N294 PolarHBondContact OE2-ND2 3.11Å
293	L	85.3	Confident	86.3	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.01	10%	0.1	C	C	.	.			trans	-93.3	94.1	162.1	-58.5	-178.4	0	0	0	107.2	V53 I67 L97 Y98 S99 F103 V107 V109 T290	V53-L293 HydrophobicContact CG1-CD1 4.27Å; I67-L293 HydrophobicContact CD1-CD1 3.65Å; I67-L293 HydrophobicContact CG1-CD1 3.95Å; L97-L293 HydrophobicContact CB-CD2 4.35Å; L97-L293 CarbonylContact O-C 3.56Å; L97-L293 VanDerWaalsContact O-C 3.27Å; Y98-L293 CarbonylContact C-O 3.57Å; Y98-L293 VanDerWaalsContact CA-O 3.28Å; Y98-L293 WeakPolarHBondContact CA-O 3.39Å; S99-L293 PolarHBondContact N-O 3.17Å; F103-L293 HydrophobicContact CE2-CD1 3.82Å; F103-L293 HydrophobicContact CE2-CG 4.06Å; F103-L293 HydrophobicContact CZ-CD1 4.43Å; V107-L293 HydrophobicContact CG2-CD1 4.29Å; V107-L293 HydrophobicContact CG2-CD2 4.08Å; V107-L293 HydrophobicContact CG2-CG 4.2Å; V109-L293 HydrophobicContact CG2-CD2 3.78Å; T290-L293 HydrophobicContact CG2-CD2 3.65Å
294	N	86.3	Confident	85.9	Confident	28 Å²	28	24.2 Å²	24.2	15%	0.15	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	35.9	175.7	53.5	6.6	0	0	0	110.6	L97 R189 L190 E292	L97-N294 WeakPolarHBondContact O-CA 3.38Å; L97-N294 PolarHBondContact O-N 2.74Å; R189-N294 PolarHBondContact NH1-ND2 3.25Å; R189-N294 PolarHBondContact NH2-ND2 3.33Å; L190-N294 PolarHBondContact N-O 3.17Å; E292-N294 WeakPolarHBondContact CB-OD1 3.11Å; E292-N294 PolarHBondContact OE2-ND2 3.11Å
295	H	87.4	Confident	85.3	Confident	20 Å²	20	25.4 Å²	25.4	9%	0.093	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.6	-171.8	-61.8	98.8	0	0	0	111.4	L97 H187 C188 R189 Y297	L97-H295 PolarHBondContact N-O 2.91Å; L97-H295 PolarHBondContact O-N 2.9Å; L97-H295 VanDerWaalsContact O-N 3.1Å; H187-H295 AromaticContact CE1-NE2 3.96Å; H187-H295 AromaticContact ND1-CD2 3.35Å; H187-H295 PolarHBondContact ND1-CD2 2.98Å; H187-H295 VanDerWaalsContact ND1-CD2 3.35Å; H187-H295 AromaticContact ND1-CG 3.87Å; H187-H295 AromaticContact ND1-NE2 3.61Å; C188-H295 CarbonylContact O-C 3.54Å; C188-H295 WeakPolarHBondContact O-CA 3.47Å; C188-H295 WeakPolarHBondContact O-CB 3.33Å; R189-H295 VanDerWaalsContact CA-CD2 3.49Å; R189-H295 WeakPolarHBondContact CA-CD2 3.15Å; H295-Y297 HydrophobicContact CB-CD2 4.17Å; H295-Y297 HydrophobicContact CB-CE1 4.41Å; H295-Y297 HydrophobicContact CB-CE2 3.61Å
296	C	86.5	Confident	84.8	Confident	6 Å²	6	26 Å²	26	4%	0.041	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	141.4	154.4	-63.1	0	0	0	0	108.9	V94 H95 H187 C188 L190 W195	V94-C296 HydrophobicContact CG1-CB 4.41Å; H95-C296 CarbonylContact O-C 3.45Å; H95-C296 WeakPolarHBondContact O-CA 3.31Å; H187-C296 CarbonylContact C-O 3.57Å; H187-C296 WeakPolarHBondContact CA-O 3.31Å; C188-C296 PolarHBondContact N-O 2.68Å; C188-C296 PolarHBondContact O-N 2.68Å; L190-C296 VanDerWaalsContact CD2-SG 3.54Å; W195-C296 HydrophobicContact CH2-CB 3.69Å; W195-C296 HydrophobicContact CZ2-CB 4.24Å; W195-C296 HydrophobicContact CZ3-CB 4.42Å
297	Y	89.9	Confident	84.1	Confident	6 Å²	6	32 Å²	32	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146	175.4	-65.8	-86.6	0	0	0	110.6	H95 L97 I111 L185 L186 H187 I288 H295	H95-Y297 PolarHBondContact N-O 3.18Å; H95-Y297 PolarHBondContact O-N 3.07Å; L97-Y297 HydrophobicContact CB-CD2 4.36Å; L97-Y297 HydrophobicContact CB-CE2 4.24Å; L97-Y297 HydrophobicContact CD1-CD2 3.91Å; L97-Y297 HydrophobicContact CD1-CE2 4.05Å; I111-Y297 VanDerWaalsContact CD1-CB 3.42Å; I111-Y297 HydrophobicContact CD1-CD1 4.47Å; I111-Y297 HydrophobicContact CD1-CG 3.96Å; L185-Y297 HydrophobicContact CD1-CD1 4.2Å; L186-Y297 WeakPolarHBondContact O-CA 3.41Å; H187-Y297 HydrophobicContact CB-CD1 3.49Å; H187-Y297 VanDerWaalsContact CB-CD1 3.49Å; H187-Y297 HydrophobicContact CB-CE1 3.54Å; H187-Y297 HydrophobicContact CB-CG 4.34Å; I288-Y297 HydrophobicContact CD1-CD1 3.94Å; I288-Y297 HydrophobicContact CD1-CE1 3.35Å; I288-Y297 HydrophobicContact CD1-CE2 4.4Å; H295-Y297 HydrophobicContact CB-CD2 4.17Å; H295-Y297 HydrophobicContact CB-CE1 4.41Å; H295-Y297 HydrophobicContact CB-CE2 3.61Å
298	V	84.8	Confident	83.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	134.6	170.8	65.1	0	0	0	0	110.4	P82 M90 V94 L186 W195 V300	P82-V298 HydrophobicContact CG-CG1 3.85Å; M90-V298 HydrophobicContact CB-CG2 4.31Å; M90-V298 HydrophobicContact CG-CG2 3.94Å; M90-V298 HydrophobicContact SD-CG2 4.17Å; V94-V298 HydrophobicContact CG2-CB 4.19Å; V94-V298 HydrophobicContact CG2-CG2 4.01Å; L186-V298 HydrophobicContact CB-CG1 4.07Å; L186-V298 PolarHBondContact N-O 3.13Å; L186-V298 PolarHBondContact O-N 3.08Å; W195-V298 HydrophobicContact CE3-CG1 4.28Å; W195-V298 HydrophobicContact CH2-CB 4.49Å; W195-V298 HydrophobicContact CH2-CG1 3.92Å; W195-V298 HydrophobicContact CZ3-CB 4.5Å; W195-V298 HydrophobicContact CZ3-CG1 3.69Å; V298-V300 HydrophobicContact CG1-CG2 4.35Å
299	L	85.9	Confident	82.9	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.6	169	-63.1	174.6	0	0	0	109	M90 A91 S92 I111 F113 V183 L185 V286	M90-L299 CarbonylContact C-O 3.58Å; A91-L299 HydrophobicContact CB-CB 4.06Å; A91-L299 PolarHBondContact N-O 3.26Å; S92-L299 PolarHBondContact N-O 3.25Å; S92-L299 PolarHBondContact OG-N 2.79Å; I111-L299 HydrophobicContact CB-CD1 4.3Å; I111-L299 HydrophobicContact CG2-CD1 3.87Å; I111-L299 HydrophobicContact CG2-CG 4.05Å; F113-L299 HydrophobicContact CD1-CD1 3.69Å; F113-L299 HydrophobicContact CE1-CB 4.44Å; F113-L299 HydrophobicContact CE1-CD1 3.65Å; F113-L299 HydrophobicContact CE1-CG 4.5Å; F113-L299 HydrophobicContact CZ-CD1 4.42Å; V183-L299 HydrophobicContact CG1-CD2 4.16Å; L185-L299 HydrophobicContact CB-CD2 3.88Å; L185-L299 HydrophobicContact CD1-CD2 3.66Å; L185-L299 HydrophobicContact CD1-CG 4.38Å; L185-L299 HydrophobicContact CG-CD2 4.29Å; V286-L299 HydrophobicContact CB-CD1 4.19Å; V286-L299 HydrophobicContact CB-CD2 3.86Å; V286-L299 HydrophobicContact CG1-CD2 4.32Å; V286-L299 HydrophobicContact CG2-CD1 4.02Å; V286-L299 HydrophobicContact CG2-CD2 3.62Å
300	V	80.1	Confident	82.4	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.8	179.4	174.4	0	0	0	0	108.2	L84 M88 R89 V183 S184 L186 V298	L84-V300 HydrophobicContact CD1-CG1 4.31Å; L84-V300 HydrophobicContact CD1-CG2 4.38Å; L84-V300 HydrophobicContact CD2-CG1 3.95Å; L84-V300 HydrophobicContact CD2-CG2 3.91Å; M88-V300 HydrophobicContact CB-CG1 3.91Å; M88-V300 HydrophobicContact CG-CG1 4.44Å; M88-V300 HydrophobicContact SD-CG1 4.36Å; R89-V300 CarbonylContact O-C 3.53Å; R89-V300 VanDerWaalsContact O-CA 3.28Å; R89-V300 WeakPolarHBondContact O-CA 3.27Å; R89-V300 WeakPolarHBondContact O-CG1 3.49Å; V183-V300 CarbonylContact C-O 3.58Å; V183-V300 WeakPolarHBondContact CA-O 3.4Å; S184-V300 PolarHBondContact N-O 2.91Å; S184-V300 PolarHBondContact O-N 2.89Å; L186-V300 HydrophobicContact CD1-CG2 3.68Å; L186-V300 HydrophobicContact CG-CG2 3.9Å; V298-V300 HydrophobicContact CG1-CG2 4.35Å
301	N	76.4	Confident	82	Confident	5 Å²	5	27.1 Å²	27.1	3%	0.027	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.9	173.3	-176.8	17.5	0	0	0	108.4	R89 A91 S182	R89-N301 PolarHBondContact N-O 2.89Å; R89-N301 VanDerWaalsContact N-O 3.16Å; R89-N301 PolarHBondContact NH2-ND2 3.07Å; R89-N301 PolarHBondContact O-N 3.19Å; A91-N301 HydrophobicContact CB-CB 3.71Å; S182-N301 PolarHBondContact OG-OD1 2.84Å
302	S	74.5	Confident	81.6	Confident	19 Å²	19	25.7 Å²	25.7	13%	0.133	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	174	174.8	61.7	0	0	0	0	112	D87 S182	D87-S302 CarbonylContact O-C 3.54Å; D87-S302 WeakPolarHBondContact O-CA 3.48Å; S182-S302 WeakPolarHBondContact CB-O 3.31Å; S182-S302 WeakPolarHBondContact CB-OG 3.36Å; S182-S302 PolarHBondContact O-N 2.83Å; S182-S302 PolarHBondContact O-OG 3.06Å; S182-S302 PolarHBondContact OG-O 2.91Å
303	T	72.2	Confident	81.4	Confident	19 Å²	19	29.3 Å²	29.3	12%	0.117	16%	0.163	C	C	.	.	S	Bend	trans	-63	135.8	168.1	-60.3	0	0	0	0	110	D87 A305 K345 I346	D87-T303 PolarHBondContact O-N 2.99Å; D87-T303 PolarHBondContact O-OG1 3.29Å; T303-A305 PolarHBondContact O-N 2.98Å; T303-K345 WeakPolarHBondContact CG2-O 3.29Å; T303-I346 HydrophobicContact CG2-CG1 3.86Å
304	K	73	Confident	81.3	Confident	58 Å²	58	29.7 Å²	29.7	25%	0.252	17%	0.167	S	C	.	.			trans	-52.4	127.5	-176.4	-63.4	172.9	-178.5	161.6	0	111.2	H123 L322	H123-K304 PolarHBondContact CD2-NZ 3.04Å; H123-K304 VanDerWaalsContact CD2-NZ 3.29Å; H123-K304 PolarHBondContact NE2-NZ 2.85Å; K304-L322 HydrophobicContact CB-CD2 3.5Å; K304-L322 WeakPolarHBondContact O-CD1 3.46Å
305	A	76	Confident	81.3	Confident	25 Å²	25	30.5 Å²	30.5	21%	0.207	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150	-169.7	0	0	0	0	0	112.5	T303 I342 F343 K344	T303-A305 PolarHBondContact O-N 2.98Å; A305-I342 HydrophobicContact CB-CG2 3.85Å; A305-F343 CarbonylContact C-O 3.55Å; A305-F343 VanDerWaalsContact CA-O 3.25Å; A305-F343 WeakPolarHBondContact CA-O 3.48Å; A305-K344 HydrophobicContact CB-CG 3.95Å
306	E	79.8	Confident	81.3	Confident	14 Å²	14	34.6 Å²	34.6	7%	0.065	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.2	169.8	-79.2	173.4	-177.2	0	0	109.2	F317 S319 L321 L322 I342 F343	E306-F317 HydrophobicContact CB-CZ 4.29Å; E306-F317 VanDerWaalsContact OE2-CZ 3.28Å; E306-F317 WeakPolarHBondContact OE2-CZ 3.25Å; E306-S319 PolarHBondContact OE1-OG 3.22Å; E306-S319 VanDerWaalsContact OE1-OG 3.08Å; E306-S319 WeakPolarHBondContact OE2-CA 3.49Å; E306-S319 WeakPolarHBondContact OE2-CB 3.25Å; E306-S319 PolarHBondContact OE2-OG 3.39Å; E306-L321 HydrophobicContact CG-CB 4.41Å; E306-L321 HydrophobicContact CG-CD1 4.21Å; E306-L321 VanDerWaalsContact OE1-CA 3.24Å; E306-L321 WeakPolarHBondContact OE1-CA 3.35Å; E306-L321 WeakPolarHBondContact OE1-CB 3.45Å; E306-L321 WeakPolarHBondContact OE1-CG 3.37Å; E306-L321 PolarHBondContact OE1-N 2.88Å; E306-L322 HydrophobicContact CB-CD1 4.3Å; E306-L322 HydrophobicContact CG-CD1 3.99Å; E306-L322 HydrophobicContact CG-CG 3.92Å; E306-L322 PolarHBondContact OE1-N 3.01Å; E306-L322 VanDerWaalsContact OE1-N 3.08Å; E306-I342 CarbonylContact O-C 3.59Å; E306-I342 WeakPolarHBondContact O-CA 3.28Å; E306-F343 PolarHBondContact N-O 3.23Å; E306-F343 PolarHBondContact O-N 2.68Å
307	Q	78.3	Confident	81.4	Confident	127 Å²	127	35.5 Å²	35.5	59%	0.593	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.9	176.9	-60.8	-173.9	-2.6	0	0	110	T341 I342	Q307-T341 WeakPolarHBondContact CA-O 3.35Å; Q307-I342 HydrophobicContact CG-CG1 4.33Å
308	F	83.7	Confident	81.3	Confident	21 Å²	21	40 Å²	40	9%	0.092	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	156.5	173.9	68.3	-86.8	0	0	0	110.9	I310 F317 I330 T341 F343 F375	F308-I310 HydrophobicContact CD2-CG1 4.38Å; F308-I310 HydrophobicContact CE2-CD1 4.37Å; F308-I310 HydrophobicContact CE2-CG1 3.93Å; F308-F317 HydrophobicContact CB-CD2 3.48Å; F308-F317 VanDerWaalsContact CB-CD2 3.48Å; F308-F317 HydrophobicContact CB-CE2 3.78Å; F308-F317 HydrophobicContact CB-CG 4.21Å; F308-F317 AromaticContact CD1-CD1 3.95Å; F308-F317 HydrophobicContact CD1-CD1 3.95Å; F308-F317 AromaticContact CD1-CD2 3.69Å; F308-F317 HydrophobicContact CD1-CD2 3.69Å; F308-F317 AromaticContact CD1-CE1 3.91Å; F308-F317 HydrophobicContact CD1-CE1 3.91Å; F308-F317 AromaticContact CD1-CE2 3.65Å; F308-F317 HydrophobicContact CD1-CE2 3.65Å; F308-F317 AromaticContact CD1-CG 3.84Å; F308-F317 HydrophobicContact CD1-CG 3.84Å; F308-F317 AromaticContact CD1-CZ 3.75Å; F308-F317 HydrophobicContact CD1-CZ 3.75Å; F308-F317 HydrophobicContact CD2-CB 4.14Å; F308-F317 HydrophobicContact CD2-CD2 4.27Å; F308-F317 HydrophobicContact CD2-CG 4.15Å; F308-F317 AromaticContact CE1-CD1 3.94Å; F308-F317 HydrophobicContact CE1-CD1 3.94Å; F308-F317 HydrophobicContact CE1-CD2 4.48Å; F308-F317 AromaticContact CE1-CE1 3.97Å; F308-F317 HydrophobicContact CE1-CE1 3.97Å; F308-F317 HydrophobicContact CE1-CG 4.2Å; F308-F317 HydrophobicContact CE1-CZ 4.25Å; F308-F317 HydrophobicContact CE2-CB 4.41Å; F308-F317 HydrophobicContact CE2-CG 4.48Å; F308-F317 HydrophobicContact CG-CB 4.27Å; F308-F317 HydrophobicContact CG-CD1 4.37Å; F308-F317 AromaticContact CG-CD2 3.56Å; F308-F317 HydrophobicContact CG-CD2 3.56Å; F308-F317 AromaticContact CG-CE2 3.92Å; F308-F317 HydrophobicContact CG-CE2 3.92Å; F308-F317 AromaticContact CG-CG 3.81Å; F308-F317 HydrophobicContact CG-CG 3.81Å; F308-F317 HydrophobicContact CG-CZ 4.46Å; F308-F317 HydrophobicContact CZ-CD1 4.34Å; F308-F317 HydrophobicContact CZ-CG 4.5Å; F308-I330 HydrophobicContact CE2-CD1 4.13Å; F308-T341 HydrophobicContact CE1-CG2 3.81Å; F308-T341 HydrophobicContact CE2-CG2 4.09Å; F308-T341 HydrophobicContact CZ-CG2 3.48Å; F308-T341 VanDerWaalsContact CZ-CG2 3.48Å; F308-T341 PolarHBondContact N-O 3.23Å; F308-T341 PolarHBondContact O-N 2.82Å; F308-F343 HydrophobicContact CD1-CB 4.46Å; F308-F343 HydrophobicContact CE1-CB 4.12Å; F308-F375 HydrophobicContact CE1-CD1 4.22Å; F308-F375 HydrophobicContact CZ-CD1 4.3Å
309	C	80.9	Confident	81.3	Confident	85 Å²	85	40 Å²	40	57%	0.574	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.5	-178.8	-59.6	0	0	0	0	110.8	E339	C309-E339 CarbonylContact C-O 3.54Å; C309-E339 WeakPolarHBondContact CA-O 3.23Å
310	I	82.9	Confident	80.8	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.9	171.6	-58.5	-177	0	0	0	107.9	F308 I330 C335 F338 E339 T341 L377 L536	F308-I310 HydrophobicContact CD2-CG1 4.38Å; F308-I310 HydrophobicContact CE2-CD1 4.37Å; F308-I310 HydrophobicContact CE2-CG1 3.93Å; I310-I330 HydrophobicContact CB-CD1 4.44Å; I310-I330 HydrophobicContact CD1-CD1 3.86Å; I310-I330 HydrophobicContact CG1-CD1 3.65Å; I310-I330 HydrophobicContact CG2-CD1 4.24Å; I310-I330 HydrophobicContact CG2-CG2 4.19Å; I310-C335 HydrophobicContact CG2-CB 4.22Å; I310-F338 WeakPolarHBondContact O-CA 3.29Å; I310-E339 HydrophobicContact CB-CB 4.37Å; I310-E339 PolarHBondContact N-O 3.12Å; I310-E339 PolarHBondContact O-N 2.75Å; I310-E339 VanDerWaalsContact O-N 3.08Å; I310-T341 WeakPolarHBondContact CD1-OG1 3.46Å; I310-T341 WeakPolarHBondContact CG1-OG1 3.31Å; I310-L377 HydrophobicContact CD1-CD1 4.06Å; I310-L377 HydrophobicContact CD1-CD2 4.17Å; I310-L536 HydrophobicContact CD1-CD1 4.19Å
311	S	81.5	Confident	80.4	Confident	21 Å²	21	48.2 Å²	48.2	15%	0.147	28%	0.28	C	S	.	.			trans	-90.7	154.4	174.8	88.4	0	0	0	0	111.9	N313 G314	S311-N313 PolarHBondContact O-N 3.11Å; S311-N313 VanDerWaalsContact O-N 3.12Å; S311-N313 WeakPolarHBondContact OG-CA 3.2Å; S311-N313 WeakPolarHBondContact OG-CB 3.28Å; S311-N313 PolarHBondContact OG-N 3Å; S311-N313 VanDerWaalsContact OG-N 3.1Å; S311-G314 PolarHBondContact O-N 3.28Å; S311-G314 PolarHBondContact OG-N 3.45Å; S311-G314 PolarHBondContact OG-O 3.25Å
312	P	81.3	Confident	80.5	Confident	36 Å²	36	49 Å²	49	23%	0.234	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.8	167.9	-26.3	36.4	0	0	0	113.8	G314 R333 C335 P336 F338	P312-G314 PolarHBondContact O-N 3.48Å; P312-R333 PolarHBondContact O-N 2.63Å; P312-C335 WeakPolarHBondContact CA-O 3.18Å; P312-P336 WeakPolarHBondContact CG-O 3.37Å; P312-F338 HydrophobicContact CG-CD2 4.43Å
313	N	83.8	Confident	80.9	Confident	119 Å²	119	48.8 Å²	48.8	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	3.6	173.4	-69.5	-39.1	0	0	0	113.6	S311 K332	S311-N313 PolarHBondContact O-N 3.11Å; S311-N313 VanDerWaalsContact O-N 3.12Å; S311-N313 WeakPolarHBondContact OG-CA 3.2Å; S311-N313 WeakPolarHBondContact OG-CB 3.28Å; S311-N313 PolarHBondContact OG-N 3Å; S311-N313 VanDerWaalsContact OG-N 3.1Å; N313-K332 WeakPolarHBondContact O-CG 3.48Å
314	G	83.1	Confident	81.3	Confident	10 Å²	10	52.3 Å²	52.3	10%	0.103	31%	0.305	C	S	.	.			trans	72	-158.2	-173.8	0	0	0	0	0	112	S311 P312 I330 P331	S311-G314 PolarHBondContact O-N 3.28Å; S311-G314 PolarHBondContact OG-N 3.45Å; S311-G314 PolarHBondContact OG-O 3.25Å; P312-G314 PolarHBondContact O-N 3.48Å; G314-I330 CarbonylContact C-O 3.6Å; G314-I330 WeakPolarHBondContact CA-O 3.38Å; G314-P331 WeakPolarHBondContact CA-O 3.27Å
315	G	85.1	Confident	81.9	Confident	44 Å²	44	54.1 Å²	54.1	45%	0.454	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	179.8	175.9	0	0	0	0	0	113.5	I330	G315-I330 PolarHBondContact N-O 3.43Å; G315-I330 PolarHBondContact O-N 2.94Å
316	L	87.6	Confident	82.6	Confident	107 Å²	107	53 Å²	53	56%	0.56	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.6	164	177.1	64.3	0	0	0	107.3	L318 R329	L316-L318 HydrophobicContact CD1-CD2 4.32Å; L316-L318 HydrophobicContact CD2-CD2 4.03Å; L316-L318 HydrophobicContact CD2-CG 4.46Å; L316-L318 HydrophobicContact CG-CD2 4Å; L316-L318 HydrophobicContact CG-CG 4.32Å; L316-R329 HydrophobicContact CD1-CB 3.9Å; L316-R329 HydrophobicContact CD1-CG 4.3Å
317	F	88	Confident	83.1	Confident	24 Å²	24	53.2 Å²	53.2	11%	0.105	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.1	166.8	173.1	-114.5	0	0	0	109	E306 F308 L326 S327 V328 F343 F375	E306-F317 HydrophobicContact CB-CZ 4.29Å; E306-F317 VanDerWaalsContact OE2-CZ 3.28Å; E306-F317 WeakPolarHBondContact OE2-CZ 3.25Å; F308-F317 HydrophobicContact CB-CD2 3.48Å; F308-F317 VanDerWaalsContact CB-CD2 3.48Å; F308-F317 HydrophobicContact CB-CE2 3.78Å; F308-F317 HydrophobicContact CB-CG 4.21Å; F308-F317 AromaticContact CD1-CD1 3.95Å; F308-F317 HydrophobicContact CD1-CD1 3.95Å; F308-F317 AromaticContact CD1-CD2 3.69Å; F308-F317 HydrophobicContact CD1-CD2 3.69Å; F308-F317 AromaticContact CD1-CE1 3.91Å; F308-F317 HydrophobicContact CD1-CE1 3.91Å; F308-F317 AromaticContact CD1-CE2 3.65Å; F308-F317 HydrophobicContact CD1-CE2 3.65Å; F308-F317 AromaticContact CD1-CG 3.84Å; F308-F317 HydrophobicContact CD1-CG 3.84Å; F308-F317 AromaticContact CD1-CZ 3.75Å; F308-F317 HydrophobicContact CD1-CZ 3.75Å; F308-F317 HydrophobicContact CD2-CB 4.14Å; F308-F317 HydrophobicContact CD2-CD2 4.27Å; F308-F317 HydrophobicContact CD2-CG 4.15Å; F308-F317 AromaticContact CE1-CD1 3.94Å; F308-F317 HydrophobicContact CE1-CD1 3.94Å; F308-F317 HydrophobicContact CE1-CD2 4.48Å; F308-F317 AromaticContact CE1-CE1 3.97Å; F308-F317 HydrophobicContact CE1-CE1 3.97Å; F308-F317 HydrophobicContact CE1-CG 4.2Å; F308-F317 HydrophobicContact CE1-CZ 4.25Å; F308-F317 HydrophobicContact CE2-CB 4.41Å; F308-F317 HydrophobicContact CE2-CG 4.48Å; F308-F317 HydrophobicContact CG-CB 4.27Å; F308-F317 HydrophobicContact CG-CD1 4.37Å; F308-F317 AromaticContact CG-CD2 3.56Å; F308-F317 HydrophobicContact CG-CD2 3.56Å; F308-F317 AromaticContact CG-CE2 3.92Å; F308-F317 HydrophobicContact CG-CE2 3.92Å; F308-F317 AromaticContact CG-CG 3.81Å; F308-F317 HydrophobicContact CG-CG 3.81Å; F308-F317 HydrophobicContact CG-CZ 4.46Å; F308-F317 HydrophobicContact CZ-CD1 4.34Å; F308-F317 HydrophobicContact CZ-CG 4.5Å; F317-L326 HydrophobicContact CD1-CD2 4.44Å; F317-L326 HydrophobicContact CE1-CD2 3.98Å; F317-S327 CarbonylContact O-C 3.56Å; F317-S327 VanDerWaalsContact O-CA 3.23Å; F317-S327 WeakPolarHBondContact O-CA 3.42Å; F317-S327 WeakPolarHBondContact O-CB 3.46Å; F317-V328 HydrophobicContact CB-CB 4.32Å; F317-V328 HydrophobicContact CD1-CB 4.3Å; F317-V328 HydrophobicContact CD1-CG2 4.27Å; F317-V328 PolarHBondContact N-O 3.38Å; F317-V328 PolarHBondContact O-N 2.94Å; F317-F343 HydrophobicContact CE1-CB 3.91Å; F317-F343 AromaticContact CE1-CD1 3.95Å; F317-F343 HydrophobicContact CE1-CD1 3.95Å; F317-F343 HydrophobicContact CE1-CG 4.02Å; F317-F343 HydrophobicContact CZ-CB 3.95Å; F317-F343 AromaticContact CZ-CD1 3.99Å; F317-F343 HydrophobicContact CZ-CD1 3.99Å; F317-F343 HydrophobicContact CZ-CG 4.27Å; F317-F375 HydrophobicContact CE1-CE1 4.41Å
318	L	87.5	Confident	83.7	Confident	101 Å²	101	47.2 Å²	47.2	53%	0.529	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.1	170.8	-58.2	178.6	0	0	0	106.5	L316 P320 S327	L316-L318 HydrophobicContact CD1-CD2 4.32Å; L316-L318 HydrophobicContact CD2-CD2 4.03Å; L316-L318 HydrophobicContact CD2-CG 4.46Å; L316-L318 HydrophobicContact CG-CD2 4Å; L316-L318 HydrophobicContact CG-CG 4.32Å; L318-P320 VanDerWaalsContact C-CD 3.46Å; L318-P320 WeakPolarHBondContact O-CD 3.43Å; L318-S327 VanDerWaalsContact CD2-CB 3.49Å
319	S	85.6	Confident	84.1	Confident	1 Å²	1	54 Å²	54	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	79.3	-179.5	-174.4	0	0	0	0	113.3	E306 L321 D323 L326 F343	E306-S319 PolarHBondContact OE1-OG 3.22Å; E306-S319 VanDerWaalsContact OE1-OG 3.08Å; E306-S319 WeakPolarHBondContact OE2-CA 3.49Å; E306-S319 WeakPolarHBondContact OE2-CB 3.25Å; E306-S319 PolarHBondContact OE2-OG 3.39Å; S319-L321 PolarHBondContact O-N 3.23Å; S319-D323 WeakPolarHBondContact CB-O 3.48Å; S319-D323 CarbonylContact O-C 3.56Å; S319-D323 PolarHBondContact O-N 3.29Å; S319-D323 PolarHBondContact OG-N 2.95Å; S319-L326 PolarHBondContact N-O 3.41Å; S319-F343 VanDerWaalsContact OG-CE1 3.27Å; S319-F343 WeakPolarHBondContact OG-CE1 3.36Å
320	P	75.4	Confident	84.4	Confident	99 Å²	99	50.5 Å²	50.5	64%	0.643	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-9	-173.3	29.3	-35.7	0	0	0	114.9	L318	L318-P320 VanDerWaalsContact C-CD 3.46Å; L318-P320 WeakPolarHBondContact O-CD 3.43Å
321	L	71.5	Confident	84.6	Confident	75 Å²	75	52.5 Å²	52.5	39%	0.393	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-27	-174.7	-41.9	169.3	0	0	0	113.2	R181 E306 S319	R181-L321 VanDerWaalsContact CZ-CD1 3.49Å; E306-L321 HydrophobicContact CG-CB 4.41Å; E306-L321 HydrophobicContact CG-CD1 4.21Å; E306-L321 VanDerWaalsContact OE1-CA 3.24Å; E306-L321 WeakPolarHBondContact OE1-CA 3.35Å; E306-L321 WeakPolarHBondContact OE1-CB 3.45Å; E306-L321 WeakPolarHBondContact OE1-CG 3.37Å; E306-L321 PolarHBondContact OE1-N 2.88Å; S319-L321 PolarHBondContact O-N 3.23Å
322	L	79.7	Confident	84.8	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.11	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-43.1	-180	-53.8	-178.7	0	0	0	113.2	K304 E306 F343 K345	K304-L322 HydrophobicContact CB-CD2 3.5Å; K304-L322 WeakPolarHBondContact O-CD1 3.46Å; E306-L322 HydrophobicContact CB-CD1 4.3Å; E306-L322 HydrophobicContact CG-CD1 3.99Å; E306-L322 HydrophobicContact CG-CG 3.92Å; E306-L322 PolarHBondContact OE1-N 3.01Å; E306-L322 VanDerWaalsContact OE1-N 3.08Å; L322-F343 HydrophobicContact CB-CE1 3.9Å; L322-F343 HydrophobicContact CD1-CD1 3.8Å; L322-F343 HydrophobicContact CD1-CE1 3.79Å; L322-F343 HydrophobicContact CG-CE1 4.42Å; L322-K345 HydrophobicContact CB-CB 4.25Å; L322-K345 HydrophobicContact CB-CD 4.29Å; L322-K345 HydrophobicContact CD1-CB 4.38Å; L322-K345 VanDerWaalsContact O-CD 3.3Å; L322-K345 WeakPolarHBondContact O-CD 3.47Å; L322-K345 PolarHBondContact O-NZ 3.32Å
323	D	81.7	Confident	84.7	Confident	15 Å²	15	65.9 Å²	65.9	8%	0.08	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	106.8	173.5	-154.8	-61.5	0	0	0	113.1	S319 F325 L326 K345	S319-D323 WeakPolarHBondContact CB-O 3.48Å; S319-D323 CarbonylContact O-C 3.56Å; S319-D323 PolarHBondContact O-N 3.29Å; S319-D323 PolarHBondContact OG-N 2.95Å; D323-F325 PolarHBondContact O-N 2.89Å; D323-F325 PolarHBondContact OD1-N 3.29Å; D323-L326 HydrophobicContact CB-CB 4Å; D323-L326 WeakPolarHBondContact O-CB 3.15Å; D323-L326 PolarHBondContact O-N 3.1Å; D323-K345 HydrophobicContact CB-CD 4.22Å; D323-K345 IonicContact OD2-NZ 3.12Å; D323-K345 PolarHBondContact OD2-NZ 3.18Å
324	P	82	Confident	84.3	Confident	94 Å²	94	60.2 Å²	60.2	61%	0.61	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	-10.4	-172.8	29.4	-36.5	0	0	0	114.2
325	F	84.6	Confident	83.7	Confident	95 Å²	95	60.1 Å²	60.1	42%	0.417	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-8.6	173.9	-57.7	-70.4	0	0	0	112.9	D323 P391 T528	D323-F325 PolarHBondContact O-N 2.89Å; D323-F325 PolarHBondContact OD1-N 3.29Å; F325-P391 HydrophobicContact CB-CB 4.23Å; F325-T528 HydrophobicContact CB-CG2 3.88Å; F325-T528 WeakPolarHBondContact O-CG2 3.47Å
326	L	90.8	Very high	82.9	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131	177.6	-175.1	139.7	0	0	0	111.6	F317 S319 D323 F343 F373 F375 H389 L390	F317-L326 HydrophobicContact CD1-CD2 4.44Å; F317-L326 HydrophobicContact CE1-CD2 3.98Å; S319-L326 PolarHBondContact N-O 3.41Å; D323-L326 HydrophobicContact CB-CB 4Å; D323-L326 WeakPolarHBondContact O-CB 3.15Å; D323-L326 PolarHBondContact O-N 3.1Å; L326-F343 HydrophobicContact CD1-CE1 4.19Å; L326-F343 HydrophobicContact CD1-CE2 3.79Å; L326-F343 HydrophobicContact CD1-CZ 3.48Å; L326-F343 VanDerWaalsContact CD1-CZ 3.48Å; L326-F343 HydrophobicContact CD2-CD1 4.19Å; L326-F343 HydrophobicContact CD2-CE1 3.84Å; L326-F343 HydrophobicContact CD2-CE2 4.26Å; L326-F343 HydrophobicContact CD2-CZ 3.92Å; L326-F343 HydrophobicContact CG-CZ 4.28Å; L326-F373 HydrophobicContact CD1-CB 4.34Å; L326-F373 HydrophobicContact CD1-CD1 3.52Å; L326-F373 HydrophobicContact CD1-CE1 4.1Å; L326-F373 HydrophobicContact CD1-CG 4.06Å; L326-F375 HydrophobicContact CD1-CZ 4.18Å; L326-F375 HydrophobicContact CD2-CE1 4.24Å; L326-F375 HydrophobicContact CD2-CZ 4.07Å; L326-H389 WeakPolarHBondContact CA-O 3.36Å; L326-L390 HydrophobicContact CD1-CD2 3.65Å; L326-L390 HydrophobicContact CG-CD2 4.41Å
327	S	90.8	Very high	82.3	Confident	20 Å²	20	60.9 Å²	60.9	14%	0.14	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.9	174.1	58.8	0	0	0	0	112.7	F317 L318 H389	F317-S327 CarbonylContact O-C 3.56Å; F317-S327 VanDerWaalsContact O-CA 3.23Å; F317-S327 WeakPolarHBondContact O-CA 3.42Å; F317-S327 WeakPolarHBondContact O-CB 3.46Å; L318-S327 VanDerWaalsContact CD2-CB 3.49Å; S327-H389 PolarHBondContact N-O 3.44Å; S327-H389 VanDerWaalsContact N-O 3.09Å; S327-H389 PolarHBondContact O-N 3.01Å; S327-H389 WeakPolarHBondContact OG-CB 3.46Å; S327-H389 PolarHBondContact OG-CD2 3.42Å; S327-H389 VanDerWaalsContact OG-CD2 3.25Å
328	V	91	Very high	81.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	113.3	178.1	-178.5	0	0	0	0	109.3	F317 I330 F375 A386 T387 I388	F317-V328 HydrophobicContact CB-CB 4.32Å; F317-V328 HydrophobicContact CD1-CB 4.3Å; F317-V328 HydrophobicContact CD1-CG2 4.27Å; F317-V328 PolarHBondContact N-O 3.38Å; F317-V328 PolarHBondContact O-N 2.94Å; V328-I330 HydrophobicContact CG1-CD1 4.42Å; V328-I330 HydrophobicContact CG1-CG1 4.01Å; V328-F375 HydrophobicContact CG2-CD1 4.39Å; V328-F375 HydrophobicContact CG2-CE1 3.54Å; V328-F375 HydrophobicContact CG2-CZ 3.66Å; V328-A386 HydrophobicContact CG1-CB 4.29Å; V328-T387 WeakPolarHBondContact CA-O 3.27Å; V328-I388 HydrophobicContact CG1-CG1 4.21Å; V328-I388 HydrophobicContact CG2-CG1 4.22Å; V328-I388 HydrophobicContact CG2-CG2 4.3Å
329	R	90.5	Very high	81.5	Confident	165 Å²	165	64.7 Å²	64.7	62%	0.623	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.4	179.1	-168.8	-176	-174.9	-170.4	3.6	110.1	L316 A386 T387	L316-R329 HydrophobicContact CD1-CB 3.9Å; L316-R329 HydrophobicContact CD1-CG 4.3Å; R329-A386 CarbonylContact O-C 3.58Å; R329-A386 VanDerWaalsContact O-CA 3.31Å; R329-A386 WeakPolarHBondContact O-CA 3.43Å; R329-A386 WeakPolarHBondContact O-CB 3.09Å; R329-T387 PolarHBondContact N-O 3.42Å; R329-T387 PolarHBondContact O-N 3.38Å
330	I	89.1	Confident	81.3	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.051	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.1	-175.5	-55.8	-179	0	0	0	109.3	F308 I310 G314 G315 V328 V334 A386	F308-I330 HydrophobicContact CE2-CD1 4.13Å; I310-I330 HydrophobicContact CB-CD1 4.44Å; I310-I330 HydrophobicContact CD1-CD1 3.86Å; I310-I330 HydrophobicContact CG1-CD1 3.65Å; I310-I330 HydrophobicContact CG2-CD1 4.24Å; I310-I330 HydrophobicContact CG2-CG2 4.19Å; G314-I330 CarbonylContact C-O 3.6Å; G314-I330 WeakPolarHBondContact CA-O 3.38Å; G315-I330 PolarHBondContact N-O 3.43Å; G315-I330 PolarHBondContact O-N 2.94Å; V328-I330 HydrophobicContact CG1-CD1 4.42Å; V328-I330 HydrophobicContact CG1-CG1 4.01Å; I330-V334 HydrophobicContact CG2-CB 3.79Å; I330-V334 HydrophobicContact CG2-CG1 3.83Å; I330-V334 HydrophobicContact CG2-CG2 3.78Å; I330-A386 HydrophobicContact CG1-CB 4.23Å
331	P	86.3	Confident	81.6	Confident	45 Å²	45	65.9 Å²	65.9	29%	0.292	32%	0.318	S	S	.	.			trans	-60.5	161.2	177.3	-26.6	33.9	0	0	0	115	G314 V334 R384 P385	G314-P331 WeakPolarHBondContact CA-O 3.27Å; P331-V334 HydrophobicContact CB-CG2 3.96Å; P331-V334 HydrophobicContact CG-CG2 4.29Å; P331-V334 WeakPolarHBondContact O-CG2 3.35Å; P331-R384 HydrophobicContact CB-CB 4.32Å; P331-R384 HydrophobicContact CG-CB 4.38Å; P331-P385 WeakPolarHBondContact CD-O 3.23Å; P331-P385 VanDerWaalsContact CG-O 3.25Å; P331-P385 WeakPolarHBondContact CG-O 3.25Å
332	K	85.7	Confident	82.1	Confident	142 Å²	142	64.5 Å²	64.5	62%	0.617	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	141.3	168.2	-79.8	175.8	179.2	-173	0	111.1	N313 R384	N313-K332 WeakPolarHBondContact O-CG 3.48Å; K332-R384 WeakPolarHBondContact O-CD 3.34Å; K332-R384 PolarHBondContact O-NH1 3.07Å
333	R	78.1	Confident	82.5	Confident	195 Å²	195	63.5 Å²	63.5	74%	0.736	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	36.9	179.4	-50.7	179.4	-176.1	165.7	0.4	114.3	P312	P312-R333 PolarHBondContact O-N 2.63Å
334	V	75.8	Confident	82.6	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	31%	0.305	C	S	.	.	S	Bend	trans	-76.8	-62.5	174	161.1	0	0	0	0	111.3	I330 P331 L382 K383 R384	I330-V334 HydrophobicContact CG2-CB 3.79Å; I330-V334 HydrophobicContact CG2-CG1 3.83Å; I330-V334 HydrophobicContact CG2-CG2 3.78Å; P331-V334 HydrophobicContact CB-CG2 3.96Å; P331-V334 HydrophobicContact CG-CG2 4.29Å; P331-V334 WeakPolarHBondContact O-CG2 3.35Å; V334-L382 HydrophobicContact CG1-CB 3.69Å; V334-L382 HydrophobicContact CG1-CD1 4.3Å; V334-L382 HydrophobicContact CG1-CD2 3.63Å; V334-L382 HydrophobicContact CG1-CG 4.05Å; V334-K383 WeakPolarHBondContact O-CB 3.42Å; V334-K383 WeakPolarHBondContact O-CG 3.33Å; V334-R384 HydrophobicContact CG2-CB 3.89Å
335	C	71	Confident	82.7	Confident	7 Å²	7	61.4 Å²	61.4	5%	0.047	29%	0.286	C	S	.	.			trans	-97.4	148.3	169.3	-64.8	0	0	0	0	110.1	I310 P312 T337 E339	I310-C335 HydrophobicContact CG2-CB 4.22Å; P312-C335 WeakPolarHBondContact CA-O 3.18Å; C335-T337 WeakPolarHBondContact CB-O 3.25Å; C335-E339 HydrophobicContact CB-CG 4.32Å
336	P	69	Low	82.4	Confident	97 Å²	97	57.1 Å²	57.1	63%	0.63	27%	0.268	S	S	*	.	S	Bend	trans	-77.5	-28.1	171.5	32.5	-33.1	0	0	0	112.2	P312	P312-P336 WeakPolarHBondContact CG-O 3.37Å
337	T	74.4	Confident	81.8	Confident	71 Å²	71	61.1 Å²	61.1	44%	0.436	29%	0.287	S	S	.	.	S	Bend	trans	-105.7	168.3	-177.1	34.2	0	0	0	0	111.1	C335 E339	C335-T337 WeakPolarHBondContact CB-O 3.25Å; T337-E339 WeakPolarHBondContact CB-OE1 3.37Å; T337-E339 PolarHBondContact OG1-OE1 3.17Å
338	F	79	Confident	81	Confident	148 Å²	148	60.8 Å²	60.8	65%	0.649	28%	0.283	S	S	*	.			trans	-83.3	117.6	163.8	-87.6	-95.4	0	0	0	108.8	I310 P312	I310-F338 WeakPolarHBondContact O-CA 3.29Å; P312-F338 HydrophobicContact CG-CD2 4.43Å
339	E	80.6	Confident	79.8	Confident	57 Å²	57	64.5 Å²	64.5	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.7	176.2	-59.3	-54	145.8	0	0	110.6	C309 I310 C335 T337 L377	C309-E339 CarbonylContact C-O 3.54Å; C309-E339 WeakPolarHBondContact CA-O 3.23Å; I310-E339 HydrophobicContact CB-CB 4.37Å; I310-E339 PolarHBondContact N-O 3.12Å; I310-E339 PolarHBondContact O-N 2.75Å; I310-E339 VanDerWaalsContact O-N 3.08Å; C335-E339 HydrophobicContact CB-CG 4.32Å; T337-E339 WeakPolarHBondContact CB-OE1 3.37Å; T337-E339 PolarHBondContact OG1-OE1 3.17Å; E339-L377 HydrophobicContact CB-CD1 3.91Å; E339-L377 HydrophobicContact CG-CD1 4.47Å
340	Q	80.9	Confident	78.6	Confident	124 Å²	124	59.7 Å²	59.7	58%	0.579	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	128	174	-170.3	170.8	-1.9	0	0	109.5
341	T	81.8	Confident	77.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.3	-171.6	-45.3	0	0	0	0	109.7	Q307 F308 I310 Q376 L377	Q307-T341 WeakPolarHBondContact CA-O 3.35Å; F308-T341 HydrophobicContact CE1-CG2 3.81Å; F308-T341 HydrophobicContact CE2-CG2 4.09Å; F308-T341 HydrophobicContact CZ-CG2 3.48Å; F308-T341 VanDerWaalsContact CZ-CG2 3.48Å; F308-T341 PolarHBondContact N-O 3.23Å; F308-T341 PolarHBondContact O-N 2.82Å; I310-T341 WeakPolarHBondContact CD1-OG1 3.46Å; I310-T341 WeakPolarHBondContact CG1-OG1 3.31Å; T341-Q376 VanDerWaalsContact CG2-O 3.3Å; T341-Q376 WeakPolarHBondContact CG2-O 3.24Å; T341-L377 HydrophobicContact CG2-CB 4.16Å; T341-L377 HydrophobicContact CG2-CD1 4.47Å
342	I	82.5	Confident	76.2	Confident	46 Å²	46	62.1 Å²	62.1	24%	0.236	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.5	177.6	-47.2	-176.5	0	0	0	109.2	A305 E306 Q307 K344 Q376	A305-I342 HydrophobicContact CB-CG2 3.85Å; E306-I342 CarbonylContact O-C 3.59Å; E306-I342 WeakPolarHBondContact O-CA 3.28Å; Q307-I342 HydrophobicContact CG-CG1 4.33Å; I342-K344 HydrophobicContact CG2-CG 4.28Å; I342-Q376 HydrophobicContact CB-CB 4.11Å; I342-Q376 HydrophobicContact CB-CG 4.32Å; I342-Q376 PolarHBondContact N-O 3.36Å; I342-Q376 PolarHBondContact O-N 3.41Å
343	F	86.3	Confident	75.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.6	167	172.6	-124.2	0	0	0	110	A305 E306 F308 F317 S319 L322 L326 K345 F373 E374 F375	A305-F343 CarbonylContact C-O 3.55Å; A305-F343 VanDerWaalsContact CA-O 3.25Å; A305-F343 WeakPolarHBondContact CA-O 3.48Å; E306-F343 PolarHBondContact N-O 3.23Å; E306-F343 PolarHBondContact O-N 2.68Å; F308-F343 HydrophobicContact CD1-CB 4.46Å; F308-F343 HydrophobicContact CE1-CB 4.12Å; F317-F343 HydrophobicContact CE1-CB 3.91Å; F317-F343 AromaticContact CE1-CD1 3.95Å; F317-F343 HydrophobicContact CE1-CD1 3.95Å; F317-F343 HydrophobicContact CE1-CG 4.02Å; F317-F343 HydrophobicContact CZ-CB 3.95Å; F317-F343 AromaticContact CZ-CD1 3.99Å; F317-F343 HydrophobicContact CZ-CD1 3.99Å; F317-F343 HydrophobicContact CZ-CG 4.27Å; S319-F343 VanDerWaalsContact OG-CE1 3.27Å; S319-F343 WeakPolarHBondContact OG-CE1 3.36Å; L322-F343 HydrophobicContact CB-CE1 3.9Å; L322-F343 HydrophobicContact CD1-CD1 3.8Å; L322-F343 HydrophobicContact CD1-CE1 3.79Å; L322-F343 HydrophobicContact CG-CE1 4.42Å; L326-F343 HydrophobicContact CD1-CE1 4.19Å; L326-F343 HydrophobicContact CD1-CE2 3.79Å; L326-F343 HydrophobicContact CD1-CZ 3.48Å; L326-F343 VanDerWaalsContact CD1-CZ 3.48Å; L326-F343 HydrophobicContact CD2-CD1 4.19Å; L326-F343 HydrophobicContact CD2-CE1 3.84Å; L326-F343 HydrophobicContact CD2-CE2 4.26Å; L326-F343 HydrophobicContact CD2-CZ 3.92Å; L326-F343 HydrophobicContact CG-CZ 4.28Å; F343-K345 HydrophobicContact CZ-CB 4.16Å; F343-F373 HydrophobicContact CE2-CB 4.09Å; F343-F373 HydrophobicContact CE2-CD1 4.16Å; F343-F373 AromaticContact CZ-CD1 3.98Å; F343-F373 HydrophobicContact CZ-CD1 3.98Å; F343-E374 CarbonylContact C-O 3.48Å; F343-E374 WeakPolarHBondContact CA-O 3.31Å; F343-E374 WeakPolarHBondContact CD2-O 3.4Å; F343-F375 HydrophobicContact CB-CD1 4.16Å; F343-F375 HydrophobicContact CB-CE1 4.21Å; F343-F375 AromaticContact CD2-CD1 3.75Å; F343-F375 HydrophobicContact CD2-CD1 3.75Å; F343-F375 AromaticContact CD2-CE1 3.4Å; F343-F375 HydrophobicContact CD2-CE1 3.4Å; F343-F375 HydrophobicContact CD2-CE2 4.34Å; F343-F375 HydrophobicContact CD2-CG 4.36Å; F343-F375 AromaticContact CD2-CZ 3.74Å; F343-F375 HydrophobicContact CD2-CZ 3.74Å; F343-F375 HydrophobicContact CE2-CE1 4.06Å; F343-F375 HydrophobicContact CE2-CE2 4.43Å; F343-F375 AromaticContact CE2-CZ 3.93Å; F343-F375 HydrophobicContact CE2-CZ 3.93Å; F343-F375 HydrophobicContact CG-CD1 4.28Å; F343-F375 AromaticContact CG-CE1 3.93Å; F343-F375 HydrophobicContact CG-CE1 3.93Å
344	K	84	Confident	74.5	Confident	14 Å²	14	51.5 Å²	51.5	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.4	174.6	-67.7	178	-179.6	174.3	0	110.3	D87 A305 I342 E374	D87-K344 IonicContact OD2-NZ 2.67Å; D87-K344 PolarHBondContact OD2-NZ 3.04Å; A305-K344 HydrophobicContact CB-CG 3.95Å; I342-K344 HydrophobicContact CG2-CG 4.28Å; K344-E374 HydrophobicContact CB-CB 4.15Å; K344-E374 HydrophobicContact CB-CG 4.34Å; K344-E374 PolarHBondContact N-O 2.84Å; K344-E374 PolarHBondContact O-N 3.1Å
345	K	84.7	Confident	73.5	Confident	51 Å²	51	54.1 Å²	54.1	22%	0.222	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.1	174.1	177.7	175.2	167.2	177.5	0	109.3	T303 L322 D323 F343 N371 F373	T303-K345 WeakPolarHBondContact CG2-O 3.29Å; L322-K345 HydrophobicContact CB-CB 4.25Å; L322-K345 HydrophobicContact CB-CD 4.29Å; L322-K345 HydrophobicContact CD1-CB 4.38Å; L322-K345 VanDerWaalsContact O-CD 3.3Å; L322-K345 WeakPolarHBondContact O-CD 3.47Å; L322-K345 PolarHBondContact O-NZ 3.32Å; D323-K345 HydrophobicContact CB-CD 4.22Å; D323-K345 IonicContact OD2-NZ 3.12Å; D323-K345 PolarHBondContact OD2-NZ 3.18Å; F343-K345 HydrophobicContact CZ-CB 4.16Å; K345-N371 WeakPolarHBondContact CE-ND2 3.33Å; K345-N371 HydrophobicContact CG-CB 4.18Å; K345-F373 HydrophobicContact CD-CE1 4.29Å; K345-F373 HydrophobicContact CG-CE1 4.28Å
346	I	79.2	Confident	72.9	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.9	178.8	-59.8	151.1	0	0	0	108	T303 N371 I372 E374 A566 Y567	T303-I346 HydrophobicContact CG2-CG1 3.86Å; I346-N371 CarbonylContact O-C 3.53Å; I346-N371 WeakPolarHBondContact O-CA 3.32Å; I346-N371 WeakPolarHBondContact O-CB 3.46Å; I346-I372 HydrophobicContact CB-CB 4.23Å; I346-I372 HydrophobicContact CD1-CB 4.36Å; I346-I372 HydrophobicContact CD1-CG2 4.5Å; I346-I372 PolarHBondContact N-O 2.89Å; I346-I372 PolarHBondContact O-N 2.78Å; I346-E374 WeakPolarHBondContact CD1-OE2 3.21Å; I346-A566 HydrophobicContact CG2-CB 4.37Å; I346-Y567 WeakPolarHBondContact CD1-OH 3.37Å
347	E	76.8	Confident	72.5	Confident	85 Å²	85	50 Å²	50	40%	0.397	25%	0.251	S	S	.	.			trans	-75	127.8	-176.8	-167.8	176.2	126.6	0	0	111.1	R349 N371	E347-R349 HydrophobicContact CG-CG 4.43Å; E347-R349 IonicContact OE1-CZ 2.9Å; E347-R349 VanDerWaalsContact OE1-CZ 3.31Å; E347-R349 IonicContact OE1-NE 2.66Å; E347-R349 PolarHBondContact OE1-NE 2.94Å; E347-R349 IonicContact OE1-NH2 2.69Å; E347-R349 PolarHBondContact OE1-NH2 3.46Å; E347-N371 WeakPolarHBondContact CA-OD1 3.49Å
348	I	75	Confident	71.4	Confident	13 Å²	13	51 Å²	51	7%	0.067	25%	0.251	C	S	.	.			trans	-112.4	120.1	168.4	-67.3	175.3	0	0	0	107.4	L353 C369 N371 I372 M559 I562 A566	I348-L353 HydrophobicContact CG2-CD1 4.18Å; I348-C369 HydrophobicContact CG2-CB 4.18Å; I348-N371 PolarHBondContact N-OD1 2.8Å; I348-I372 HydrophobicContact CD1-CD1 3.94Å; I348-I372 HydrophobicContact CD1-CG1 3.67Å; I348-I372 HydrophobicContact CG1-CG1 4.48Å; I348-M559 HydrophobicContact CD1-CE 3.84Å; I348-I562 HydrophobicContact CD1-CG2 3.99Å; I348-I562 HydrophobicContact CG2-CG2 3.93Å; I348-A566 HydrophobicContact CG1-CB 4.37Å
349	R	66.1	Low	70	Confident	78 Å²	78	47.1 Å²	47.1	29%	0.294	23%	0.234	S	C	.	.			trans	-90	131.3	177.9	-64.2	-165.7	167.8	176.1	5.5	111.7	W227 E347 T351 W352 L353	W227-R349 HydrophobicContact CZ3-CG 4.32Å; E347-R349 HydrophobicContact CG-CG 4.43Å; E347-R349 IonicContact OE1-CZ 2.9Å; E347-R349 VanDerWaalsContact OE1-CZ 3.31Å; E347-R349 IonicContact OE1-NE 2.66Å; E347-R349 PolarHBondContact OE1-NE 2.94Å; E347-R349 IonicContact OE1-NH2 2.69Å; E347-R349 PolarHBondContact OE1-NH2 3.46Å; R349-T351 WeakPolarHBondContact CB-OG1 3.48Å; R349-T351 PolarHBondContact O-N 3.1Å; R349-T351 VanDerWaalsContact O-N 3.15Å; R349-W352 HydrophobicContact CB-CD2 3.93Å; R349-W352 HydrophobicContact CB-CE3 4.04Å; R349-W352 HydrophobicContact CB-CG 4.24Å; R349-W352 HydrophobicContact CG-CD2 4.49Å; R349-W352 HydrophobicContact CG-CE3 4.43Å; R349-W352 HydrophobicContact CG-CZ3 4.48Å; R349-W352 WeakPolarHBondContact O-CB 3.48Å; R349-W352 PolarHBondContact O-N 3.06Å; R349-L353 PolarHBondContact O-N 2.85Å
350	N	65.3	Low	68.9	Low	63 Å²	63	45.1 Å²	45.1	34%	0.337	23%	0.225	S	C	.	.	H	α-helix	trans	-56.7	-27.4	171.8	-75.5	3.3	0	0	0	112.7	W352 L353 N354	N350-W352 VanDerWaalsContact C-N 3.32Å; N350-W352 PolarHBondContact O-N 3.04Å; N350-L353 PolarHBondContact O-N 2.85Å; N350-N354 VanDerWaalsContact O-CG 3.25Å; N350-N354 PolarHBondContact O-N 3.35Å; N350-N354 PolarHBondContact O-OD1 3.37Å
351	T	61.3	Low	68.2	Low	71 Å²	71	40.8 Å²	40.8	44%	0.436	21%	0.208	S	C	.	.	H	α-helix	trans	-60.3	-40	173.2	51.6	0	0	0	0	112.3	R349 N354 S355	R349-T351 WeakPolarHBondContact CB-OG1 3.48Å; R349-T351 PolarHBondContact O-N 3.1Å; R349-T351 VanDerWaalsContact O-N 3.15Å; T351-N354 PolarHBondContact O-N 2.92Å; T351-S355 PolarHBondContact O-N 2.88Å; T351-S355 PolarHBondContact O-OG 2.95Å
352	W	62.3	Low	67.6	Low	36 Å²	36	43.3 Å²	43.3	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-69.9	-36.9	178.3	-60.4	-29.9	0	0	0	112.2	W227 R349 N350 S355 A356 A566 L632	W227-W352 HydrophobicContact CE3-CZ2 4.2Å; W227-W352 AromaticContact CH2-CH2 3.97Å; W227-W352 HydrophobicContact CH2-CH2 3.97Å; W227-W352 HydrophobicContact CH2-CZ2 4.34Å; W227-W352 AromaticContact CZ3-CH2 3.54Å; W227-W352 HydrophobicContact CZ3-CH2 3.54Å; W227-W352 AromaticContact CZ3-CZ2 3.46Å; W227-W352 HydrophobicContact CZ3-CZ2 3.46Å; W227-W352 VanDerWaalsContact CZ3-CZ2 3.46Å; R349-W352 HydrophobicContact CB-CD2 3.93Å; R349-W352 HydrophobicContact CB-CE3 4.04Å; R349-W352 HydrophobicContact CB-CG 4.24Å; R349-W352 HydrophobicContact CG-CD2 4.49Å; R349-W352 HydrophobicContact CG-CE3 4.43Å; R349-W352 HydrophobicContact CG-CZ3 4.48Å; R349-W352 WeakPolarHBondContact O-CB 3.48Å; R349-W352 PolarHBondContact O-N 3.06Å; N350-W352 VanDerWaalsContact C-N 3.32Å; N350-W352 PolarHBondContact O-N 3.04Å; W352-S355 PolarHBondContact O-N 2.88Å; W352-A356 VanDerWaalsContact O-CB 3.28Å; W352-A356 WeakPolarHBondContact O-CB 3.4Å; W352-A356 PolarHBondContact O-N 3.18Å; W352-A566 HydrophobicContact CZ3-CB 4.05Å; W352-L632 HydrophobicContact CG-CD1 4.16Å
353	L	64.4	Low	67.1	Low	8 Å²	8	41.7 Å²	41.7	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-46.5	171.4	-86.1	156	0	0	0	111.6	I348 R349 N350 S355 A356 C357 F363 I366 C369 I562	I348-L353 HydrophobicContact CG2-CD1 4.18Å; R349-L353 PolarHBondContact O-N 2.85Å; N350-L353 PolarHBondContact O-N 2.85Å; L353-S355 VanDerWaalsContact C-N 3.33Å; L353-S355 PolarHBondContact O-N 3.39Å; L353-A356 WeakPolarHBondContact O-CB 3.13Å; L353-A356 PolarHBondContact O-N 3.43Å; L353-A356 VanDerWaalsContact O-N 3.15Å; L353-C357 PolarHBondContact O-N 3.24Å; L353-C357 PolarHBondContact O-SG 3.15Å; L353-C357 VanDerWaalsContact O-SG 3.39Å; L353-F363 HydrophobicContact CD2-CD1 4.5Å; L353-I366 HydrophobicContact CD2-CG2 4.21Å; L353-C369 HydrophobicContact CD1-CB 3.7Å; L353-I562 HydrophobicContact CD2-CD1 3.82Å; L353-I562 HydrophobicContact CD2-CG1 3.84Å; L353-I562 HydrophobicContact CD2-CG2 4.35Å; L353-I562 HydrophobicContact CG-CG2 4.49Å
354	N	63.6	Low	66.4	Low	106 Å²	106	45 Å²	45	57%	0.567	23%	0.229	S	C	*	.	H	α-helix	trans	-64.2	-36.8	177.7	-66.6	-3	0	0	0	112.4	N350 T351	N350-N354 VanDerWaalsContact O-CG 3.25Å; N350-N354 PolarHBondContact O-N 3.35Å; N350-N354 PolarHBondContact O-OD1 3.37Å; T351-N354 PolarHBondContact O-N 2.92Å
355	S	54.7	Low	66	Low	55 Å²	55	47.1 Å²	47.1	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-67.6	-40.6	170.9	-64.5	0	0	0	0	111.9	T351 W352 L353 C357 Q358 F359	T351-S355 PolarHBondContact O-N 2.88Å; T351-S355 PolarHBondContact O-OG 2.95Å; W352-S355 PolarHBondContact O-N 2.88Å; L353-S355 VanDerWaalsContact C-N 3.33Å; L353-S355 PolarHBondContact O-N 3.39Å; S355-C357 PolarHBondContact O-N 3.13Å; S355-Q358 VanDerWaalsContact O-CB 3.25Å; S355-Q358 WeakPolarHBondContact O-CB 3.05Å; S355-Q358 WeakPolarHBondContact O-CG 3.25Å; S355-Q358 PolarHBondContact O-N 3.14Å; S355-F359 VanDerWaalsContact O-CD2 3.27Å; S355-F359 WeakPolarHBondContact O-CD2 3.28Å
356	A	59.7	Low	65.7	Low	3 Å²	3	45 Å²	45	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-33.3	-178.9	0	0	0	0	0	112.8	W352 L353 Q358 F359 D360 F363 L565	W352-A356 VanDerWaalsContact O-CB 3.28Å; W352-A356 WeakPolarHBondContact O-CB 3.4Å; W352-A356 PolarHBondContact O-N 3.18Å; L353-A356 WeakPolarHBondContact O-CB 3.13Å; L353-A356 PolarHBondContact O-N 3.43Å; L353-A356 VanDerWaalsContact O-N 3.15Å; A356-Q358 PolarHBondContact O-N 2.75Å; A356-F359 PolarHBondContact O-N 3.18Å; A356-D360 PolarHBondContact O-N 2.67Å; A356-D360 VanDerWaalsContact O-N 3.07Å; A356-F363 HydrophobicContact CB-CB 4.46Å; A356-F363 HydrophobicContact CB-CD1 4.44Å; A356-F363 HydrophobicContact CB-CD2 3.49Å; A356-F363 VanDerWaalsContact CB-CD2 3.49Å; A356-F363 HydrophobicContact CB-CE2 3.71Å; A356-F363 HydrophobicContact CB-CG 3.89Å; A356-F363 HydrophobicContact CB-CZ 4.31Å; A356-F363 WeakPolarHBondContact O-CD2 3.26Å; A356-L565 HydrophobicContact CB-CD1 3.61Å
357	C	60.4	Low	65.8	Low	16 Å²	16	46.8 Å²	46.8	11%	0.108	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.3	171	-65.5	0	0	0	0	115	L353 S355 F363 N364	L353-C357 PolarHBondContact O-N 3.24Å; L353-C357 PolarHBondContact O-SG 3.15Å; L353-C357 VanDerWaalsContact O-SG 3.39Å; S355-C357 PolarHBondContact O-N 3.13Å; C357-F363 HydrophobicContact CB-CB 4.44Å; C357-F363 VanDerWaalsContact SG-CB 3.58Å; C357-N364 VanDerWaalsContact CB-OD1 3.31Å; C357-N364 WeakPolarHBondContact CB-OD1 3.23Å; C357-N364 PolarHBondContact SG-OD1 2.92Å
358	Q	50.4	Low	66	Low	92 Å²	92	42.9 Å²	42.9	43%	0.43	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.3	175.2	-54.4	177.7	-32.1	0	0	112.8	S355 A356 L873	S355-Q358 VanDerWaalsContact O-CB 3.25Å; S355-Q358 WeakPolarHBondContact O-CB 3.05Å; S355-Q358 WeakPolarHBondContact O-CG 3.25Å; S355-Q358 PolarHBondContact O-N 3.14Å; A356-Q358 PolarHBondContact O-N 2.75Å; Q358-L873 HydrophobicContact CB-CD2 3.79Å
359	F	50.7	Low	66.5	Low	66 Å²	66	42.5 Å²	42.5	29%	0.289	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-42.1	-179.2	-61.9	-103.2	0	0	0	112	S355 A356 L634 L637 L873	S355-F359 VanDerWaalsContact O-CD2 3.27Å; S355-F359 WeakPolarHBondContact O-CD2 3.28Å; A356-F359 PolarHBondContact O-N 3.18Å; F359-L634 HydrophobicContact CD1-CD1 4.14Å; F359-L634 HydrophobicContact CE1-CD1 3.72Å; F359-L634 HydrophobicContact CE2-CD1 4.44Å; F359-L634 HydrophobicContact CZ-CD1 3.9Å; F359-L637 HydrophobicContact CE1-CD1 3.81Å; F359-L637 HydrophobicContact CZ-CD1 4.31Å; F359-L873 HydrophobicContact CD1-CD1 4.38Å; F359-L873 HydrophobicContact CD1-CD2 4.2Å; F359-L873 HydrophobicContact CD2-CD2 4.03Å; F359-L873 HydrophobicContact CE1-CD1 3.69Å; F359-L873 HydrophobicContact CE1-CD2 3.95Å; F359-L873 HydrophobicContact CE1-CG 4.32Å; F359-L873 HydrophobicContact CE2-CD2 3.75Å; F359-L873 HydrophobicContact CG-CD2 4.24Å; F359-L873 HydrophobicContact CZ-CD1 3.89Å; F359-L873 HydrophobicContact CZ-CD2 3.71Å; F359-L873 HydrophobicContact CZ-CG 4.44Å
360	D	57.8	Low	67.6	Low	14 Å²	14	39.1 Å²	39.1	8%	0.075	21%	0.207	C	C	.	.			trans	-137.2	114.3	177.5	-174	-19.5	0	0	0	108.6	A356 Q362 F363 Q561 T971	A356-D360 PolarHBondContact O-N 2.67Å; A356-D360 VanDerWaalsContact O-N 3.07Å; D360-Q362 PolarHBondContact O-N 3.4Å; D360-Q362 VanDerWaalsContact O-N 3.13Å; D360-Q362 WeakPolarHBondContact OD1-CB 3.36Å; D360-Q362 WeakPolarHBondContact OD1-CG 3.27Å; D360-Q362 PolarHBondContact OD1-N 2.84Å; D360-Q362 PolarHBondContact OD1-NE2 3.31Å; D360-Q362 VanDerWaalsContact OD1-NE2 3.08Å; D360-Q362 PolarHBondContact OD2-NE2 3.49Å; D360-F363 HydrophobicContact CB-CD2 3.84Å; D360-F363 HydrophobicContact CB-CE2 3.78Å; D360-F363 VanDerWaalsContact O-CD2 3.26Å; D360-F363 WeakPolarHBondContact O-CD2 3.04Å; D360-F363 PolarHBondContact O-N 2.99Å; D360-F363 VanDerWaalsContact O-N 3.13Å; D360-Q561 PolarHBondContact OD2-NE2 3.45Å; D360-T971 HydrophobicContact CB-CG2 3.98Å
361	S	65.3	Low	68.6	Low	33 Å²	33	37.9 Å²	37.9	23%	0.231	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66.9	-13.1	-176.6	56	0	0	0	0	113.1	F363 N364 D990	S361-F363 PolarHBondContact O-N 2.88Å; S361-N364 VanDerWaalsContact O-CB 3.28Å; S361-N364 WeakPolarHBondContact O-CB 3.45Å; S361-N364 PolarHBondContact O-N 2.91Å; S361-N364 PolarHBondContact O-ND2 2.81Å; S361-D990 WeakPolarHBondContact CB-O 3.44Å; S361-D990 PolarHBondContact OG-O 3.27Å
362	Q	69.2	Low	69.8	Low	54 Å²	54	34.5 Å²	34.5	25%	0.252	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-62.1	-22.4	171.7	-61.5	174.2	74.5	0	0	113	D360 N364 E365 L558	D360-Q362 PolarHBondContact O-N 3.4Å; D360-Q362 VanDerWaalsContact O-N 3.13Å; D360-Q362 WeakPolarHBondContact OD1-CB 3.36Å; D360-Q362 WeakPolarHBondContact OD1-CG 3.27Å; D360-Q362 PolarHBondContact OD1-N 2.84Å; D360-Q362 PolarHBondContact OD1-NE2 3.31Å; D360-Q362 VanDerWaalsContact OD1-NE2 3.08Å; D360-Q362 PolarHBondContact OD2-NE2 3.49Å; Q362-N364 VanDerWaalsContact C-N 3.26Å; Q362-N364 PolarHBondContact O-N 3.2Å; Q362-E365 WeakPolarHBondContact O-CB 3.42Å; Q362-E365 WeakPolarHBondContact O-CG 3.45Å; Q362-E365 PolarHBondContact O-N 2.86Å; Q362-L558 HydrophobicContact CB-CD2 3.72Å
363	F	70.9	Confident	71.1	Confident	11 Å²	11	32.9 Å²	32.9	5%	0.048	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-67.6	-23	171.5	-66.7	-62.9	0	0	0	113.1	L353 A356 C357 D360 S361 E365 I366 L558 Q561 I562	L353-F363 HydrophobicContact CD2-CD1 4.5Å; A356-F363 HydrophobicContact CB-CB 4.46Å; A356-F363 HydrophobicContact CB-CD1 4.44Å; A356-F363 HydrophobicContact CB-CD2 3.49Å; A356-F363 VanDerWaalsContact CB-CD2 3.49Å; A356-F363 HydrophobicContact CB-CE2 3.71Å; A356-F363 HydrophobicContact CB-CG 3.89Å; A356-F363 HydrophobicContact CB-CZ 4.31Å; A356-F363 WeakPolarHBondContact O-CD2 3.26Å; C357-F363 HydrophobicContact CB-CB 4.44Å; C357-F363 VanDerWaalsContact SG-CB 3.58Å; D360-F363 HydrophobicContact CB-CD2 3.84Å; D360-F363 HydrophobicContact CB-CE2 3.78Å; D360-F363 VanDerWaalsContact O-CD2 3.26Å; D360-F363 WeakPolarHBondContact O-CD2 3.04Å; D360-F363 PolarHBondContact O-N 2.99Å; D360-F363 VanDerWaalsContact O-N 3.13Å; S361-F363 PolarHBondContact O-N 2.88Å; F363-E365 PolarHBondContact O-N 2.84Å; F363-I366 HydrophobicContact CD1-CD1 4.26Å; F363-I366 WeakPolarHBondContact O-CB 3.17Å; F363-I366 PolarHBondContact O-N 2.87Å; F363-L558 HydrophobicContact CD1-CD2 4.04Å; F363-L558 HydrophobicContact CE1-CD2 3.93Å; F363-L558 HydrophobicContact CZ-CD2 4.48Å; F363-Q561 HydrophobicContact CE1-CB 4.24Å; F363-Q561 HydrophobicContact CZ-CB 3.66Å; F363-I562 HydrophobicContact CD1-CG1 4.25Å; F363-I562 HydrophobicContact CE1-CG1 3.76Å
364	N	73.2	Confident	72.2	Confident	69 Å²	69	33 Å²	33	37%	0.369	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-64.2	-19.6	174.2	-71.9	-49.2	0	0	0	112.9	C357 S361 Q362 I366 R545	C357-N364 VanDerWaalsContact CB-OD1 3.31Å; C357-N364 WeakPolarHBondContact CB-OD1 3.23Å; C357-N364 PolarHBondContact SG-OD1 2.92Å; S361-N364 VanDerWaalsContact O-CB 3.28Å; S361-N364 WeakPolarHBondContact O-CB 3.45Å; S361-N364 PolarHBondContact O-N 2.91Å; S361-N364 PolarHBondContact O-ND2 2.81Å; Q362-N364 VanDerWaalsContact C-N 3.26Å; Q362-N364 PolarHBondContact O-N 3.2Å; N364-I366 PolarHBondContact O-N 3.32Å; N364-R545 WeakPolarHBondContact O-CD 3.35Å; N364-R545 PolarHBondContact O-NE 2.86Å; N364-R545 PolarHBondContact O-NH1 3.3Å
365	E	75.1	Confident	73.4	Confident	59 Å²	59	28 Å²	28	28%	0.276	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-71.7	-13.6	173.5	-53.9	177.3	138.4	0	0	112.7	Q362 F363 R545 K550 K554	Q362-E365 WeakPolarHBondContact O-CB 3.42Å; Q362-E365 WeakPolarHBondContact O-CG 3.45Å; Q362-E365 PolarHBondContact O-N 2.86Å; F363-E365 PolarHBondContact O-N 2.84Å; E365-R545 PolarHBondContact O-N 3.16Å; E365-K550 VanDerWaalsContact CB-NZ 3.28Å; E365-K550 VanDerWaalsContact CD-CE 3.5Å; E365-K550 WeakPolarHBondContact OE2-CE 3.49Å; E365-K550 IonicContact OE2-NZ 2.64Å; E365-K550 PolarHBondContact OE2-NZ 3.33Å; E365-K554 IonicContact OE1-NZ 3.4Å; E365-K554 PolarHBondContact OE1-NZ 3.24Å; E365-K554 VanDerWaalsContact OE2-CE 3.31Å; E365-K554 WeakPolarHBondContact OE2-CE 3.2Å; E365-K554 IonicContact OE2-NZ 2.67Å; E365-K554 PolarHBondContact OE2-NZ 2.91Å
366	I	79.3	Confident	74.5	Confident	6 Å²	6	27.2 Å²	27.2	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.1	-177.8	-58.5	-173.1	0	0	0	109.4	L353 F363 N364 I542 G543 R545 L558 I562	L353-I366 HydrophobicContact CD2-CG2 4.21Å; F363-I366 HydrophobicContact CD1-CD1 4.26Å; F363-I366 WeakPolarHBondContact O-CB 3.17Å; F363-I366 PolarHBondContact O-N 2.87Å; N364-I366 PolarHBondContact O-N 3.32Å; I366-I542 HydrophobicContact CD1-CG2 4.41Å; I366-I542 HydrophobicContact CG2-CG2 4.07Å; I366-G543 WeakPolarHBondContact CA-O 3.5Å; I366-G543 WeakPolarHBondContact CG2-O 3.26Å; I366-R545 PolarHBondContact O-NE 2.91Å; I366-R545 PolarHBondContact O-NH2 3.43Å; I366-L558 HydrophobicContact CD1-CB 4.16Å; I366-L558 HydrophobicContact CD1-CD1 4.3Å; I366-I562 HydrophobicContact CD1-CD1 3.78Å
367	E	80.1	Confident	75.2	Confident	45 Å²	45	27.4 Å²	27.4	21%	0.21	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-31.8	177.5	-158.2	177.4	125.5	0	0	111.6	W395 K399 R443 G543 R545	E367-W395 HydrophobicContact CB-CH2 4.32Å; E367-W395 HydrophobicContact CB-CZ3 4.22Å; E367-W395 HydrophobicContact CG-CE3 4.35Å; E367-W395 HydrophobicContact CG-CZ3 4.02Å; E367-W395 VanDerWaalsContact OE1-CZ3 3.29Å; E367-W395 WeakPolarHBondContact OE1-CZ3 3.33Å; E367-K399 VanDerWaalsContact OE1-CD 3.23Å; E367-K399 WeakPolarHBondContact OE1-CD 3.42Å; E367-K399 WeakPolarHBondContact OE1-CE 3.47Å; E367-K399 IonicContact OE1-NZ 3.67Å; E367-K399 PolarHBondContact OE1-NZ 2.89Å; E367-K399 IonicContact OE2-NZ 3.23Å; E367-K399 PolarHBondContact OE2-NZ 3.04Å; E367-R443 IonicContact OE2-NH1 2.74Å; E367-G543 PolarHBondContact N-O 3.29Å; E367-R545 HydrophobicContact CB-CG 3.87Å; E367-R545 HydrophobicContact CG-CG 4.23Å
368	G	80.8	Confident	75.4	Confident	3 Å²	3	34.5 Å²	34.5	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	175.5	174.1	0	0	0	0	0	111.5	G543	G368-G543 PolarHBondContact O-N 2.92Å
369	C	85.7	Confident	75.9	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.034	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	166.8	-179.8	-159.4	0	0	0	0	110.8	I348 L353 W395 V540 L541	I348-C369 HydrophobicContact CG2-CB 4.18Å; L353-C369 HydrophobicContact CD1-CB 3.7Å; C369-W395 PolarHBondContact O-NE1 2.88Å; C369-V540 WeakPolarHBondContact SG-CG2 3.49Å; C369-L541 CarbonylContact C-O 3.55Å; C369-L541 WeakPolarHBondContact CA-O 3.35Å
370	S	88.5	Confident	76.6	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.042	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-90.4	172.5	159.5	72	0	0	0	0	110.9	L541	S370-L541 PolarHBondContact N-O 3.34Å; S370-L541 PolarHBondContact OG-N 3.49Å
371	N	87.4	Confident	77.4	Confident	38 Å²	38	42.4 Å²	42.4	20%	0.203	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-59.3	155.9	157.5	-58	-50.6	0	0	0	110.1	K345 I346 E347 I348 F373	K345-N371 WeakPolarHBondContact CE-ND2 3.33Å; K345-N371 HydrophobicContact CG-CB 4.18Å; I346-N371 CarbonylContact O-C 3.53Å; I346-N371 WeakPolarHBondContact O-CA 3.32Å; I346-N371 WeakPolarHBondContact O-CB 3.46Å; E347-N371 WeakPolarHBondContact CA-OD1 3.49Å; I348-N371 PolarHBondContact N-OD1 2.8Å; N371-F373 HydrophobicContact CB-CE1 4.28Å; N371-F373 HydrophobicContact CB-CE2 4.5Å; N371-F373 HydrophobicContact CB-CZ 3.98Å; N371-F373 WeakPolarHBondContact O-CD2 3.36Å; N371-F373 WeakPolarHBondContact O-CE2 3.31Å
372	I	87.4	Confident	78.1	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.7	170.6	-54.9	165.6	0	0	0	108.8	I346 I348 W515 R538 V540 M559 E563	I346-I372 HydrophobicContact CB-CB 4.23Å; I346-I372 HydrophobicContact CD1-CB 4.36Å; I346-I372 HydrophobicContact CD1-CG2 4.5Å; I346-I372 PolarHBondContact N-O 2.89Å; I346-I372 PolarHBondContact O-N 2.78Å; I348-I372 HydrophobicContact CD1-CD1 3.94Å; I348-I372 HydrophobicContact CD1-CG1 3.67Å; I348-I372 HydrophobicContact CG1-CG1 4.48Å; I372-W515 HydrophobicContact CD1-CZ2 4.12Å; I372-W515 HydrophobicContact CG1-CH2 4.49Å; I372-W515 HydrophobicContact CG1-CZ2 4.47Å; I372-W515 HydrophobicContact CG2-CH2 3.79Å; I372-W515 HydrophobicContact CG2-CZ2 4.27Å; I372-R538 HydrophobicContact CG2-CB 4.22Å; I372-V540 HydrophobicContact CG1-CB 4.24Å; I372-V540 HydrophobicContact CG1-CG2 4.05Å; I372-M559 HydrophobicContact CD1-CE 3.73Å; I372-M559 HydrophobicContact CG1-CE 3.91Å; I372-E563 HydrophobicContact CD1-CB 4.39Å; I372-E563 HydrophobicContact CD1-CG 4.28Å
373	F	89.4	Confident	78.8	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.4	177.9	-55.9	-74.7	0	0	0	109	L326 F343 K345 N371 F375 L390 P391 R538 F539	L326-F373 HydrophobicContact CD1-CB 4.34Å; L326-F373 HydrophobicContact CD1-CD1 3.52Å; L326-F373 HydrophobicContact CD1-CE1 4.1Å; L326-F373 HydrophobicContact CD1-CG 4.06Å; F343-F373 HydrophobicContact CE2-CB 4.09Å; F343-F373 HydrophobicContact CE2-CD1 4.16Å; F343-F373 AromaticContact CZ-CD1 3.98Å; F343-F373 HydrophobicContact CZ-CD1 3.98Å; K345-F373 HydrophobicContact CD-CE1 4.29Å; K345-F373 HydrophobicContact CG-CE1 4.28Å; N371-F373 HydrophobicContact CB-CE1 4.28Å; N371-F373 HydrophobicContact CB-CE2 4.5Å; N371-F373 HydrophobicContact CB-CZ 3.98Å; N371-F373 WeakPolarHBondContact O-CD2 3.36Å; N371-F373 WeakPolarHBondContact O-CE2 3.31Å; F373-F375 HydrophobicContact CB-CE2 4.31Å; F373-L390 HydrophobicContact CB-CD2 3.9Å; F373-L390 HydrophobicContact CD2-CB 4.45Å; F373-L390 HydrophobicContact CD2-CD1 3.99Å; F373-L390 HydrophobicContact CD2-CD2 3.99Å; F373-L390 HydrophobicContact CD2-CG 4.37Å; F373-L390 HydrophobicContact CG-CD2 3.87Å; F373-P391 HydrophobicContact CE1-CG 3.74Å; F373-P391 HydrophobicContact CE2-CG 4.19Å; F373-P391 HydrophobicContact CZ-CG 3.36Å; F373-R538 CarbonylContact O-C 2.84Å; F373-R538 WeakPolarHBondContact O-CA 3.38Å; F373-F539 PolarHBondContact N-O 2.77Å; F373-F539 PolarHBondContact O-N 2.78Å
374	E	87.6	Confident	79.4	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.047	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.6	-171.7	164.4	166.4	173.3	0	0	111.2	F343 K344 I346 Q376 R538	F343-E374 CarbonylContact C-O 3.48Å; F343-E374 WeakPolarHBondContact CA-O 3.31Å; F343-E374 WeakPolarHBondContact CD2-O 3.4Å; K344-E374 HydrophobicContact CB-CB 4.15Å; K344-E374 HydrophobicContact CB-CG 4.34Å; K344-E374 PolarHBondContact N-O 2.84Å; K344-E374 PolarHBondContact O-N 3.1Å; I346-E374 WeakPolarHBondContact CD1-OE2 3.21Å; E374-Q376 HydrophobicContact CG-CG 3.92Å; E374-Q376 PolarHBondContact OE1-NE2 3.02Å; E374-R538 HydrophobicContact CB-CG 3.86Å; E374-R538 HydrophobicContact CG-CG 3.78Å; E374-R538 WeakPolarHBondContact OE2-CD 3.48Å; E374-R538 IonicContact OE2-CZ 3.93Å; E374-R538 IonicContact OE2-NE 3.93Å; E374-R538 PolarHBondContact OE2-NE 3.01Å; E374-R538 IonicContact OE2-NH2 2.79Å
375	F	87.3	Confident	80.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	103.2	176.6	-59	-86.1	0	0	0	109	F308 F317 L326 V328 F343 F373 L377 I388 L390 L536 G537 F539	F308-F375 HydrophobicContact CE1-CD1 4.22Å; F308-F375 HydrophobicContact CZ-CD1 4.3Å; F317-F375 HydrophobicContact CE1-CE1 4.41Å; L326-F375 HydrophobicContact CD1-CZ 4.18Å; L326-F375 HydrophobicContact CD2-CE1 4.24Å; L326-F375 HydrophobicContact CD2-CZ 4.07Å; V328-F375 HydrophobicContact CG2-CD1 4.39Å; V328-F375 HydrophobicContact CG2-CE1 3.54Å; V328-F375 HydrophobicContact CG2-CZ 3.66Å; F343-F375 HydrophobicContact CB-CD1 4.16Å; F343-F375 HydrophobicContact CB-CE1 4.21Å; F343-F375 AromaticContact CD2-CD1 3.75Å; F343-F375 HydrophobicContact CD2-CD1 3.75Å; F343-F375 AromaticContact CD2-CE1 3.4Å; F343-F375 HydrophobicContact CD2-CE1 3.4Å; F343-F375 HydrophobicContact CD2-CE2 4.34Å; F343-F375 HydrophobicContact CD2-CG 4.36Å; F343-F375 AromaticContact CD2-CZ 3.74Å; F343-F375 HydrophobicContact CD2-CZ 3.74Å; F343-F375 HydrophobicContact CE2-CE1 4.06Å; F343-F375 HydrophobicContact CE2-CE2 4.43Å; F343-F375 AromaticContact CE2-CZ 3.93Å; F343-F375 HydrophobicContact CE2-CZ 3.93Å; F343-F375 HydrophobicContact CG-CD1 4.28Å; F343-F375 AromaticContact CG-CE1 3.93Å; F343-F375 HydrophobicContact CG-CE1 3.93Å; F373-F375 HydrophobicContact CB-CE2 4.31Å; F375-L377 PolarHBondContact O-N 3.14Å; F375-I388 HydrophobicContact CE2-CD1 4.46Å; F375-L390 HydrophobicContact CE2-CD2 4.41Å; F375-L536 HydrophobicContact CB-CB 4.08Å; F375-G537 PolarHBondContact N-O 3.1Å; F375-G537 PolarHBondContact O-N 3.07Å; F375-F539 AromaticContact CD2-CD2 3.81Å; F375-F539 HydrophobicContact CD2-CD2 3.81Å; F375-F539 AromaticContact CD2-CE2 3.82Å; F375-F539 HydrophobicContact CD2-CE2 3.82Å; F375-F539 AromaticContact CE2-CD2 3.93Å; F375-F539 HydrophobicContact CE2-CD2 3.93Å; F375-F539 HydrophobicContact CE2-CE2 4.22Å
376	Q	79.2	Confident	80.8	Confident	40 Å²	40	47.7 Å²	47.7	19%	0.187	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	97.1	-179.8	-48.7	-160	-47	0	0	109.7	T341 I342 E374 F451	T341-Q376 VanDerWaalsContact CG2-O 3.3Å; T341-Q376 WeakPolarHBondContact CG2-O 3.24Å; I342-Q376 HydrophobicContact CB-CB 4.11Å; I342-Q376 HydrophobicContact CB-CG 4.32Å; I342-Q376 PolarHBondContact N-O 3.36Å; I342-Q376 PolarHBondContact O-N 3.41Å; E374-Q376 HydrophobicContact CG-CG 3.92Å; E374-Q376 PolarHBondContact OE1-NE2 3.02Å; Q376-F451 HydrophobicContact CB-CE1 4.42Å; Q376-F451 HydrophobicContact CB-CE2 3.72Å; Q376-F451 HydrophobicContact CB-CZ 3.66Å; Q376-F451 HydrophobicContact CG-CE2 3.63Å; Q376-F451 HydrophobicContact CG-CZ 3.91Å
377	L	74.1	Confident	81.4	Confident	7 Å²	7	49 Å²	49	4%	0.037	24%	0.241	C	C	.	.			trans	-118.4	131.8	168.5	-175.4	67.4	0	0	0	108.1	I310 E339 T341 F375 D379 T380 L382 F451 L536	I310-L377 HydrophobicContact CD1-CD1 4.06Å; I310-L377 HydrophobicContact CD1-CD2 4.17Å; E339-L377 HydrophobicContact CB-CD1 3.91Å; E339-L377 HydrophobicContact CG-CD1 4.47Å; T341-L377 HydrophobicContact CG2-CB 4.16Å; T341-L377 HydrophobicContact CG2-CD1 4.47Å; F375-L377 PolarHBondContact O-N 3.14Å; L377-D379 PolarHBondContact O-N 3.21Å; L377-T380 WeakPolarHBondContact CD2-O 3.41Å; L377-T380 WeakPolarHBondContact CG-OG1 3.31Å; L377-L382 HydrophobicContact CD2-CD2 3.7Å; L377-F451 VanDerWaalsContact O-CD1 3.23Å; L377-F451 WeakPolarHBondContact O-CD1 3.24Å; L377-L536 HydrophobicContact CB-CB 4.32Å; L377-L536 HydrophobicContact CB-CD1 4.44Å; L377-L536 HydrophobicContact CD2-CD1 4.13Å
378	Q	64.5	Low	82	Confident	165 Å²	165	46.9 Å²	46.9	77%	0.771	23%	0.231	S	C	*	.			trans	-79.8	108.4	-175.5	-66.1	-175.2	-1.9	0	0	110.9	T380	Q378-T380 PolarHBondContact O-N 3.35Å; Q378-T380 PolarHBondContact O-OG1 3.2Å
379	D	61.2	Low	82.6	Confident	139 Å²	139	49.1 Å²	49.1	74%	0.743	24%	0.241	S	C	*	.	S	Bend	trans	41.8	34.1	164.2	-59.1	-3.1	0	0	0	116.6	L377	L377-D379 PolarHBondContact O-N 3.21Å
380	T	64.9	Low	82.9	Confident	59 Å²	59	48.9 Å²	48.9	36%	0.362	24%	0.239	S	C	.	.			trans	-122.2	110.1	-179.5	27.9	0	0	0	0	111.2	L377 Q378	L377-T380 WeakPolarHBondContact CD2-O 3.41Å; L377-T380 WeakPolarHBondContact CG-OG1 3.31Å; Q378-T380 PolarHBondContact O-N 3.35Å; Q378-T380 PolarHBondContact O-OG1 3.2Å
381	E	74.8	Confident	82.9	Confident	139 Å²	139	49.2 Å²	49.2	65%	0.65	24%	0.241	S	C	*	.			trans	-70.7	135.7	168.3	-64.3	-163.1	150.1	0	0	110.9	K383 I535	E381-K383 PolarHBondContact O-N 2.92Å; E381-I535 HydrophobicContact CG-CG1 4.37Å; E381-I535 WeakPolarHBondContact OE1-CD1 3.29Å
382	L	79.3	Confident	83	Confident	4 Å²	4	48 Å²	48	2%	0.021	24%	0.235	C	C	.	.			trans	-73.1	118	178.8	-52.7	-172.5	0	0	0	109.4	V334 L377 R384 A386 T534 L536	V334-L382 HydrophobicContact CG1-CB 3.69Å; V334-L382 HydrophobicContact CG1-CD1 4.3Å; V334-L382 HydrophobicContact CG1-CD2 3.63Å; V334-L382 HydrophobicContact CG1-CG 4.05Å; L377-L382 HydrophobicContact CD2-CD2 3.7Å; L382-R384 WeakPolarHBondContact CB-O 3.46Å; L382-R384 PolarHBondContact O-N 2.87Å; L382-A386 HydrophobicContact CD1-CB 3.67Å; L382-T534 WeakPolarHBondContact CA-O 3.36Å; L382-T534 VanDerWaalsContact CB-O 3.24Å; L382-T534 WeakPolarHBondContact CB-O 3.09Å; L382-T534 WeakPolarHBondContact CG-O 3.46Å; L382-T534 PolarHBondContact N-O 2.9Å; L382-L536 HydrophobicContact CD1-CD1 4.34Å; L382-L536 HydrophobicContact CD1-CD2 4.17Å; L382-L536 HydrophobicContact CD1-CG 3.95Å; L382-L536 HydrophobicContact CG-CG 4.41Å
383	K	83.2	Confident	82.9	Confident	154 Å²	154	48.5 Å²	48.5	67%	0.67	24%	0.238	S	C	*	.	S	Bend	trans	-60.1	-10.7	-179.1	-61.4	-176.4	179.3	-174.6	0	114.7	V334 E381	V334-K383 WeakPolarHBondContact O-CB 3.42Å; V334-K383 WeakPolarHBondContact O-CG 3.33Å; E381-K383 PolarHBondContact O-N 2.92Å
384	R	84.5	Confident	82.6	Confident	118 Å²	118	53.8 Å²	53.8	45%	0.445	26%	0.263	S	S	.	.	S	Bend	trans	-143.6	143.8	172.3	-64.9	174.7	163.5	-175.6	-15	107.9	P331 K332 V334 L382 A386	P331-R384 HydrophobicContact CB-CB 4.32Å; P331-R384 HydrophobicContact CG-CB 4.38Å; K332-R384 WeakPolarHBondContact O-CD 3.34Å; K332-R384 PolarHBondContact O-NH1 3.07Å; V334-R384 HydrophobicContact CG2-CB 3.89Å; L382-R384 WeakPolarHBondContact CB-O 3.46Å; L382-R384 PolarHBondContact O-N 2.87Å; R384-A386 PolarHBondContact O-N 3.3Å
385	P	87.9	Confident	82.2	Confident	61 Å²	61	55.4 Å²	55.4	40%	0.396	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-65.4	134	-177.9	26.5	-34.4	0	0	0	111.6	P331 N532 T533 T534	P331-P385 WeakPolarHBondContact CD-O 3.23Å; P331-P385 VanDerWaalsContact CG-O 3.25Å; P331-P385 WeakPolarHBondContact CG-O 3.25Å; P385-N532 HydrophobicContact CB-CB 4.2Å; P385-T533 CarbonylContact C-O 3.58Å; P385-T533 VanDerWaalsContact CA-O 3.25Å; P385-T533 WeakPolarHBondContact CA-O 3.34Å; P385-T534 HydrophobicContact CB-CG2 4.09Å
386	A	90.1	Very high	82	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.7	166.8	0	0	0	0	0	110.1	V328 R329 I330 L382 R384 N532 T533	V328-A386 HydrophobicContact CG1-CB 4.29Å; R329-A386 CarbonylContact O-C 3.58Å; R329-A386 VanDerWaalsContact O-CA 3.31Å; R329-A386 WeakPolarHBondContact O-CA 3.43Å; R329-A386 WeakPolarHBondContact O-CB 3.09Å; I330-A386 HydrophobicContact CG1-CB 4.23Å; L382-A386 HydrophobicContact CD1-CB 3.67Å; R384-A386 PolarHBondContact O-N 3.3Å; A386-N532 CarbonylContact O-C 3.59Å; A386-N532 WeakPolarHBondContact O-CA 3.48Å; A386-T533 PolarHBondContact N-O 3.31Å; A386-T533 PolarHBondContact O-N 3.25Å
387	T	91.8	Very high	82.1	Confident	34 Å²	34	54.9 Å²	54.9	21%	0.209	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.1	171.6	-47.7	0	0	0	0	108.6	V328 R329 F531 N532	V328-T387 WeakPolarHBondContact CA-O 3.27Å; R329-T387 PolarHBondContact N-O 3.42Å; R329-T387 PolarHBondContact O-N 3.38Å; T387-F531 CarbonylContact C-O 3.58Å; T387-F531 WeakPolarHBondContact CA-O 3.35Å; T387-N532 WeakPolarHBondContact CA-OD1 3.32Å; T387-N532 WeakPolarHBondContact CB-OD1 3.48Å; T387-N532 WeakPolarHBondContact CG2-OD1 3.21Å; T387-N532 PolarHBondContact OG1-OD1 2.99Å
388	I	92.5	Very high	82.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.4	174.2	-58.3	-176.2	0	0	0	108.2	V328 F375 L390 S530 F531 T533 L536 F539	V328-I388 HydrophobicContact CG1-CG1 4.21Å; V328-I388 HydrophobicContact CG2-CG1 4.22Å; V328-I388 HydrophobicContact CG2-CG2 4.3Å; F375-I388 HydrophobicContact CE2-CD1 4.46Å; I388-L390 HydrophobicContact CG2-CD2 3.55Å; I388-L390 HydrophobicContact CG2-CG 3.81Å; I388-S530 VanDerWaalsContact O-CA 3.3Å; I388-S530 WeakPolarHBondContact O-CA 3.2Å; I388-F531 HydrophobicContact CB-CE1 4.11Å; I388-F531 HydrophobicContact CB-CE2 4.08Å; I388-F531 HydrophobicContact CB-CZ 3.82Å; I388-F531 HydrophobicContact CD1-CE2 4.01Å; I388-F531 HydrophobicContact CD1-CZ 4.1Å; I388-F531 HydrophobicContact CG1-CE2 4.4Å; I388-F531 HydrophobicContact CG1-CZ 4.47Å; I388-F531 HydrophobicContact CG2-CE1 4.06Å; I388-F531 HydrophobicContact CG2-CZ 3.87Å; I388-F531 PolarHBondContact N-O 2.89Å; I388-F531 PolarHBondContact O-N 3.3Å; I388-T533 HydrophobicContact CD1-CG2 3.47Å; I388-T533 VanDerWaalsContact CD1-CG2 3.47Å; I388-T533 HydrophobicContact CG1-CG2 4.02Å; I388-L536 HydrophobicContact CD1-CD2 3.93Å; I388-F539 HydrophobicContact CD1-CD2 4.36Å; I388-F539 HydrophobicContact CD1-CE2 3.66Å; I388-F539 HydrophobicContact CD1-CZ 3.81Å
389	H	92.4	Very high	82.9	Confident	51 Å²	51	54.7 Å²	54.7	24%	0.236	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.9	165.9	-55.5	-87	0	0	0	108.1	L326 S327 I529 S530	L326-H389 WeakPolarHBondContact CA-O 3.36Å; S327-H389 PolarHBondContact N-O 3.44Å; S327-H389 VanDerWaalsContact N-O 3.09Å; S327-H389 PolarHBondContact O-N 3.01Å; S327-H389 WeakPolarHBondContact OG-CB 3.46Å; S327-H389 PolarHBondContact OG-CD2 3.42Å; S327-H389 VanDerWaalsContact OG-CD2 3.25Å; H389-I529 WeakPolarHBondContact CA-O 3.23Å; H389-S530 VanDerWaalsContact ND1-CB 3.32Å; H389-S530 WeakPolarHBondContact ND1-CB 3.23Å; H389-S530 PolarHBondContact ND1-OG 2.92Å
390	L	91.9	Very high	83.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	148.9	174	-58.4	-179.9	0	0	0	109.9	L326 F373 F375 I388 L446 T528 I529 F531 F539	L326-L390 HydrophobicContact CD1-CD2 3.65Å; L326-L390 HydrophobicContact CG-CD2 4.41Å; F373-L390 HydrophobicContact CB-CD2 3.9Å; F373-L390 HydrophobicContact CD2-CB 4.45Å; F373-L390 HydrophobicContact CD2-CD1 3.99Å; F373-L390 HydrophobicContact CD2-CD2 3.99Å; F373-L390 HydrophobicContact CD2-CG 4.37Å; F373-L390 HydrophobicContact CG-CD2 3.87Å; F375-L390 HydrophobicContact CE2-CD2 4.41Å; I388-L390 HydrophobicContact CG2-CD2 3.55Å; I388-L390 HydrophobicContact CG2-CG 3.81Å; L390-L446 HydrophobicContact CD1-CD1 4.32Å; L390-T528 CarbonylContact O-C 3.44Å; L390-T528 WeakPolarHBondContact O-CA 3.38Å; L390-T528 VanDerWaalsContact O-CB 3.25Å; L390-T528 WeakPolarHBondContact O-CB 3.47Å; L390-I529 HydrophobicContact CB-CG2 3.91Å; L390-I529 PolarHBondContact N-O 3.44Å; L390-I529 PolarHBondContact O-N 2.88Å; L390-F531 HydrophobicContact CD1-CE1 3.78Å; L390-F531 HydrophobicContact CD1-CZ 4.08Å; L390-F531 HydrophobicContact CG-CE1 3.98Å; L390-F531 HydrophobicContact CG-CZ 4.45Å; L390-F539 HydrophobicContact CD1-CB 3.72Å; L390-F539 HydrophobicContact CD1-CG 4.46Å
391	P	89.8	Confident	83.1	Confident	13 Å²	13	49.6 Å²	49.6	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144	171.3	31.8	-38.2	0	0	0	111.1	F325 F373 L541	F325-P391 HydrophobicContact CB-CB 4.23Å; F373-P391 HydrophobicContact CE1-CG 3.74Å; F373-P391 HydrophobicContact CE2-CG 4.19Å; F373-P391 HydrophobicContact CZ-CG 3.36Å; P391-L541 WeakPolarHBondContact O-CD1 3.42Å
392	L	88.5	Confident	81.8	Confident	13 Å²	13	49.4 Å²	49.4	7%	0.068	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-75.9	150.1	169.8	-72.5	169.5	0	0	0	110.7	Y396 I397 L444 Y524 R527 I529	L392-Y396 HydrophobicContact CB-CD1 4.43Å; L392-Y396 HydrophobicContact CD1-CD1 4.19Å; L392-Y396 HydrophobicContact CD1-CE1 4.21Å; L392-Y396 HydrophobicContact CD2-CD1 4.04Å; L392-Y396 HydrophobicContact CD2-CE1 4.11Å; L392-Y396 HydrophobicContact CG-CD1 4.46Å; L392-I397 HydrophobicContact CB-CD1 4.02Å; L392-I397 HydrophobicContact CB-CG1 3.82Å; L392-L444 HydrophobicContact CD2-CD2 3.66Å; L392-Y524 HydrophobicContact CD2-CD1 4.15Å; L392-Y524 HydrophobicContact CD2-CE1 4.14Å; L392-R527 PolarHBondContact N-O 2.63Å; L392-I529 HydrophobicContact CD2-CB 3.9Å; L392-I529 HydrophobicContact CD2-CG2 4.3Å; L392-I529 HydrophobicContact CG-CB 4.49Å
393	P	86.4	Confident	80.1	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.058	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-61.3	142	172.9	-19.2	30.7	0	0	0	112	W395 Y396 I397 L444	P393-W395 VanDerWaalsContact C-N 3.32Å; P393-W395 HydrophobicContact CB-CD2 4.34Å; P393-W395 HydrophobicContact CB-CG 4.23Å; P393-W395 HydrophobicContact CB-CZ2 4.2Å; P393-W395 HydrophobicContact CG-CZ2 4.13Å; P393-W395 PolarHBondContact O-N 3.47Å; P393-Y396 WeakPolarHBondContact O-CB 3.35Å; P393-Y396 PolarHBondContact O-N 3.2Å; P393-I397 PolarHBondContact O-N 3.11Å; P393-L444 HydrophobicContact CG-CD1 4.46Å
394	Q	81.9	Confident	78	Confident	114 Å²	114	48.7 Å²	48.7	53%	0.533	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-41.9	-178.7	-174	57.2	42.5	0	0	112.3	Y396 I397 D398	Q394-Y396 PolarHBondContact O-N 2.76Å; Q394-I397 WeakPolarHBondContact O-CB 3.43Å; Q394-I397 PolarHBondContact O-N 2.64Å; Q394-I397 VanDerWaalsContact O-N 3.14Å; Q394-D398 WeakPolarHBondContact CG-OD2 3.35Å; Q394-D398 PolarHBondContact NE2-OD1 2.99Å; Q394-D398 PolarHBondContact NE2-OD2 2.99Å; Q394-D398 PolarHBondContact O-N 3.32Å
395	W	81.1	Confident	75.7	Confident	43 Å²	43	47.8 Å²	47.8	16%	0.163	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-33.3	176	66.7	-98.1	0	0	0	113	E367 C369 P393 K399 L444	E367-W395 HydrophobicContact CB-CH2 4.32Å; E367-W395 HydrophobicContact CB-CZ3 4.22Å; E367-W395 HydrophobicContact CG-CE3 4.35Å; E367-W395 HydrophobicContact CG-CZ3 4.02Å; E367-W395 VanDerWaalsContact OE1-CZ3 3.29Å; E367-W395 WeakPolarHBondContact OE1-CZ3 3.33Å; C369-W395 PolarHBondContact O-NE1 2.88Å; P393-W395 VanDerWaalsContact C-N 3.32Å; P393-W395 HydrophobicContact CB-CD2 4.34Å; P393-W395 HydrophobicContact CB-CG 4.23Å; P393-W395 HydrophobicContact CB-CZ2 4.2Å; P393-W395 HydrophobicContact CG-CZ2 4.13Å; P393-W395 PolarHBondContact O-N 3.47Å; W395-K399 WeakPolarHBondContact O-CB 3.23Å; W395-K399 PolarHBondContact O-N 3.25Å; W395-L444 HydrophobicContact CH2-CD1 4.09Å; W395-L444 HydrophobicContact CZ2-CD1 4.14Å
396	Y	83	Confident	73.1	Confident	6 Å²	6	54 Å²	54	2%	0.024	26%	0.261	C	S	.	.	H	α-helix	trans	-75.2	-43.1	176.4	-176	-89.3	0	0	0	110.5	L392 P393 Q394 D398 K399 F400 L444	L392-Y396 HydrophobicContact CB-CD1 4.43Å; L392-Y396 HydrophobicContact CD1-CD1 4.19Å; L392-Y396 HydrophobicContact CD1-CE1 4.21Å; L392-Y396 HydrophobicContact CD2-CD1 4.04Å; L392-Y396 HydrophobicContact CD2-CE1 4.11Å; L392-Y396 HydrophobicContact CG-CD1 4.46Å; P393-Y396 WeakPolarHBondContact O-CB 3.35Å; P393-Y396 PolarHBondContact O-N 3.2Å; Q394-Y396 PolarHBondContact O-N 2.76Å; Y396-D398 VanDerWaalsContact C-N 3.34Å; Y396-D398 PolarHBondContact O-N 2.83Å; Y396-K399 PolarHBondContact O-N 3.1Å; Y396-F400 HydrophobicContact CD1-CD2 4.31Å; Y396-F400 AromaticContact CD2-CD2 3.49Å; Y396-F400 HydrophobicContact CD2-CD2 3.49Å; Y396-F400 VanDerWaalsContact CD2-CD2 3.49Å; Y396-F400 AromaticContact CD2-CE2 3.62Å; Y396-F400 HydrophobicContact CD2-CE2 3.62Å; Y396-F400 HydrophobicContact CE1-CB 4.45Å; Y396-F400 HydrophobicContact CE1-CD2 4.3Å; Y396-F400 AromaticContact CE2-CD2 3.46Å; Y396-F400 HydrophobicContact CE2-CD2 3.46Å; Y396-F400 VanDerWaalsContact CE2-CD2 3.46Å; Y396-F400 AromaticContact CE2-CE2 3.57Å; Y396-F400 HydrophobicContact CE2-CE2 3.57Å; Y396-F400 HydrophobicContact CE2-CG 4.24Å; Y396-F400 HydrophobicContact CE2-CZ 4.41Å; Y396-F400 AromaticContact CG-CD2 3.92Å; Y396-F400 HydrophobicContact CG-CD2 3.92Å; Y396-F400 HydrophobicContact CG-CE2 4.45Å; Y396-F400 AromaticContact CZ-CD2 3.89Å; Y396-F400 WeakPolarHBondContact O-CD2 3.03Å; Y396-F400 PolarHBondContact O-N 3.24Å; Y396-L444 HydrophobicContact CD2-CD1 4.13Å; Y396-L444 HydrophobicContact CE2-CB 4.08Å; Y396-L444 HydrophobicContact CE2-CD1 4.5Å; Y396-L444 HydrophobicContact CE2-CD2 4.48Å
397	I	81.2	Confident	70.5	Confident	23 Å²	23	60 Å²	60	12%	0.118	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-48.7	174.2	-70.2	170.5	0	0	0	110.6	L392 P393 Q394 K399 N401 R527	L392-I397 HydrophobicContact CB-CD1 4.02Å; L392-I397 HydrophobicContact CB-CG1 3.82Å; P393-I397 PolarHBondContact O-N 3.11Å; Q394-I397 WeakPolarHBondContact O-CB 3.43Å; Q394-I397 PolarHBondContact O-N 2.64Å; Q394-I397 VanDerWaalsContact O-N 3.14Å; I397-K399 VanDerWaalsContact C-N 3.31Å; I397-K399 PolarHBondContact O-N 2.59Å; I397-N401 WeakPolarHBondContact O-CB 3.31Å; I397-N401 PolarHBondContact O-N 3.35Å; I397-N401 PolarHBondContact O-ND2 2.89Å; I397-R527 HydrophobicContact CD1-CG 4.39Å
398	D	79.7	Confident	67.8	Low	69 Å²	69	63.9 Å²	63.9	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-69.9	-25.6	-176.2	-70	-36.9	0	0	0	113.8	Q394 Y396 K402	Q394-D398 WeakPolarHBondContact CG-OD2 3.35Å; Q394-D398 PolarHBondContact NE2-OD1 2.99Å; Q394-D398 PolarHBondContact NE2-OD2 2.99Å; Q394-D398 PolarHBondContact O-N 3.32Å; Y396-D398 VanDerWaalsContact C-N 3.34Å; Y396-D398 PolarHBondContact O-N 2.83Å; D398-K402 WeakPolarHBondContact O-CD 3.36Å; D398-K402 VanDerWaalsContact O-CE 3.24Å; D398-K402 WeakPolarHBondContact O-CE 3.27Å; D398-K402 WeakPolarHBondContact O-CG 3.01Å
399	K	75.1	Confident	65	Low	100 Å²	100	72.1 Å²	72.1	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-84.6	-42.6	177.1	-177.9	170.3	172.9	175.5	0	112.6	E367 W395 Y396 I397	E367-K399 VanDerWaalsContact OE1-CD 3.23Å; E367-K399 WeakPolarHBondContact OE1-CD 3.42Å; E367-K399 WeakPolarHBondContact OE1-CE 3.47Å; E367-K399 IonicContact OE1-NZ 3.67Å; E367-K399 PolarHBondContact OE1-NZ 2.89Å; E367-K399 IonicContact OE2-NZ 3.23Å; E367-K399 PolarHBondContact OE2-NZ 3.04Å; W395-K399 WeakPolarHBondContact O-CB 3.23Å; W395-K399 PolarHBondContact O-N 3.25Å; Y396-K399 PolarHBondContact O-N 3.1Å; I397-K399 VanDerWaalsContact C-N 3.31Å; I397-K399 PolarHBondContact O-N 2.59Å
400	F	67.5	Low	61.9	Low	53 Å²	53	73.7 Å²	73.7	23%	0.232	37%	0.368	C	S	.	.	H	α-helix	trans	-106.4	-14.8	-168.1	-66.3	-80.2	0	0	0	115.7	Y396 S403	Y396-F400 HydrophobicContact CD1-CD2 4.31Å; Y396-F400 AromaticContact CD2-CD2 3.49Å; Y396-F400 HydrophobicContact CD2-CD2 3.49Å; Y396-F400 VanDerWaalsContact CD2-CD2 3.49Å; Y396-F400 AromaticContact CD2-CE2 3.62Å; Y396-F400 HydrophobicContact CD2-CE2 3.62Å; Y396-F400 HydrophobicContact CE1-CB 4.45Å; Y396-F400 HydrophobicContact CE1-CD2 4.3Å; Y396-F400 AromaticContact CE2-CD2 3.46Å; Y396-F400 HydrophobicContact CE2-CD2 3.46Å; Y396-F400 VanDerWaalsContact CE2-CD2 3.46Å; Y396-F400 AromaticContact CE2-CE2 3.57Å; Y396-F400 HydrophobicContact CE2-CE2 3.57Å; Y396-F400 HydrophobicContact CE2-CG 4.24Å; Y396-F400 HydrophobicContact CE2-CZ 4.41Å; Y396-F400 AromaticContact CG-CD2 3.92Å; Y396-F400 HydrophobicContact CG-CD2 3.92Å; Y396-F400 HydrophobicContact CG-CE2 4.45Å; Y396-F400 AromaticContact CZ-CD2 3.89Å; Y396-F400 WeakPolarHBondContact O-CD2 3.03Å; Y396-F400 PolarHBondContact O-N 3.24Å; F400-S403 PolarHBondContact O-OG 3.36Å; F400-S403 VanDerWaalsContact O-OG 3.1Å
401	N	62	Low	58.7	Low	37 Å²	37	80.7 Å²	80.7	20%	0.198	41%	0.405	C	S	.	.	S	Bend	trans	-85.2	-26.4	172.3	-76.8	-82.3	0	0	0	113.7	I397 S403 L404 K526	I397-N401 WeakPolarHBondContact O-CB 3.31Å; I397-N401 PolarHBondContact O-N 3.35Å; I397-N401 PolarHBondContact O-ND2 2.89Å; N401-S403 PolarHBondContact O-N 3.45Å; N401-L404 WeakPolarHBondContact O-CB 3.31Å; N401-L404 PolarHBondContact O-N 3.09Å; N401-K526 PolarHBondContact ND2-O 3.16Å; N401-K526 PolarHBondContact OD1-O 2.83Å
402	K	47.8	Very low	55.9	Low	135 Å²	135	88.2 Å²	88.2	59%	0.587	44%	0.443	S	S	*	.	H	α-helix	trans	-64.7	-23.8	-175.6	-69.8	-176.7	-173.6	167.4	0	113.9	D398 L404	D398-K402 WeakPolarHBondContact O-CD 3.36Å; D398-K402 VanDerWaalsContact O-CE 3.24Å; D398-K402 WeakPolarHBondContact O-CE 3.27Å; D398-K402 WeakPolarHBondContact O-CG 3.01Å; K402-L404 VanDerWaalsContact C-N 3.27Å; K402-L404 PolarHBondContact O-N 3.41Å
403	S	43.7	Very low	53	Low	74 Å²	74	95.2 Å²	95.2	52%	0.517	48%	0.478	S	S	.	.	H	α-helix	trans	-70.2	-21.8	173.3	50.6	0	0	0	0	113.3	F400 N401	F400-S403 PolarHBondContact O-OG 3.36Å; F400-S403 VanDerWaalsContact O-OG 3.1Å; N401-S403 PolarHBondContact O-N 3.45Å
404	L	39	Very low	50.4	Low	70 Å²	70	101.1 Å²	101.1	37%	0.366	51%	0.514	S	S	.	.	H	α-helix	trans	-78	-31.6	-173.5	-147.3	79.8	0	0	0	112.9	N401 K402 L407	N401-L404 WeakPolarHBondContact O-CB 3.31Å; N401-L404 PolarHBondContact O-N 3.09Å; K402-L404 VanDerWaalsContact C-N 3.27Å; K402-L404 PolarHBondContact O-N 3.41Å; L404-L407 PolarHBondContact O-N 2.84Å
405	D	36.2	Very low	47.7	Very low	99 Å²	99	103.2 Å²	103.2	53%	0.529	53%	0.529	S	S	.	.	H	α-helix	trans	-75	-28.7	-176.1	-63.2	-30.9	0	0	0	112.1	L407 V408 K526	D405-L407 PolarHBondContact O-N 3.31Å; D405-V408 PolarHBondContact O-N 2.84Å; D405-K526 IonicContact OD1-NZ 3.93Å
406	Y	34.1	Very low	45.2	Very low	191 Å²	191	104.4 Å²	104.4	75%	0.749	56%	0.555	S	S	*	*	H	α-helix	trans	-63.5	-27.3	170.7	-90.5	-84.9	0	0	0	113.3	V408	Y406-V408 VanDerWaalsContact C-N 3.31Å; Y406-V408 PolarHBondContact O-N 2.97Å
407	L	34.7	Very low	42.7	Very low	125 Å²	125	111.6 Å²	111.6	65%	0.654	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-2.6	-177.6	-121.6	160.4	0	0	0	113.4	L404 D405	L404-L407 PolarHBondContact O-N 2.84Å; D405-L407 PolarHBondContact O-N 3.31Å
408	V	36.3	Very low	40.2	Very low	117 Å²	117	118.2 Å²	118.2	71%	0.709	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-17.2	177.8	-179.3	0	0	0	0	112.3	D405 Y406 T410	D405-V408 PolarHBondContact O-N 2.84Å; Y406-V408 VanDerWaalsContact C-N 3.31Å; Y406-V408 PolarHBondContact O-N 2.97Å; V408-T410 VanDerWaalsContact C-N 3.34Å
409	Q	32.3	Very low	37.6	Very low	172 Å²	172	121.6 Å²	121.6	80%	0.804	64%	0.637	S	S	*	*	S	Bend	trans	-84.4	-2.6	178.4	-74.1	-171.1	-26.6	0	0	114.5
410	T	26.9	Very low	35.4	Very low	85 Å²	85	123.3 Å²	123.3	52%	0.521	65%	0.651	S	S	.	*	S	Bend	trans	-120.6	131.9	173.8	50.4	0	0	0	0	110.7	V408	V408-T410 VanDerWaalsContact C-N 3.34Å
411	N	26.5	Very low	33.6	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	68%	0.681	S	S	*	*			trans	72.5	85.4	-179.2	-42.3	-67	0	0	0	116.2
412	I	30.3	Very low	31.9	Very low	172 Å²	172	132.9 Å²	132.9	88%	0.882	71%	0.714	S	S	*	*				-144	103.2	116.1	-85.3	132	0	0	0	107.7
413	I	27.2	Very low	31.1	Very low	159 Å²	159	132.2 Å²	132.2	82%	0.815	72%	0.723	S	S	*	*			trans	-137.5	110.1	154.3	-61	177.4	0	0	0	105.3
414	V	31.9	Very low	30.4	Very low	134 Å²	134	132 Å²	132	81%	0.812	73%	0.733	S	S	*	*			trans	-162.6	141.1	153.1	147	0	0	0	0	106
415	N	26.3	Very low	29.8	Very low	158 Å²	158	134.5 Å²	134.5	85%	0.845	75%	0.751	S	S	*	*			trans	-89.8	157.8	-176.8	-51.9	-47.4	0	0	0	111.8
416	G	26.9	Very low	29.3	Very low	68 Å²	68	134.8 Å²	134.8	70%	0.701	76%	0.758	S	S	*	*			trans	147.1	108.1	147.7	0	0	0	0	0	119
417	I	31.3	Very low	28.9	Very low	156 Å²	156	130.2 Å²	130.2	80%	0.8	75%	0.75	S	S	*	*			trans	67.8	102.1	134.8	-55.1	171.6	0	0	0	118.4
418	E	28.1	Very low	28.4	Very low	163 Å²	163	134.1 Å²	134.1	76%	0.762	76%	0.757	S	S	*	*				42.2	144.9	118.9	-65.8	179.2	157.8	0	0	121.6
419	M	26.5	Very low	27.8	Very low	139 Å²	139	136.2 Å²	136.2	69%	0.685	76%	0.759	S	S	*	*			cis	-154.7	167.8	3.8	-118.1	-38.1	178.7	0	0	112
420	D	27.4	Very low	27.6	Very low	136 Å²	136	133.4 Å²	133.4	73%	0.727	75%	0.753	S	S	*	*			trans	47.5	106.4	153.6	-65.7	-37	0	0	0	123
421	S	30.3	Very low	27.6	Very low	123 Å²	123	138.1 Å²	138.1	86%	0.86	77%	0.767	S	S	*	*				-177.1	149.1	103	38	0	0	0	0	113.5
422	L	26.6	Very low	27.7	Very low	168 Å²	168	137.8 Å²	137.8	88%	0.88	77%	0.765	S	S	*	*			trans	-131.1	170.6	-174.8	-78.7	166.6	0	0	0	109.9
423	P	31.6	Very low	27.9	Very low	121 Å²	121	134 Å²	134	79%	0.786	75%	0.754	S	S	*	*			cis	-131.3	155.4	-33.7	35.1	-20.3	0	0	0	112.7
424	G	27.7	Very low	28.2	Very low	70 Å²	70	132.9 Å²	132.9	72%	0.722	75%	0.75	S	S	*	*	S	Bend	trans	177.3	105.4	169.2	0	0	0	0	0	116.6
425	V	27.6	Very low	28.5	Very low	123 Å²	123	130.7 Å²	130.7	75%	0.745	74%	0.736	S	S	*	*			trans	61.7	122.2	174.9	-172.7	0	0	0	0	114.8	V427	V425-V427 HydrophobicContact CB-CG2 4.45Å; V425-V427 HydrophobicContact CG1-CG2 4.04Å; V425-V427 PolarHBondContact O-N 2.76Å
426	P	25.1	Very low	28.9	Very low	104 Å²	104	132.7 Å²	132.7	68%	0.675	74%	0.737	S	S	*	*			trans	-72.8	80.2	166.6	32	-33.5	0	0	0	109.5	Y428	P426-Y428 HydrophobicContact CB-CE2 4.29Å; P426-Y428 WeakPolarHBondContact O-CD2 3.46Å; P426-Y428 PolarHBondContact O-N 3.31Å
427	V	25.5	Very low	29.4	Very low	96 Å²	96	133.3 Å²	133.3	58%	0.582	72%	0.724	S	S	*	*			trans	-65.6	102	164.4	179.9	0	0	0	0	106.3	V425 H429	V425-V427 HydrophobicContact CB-CG2 4.45Å; V425-V427 HydrophobicContact CG1-CG2 4.04Å; V425-V427 PolarHBondContact O-N 2.76Å; V427-H429 PolarHBondContact O-N 2.75Å
428	Y	25.1	Very low	29.7	Very low	207 Å²	207	128.6 Å²	128.6	81%	0.812	71%	0.705	S	S	*	*			trans	-68	71.6	169.6	-75.8	-84.3	0	0	0	109.8	P426 V430	P426-Y428 HydrophobicContact CB-CE2 4.29Å; P426-Y428 WeakPolarHBondContact O-CD2 3.46Å; P426-Y428 PolarHBondContact O-N 3.31Å; Y428-V430 PolarHBondContact O-N 3.14Å
429	H	23.3	Very low	30.3	Very low	161 Å²	161	126.2 Å²	126.2	75%	0.745	70%	0.702	S	S	*	*			trans	-64.5	82.2	155	-89.5	-60.1	0	0	0	107.6	V427 K431	V427-H429 PolarHBondContact O-N 2.75Å; H429-K431 PolarHBondContact O-N 3.42Å
430	V	27.3	Very low	31.1	Very low	113 Å²	113	127 Å²	127	69%	0.685	70%	0.704	S	S	*	*			trans	-56.9	92.6	152.8	-179.2	0	0	0	0	105.2	Y428 N432	Y428-V430 PolarHBondContact O-N 3.14Å; V430-N432 PolarHBondContact O-N 3.11Å
431	K	26.4	Very low	32.1	Very low	183 Å²	183	122 Å²	122	80%	0.796	68%	0.677	S	S	*	*			trans	-53.9	127.2	166.7	-76.5	-179.7	176.1	175.5	0	105.5	H429 S433	H429-K431 PolarHBondContact O-N 3.42Å; K431-S433 PolarHBondContact O-N 2.92Å
432	N	29.4	Very low	33.3	Very low	139 Å²	139	124.6 Å²	124.6	74%	0.743	67%	0.668	S	S	*	*			trans	-62.3	90.5	172.1	-76.8	-6.7	0	0	0	108.3	V430 N434	V430-N432 PolarHBondContact O-N 3.11Å; N432-N434 PolarHBondContact O-N 2.97Å
433	S	34.3	Very low	35.4	Very low	93 Å²	93	120.8 Å²	120.8	65%	0.65	64%	0.642	S	S	*	*			trans	-61	98.8	154.7	40.9	0	0	0	0	105.5	K431 V435	K431-S433 PolarHBondContact O-N 2.92Å; S433-V435 PolarHBondContact O-N 2.89Å
434	N	33.7	Very low	37.8	Very low	136 Å²	136	115.6 Å²	115.6	73%	0.727	61%	0.608	S	S	*	*			trans	-67.8	71.6	166.9	-74	-33.3	0	0	0	107.6	N432 K436	N432-N434 PolarHBondContact O-N 2.97Å; N434-K436 VanDerWaalsContact C-N 3.29Å; N434-K436 PolarHBondContact O-N 3.35Å
435	V	38.6	Very low	40.5	Very low	88 Å²	88	114.8 Å²	114.8	53%	0.533	58%	0.584	S	S	.	*			trans	-62.9	99.1	169.4	-174.4	0	0	0	0	105.2	S433 L437	S433-V435 PolarHBondContact O-N 2.89Å; V435-L437 HydrophobicContact CB-CD1 4.26Å; V435-L437 HydrophobicContact CG1-CD1 3.92Å; V435-L437 PolarHBondContact O-N 3.44Å
436	K	34	Very low	43.4	Very low	200 Å²	200	109.4 Å²	109.4	87%	0.87	55%	0.551	S	S	*	*			trans	-67.8	90.5	163.3	-72.4	-176.8	177.3	-179.8	0	106	N434	N434-K436 VanDerWaalsContact C-N 3.29Å; N434-K436 PolarHBondContact O-N 3.35Å
437	L	37.7	Very low	46.5	Very low	81 Å²	81	104.4 Å²	104.4	42%	0.424	52%	0.519	S	S	.	.			trans	-48.1	148.4	162.2	-91	81.3	0	0	0	108.7	V435 D441	V435-L437 HydrophobicContact CB-CD1 4.26Å; V435-L437 HydrophobicContact CG1-CD1 3.92Å; V435-L437 PolarHBondContact O-N 3.44Å; L437-D441 HydrophobicContact CB-CB 4.28Å; L437-D441 WeakPolarHBondContact CB-OD2 3.49Å; L437-D441 HydrophobicContact CD2-CB 4.31Å
438	S	37.2	Very low	49.5	Very low	56 Å²	56	100.9 Å²	100.9	39%	0.392	50%	0.496	S	S	.	.			trans	-70.4	167.6	-166.1	103.8	0	0	0	0	110.3	E440 D441	S438-E440 PolarHBondContact O-N 3.49Å; S438-E440 WeakPolarHBondContact OG-CB 3.48Å; S438-E440 WeakPolarHBondContact OG-CG 3.32Å; S438-E440 PolarHBondContact OG-N 3.05Å; S438-E440 PolarHBondContact OG-OE2 2.93Å; S438-D441 PolarHBondContact N-OD2 3.39Å; S438-D441 PolarHBondContact O-N 3.14Å
439	T	42.1	Very low	52.4	Low	114 Å²	114	91.2 Å²	91.2	70%	0.699	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.1	174.8	33.9	0	0	0	0	114.1	R442	T439-R442 WeakPolarHBondContact O-CD 3.41Å; T439-R442 WeakPolarHBondContact O-CG 3.5Å
440	E	41.7	Very low	54.8	Low	156 Å²	156	85.1 Å²	85.1	73%	0.729	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17	179.7	-56.8	174.5	133.6	0	0	113.4	S438 R442	S438-E440 PolarHBondContact O-N 3.49Å; S438-E440 WeakPolarHBondContact OG-CB 3.48Å; S438-E440 WeakPolarHBondContact OG-CG 3.32Å; S438-E440 PolarHBondContact OG-N 3.05Å; S438-E440 PolarHBondContact OG-OE2 2.93Å; E440-R442 PolarHBondContact O-N 3.35Å
441	D	50	Low	56.7	Low	31 Å²	31	82.9 Å²	82.9	17%	0.166	41%	0.414	C	S	.	.			trans	-70.7	7.7	-179.4	-73.1	-69.2	0	0	0	114.2	L437 S438 R443	L437-D441 HydrophobicContact CB-CB 4.28Å; L437-D441 WeakPolarHBondContact CB-OD2 3.49Å; L437-D441 HydrophobicContact CD2-CB 4.31Å; S438-D441 PolarHBondContact N-OD2 3.39Å; S438-D441 PolarHBondContact O-N 3.14Å; D441-R443 PolarHBondContact O-N 2.93Å
442	R	53.9	Low	58.1	Low	176 Å²	176	76.5 Å²	76.5	66%	0.664	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	23.4	-178	-69.3	-178.3	170.6	-166.6	-0.2	115.3	T439 E440	T439-R442 WeakPolarHBondContact O-CD 3.41Å; T439-R442 WeakPolarHBondContact O-CG 3.5Å; E440-R442 PolarHBondContact O-N 3.35Å
443	R	70.5	Confident	59.4	Low	89 Å²	89	76.1 Å²	76.1	34%	0.336	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-16.7	179.8	-62.6	-169.5	-172.1	-143.6	-1.9	114.2	E367 D441 G543 V544 R545	E367-R443 IonicContact OE2-NH1 2.74Å; D441-R443 PolarHBondContact O-N 2.93Å; R443-G543 CarbonylContact O-C 3.59Å; R443-G543 WeakPolarHBondContact O-CA 3.44Å; R443-V544 PolarHBondContact O-N 3Å; R443-R545 PolarHBondContact NH1-O 3.4Å
444	L	82	Confident	59.9	Low	12 Å²	12	78.5 Å²	78.5	6%	0.063	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.2	-178.5	-157.6	76.3	0	0	0	111.3	L392 P393 W395 Y396 Y524 I529 L541 I542	L392-L444 HydrophobicContact CD2-CD2 3.66Å; P393-L444 HydrophobicContact CG-CD1 4.46Å; W395-L444 HydrophobicContact CH2-CD1 4.09Å; W395-L444 HydrophobicContact CZ2-CD1 4.14Å; Y396-L444 HydrophobicContact CD2-CD1 4.13Å; Y396-L444 HydrophobicContact CE2-CB 4.08Å; Y396-L444 HydrophobicContact CE2-CD1 4.5Å; Y396-L444 HydrophobicContact CE2-CD2 4.48Å; L444-Y524 HydrophobicContact CD2-CE1 4.17Å; L444-I529 HydrophobicContact CD2-CD1 4.19Å; L444-L541 HydrophobicContact CD1-CB 4.24Å; L444-L541 HydrophobicContact CD2-CB 4.27Å; L444-L541 HydrophobicContact CD2-CD1 4.38Å; L444-L541 HydrophobicContact CG-CB 4.24Å; L444-I542 WeakPolarHBondContact CA-O 3.5Å
445	F	85.7	Confident	60.7	Low	52 Å²	52	73.7 Å²	73.7	23%	0.228	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.1	179.2	-69.4	-100.7	0	0	0	110.7	T517 L541 I542 V544 L555	F445-T517 HydrophobicContact CD1-CG2 4.17Å; F445-L541 CarbonylContact O-C 3.49Å; F445-L541 WeakPolarHBondContact O-CA 3.5Å; F445-I542 PolarHBondContact N-O 3.25Å; F445-I542 PolarHBondContact O-N 2.85Å; F445-V544 HydrophobicContact CD2-CB 4.39Å; F445-V544 HydrophobicContact CD2-CG2 3.64Å; F445-V544 HydrophobicContact CE2-CB 4.17Å; F445-V544 HydrophobicContact CE2-CG2 3.81Å; F445-L555 HydrophobicContact CD1-CD1 4.12Å; F445-L555 HydrophobicContact CD2-CD1 4.2Å; F445-L555 HydrophobicContact CE1-CD1 4.28Å; F445-L555 HydrophobicContact CE2-CD1 4.36Å; F445-L555 HydrophobicContact CG-CD1 4.09Å; F445-L555 HydrophobicContact CZ-CD1 4.39Å
446	L	88.7	Confident	60.8	Low	10 Å²	10	74 Å²	74	5%	0.052	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	113.5	169.9	175.6	63	0	0	0	109.2	L390 M518 F531 F539 L541	L390-L446 HydrophobicContact CD1-CD1 4.32Å; L446-M518 HydrophobicContact CB-CB 4.44Å; L446-M518 HydrophobicContact CD2-CB 4.09Å; L446-M518 HydrophobicContact CD2-CG 4.37Å; L446-M518 HydrophobicContact CD2-SD 3.7Å; L446-M518 HydrophobicContact CG-CB 4Å; L446-M518 HydrophobicContact CG-SD 4.26Å; L446-M518 WeakPolarHBondContact O-CB 3.37Å; L446-M518 PolarHBondContact O-N 3.32Å; L446-F531 HydrophobicContact CD1-CE1 4.16Å; L446-F531 HydrophobicContact CD1-CZ 4.31Å; L446-F531 HydrophobicContact CD2-CD1 3.61Å; L446-F531 HydrophobicContact CD2-CD2 4Å; L446-F531 HydrophobicContact CD2-CE1 3.67Å; L446-F531 HydrophobicContact CD2-CE2 4.05Å; L446-F531 HydrophobicContact CD2-CG 3.79Å; L446-F531 HydrophobicContact CD2-CZ 3.9Å; L446-F539 HydrophobicContact CD1-CB 4.31Å; L446-F539 HydrophobicContact CD1-CD1 4.35Å; L446-L541 HydrophobicContact CB-CD2 4.26Å; L446-L541 HydrophobicContact CD1-CD2 3.76Å
447	L	89.4	Confident	61.2	Low	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	145.6	168.8	-55.2	-168.2	0	0	0	110.6	W515 K516 T517 F539 V540 I542 E556 M559	L447-W515 HydrophobicContact CB-CE3 3.85Å; L447-W515 HydrophobicContact CB-CZ3 4.46Å; L447-W515 HydrophobicContact CD1-CB 4.39Å; L447-K516 WeakPolarHBondContact CA-O 3.08Å; L447-T517 HydrophobicContact CD2-CG2 4.19Å; L447-T517 WeakPolarHBondContact CD2-OG1 3.5Å; L447-F539 WeakPolarHBondContact O-CA 3.47Å; L447-V540 HydrophobicContact CB-CG1 3.88Å; L447-V540 PolarHBondContact N-O 2.85Å; L447-V540 PolarHBondContact O-N 3.32Å; L447-I542 HydrophobicContact CD1-CD1 3.5Å; L447-I542 HydrophobicContact CD1-CG1 4.43Å; L447-I542 HydrophobicContact CG-CD1 4.12Å; L447-E556 HydrophobicContact CD2-CG 4.42Å; L447-M559 HydrophobicContact CD1-CB 3.6Å; L447-M559 HydrophobicContact CD1-CG 3.93Å
448	F	88.6	Confident	61.1	Low	22 Å²	22	64.1 Å²	64.1	10%	0.096	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.4	-178.7	159.3	-106.1	0	0	0	110.5	P450 W515 K516 M518 I535 R538 F539	F448-P450 HydrophobicContact CE1-CB 4.11Å; F448-P450 HydrophobicContact CE1-CG 4.13Å; F448-P450 HydrophobicContact CZ-CB 3.69Å; F448-P450 HydrophobicContact CZ-CG 4.2Å; F448-W515 CarbonylContact O-C 3.56Å; F448-K516 PolarHBondContact N-O 2.78Å; F448-K516 PolarHBondContact O-N 3.5Å; F448-M518 HydrophobicContact CB-CB 4.35Å; F448-M518 HydrophobicContact CB-CE 4.43Å; F448-M518 HydrophobicContact CB-CG 4.47Å; F448-M518 HydrophobicContact CB-SD 4.15Å; F448-M518 HydrophobicContact CG-CE 4.28Å; F448-I535 HydrophobicContact CE2-CG2 4.28Å; F448-I535 HydrophobicContact CZ-CB 4Å; F448-I535 HydrophobicContact CZ-CG2 3.7Å; F448-R538 CarbonylContact C-O 3.59Å; F448-R538 VanDerWaalsContact CA-O 3.29Å; F448-R538 WeakPolarHBondContact CA-O 3.39Å; F448-F539 HydrophobicContact CB-CD1 4.11Å; F448-F539 HydrophobicContact CB-CE1 4.16Å; F448-F539 AromaticContact CD2-CD1 3.9Å; F448-F539 HydrophobicContact CD2-CD1 3.9Å; F448-F539 AromaticContact CD2-CE1 3.37Å; F448-F539 HydrophobicContact CD2-CE1 3.37Å; F448-F539 AromaticContact CD2-CZ 3.76Å; F448-F539 HydrophobicContact CD2-CZ 3.76Å; F448-F539 HydrophobicContact CE2-CE1 4.12Å; F448-F539 HydrophobicContact CE2-CZ 4.07Å; F448-F539 HydrophobicContact CG-CD1 4.46Å; F448-F539 HydrophobicContact CG-CE1 4.09Å
449	Q	85.2	Confident	61	Low	4 Å²	4	65.7 Å²	65.7	2%	0.019	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.5	172	-177.7	-165	70.7	0	0	108.2	G513 W515 R538	Q449-G513 PolarHBondContact NE2-O 2.67Å; Q449-W515 HydrophobicContact CB-CD2 3.92Å; Q449-W515 HydrophobicContact CB-CE3 3.73Å; Q449-W515 HydrophobicContact CB-CH2 4.31Å; Q449-W515 HydrophobicContact CB-CZ2 4.48Å; Q449-W515 HydrophobicContact CB-CZ3 3.93Å; Q449-R538 HydrophobicContact CB-CB 4.31Å; Q449-R538 PolarHBondContact N-O 2.67Å; Q449-R538 PolarHBondContact O-N 3.48Å
450	P	74.3	Confident	60.6	Low	33 Å²	33	63.5 Å²	63.5	21%	0.214	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	158.8	179.4	18.2	-21.6	0	0	0	112.4	F448 Y453	F448-P450 HydrophobicContact CE1-CB 4.11Å; F448-P450 HydrophobicContact CE1-CG 4.13Å; F448-P450 HydrophobicContact CZ-CB 3.69Å; F448-P450 HydrophobicContact CZ-CG 4.2Å; P450-Y453 HydrophobicContact CG-CE2 4.19Å
451	F	67.3	Low	60.1	Low	65 Å²	65	58.4 Å²	58.4	29%	0.285	28%	0.28	S	S	.	.	S	Bend	trans	-72.2	175.8	176.7	-153.3	-110.9	0	0	0	112.3	Q376 L377	Q376-F451 HydrophobicContact CB-CE1 4.42Å; Q376-F451 HydrophobicContact CB-CE2 3.72Å; Q376-F451 HydrophobicContact CB-CZ 3.66Å; Q376-F451 HydrophobicContact CG-CE2 3.63Å; Q376-F451 HydrophobicContact CG-CZ 3.91Å; L377-F451 VanDerWaalsContact O-CD1 3.23Å; L377-F451 WeakPolarHBondContact O-CD1 3.24Å
452	G	56.1	Low	59.4	Low	50 Å²	50	58.3 Å²	58.3	52%	0.515	28%	0.283	S	S	.	.			trans	92.6	-10.7	177	0	0	0	0	0	116.2	I454	G452-I454 PolarHBondContact O-N 3.28Å
453	Y	55.8	Low	58.4	Low	131 Å²	131	57.9 Å²	57.9	51%	0.514	29%	0.286	S	S	.	.			trans	-83.6	106.9	174.1	-65.7	-91	0	0	0	111.3	P450 K455 G513	P450-Y453 HydrophobicContact CG-CE2 4.19Å; Y453-K455 PolarHBondContact O-N 2.68Å; Y453-K455 VanDerWaalsContact O-N 3.12Å; Y453-G513 VanDerWaalsContact CD1-CA 3.45Å
454	I	45.3	Very low	56.8	Low	142 Å²	142	57.2 Å²	57.2	73%	0.728	29%	0.292	S	S	*	.			trans	-65.6	110.2	172	-57.7	175.9	0	0	0	108.7	G452 Q456	G452-I454 PolarHBondContact O-N 3.28Å; I454-Q456 HydrophobicContact CG2-CG 4.3Å; I454-Q456 PolarHBondContact O-N 2.93Å
455	K	50	Low	54.3	Low	35 Å²	35	65.5 Å²	65.5	15%	0.152	33%	0.327	C	S	.	.			trans	-70.6	90.5	174.4	-62.7	-171.1	-167.8	-177.7	0	111.1	P86 Y453 I510 R511 E563 Y567	P86-K455 HydrophobicContact CG-CB 3.77Å; P86-K455 HydrophobicContact CG-CD 4.06Å; Y453-K455 PolarHBondContact O-N 2.68Å; Y453-K455 VanDerWaalsContact O-N 3.12Å; K455-I510 HydrophobicContact CB-CG2 4.05Å; K455-I510 HydrophobicContact CD-CG2 4.24Å; K455-I510 HydrophobicContact CG-CG2 4.25Å; K455-R511 WeakPolarHBondContact CA-O 3.12Å; K455-E563 IonicContact NZ-OE1 3.67Å; K455-E563 PolarHBondContact NZ-OE1 3.34Å; K455-Y567 PolarHBondContact NZ-OH 2.91Å
456	Q	41.6	Very low	51.8	Low	94 Å²	94	72.1 Å²	72.1	44%	0.439	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.8	160.7	-73.9	-178.1	-52	0	0	109.7	I454 V458 R511	I454-Q456 HydrophobicContact CG2-CG 4.3Å; I454-Q456 PolarHBondContact O-N 2.93Å; Q456-V458 HydrophobicContact CB-CG2 3.72Å; Q456-V458 PolarHBondContact O-N 3.47Å; Q456-R511 PolarHBondContact O-N 2.72Å
457	I	42.5	Very low	49.2	Very low	61 Å²	61	76.2 Å²	76.2	31%	0.313	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	114.2	152.1	-62.2	174.5	0	0	0	105.3	W459 V508	I457-W459 HydrophobicContact CG2-CH2 4.41Å; I457-W459 HydrophobicContact CG2-CZ2 3.85Å; I457-V508 HydrophobicContact CG2-CG1 4.04Å
458	V	36.2	Very low	46.6	Very low	14 Å²	14	81 Å²	81	9%	0.085	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.6	-178	171.9	0	0	0	0	109.9	Q456 Q460 L507 G509 R511 V966	Q456-V458 HydrophobicContact CB-CG2 3.72Å; Q456-V458 PolarHBondContact O-N 3.47Å; V458-Q460 HydrophobicContact CG1-CB 4.47Å; V458-L507 VanDerWaalsContact O-O 3.1Å; V458-G509 PolarHBondContact N-O 2.85Å; V458-G509 PolarHBondContact O-N 3.05Å; V458-R511 HydrophobicContact CB-CG 4.01Å; V458-R511 HydrophobicContact CG2-CB 3.96Å; V458-R511 HydrophobicContact CG2-CG 3.61Å; V458-V966 HydrophobicContact CG1-CG2 4.07Å
459	W	34.5	Very low	43.9	Very low	88 Å²	88	87.7 Å²	87.7	33%	0.333	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.6	168.3	-44.6	94.7	0	0	0	108.3	I457 L506 V508 E733 L734	I457-W459 HydrophobicContact CG2-CH2 4.41Å; I457-W459 HydrophobicContact CG2-CZ2 3.85Å; W459-L506 HydrophobicContact CB-CD2 4Å; W459-V508 HydrophobicContact CD2-CG2 4.34Å; W459-V508 HydrophobicContact CE3-CG2 3.42Å; W459-V508 VanDerWaalsContact CE3-CG2 3.42Å; W459-V508 HydrophobicContact CH2-CG2 3.78Å; W459-V508 HydrophobicContact CZ3-CG2 3.09Å; W459-E733 HydrophobicContact CH2-CB 3.68Å; W459-E733 HydrophobicContact CH2-CG 3.72Å; W459-E733 WeakPolarHBondContact CH2-OE2 3.41Å; W459-E733 HydrophobicContact CZ3-CB 3.96Å; W459-E733 HydrophobicContact CZ3-CG 4.49Å; W459-L734 HydrophobicContact CB-CD1 4.41Å; W459-L734 HydrophobicContact CD2-CD1 3.86Å; W459-L734 HydrophobicContact CD2-CD2 4.09Å; W459-L734 HydrophobicContact CD2-CG 3.97Å; W459-L734 HydrophobicContact CE3-CD1 3.49Å; W459-L734 VanDerWaalsContact CE3-CD1 3.49Å; W459-L734 HydrophobicContact CE3-CD2 4.12Å; W459-L734 HydrophobicContact CE3-CG 3.51Å; W459-L734 HydrophobicContact CG-CD1 4.25Å; W459-L734 HydrophobicContact CH2-CD2 4.25Å; W459-L734 HydrophobicContact CH2-CG 4.06Å; W459-L734 HydrophobicContact CZ2-CD2 4.24Å; W459-L734 HydrophobicContact CZ2-CG 4.48Å; W459-L734 HydrophobicContact CZ3-CD1 4.06Å; W459-L734 HydrophobicContact CZ3-CD2 4.19Å; W459-L734 HydrophobicContact CZ3-CG 3.56Å
460	Q	34.1	Very low	41.7	Very low	68 Å²	68	92.9 Å²	92.9	32%	0.318	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116.5	173.4	-171.7	165.9	-34.5	0	0	109.3	V458 A462 L507 V966	V458-Q460 HydrophobicContact CG1-CB 4.47Å; Q460-A462 PolarHBondContact O-N 2.85Å; Q460-A462 VanDerWaalsContact O-N 3.17Å; Q460-L507 PolarHBondContact N-O 2.87Å; Q460-L507 PolarHBondContact O-N 2.92Å; Q460-V966 HydrophobicContact CB-CG1 4.47Å; Q460-V966 HydrophobicContact CB-CG2 4.45Å
461	S	31.5	Very low	39.9	Very low	50 Å²	50	97.1 Å²	97.1	35%	0.35	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	120.9	161.9	167.2	0	0	0	0	107.4	K463 G502	S461-K463 PolarHBondContact O-N 2.7Å; S461-K463 VanDerWaalsContact O-N 3.1Å; S461-G502 PolarHBondContact OG-O 2.74Å
462	A	34.7	Very low	38.6	Very low	29 Å²	29	98.9 Å²	98.9	24%	0.24	49%	0.489	C	S	.	.			trans	-61.2	117.3	177.9	0	0	0	0	0	108	Q460 V464 Y505 L507	Q460-A462 PolarHBondContact O-N 2.85Å; Q460-A462 VanDerWaalsContact O-N 3.17Å; A462-V464 PolarHBondContact O-N 2.94Å; A462-Y505 WeakPolarHBondContact CB-O 3.28Å; A462-Y505 PolarHBondContact N-O 3.03Å; A462-L507 HydrophobicContact CB-CD1 4.12Å; A462-L507 HydrophobicContact CB-CG 4.25Å
463	K	33.6	Very low	37.5	Very low	166 Å²	166	103.6 Å²	103.6	72%	0.722	50%	0.496	S	S	*	.			trans	-70.5	100.3	171.9	-69.4	-161.3	169.4	-150.1	0	107.5	S461 K465	S461-K463 PolarHBondContact O-N 2.7Å; S461-K463 VanDerWaalsContact O-N 3.1Å; K463-K465 HydrophobicContact CB-CG 4.28Å; K463-K465 PolarHBondContact O-N 2.81Å
464	V	35.1	Very low	36.7	Very low	76 Å²	76	103.1 Å²	103.1	46%	0.461	50%	0.497	S	S	.	.			trans	-65.4	84.8	169	-173.8	0	0	0	0	107.6	A462 E466 I467 Y505	A462-V464 PolarHBondContact O-N 2.94Å; V464-E466 PolarHBondContact O-N 2.65Å; V464-I467 HydrophobicContact CB-CD1 4.38Å; V464-I467 HydrophobicContact CG1-CD1 3.74Å; V464-I467 HydrophobicContact CG1-CG1 3.78Å; V464-Y505 HydrophobicContact CG2-CD2 4.1Å; V464-Y505 HydrophobicContact CG2-CE2 4.26Å
465	K	30.8	Very low	36.2	Very low	186 Å²	186	102.2 Å²	102.2	81%	0.809	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	35	-168.7	-109.9	-164.3	171.8	-156.4	0	113	K463	K463-K465 HydrophobicContact CB-CG 4.28Å; K463-K465 PolarHBondContact O-N 2.81Å
466	E	33.3	Very low	35.4	Very low	191 Å²	191	108.7 Å²	108.7	89%	0.893	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.6	6.2	174.3	-115	150.1	-126.3	0	0	114.5	V464	V464-E466 PolarHBondContact O-N 2.65Å
467	I	33.9	Very low	35	Very low	95 Å²	95	110.9 Å²	110.9	49%	0.487	54%	0.54	S	S	.	.	S	Bend	trans	-82.5	118	160	-64.7	172.1	0	0	0	107.4	V464 E469 I472	V464-I467 HydrophobicContact CB-CD1 4.38Å; V464-I467 HydrophobicContact CG1-CD1 3.74Å; V464-I467 HydrophobicContact CG1-CG1 3.78Å; I467-E469 PolarHBondContact O-N 2.84Å; I467-I472 HydrophobicContact CG2-CD1 4Å; I467-I472 HydrophobicContact CG2-CG1 4.3Å
468	N	33.6	Very low	34.4	Very low	102 Å²	102	117.4 Å²	117.4	55%	0.545	57%	0.567	S	S	.	*			trans	-72.3	119.9	-175.8	-159.7	1.9	0	0	0	109.7	E470 E471	N468-E470 PolarHBondContact O-N 2.85Å; N468-E471 PolarHBondContact O-N 3.25Å
469	E	32.5	Very low	34.2	Very low	161 Å²	161	125.2 Å²	125.2	75%	0.752	60%	0.602	S	S	*	*	H	α-helix	trans	-59.9	-21	-168.2	-65.8	-174.7	168.3	0	0	113.2	I467	I467-E469 PolarHBondContact O-N 2.84Å
470	E	38.9	Very low	33.9	Very low	114 Å²	114	129.3 Å²	129.3	53%	0.533	63%	0.63	S	S	.	*	H	α-helix	trans	-66.1	-30.4	174.4	-64.9	-164.9	178.5	0	0	115.1	N468 F473 K474	N468-E470 PolarHBondContact O-N 2.85Å; E470-F473 PolarHBondContact O-N 2.94Å; E470-K474 WeakPolarHBondContact O-CG 2.97Å; E470-K474 PolarHBondContact O-N 2.97Å; E470-K474 VanDerWaalsContact O-N 3.14Å; E470-K474 IonicContact OE2-NZ 3.18Å; E470-K474 PolarHBondContact OE2-NZ 3.08Å
471	E	37.8	Very low	33.6	Very low	121 Å²	121	131.6 Å²	131.6	57%	0.565	65%	0.649	S	S	*	*	H	α-helix	trans	-71	-40.7	-173.5	-65.4	-167.3	137.5	0	0	111.6	N468 F473 K474 T475	N468-E471 PolarHBondContact O-N 3.25Å; E471-F473 PolarHBondContact O-N 3Å; E471-K474 PolarHBondContact O-N 2.96Å; E471-T475 PolarHBondContact O-N 2.94Å; E471-T475 PolarHBondContact O-OG1 3.04Å; E471-T475 VanDerWaalsContact O-OG1 3.09Å
472	I	38.2	Very low	33.4	Very low	102 Å²	102	137 Å²	137	52%	0.523	67%	0.673	S	S	.	*	H	α-helix	trans	-62	-26	176.9	-60.2	176.4	0	0	0	111.6	I467	I467-I472 HydrophobicContact CG2-CD1 4Å; I467-I472 HydrophobicContact CG2-CG1 4.3Å
473	F	34.6	Very low	33	Very low	150 Å²	150	141.5 Å²	141.5	66%	0.658	70%	0.702	S	S	*	*	H	α-helix	trans	-84.9	-29.6	173.7	-84.1	-80.8	0	0	0	113.6	E470 E471 K476	E470-F473 PolarHBondContact O-N 2.94Å; E471-F473 PolarHBondContact O-N 3Å; F473-K476 PolarHBondContact O-N 3.09Å
474	K	37.1	Very low	32.6	Very low	121 Å²	121	142.5 Å²	142.5	53%	0.526	71%	0.712	S	S	.	*	H	α-helix	trans	-67.4	-33.9	177.5	-73.6	164.8	-171	161.7	0	112.1	E470 E471 K476 L477	E470-K474 WeakPolarHBondContact O-CG 2.97Å; E470-K474 PolarHBondContact O-N 2.97Å; E470-K474 VanDerWaalsContact O-N 3.14Å; E470-K474 IonicContact OE2-NZ 3.18Å; E470-K474 PolarHBondContact OE2-NZ 3.08Å; E471-K474 PolarHBondContact O-N 2.96Å; K474-K476 PolarHBondContact O-N 2.82Å; K474-K476 VanDerWaalsContact O-N 3.12Å; K474-L477 PolarHBondContact O-N 2.9Å
475	T	35.2	Very low	32.2	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-5.9	178.3	-14.3	0	0	0	0	114.8	E471	E471-T475 PolarHBondContact O-N 2.94Å; E471-T475 PolarHBondContact O-OG1 3.04Å; E471-T475 VanDerWaalsContact O-OG1 3.09Å
476	K	33.6	Very low	32.1	Very low	172 Å²	172	142.8 Å²	142.8	75%	0.748	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	6.6	179.2	-77.8	-176.4	175	174.6	0	115.1	F473 K474	F473-K476 PolarHBondContact O-N 3.09Å; K474-K476 PolarHBondContact O-N 2.82Å; K474-K476 VanDerWaalsContact O-N 3.12Å
477	L	32.5	Very low	31.7	Very low	140 Å²	140	142.2 Å²	142.2	73%	0.733	71%	0.714	S	S	*	*	S	Bend	trans	-111.2	5.4	-175.4	-81.2	163.8	0	0	0	115	K474	K474-L477 PolarHBondContact O-N 2.9Å
478	F	31.2	Very low	31.3	Very low	198 Å²	198	142.6 Å²	142.6	87%	0.868	73%	0.725	S	S	*	*	S	Bend	trans	-128	41.2	-177.7	-83.9	-76.1	0	0	0	114.2
479	E	32.1	Very low	30.9	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	74%	0.742	S	S	*	*			trans	-140.9	60.5	167.8	-141	166	-135.2	0	0	112.3	V481	E479-V481 VanDerWaalsContact C-N 3.31Å; E479-V481 HydrophobicContact CG-CG2 4.49Å; E479-V481 PolarHBondContact O-N 3.47Å
480	N	27.1	Very low	30.6	Very low	174 Å²	174	144.4 Å²	144.4	93%	0.93	74%	0.738	S	S	*	*			trans	-72	86.9	162	-88.6	-11.1	0	0	0	109.2
481	V	29.1	Very low	30	Very low	116 Å²	116	148.4 Å²	148.4	70%	0.703	75%	0.754	S	S	*	*			trans	-130	110.2	165.9	-177.1	0	0	0	0	109	E479 C483	E479-V481 VanDerWaalsContact C-N 3.31Å; E479-V481 HydrophobicContact CG-CG2 4.49Å; E479-V481 PolarHBondContact O-N 3.47Å; V481-C483 PolarHBondContact O-N 3.11Å
482	D	26.1	Very low	29.4	Very low	163 Å²	163	147.1 Å²	147.1	87%	0.872	76%	0.758	S	S	*	*			trans	-63.3	117.2	174.9	-73.7	-66.7	0	0	0	111.1
483	C	26.5	Very low	29	Very low	124 Å²	124	149.2 Å²	149.2	84%	0.838	76%	0.763	S	S	*	*			trans	-146.7	78.1	165.8	-132	0	0	0	0	111.9	V481 E485	V481-C483 PolarHBondContact O-N 3.11Å; C483-E485 PolarHBondContact O-N 2.81Å; C483-E485 VanDerWaalsContact O-N 3.17Å
484	M	26.3	Very low	28.8	Very low	188 Å²	188	146.9 Å²	146.9	93%	0.926	76%	0.756	S	S	*	*			trans	-72.1	93.8	166.4	-81.4	-98.3	-83.7	0	0	110.4
485	E	26.3	Very low	28.4	Very low	187 Å²	187	145.5 Å²	145.5	87%	0.874	75%	0.754	S	S	*	*			trans	-153.5	150.3	147.1	-125.6	180	-153.5	0	0	115.3	C483	C483-E485 PolarHBondContact O-N 2.81Å; C483-E485 VanDerWaalsContact O-N 3.17Å
486	S	28	Very low	28.2	Very low	80 Å²	80	144.5 Å²	144.5	56%	0.559	75%	0.745	S	S	*	*			trans	-99.5	135.3	-173.8	66.3	0	0	0	0	112.4
487	K	25.7	Very low	28	Very low	180 Å²	180	140.6 Å²	140.6	78%	0.783	73%	0.732	S	S	*	*				165.5	157.9	124.5	-85.3	144.3	-153.8	152.8	0	112.5
488	S	25.6	Very low	27.9	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	71%	0.71	S	S	*	*			trans	54.2	69.6	163.1	56.8	0	0	0	0	119.1	S490	S488-S490 PolarHBondContact O-N 3.07Å; S488-S490 VanDerWaalsContact O-N 3.11Å
489	F	24.7	Very low	28.2	Very low	204 Å²	204	133.6 Å²	133.6	90%	0.895	70%	0.7	S	S	*	*			trans	-80.5	69.6	153	-77.8	-69.7	0	0	0	111.5
490	S	25.5	Very low	28.3	Very low	97 Å²	97	133.1 Å²	133.1	68%	0.678	70%	0.697	S	S	*	*			trans	-89.4	127	161.3	57	0	0	0	0	109.1	S488	S488-S490 PolarHBondContact O-N 3.07Å; S488-S490 VanDerWaalsContact O-N 3.11Å
491	K	27.2	Very low	28.6	Very low	197 Å²	197	129 Å²	129	86%	0.857	68%	0.675	S	S	*	*			trans	72.2	84.1	-168.4	-50.1	177.9	-179.3	-177.9	0	113.9	K493	K491-K493 PolarHBondContact O-N 2.93Å
492	C	25.3	Very low	28.7	Very low	95 Å²	95	125 Å²	125	64%	0.642	66%	0.657	S	S	*	*			trans	-58.4	125	139.7	-71.3	0	0	0	0	107.2	I494	C492-I494 PolarHBondContact O-N 3.42Å
493	K	29.8	Very low	29	Very low	146 Å²	146	122.6 Å²	122.6	64%	0.635	64%	0.636	S	S	*	*			trans	-62.3	133.4	161.6	-78.3	-172.3	170.1	-167.1	0	107.9	K491 D495 N496	K491-K493 PolarHBondContact O-N 2.93Å; K493-D495 PolarHBondContact O-N 3.1Å; K493-N496 PolarHBondContact O-N 3.29Å; K493-N496 VanDerWaalsContact O-N 3.13Å
494	I	30.4	Very low	29.3	Very low	100 Å²	100	119.6 Å²	119.6	51%	0.513	62%	0.616	S	S	.	*	H	α-helix	trans	-59.3	-36	-175.9	-70.4	173.3	0	0	0	110.5	C492 N496 L497 F498 M735	C492-I494 PolarHBondContact O-N 3.42Å; I494-N496 VanDerWaalsContact C-N 3.27Å; I494-N496 PolarHBondContact O-N 3.41Å; I494-L497 WeakPolarHBondContact O-CA 3.47Å; I494-L497 VanDerWaalsContact O-CB 3.3Å; I494-L497 WeakPolarHBondContact O-CB 3.49Å; I494-L497 PolarHBondContact O-N 2.99Å; I494-F498 HydrophobicContact CG2-CD2 3.85Å; I494-F498 HydrophobicContact CG2-CE2 3.51Å; I494-F498 HydrophobicContact CG2-CZ 4.45Å; I494-F498 PolarHBondContact O-N 2.96Å; I494-M735 HydrophobicContact CG2-CE 4.3Å
495	D	28.1	Very low	29.9	Very low	92 Å²	92	114.8 Å²	114.8	49%	0.492	59%	0.588	S	S	.	*	H	α-helix	trans	-45.4	-44.5	173.2	-27.9	-35.8	0	0	0	113.2	K493 L497 F498 I499	K493-D495 PolarHBondContact O-N 3.1Å; D495-L497 VanDerWaalsContact C-N 3.31Å; D495-L497 PolarHBondContact O-N 3.35Å; D495-F498 PolarHBondContact O-N 3.1Å; D495-I499 PolarHBondContact O-N 2.98Å
496	N	31	Very low	30.2	Very low	102 Å²	102	106.8 Å²	106.8	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-71.5	-25.7	-179.7	-75.4	7.7	0	0	0	112.8	K493 I494 Q500	K493-N496 PolarHBondContact O-N 3.29Å; K493-N496 VanDerWaalsContact O-N 3.13Å; I494-N496 VanDerWaalsContact C-N 3.27Å; I494-N496 PolarHBondContact O-N 3.41Å; N496-Q500 WeakPolarHBondContact O-CB 3.36Å; N496-Q500 WeakPolarHBondContact O-CG 3.2Å; N496-Q500 PolarHBondContact O-N 3.46Å
497	L	29.2	Very low	30.6	Very low	90 Å²	90	104.3 Å²	104.3	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-74	-39.5	176.4	-135.7	87.7	0	0	0	111.1	I494 D495 I499 Q500 L501	I494-L497 WeakPolarHBondContact O-CA 3.47Å; I494-L497 VanDerWaalsContact O-CB 3.3Å; I494-L497 WeakPolarHBondContact O-CB 3.49Å; I494-L497 PolarHBondContact O-N 2.99Å; D495-L497 VanDerWaalsContact C-N 3.31Å; D495-L497 PolarHBondContact O-N 3.35Å; L497-I499 VanDerWaalsContact C-N 3.34Å; L497-I499 PolarHBondContact O-N 3.29Å; L497-Q500 PolarHBondContact O-N 3.35Å; L497-L501 HydrophobicContact CD2-CD1 4.05Å; L497-L501 HydrophobicContact CG-CD1 4.08Å; L497-L501 WeakPolarHBondContact O-CB 3.32Å; L497-L501 WeakPolarHBondContact O-CG 3.37Å; L497-L501 PolarHBondContact O-N 2.79Å; L497-L501 VanDerWaalsContact O-N 3.12Å
498	F	31.8	Very low	31	Very low	62 Å²	62	96.3 Å²	96.3	27%	0.272	50%	0.498	S	S	.	.	H	α-helix	trans	-58.9	-44.2	177.4	-82.5	-65.5	0	0	0	112.4	I494 D495 G502 W503 M735	I494-F498 HydrophobicContact CG2-CD2 3.85Å; I494-F498 HydrophobicContact CG2-CE2 3.51Å; I494-F498 HydrophobicContact CG2-CZ 4.45Å; I494-F498 PolarHBondContact O-N 2.96Å; D495-F498 PolarHBondContact O-N 3.1Å; F498-G502 PolarHBondContact O-N 3.27Å; F498-W503 HydrophobicContact CD1-CB 3.98Å; F498-W503 PolarHBondContact O-N 3.2Å; F498-W503 VanDerWaalsContact O-N 3.07Å; F498-M735 HydrophobicContact CE1-SD 4.08Å; F498-M735 HydrophobicContact CE2-CE 4.21Å; F498-M735 HydrophobicContact CZ-CE 3.69Å; F498-M735 HydrophobicContact CZ-CG 4.23Å; F498-M735 HydrophobicContact CZ-SD 3.77Å
499	I	35.5	Very low	31.7	Very low	129 Å²	129	91.6 Å²	91.6	66%	0.662	47%	0.466	S	S	*	.	H	α-helix	trans	-70.1	-48.2	179.4	-60.9	173	0	0	0	110.7	D495 L497 L501 G502	D495-I499 PolarHBondContact O-N 2.98Å; L497-I499 VanDerWaalsContact C-N 3.34Å; L497-I499 PolarHBondContact O-N 3.29Å; I499-L501 PolarHBondContact O-N 2.82Å; I499-G502 PolarHBondContact O-N 2.84Å
500	Q	35.1	Very low	32.6	Very low	166 Å²	166	83.4 Å²	83.4	78%	0.776	43%	0.431	S	S	*	.	H	α-helix	trans	-64	-24.6	-178.5	-78.6	-168.9	-15.9	0	0	114.4	N496 L497	N496-Q500 WeakPolarHBondContact O-CB 3.36Å; N496-Q500 WeakPolarHBondContact O-CG 3.2Å; N496-Q500 PolarHBondContact O-N 3.46Å; L497-Q500 PolarHBondContact O-N 3.35Å
501	L	32.5	Very low	33.5	Very low	87 Å²	87	82 Å²	82	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-100.3	-9.3	-179.3	-62.2	175.4	0	0	0	114.1	L497 I499 W503	L497-L501 HydrophobicContact CD2-CD1 4.05Å; L497-L501 HydrophobicContact CG-CD1 4.08Å; L497-L501 WeakPolarHBondContact O-CB 3.32Å; L497-L501 WeakPolarHBondContact O-CG 3.37Å; L497-L501 PolarHBondContact O-N 2.79Å; L497-L501 VanDerWaalsContact O-N 3.12Å; I499-L501 PolarHBondContact O-N 2.82Å; L501-W503 HydrophobicContact CB-CB 4.39Å; L501-W503 HydrophobicContact CB-CD2 4.08Å; L501-W503 HydrophobicContact CB-CG 3.75Å; L501-W503 HydrophobicContact CD1-CD2 4.08Å; L501-W503 HydrophobicContact CD1-CE3 4.33Å; L501-W503 HydrophobicContact CD1-CH2 4.42Å; L501-W503 HydrophobicContact CD1-CZ2 4.18Å; L501-W503 HydrophobicContact CD1-CZ3 4.49Å
502	G	31.8	Very low	34.7	Very low	32 Å²	32	73.7 Å²	73.7	33%	0.33	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	36.8	-173.7	0	0	0	0	0	113	S461 F498 I499	S461-G502 PolarHBondContact OG-O 2.74Å; F498-G502 PolarHBondContact O-N 3.27Å; I499-G502 PolarHBondContact O-N 2.84Å
503	W	32.5	Very low	36.2	Very low	113 Å²	113	69.3 Å²	69.3	43%	0.428	35%	0.352	S	S	.	.			trans	-98	-7.9	-171.4	-80.5	19.9	0	0	0	114.6	F498 L501 Y505 L506	F498-W503 HydrophobicContact CD1-CB 3.98Å; F498-W503 PolarHBondContact O-N 3.2Å; F498-W503 VanDerWaalsContact O-N 3.07Å; L501-W503 HydrophobicContact CB-CB 4.39Å; L501-W503 HydrophobicContact CB-CD2 4.08Å; L501-W503 HydrophobicContact CB-CG 3.75Å; L501-W503 HydrophobicContact CD1-CD2 4.08Å; L501-W503 HydrophobicContact CD1-CE3 4.33Å; L501-W503 HydrophobicContact CD1-CH2 4.42Å; L501-W503 HydrophobicContact CD1-CZ2 4.18Å; L501-W503 HydrophobicContact CD1-CZ3 4.49Å; W503-Y505 PolarHBondContact O-N 2.76Å; W503-L506 HydrophobicContact CB-CD1 4.05Å; W503-L506 HydrophobicContact CD2-CD1 3.83Å; W503-L506 HydrophobicContact CE3-CD1 4.24Å; W503-L506 HydrophobicContact CG-CD1 3.73Å; W503-L506 PolarHBondContact O-N 3.18Å
504	S	33.6	Very low	38.1	Very low	61 Å²	61	66.5 Å²	66.5	43%	0.427	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-18	175.5	46.5	0	0	0	0	114.5
505	Y	39.2	Very low	40.6	Very low	88 Å²	88	61.8 Å²	61.8	35%	0.345	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	40.2	-177.6	-48.9	-69.8	0	0	0	112.5	A462 V464 W503 L507	A462-Y505 WeakPolarHBondContact CB-O 3.28Å; A462-Y505 PolarHBondContact N-O 3.03Å; V464-Y505 HydrophobicContact CG2-CD2 4.1Å; V464-Y505 HydrophobicContact CG2-CE2 4.26Å; W503-Y505 PolarHBondContact O-N 2.76Å; Y505-L507 PolarHBondContact O-N 3.44Å; Y505-L507 VanDerWaalsContact O-N 3.13Å
506	L	31.5	Very low	43.3	Very low	18 Å²	18	62.7 Å²	62.7	9%	0.094	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	104.4	173.5	-105	158.3	0	0	0	110.8	W459 W503 N635 H732 L734	W459-L506 HydrophobicContact CB-CD2 4Å; W503-L506 HydrophobicContact CB-CD1 4.05Å; W503-L506 HydrophobicContact CD2-CD1 3.83Å; W503-L506 HydrophobicContact CE3-CD1 4.24Å; W503-L506 HydrophobicContact CG-CD1 3.73Å; W503-L506 PolarHBondContact O-N 3.18Å; L506-N635 PolarHBondContact O-ND2 2.94Å; L506-H732 VanDerWaalsContact CB-NE2 3.3Å; L506-H732 WeakPolarHBondContact CB-NE2 3.33Å; L506-H732 PolarHBondContact O-NE2 3.08Å; L506-L734 HydrophobicContact CD1-CD1 4.03Å; L506-L734 HydrophobicContact CD2-CD1 4.27Å
507	L	36.1	Very low	45.9	Very low	28 Å²	28	59.2 Å²	59.2	15%	0.147	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.9	176.6	-59.3	177.8	0	0	0	109.9	V458 Q460 A462 Y505 V966 P968 N970	V458-L507 VanDerWaalsContact O-O 3.1Å; Q460-L507 PolarHBondContact N-O 2.87Å; Q460-L507 PolarHBondContact O-N 2.92Å; A462-L507 HydrophobicContact CB-CD1 4.12Å; A462-L507 HydrophobicContact CB-CG 4.25Å; Y505-L507 PolarHBondContact O-N 3.44Å; Y505-L507 VanDerWaalsContact O-N 3.13Å; L507-V966 HydrophobicContact CB-CG1 4.3Å; L507-P968 HydrophobicContact CD1-CB 3.79Å; L507-P968 HydrophobicContact CD2-CB 3.58Å; L507-P968 HydrophobicContact CG-CB 4.26Å; L507-N970 HydrophobicContact CD2-CB 4.47Å
508	V	35.2	Very low	48.3	Very low	12 Å²	12	56.2 Å²	56.2	7%	0.073	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122	155.7	166.1	0	0	0	0	108	I457 W459 N635 L969	I457-V508 HydrophobicContact CG2-CG1 4.04Å; W459-V508 HydrophobicContact CD2-CG2 4.34Å; W459-V508 HydrophobicContact CE3-CG2 3.42Å; W459-V508 VanDerWaalsContact CE3-CG2 3.42Å; W459-V508 HydrophobicContact CH2-CG2 3.78Å; W459-V508 HydrophobicContact CZ3-CG2 3.09Å; V508-N635 HydrophobicContact CB-CB 3.71Å; V508-N635 HydrophobicContact CG1-CB 4.37Å; V508-N635 HydrophobicContact CG2-CB 3.59Å; V508-L969 HydrophobicContact CG1-CD1 4.47Å
509	G	38.9	Very low	50.3	Low	5 Å²	5	62.4 Å²	62.4	5%	0.052	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.4	162.1	0	0	0	0	0	109.9	V458 R511	V458-G509 PolarHBondContact N-O 2.85Å; V458-G509 PolarHBondContact O-N 3.05Å; G509-R511 PolarHBondContact O-N 3.28Å
510	I	44	Very low	52	Low	31 Å²	31	59.6 Å²	59.6	16%	0.159	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	116.6	165	-57.1	-179.5	0	0	0	106.7	K455 G512 Y567	K455-I510 HydrophobicContact CB-CG2 4.05Å; K455-I510 HydrophobicContact CD-CG2 4.24Å; K455-I510 HydrophobicContact CG-CG2 4.25Å; I510-G512 PolarHBondContact O-N 3.29Å; I510-Y567 HydrophobicContact CD1-CD2 3.45Å; I510-Y567 VanDerWaalsContact CD1-CD2 3.45Å; I510-Y567 HydrophobicContact CD1-CE2 4.31Å; I510-Y567 HydrophobicContact CD1-CG 4.03Å
511	R	45	Very low	54.1	Low	68 Å²	68	55.6 Å²	55.6	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	75.3	166.6	-87.9	-161.1	-173	144.9	0.4	109.9	K455 Q456 V458 G509 V966	K455-R511 WeakPolarHBondContact CA-O 3.12Å; Q456-R511 PolarHBondContact O-N 2.72Å; V458-R511 HydrophobicContact CB-CG 4.01Å; V458-R511 HydrophobicContact CG2-CB 3.96Å; V458-R511 HydrophobicContact CG2-CG 3.61Å; G509-R511 PolarHBondContact O-N 3.28Å; R511-V966 HydrophobicContact CG-CG2 4.33Å
512	G	51.4	Low	56.5	Low	22 Å²	22	53.6 Å²	53.6	23%	0.227	28%	0.278	C	S	.	.			trans	-74.5	177.7	161.3	0	0	0	0	0	111.6	I510	I510-G512 PolarHBondContact O-N 3.29Å
513	G	57.2	Low	59.1	Low	3 Å²	3	58.5 Å²	58.5	3%	0.031	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-72.3	160	156.4	0	0	0	0	0	109.9	Q449 Y453 W515	Q449-G513 PolarHBondContact NE2-O 2.67Å; Y453-G513 VanDerWaalsContact CD1-CA 3.45Å; G513-W515 PolarHBondContact O-N 3.12Å
514	L	70.5	Confident	61.4	Low	87 Å²	87	56.6 Å²	56.6	46%	0.455	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-65.3	127	168.8	-66.3	171.6	0	0	0	109.1
515	W	82.8	Confident	63.8	Low	1 Å²	1	57.1 Å²	57.1	0%	0.004	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.8	147.1	161.9	-75.1	100	0	0	0	109.2	I372 L447 F448 Q449 G513 R538 V540 E556 M559 E563	I372-W515 HydrophobicContact CD1-CZ2 4.12Å; I372-W515 HydrophobicContact CG1-CH2 4.49Å; I372-W515 HydrophobicContact CG1-CZ2 4.47Å; I372-W515 HydrophobicContact CG2-CH2 3.79Å; I372-W515 HydrophobicContact CG2-CZ2 4.27Å; L447-W515 HydrophobicContact CB-CE3 3.85Å; L447-W515 HydrophobicContact CB-CZ3 4.46Å; L447-W515 HydrophobicContact CD1-CB 4.39Å; F448-W515 CarbonylContact O-C 3.56Å; Q449-W515 HydrophobicContact CB-CD2 3.92Å; Q449-W515 HydrophobicContact CB-CE3 3.73Å; Q449-W515 HydrophobicContact CB-CH2 4.31Å; Q449-W515 HydrophobicContact CB-CZ2 4.48Å; Q449-W515 HydrophobicContact CB-CZ3 3.93Å; G513-W515 PolarHBondContact O-N 3.12Å; W515-R538 HydrophobicContact CH2-CB 3.96Å; W515-R538 HydrophobicContact CZ3-CB 4.44Å; W515-V540 HydrophobicContact CE3-CG1 3.95Å; W515-V540 HydrophobicContact CH2-CB 4.14Å; W515-V540 HydrophobicContact CH2-CG1 3.75Å; W515-V540 HydrophobicContact CZ2-CG1 4.36Å; W515-V540 HydrophobicContact CZ3-CB 4.23Å; W515-V540 HydrophobicContact CZ3-CG1 3.52Å; W515-E556 HydrophobicContact CB-CB 4.33Å; W515-E556 HydrophobicContact CB-CG 4.47Å; W515-E556 WeakPolarHBondContact O-CB 3.47Å; W515-E556 VanDerWaalsContact O-CG 3.28Å; W515-E556 WeakPolarHBondContact O-CG 3.47Å; W515-M559 HydrophobicContact CD2-CG 3.77Å; W515-M559 HydrophobicContact CE3-CG 4.42Å; W515-M559 HydrophobicContact CG-CB 4.16Å; W515-M559 HydrophobicContact CG-CG 3.82Å; W515-M559 HydrophobicContact CZ2-CE 4.09Å; W515-M559 HydrophobicContact CZ2-CG 4.4Å; W515-E563 WeakPolarHBondContact CZ2-OE2 3.47Å; W515-E563 PolarHBondContact NE1-OE2 3.27Å
516	K	85.5	Confident	65.7	Low	111 Å²	111	58.6 Å²	58.6	48%	0.483	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.6	-178.1	-67.4	-172.9	178.7	-176.5	0	111.5	L447 F448 M518 E556	L447-K516 WeakPolarHBondContact CA-O 3.08Å; F448-K516 PolarHBondContact N-O 2.78Å; F448-K516 PolarHBondContact O-N 3.5Å; K516-M518 PolarHBondContact O-N 2.64Å; K516-E556 WeakPolarHBondContact CA-OE1 3.47Å
517	T	83.9	Confident	68.1	Low	29 Å²	29	64.1 Å²	64.1	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.1	-179.5	-53	0	0	0	0	110.6	F445 L447 K519 S552 E556	F445-T517 HydrophobicContact CD1-CG2 4.17Å; L447-T517 HydrophobicContact CD2-CG2 4.19Å; L447-T517 WeakPolarHBondContact CD2-OG1 3.5Å; T517-K519 PolarHBondContact O-N 3.06Å; T517-S552 WeakPolarHBondContact OG1-CB 3.36Å; T517-E556 VanDerWaalsContact CB-OE1 3.3Å; T517-E556 WeakPolarHBondContact CB-OE1 3.42Å; T517-E556 PolarHBondContact N-OE1 3.05Å; T517-E556 PolarHBondContact OG1-OE1 3.37Å
518	M	80.7	Confident	70.6	Confident	28 Å²	28	63.7 Å²	63.7	14%	0.138	31%	0.307	C	S	.	.			trans	-84.6	99.2	-171.7	-156.8	176.2	-148.5	0	0	111.3	L446 F448 K516 Q520 F531 F539	L446-M518 HydrophobicContact CB-CB 4.44Å; L446-M518 HydrophobicContact CD2-CB 4.09Å; L446-M518 HydrophobicContact CD2-CG 4.37Å; L446-M518 HydrophobicContact CD2-SD 3.7Å; L446-M518 HydrophobicContact CG-CB 4Å; L446-M518 HydrophobicContact CG-SD 4.26Å; L446-M518 WeakPolarHBondContact O-CB 3.37Å; L446-M518 PolarHBondContact O-N 3.32Å; F448-M518 HydrophobicContact CB-CB 4.35Å; F448-M518 HydrophobicContact CB-CE 4.43Å; F448-M518 HydrophobicContact CB-CG 4.47Å; F448-M518 HydrophobicContact CB-SD 4.15Å; F448-M518 HydrophobicContact CG-CE 4.28Å; K516-M518 PolarHBondContact O-N 2.64Å; M518-Q520 HydrophobicContact CG-CB 4.49Å; M518-Q520 HydrophobicContact CG-CG 4.16Å; M518-Q520 PolarHBondContact O-N 3.17Å; M518-F531 HydrophobicContact CE-CE2 4.47Å; M518-F531 HydrophobicContact SD-CD2 4.02Å; M518-F531 HydrophobicContact SD-CE2 3.95Å; M518-F539 HydrophobicContact CE-CE1 3.99Å; M518-F539 HydrophobicContact SD-CD1 4.39Å; M518-F539 HydrophobicContact SD-CE1 4Å
519	K	72.8	Confident	73.2	Confident	191 Å²	191	63.2 Å²	63.2	83%	0.83	30%	0.304	S	S	*	.			trans	-75.6	24.1	-175.2	-57.4	-178.3	-178.4	178.3	0	115	T517	T517-K519 PolarHBondContact O-N 3.06Å
520	Q	72.8	Confident	75.7	Confident	71 Å²	71	63.4 Å²	63.4	33%	0.332	31%	0.305	S	S	.	.	S	Bend	trans	-81.5	158.9	-178.4	-70.1	-177.7	-13.3	0	0	111.8	M518 V522 N532	M518-Q520 HydrophobicContact CG-CB 4.49Å; M518-Q520 HydrophobicContact CG-CG 4.16Å; M518-Q520 PolarHBondContact O-N 3.17Å; Q520-V522 VanDerWaalsContact O-CG2 3.24Å; Q520-V522 WeakPolarHBondContact O-CG2 3.45Å; Q520-V522 PolarHBondContact O-N 3.36Å; Q520-N532 PolarHBondContact NE2-O 2.91Å; Q520-N532 PolarHBondContact OE1-O 3.42Å; Q520-N532 VanDerWaalsContact OE1-O 3.07Å
521	S	77.2	Confident	78	Confident	82 Å²	82	62 Å²	62	57%	0.573	30%	0.298	S	S	*	.			trans	-74	126	172.7	58.1	0	0	0	0	110.7
522	V	84.2	Confident	80.1	Confident	45 Å²	45	62 Å²	62	27%	0.273	30%	0.303	S	S	.	.			trans	-117.9	140.5	-171.1	-158	0	0	0	0	110.6	Q520 I529 S530 F531	Q520-V522 VanDerWaalsContact O-CG2 3.24Å; Q520-V522 WeakPolarHBondContact O-CG2 3.45Å; Q520-V522 PolarHBondContact O-N 3.36Å; V522-I529 HydrophobicContact CG1-CD1 3.61Å; V522-I529 HydrophobicContact CG1-CG1 3.23Å; V522-S530 WeakPolarHBondContact CA-O 3.41Å; V522-S530 WeakPolarHBondContact CG1-O 3.5Å; V522-F531 HydrophobicContact CG1-CB 4.35Å
523	Y	85.2	Confident	81.9	Confident	134 Å²	134	61 Å²	61	53%	0.525	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.8	-178.1	-53	-90.6	0	0	0	110.8	S530	Y523-S530 PolarHBondContact N-O 3.48Å; Y523-S530 WeakPolarHBondContact O-CB 3.39Å; Y523-S530 PolarHBondContact O-N 3.41Å; Y523-S530 PolarHBondContact O-OG 3.26Å
524	Y	82.5	Confident	83.3	Confident	74 Å²	74	63.6 Å²	63.6	29%	0.29	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.5	-179.2	-67.4	-89.6	0	0	0	111.7	L392 L444 I529	L392-Y524 HydrophobicContact CD2-CD1 4.15Å; L392-Y524 HydrophobicContact CD2-CE1 4.14Å; L444-Y524 HydrophobicContact CD2-CE1 4.17Å; Y524-I529 HydrophobicContact CD1-CB 4.37Å; Y524-I529 HydrophobicContact CD1-CD1 4.26Å; Y524-I529 HydrophobicContact CD1-CG1 4.07Å; Y524-I529 HydrophobicContact CE1-CB 4.36Å; Y524-I529 HydrophobicContact CE1-CD1 3.47Å; Y524-I529 VanDerWaalsContact CE1-CD1 3.47Å; Y524-I529 HydrophobicContact CE1-CG1 3.78Å
525	T	82.4	Confident	83.9	Confident	72 Å²	72	61.8 Å²	61.8	44%	0.442	30%	0.298	S	S	.	.			trans	-121.6	174.8	164	84.3	0	0	0	0	108.8	R527 T528	T525-R527 PolarHBondContact O-N 3.17Å; T525-R527 PolarHBondContact OG1-N 3.22Å; T525-T528 WeakPolarHBondContact CG2-OG1 3.28Å; T525-T528 PolarHBondContact N-O 3.18Å; T525-T528 PolarHBondContact OG1-N 3.48Å; T525-T528 PolarHBondContact OG1-O 2.82Å; T525-T528 PolarHBondContact OG1-OG1 3.25Å
526	K	79.4	Confident	84	Confident	119 Å²	119	62 Å²	62	52%	0.517	30%	0.299	S	S	.	.	S	Bend	trans	-53.7	-23.9	177.1	-71.5	-160.9	167.4	-161.5	0	114.5	N401 D405	N401-K526 PolarHBondContact ND2-O 3.16Å; N401-K526 PolarHBondContact OD1-O 2.83Å; D405-K526 IonicContact OD1-NZ 3.93Å
527	R	83.1	Confident	84	Confident	134 Å²	134	56.7 Å²	56.7	51%	0.506	28%	0.276	S	S	.	.	S	Bend	trans	-137.1	-8.4	-176.9	-66.3	-169.9	179.1	-169.6	-0.4	115.8	L392 I397 T525	L392-R527 PolarHBondContact N-O 2.63Å; I397-R527 HydrophobicContact CD1-CG 4.39Å; T525-R527 PolarHBondContact O-N 3.17Å; T525-R527 PolarHBondContact OG1-N 3.22Å
528	T	88.3	Confident	84.2	Confident	18 Å²	18	55.6 Å²	55.6	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.6	-176.3	60.4	0	0	0	0	112.8	F325 L390 T525	F325-T528 HydrophobicContact CB-CG2 3.88Å; F325-T528 WeakPolarHBondContact O-CG2 3.47Å; L390-T528 CarbonylContact O-C 3.44Å; L390-T528 WeakPolarHBondContact O-CA 3.38Å; L390-T528 VanDerWaalsContact O-CB 3.25Å; L390-T528 WeakPolarHBondContact O-CB 3.47Å; T525-T528 WeakPolarHBondContact CG2-OG1 3.28Å; T525-T528 PolarHBondContact N-O 3.18Å; T525-T528 PolarHBondContact OG1-N 3.48Å; T525-T528 PolarHBondContact OG1-O 2.82Å; T525-T528 PolarHBondContact OG1-OG1 3.25Å
529	I	89.7	Confident	84.7	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.3	174.1	-170.4	175.2	0	0	0	108.9	H389 L390 L392 L444 V522 Y524 L541	H389-I529 WeakPolarHBondContact CA-O 3.23Å; L390-I529 HydrophobicContact CB-CG2 3.91Å; L390-I529 PolarHBondContact N-O 3.44Å; L390-I529 PolarHBondContact O-N 2.88Å; L392-I529 HydrophobicContact CD2-CB 3.9Å; L392-I529 HydrophobicContact CD2-CG2 4.3Å; L392-I529 HydrophobicContact CG-CB 4.49Å; L444-I529 HydrophobicContact CD2-CD1 4.19Å; V522-I529 HydrophobicContact CG1-CD1 3.61Å; V522-I529 HydrophobicContact CG1-CG1 3.23Å; Y524-I529 HydrophobicContact CD1-CB 4.37Å; Y524-I529 HydrophobicContact CD1-CD1 4.26Å; Y524-I529 HydrophobicContact CD1-CG1 4.07Å; Y524-I529 HydrophobicContact CE1-CB 4.36Å; Y524-I529 HydrophobicContact CE1-CD1 3.47Å; Y524-I529 VanDerWaalsContact CE1-CD1 3.47Å; Y524-I529 HydrophobicContact CE1-CG1 3.78Å; I529-L541 HydrophobicContact CD1-CD2 3.87Å; I529-L541 HydrophobicContact CG2-CD1 3.6Å; I529-L541 HydrophobicContact CG2-CD2 3.84Å; I529-L541 HydrophobicContact CG2-CG 4.34Å
530	S	91.1	Very high	85.6	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.9	-163.1	-39.9	0	0	0	0	112.1	I388 H389 V522 Y523	I388-S530 VanDerWaalsContact O-CA 3.3Å; I388-S530 WeakPolarHBondContact O-CA 3.2Å; H389-S530 VanDerWaalsContact ND1-CB 3.32Å; H389-S530 WeakPolarHBondContact ND1-CB 3.23Å; H389-S530 PolarHBondContact ND1-OG 2.92Å; V522-S530 WeakPolarHBondContact CA-O 3.41Å; V522-S530 WeakPolarHBondContact CG1-O 3.5Å; Y523-S530 PolarHBondContact N-O 3.48Å; Y523-S530 WeakPolarHBondContact O-CB 3.39Å; Y523-S530 PolarHBondContact O-N 3.41Å; Y523-S530 PolarHBondContact O-OG 3.26Å
531	F	91.8	Very high	86.4	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	168.1	-179	58.8	-82.1	0	0	0	112	T387 I388 L390 L446 M518 V522 T533 F539	T387-F531 CarbonylContact C-O 3.58Å; T387-F531 WeakPolarHBondContact CA-O 3.35Å; I388-F531 HydrophobicContact CB-CE1 4.11Å; I388-F531 HydrophobicContact CB-CE2 4.08Å; I388-F531 HydrophobicContact CB-CZ 3.82Å; I388-F531 HydrophobicContact CD1-CE2 4.01Å; I388-F531 HydrophobicContact CD1-CZ 4.1Å; I388-F531 HydrophobicContact CG1-CE2 4.4Å; I388-F531 HydrophobicContact CG1-CZ 4.47Å; I388-F531 HydrophobicContact CG2-CE1 4.06Å; I388-F531 HydrophobicContact CG2-CZ 3.87Å; I388-F531 PolarHBondContact N-O 2.89Å; I388-F531 PolarHBondContact O-N 3.3Å; L390-F531 HydrophobicContact CD1-CE1 3.78Å; L390-F531 HydrophobicContact CD1-CZ 4.08Å; L390-F531 HydrophobicContact CG-CE1 3.98Å; L390-F531 HydrophobicContact CG-CZ 4.45Å; L446-F531 HydrophobicContact CD1-CE1 4.16Å; L446-F531 HydrophobicContact CD1-CZ 4.31Å; L446-F531 HydrophobicContact CD2-CD1 3.61Å; L446-F531 HydrophobicContact CD2-CD2 4Å; L446-F531 HydrophobicContact CD2-CE1 3.67Å; L446-F531 HydrophobicContact CD2-CE2 4.05Å; L446-F531 HydrophobicContact CD2-CG 3.79Å; L446-F531 HydrophobicContact CD2-CZ 3.9Å; M518-F531 HydrophobicContact CE-CE2 4.47Å; M518-F531 HydrophobicContact SD-CD2 4.02Å; M518-F531 HydrophobicContact SD-CE2 3.95Å; V522-F531 HydrophobicContact CG1-CB 4.35Å; F531-T533 HydrophobicContact CD2-CG2 4.38Å; F531-T533 HydrophobicContact CE2-CG2 4.02Å; F531-F539 AromaticContact CE2-CD1 3.88Å; F531-F539 HydrophobicContact CE2-CD1 3.88Å; F531-F539 AromaticContact CE2-CE1 3.58Å; F531-F539 HydrophobicContact CE2-CE1 3.58Å; F531-F539 HydrophobicContact CE2-CZ 4.15Å; F531-F539 AromaticContact CZ-CD1 3.64Å; F531-F539 HydrophobicContact CZ-CD1 3.64Å; F531-F539 AromaticContact CZ-CE1 3.83Å; F531-F539 HydrophobicContact CZ-CE1 3.83Å; F531-F539 HydrophobicContact CZ-CG 4.07Å; F531-F539 HydrophobicContact CZ-CZ 4.41Å
532	N	90.7	Very high	86.9	Confident	68 Å²	68	37.9 Å²	37.9	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	107.3	-174.4	-72.6	-48	0	0	0	110.9	P385 A386 T387 Q520	P385-N532 HydrophobicContact CB-CB 4.2Å; A386-N532 CarbonylContact O-C 3.59Å; A386-N532 WeakPolarHBondContact O-CA 3.48Å; T387-N532 WeakPolarHBondContact CA-OD1 3.32Å; T387-N532 WeakPolarHBondContact CB-OD1 3.48Å; T387-N532 WeakPolarHBondContact CG2-OD1 3.21Å; T387-N532 PolarHBondContact OG1-OD1 2.99Å; Q520-N532 PolarHBondContact NE2-O 2.91Å; Q520-N532 PolarHBondContact OE1-O 3.42Å; Q520-N532 VanDerWaalsContact OE1-O 3.07Å
533	T	88.8	Confident	86.9	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.1	-175.4	-177.9	0	0	0	0	113.1	P385 A386 I388 F531 I535 F539	P385-T533 CarbonylContact C-O 3.58Å; P385-T533 VanDerWaalsContact CA-O 3.25Å; P385-T533 WeakPolarHBondContact CA-O 3.34Å; A386-T533 PolarHBondContact N-O 3.31Å; A386-T533 PolarHBondContact O-N 3.25Å; I388-T533 HydrophobicContact CD1-CG2 3.47Å; I388-T533 VanDerWaalsContact CD1-CG2 3.47Å; I388-T533 HydrophobicContact CG1-CG2 4.02Å; F531-T533 HydrophobicContact CD2-CG2 4.38Å; F531-T533 HydrophobicContact CE2-CG2 4.02Å; T533-I535 WeakPolarHBondContact CG2-O 3.4Å; T533-I535 PolarHBondContact OG1-N 2.83Å; T533-I535 PolarHBondContact OG1-O 2.74Å; T533-F539 HydrophobicContact CG2-CZ 4.07Å
534	T	85.9	Confident	86.7	Confident	57 Å²	57	29.4 Å²	29.4	35%	0.35	14%	0.142	S	C	.	.	S	Bend	trans	-86	-10.7	168.9	47.9	0	0	0	0	113.2	L382 P385	L382-T534 WeakPolarHBondContact CA-O 3.36Å; L382-T534 VanDerWaalsContact CB-O 3.24Å; L382-T534 WeakPolarHBondContact CB-O 3.09Å; L382-T534 WeakPolarHBondContact CG-O 3.46Å; L382-T534 PolarHBondContact N-O 2.9Å; P385-T534 HydrophobicContact CB-CG2 4.09Å
535	I	83.9	Confident	86.3	Confident	49 Å²	49	30.4 Å²	30.4	25%	0.251	15%	0.145	S	C	.	.			trans	-118.9	128.4	-178.6	-48.5	176.4	0	0	0	108.8	E381 F448 T533	E381-I535 HydrophobicContact CG-CG1 4.37Å; E381-I535 WeakPolarHBondContact OE1-CD1 3.29Å; F448-I535 HydrophobicContact CE2-CG2 4.28Å; F448-I535 HydrophobicContact CZ-CB 4Å; F448-I535 HydrophobicContact CZ-CG2 3.7Å; T533-I535 WeakPolarHBondContact CG2-O 3.4Å; T533-I535 PolarHBondContact OG1-N 2.83Å; T533-I535 PolarHBondContact OG1-O 2.74Å
536	L	84.8	Confident	85.6	Confident	6 Å²	6	33.3 Å²	33.3	3%	0.031	15%	0.153	C	C	.	.			trans	-92.3	149.4	167	-61.5	-173.7	0	0	0	109.7	I310 F375 L377 L382 I388	I310-L536 HydrophobicContact CD1-CD1 4.19Å; F375-L536 HydrophobicContact CB-CB 4.08Å; L377-L536 HydrophobicContact CB-CB 4.32Å; L377-L536 HydrophobicContact CB-CD1 4.44Å; L377-L536 HydrophobicContact CD2-CD1 4.13Å; L382-L536 HydrophobicContact CD1-CD1 4.34Å; L382-L536 HydrophobicContact CD1-CD2 4.17Å; L382-L536 HydrophobicContact CD1-CG 3.95Å; L382-L536 HydrophobicContact CG-CG 4.41Å; I388-L536 HydrophobicContact CD1-CD2 3.93Å
537	G	85.8	Confident	84.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-140.9	-172.7	0	0	0	0	0	109.2	F375	F375-G537 PolarHBondContact N-O 3.1Å; F375-G537 PolarHBondContact O-N 3.07Å
538	R	87.8	Confident	83.5	Confident	5 Å²	5	30 Å²	30	2%	0.019	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.3	-173.9	-51.9	-176.4	60.8	-113.8	2.9	109.9	I372 F373 E374 F448 Q449 W515 E563	I372-R538 HydrophobicContact CG2-CB 4.22Å; F373-R538 CarbonylContact O-C 2.84Å; F373-R538 WeakPolarHBondContact O-CA 3.38Å; E374-R538 HydrophobicContact CB-CG 3.86Å; E374-R538 HydrophobicContact CG-CG 3.78Å; E374-R538 WeakPolarHBondContact OE2-CD 3.48Å; E374-R538 IonicContact OE2-CZ 3.93Å; E374-R538 IonicContact OE2-NE 3.93Å; E374-R538 PolarHBondContact OE2-NE 3.01Å; E374-R538 IonicContact OE2-NH2 2.79Å; F448-R538 CarbonylContact C-O 3.59Å; F448-R538 VanDerWaalsContact CA-O 3.29Å; F448-R538 WeakPolarHBondContact CA-O 3.39Å; Q449-R538 HydrophobicContact CB-CB 4.31Å; Q449-R538 PolarHBondContact N-O 2.67Å; Q449-R538 PolarHBondContact O-N 3.48Å; W515-R538 HydrophobicContact CH2-CB 3.96Å; W515-R538 HydrophobicContact CZ3-CB 4.44Å; R538-E563 IonicContact CZ-OE1 3.09Å; R538-E563 VanDerWaalsContact NH1-CD 3.33Å; R538-E563 IonicContact NH1-OE1 3.67Å; R538-E563 PolarHBondContact NH1-OE1 2.78Å; R538-E563 IonicContact NH1-OE2 3.39Å; R538-E563 PolarHBondContact NH1-OE2 3.42Å; R538-E563 VanDerWaalsContact NH1-OE2 3.12Å; R538-E563 IonicContact NH2-OE1 2.78Å; R538-E563 PolarHBondContact NH2-OE1 3.18Å
539	F	90.8	Very high	81.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142	-174.7	-57.7	-84.3	0	0	0	110.7	F373 F375 I388 L390 L446 L447 F448 M518 F531 T533	F373-F539 PolarHBondContact N-O 2.77Å; F373-F539 PolarHBondContact O-N 2.78Å; F375-F539 AromaticContact CD2-CD2 3.81Å; F375-F539 HydrophobicContact CD2-CD2 3.81Å; F375-F539 AromaticContact CD2-CE2 3.82Å; F375-F539 HydrophobicContact CD2-CE2 3.82Å; F375-F539 AromaticContact CE2-CD2 3.93Å; F375-F539 HydrophobicContact CE2-CD2 3.93Å; F375-F539 HydrophobicContact CE2-CE2 4.22Å; I388-F539 HydrophobicContact CD1-CD2 4.36Å; I388-F539 HydrophobicContact CD1-CE2 3.66Å; I388-F539 HydrophobicContact CD1-CZ 3.81Å; L390-F539 HydrophobicContact CD1-CB 3.72Å; L390-F539 HydrophobicContact CD1-CG 4.46Å; L446-F539 HydrophobicContact CD1-CB 4.31Å; L446-F539 HydrophobicContact CD1-CD1 4.35Å; L447-F539 WeakPolarHBondContact O-CA 3.47Å; F448-F539 HydrophobicContact CB-CD1 4.11Å; F448-F539 HydrophobicContact CB-CE1 4.16Å; F448-F539 AromaticContact CD2-CD1 3.9Å; F448-F539 HydrophobicContact CD2-CD1 3.9Å; F448-F539 AromaticContact CD2-CE1 3.37Å; F448-F539 HydrophobicContact CD2-CE1 3.37Å; F448-F539 AromaticContact CD2-CZ 3.76Å; F448-F539 HydrophobicContact CD2-CZ 3.76Å; F448-F539 HydrophobicContact CE2-CE1 4.12Å; F448-F539 HydrophobicContact CE2-CZ 4.07Å; F448-F539 HydrophobicContact CG-CD1 4.46Å; F448-F539 HydrophobicContact CG-CE1 4.09Å; M518-F539 HydrophobicContact CE-CE1 3.99Å; M518-F539 HydrophobicContact SD-CD1 4.39Å; M518-F539 HydrophobicContact SD-CE1 4Å; F531-F539 AromaticContact CE2-CD1 3.88Å; F531-F539 HydrophobicContact CE2-CD1 3.88Å; F531-F539 AromaticContact CE2-CE1 3.58Å; F531-F539 HydrophobicContact CE2-CE1 3.58Å; F531-F539 HydrophobicContact CE2-CZ 4.15Å; F531-F539 AromaticContact CZ-CD1 3.64Å; F531-F539 HydrophobicContact CZ-CD1 3.64Å; F531-F539 AromaticContact CZ-CE1 3.83Å; F531-F539 HydrophobicContact CZ-CE1 3.83Å; F531-F539 HydrophobicContact CZ-CG 4.07Å; F531-F539 HydrophobicContact CZ-CZ 4.41Å; T533-F539 HydrophobicContact CG2-CZ 4.07Å
540	V	90.5	Very high	80.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.1	178.5	68.7	0	0	0	0	110.4	C369 I372 L447 W515 M559	C369-V540 WeakPolarHBondContact SG-CG2 3.49Å; I372-V540 HydrophobicContact CG1-CB 4.24Å; I372-V540 HydrophobicContact CG1-CG2 4.05Å; L447-V540 HydrophobicContact CB-CG1 3.88Å; L447-V540 PolarHBondContact N-O 2.85Å; L447-V540 PolarHBondContact O-N 3.32Å; W515-V540 HydrophobicContact CE3-CG1 3.95Å; W515-V540 HydrophobicContact CH2-CB 4.14Å; W515-V540 HydrophobicContact CH2-CG1 3.75Å; W515-V540 HydrophobicContact CZ2-CG1 4.36Å; W515-V540 HydrophobicContact CZ3-CB 4.23Å; W515-V540 HydrophobicContact CZ3-CG1 3.52Å; V540-M559 HydrophobicContact CB-CE 4.36Å; V540-M559 HydrophobicContact CB-SD 4.49Å; V540-M559 HydrophobicContact CG1-CE 3.97Å; V540-M559 HydrophobicContact CG1-CG 3.94Å; V540-M559 HydrophobicContact CG1-SD 3.7Å; V540-M559 HydrophobicContact CG2-CE 3.98Å; V540-M559 HydrophobicContact CG2-SD 4.09Å
541	L	90	Very high	78.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.7	-179.7	-52.3	168	0	0	0	109.2	C369 S370 P391 L444 F445 L446 I529	C369-L541 CarbonylContact C-O 3.55Å; C369-L541 WeakPolarHBondContact CA-O 3.35Å; S370-L541 PolarHBondContact N-O 3.34Å; S370-L541 PolarHBondContact OG-N 3.49Å; P391-L541 WeakPolarHBondContact O-CD1 3.42Å; L444-L541 HydrophobicContact CD1-CB 4.24Å; L444-L541 HydrophobicContact CD2-CB 4.27Å; L444-L541 HydrophobicContact CD2-CD1 4.38Å; L444-L541 HydrophobicContact CG-CB 4.24Å; F445-L541 CarbonylContact O-C 3.49Å; F445-L541 WeakPolarHBondContact O-CA 3.5Å; L446-L541 HydrophobicContact CB-CD2 4.26Å; L446-L541 HydrophobicContact CD1-CD2 3.76Å; I529-L541 HydrophobicContact CD1-CD2 3.87Å; I529-L541 HydrophobicContact CG2-CD1 3.6Å; I529-L541 HydrophobicContact CG2-CD2 3.84Å; I529-L541 HydrophobicContact CG2-CG 4.34Å
542	I	87.6	Confident	77.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.3	179	-58	-175.9	0	0	0	109.9	I366 L444 F445 L447 V544 M559	I366-I542 HydrophobicContact CD1-CG2 4.41Å; I366-I542 HydrophobicContact CG2-CG2 4.07Å; L444-I542 WeakPolarHBondContact CA-O 3.5Å; F445-I542 PolarHBondContact N-O 3.25Å; F445-I542 PolarHBondContact O-N 2.85Å; L447-I542 HydrophobicContact CD1-CD1 3.5Å; L447-I542 HydrophobicContact CD1-CG1 4.43Å; L447-I542 HydrophobicContact CG-CD1 4.12Å; I542-V544 HydrophobicContact CG2-CG2 4.22Å; I542-M559 HydrophobicContact CD1-CB 3.75Å; I542-M559 HydrophobicContact CD1-CG 3.98Å; I542-M559 HydrophobicContact CD1-SD 3.65Å; I542-M559 HydrophobicContact CG1-SD 4.21Å
543	G	84.5	Confident	76.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.7	167.1	0	0	0	0	0	111	I366 E367 G368 R443	I366-G543 WeakPolarHBondContact CA-O 3.5Å; I366-G543 WeakPolarHBondContact CG2-O 3.26Å; E367-G543 PolarHBondContact N-O 3.29Å; G368-G543 PolarHBondContact O-N 2.92Å; R443-G543 CarbonylContact O-C 3.59Å; R443-G543 WeakPolarHBondContact O-CA 3.44Å
544	V	81.8	Confident	76.3	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.1	177.8	-172.2	0	0	0	0	108.9	R443 F445 I542 H546 K550 L555	R443-V544 PolarHBondContact O-N 3Å; F445-V544 HydrophobicContact CD2-CB 4.39Å; F445-V544 HydrophobicContact CD2-CG2 3.64Å; F445-V544 HydrophobicContact CE2-CB 4.17Å; F445-V544 HydrophobicContact CE2-CG2 3.81Å; I542-V544 HydrophobicContact CG2-CG2 4.22Å; V544-H546 VanDerWaalsContact C-N 3.31Å; V544-H546 WeakPolarHBondContact CG1-O 3.38Å; V544-H546 PolarHBondContact O-N 2.87Å; V544-K550 HydrophobicContact CG1-CD 3.96Å; V544-L555 HydrophobicContact CG2-CD1 4.1Å; V544-L555 HydrophobicContact CG2-CD2 3.58Å
545	R	74.4	Confident	76	Confident	96 Å²	96	50 Å²	50	36%	0.362	24%	0.241	S	C	.	.	S	Bend	trans	-66.5	-33.9	-176	-61.7	-172.6	-167.4	178.7	3.2	112.6	N364 E365 I366 E367 R443	N364-R545 WeakPolarHBondContact O-CD 3.35Å; N364-R545 PolarHBondContact O-NE 2.86Å; N364-R545 PolarHBondContact O-NH1 3.3Å; E365-R545 PolarHBondContact O-N 3.16Å; I366-R545 PolarHBondContact O-NE 2.91Å; I366-R545 PolarHBondContact O-NH2 3.43Å; E367-R545 HydrophobicContact CB-CG 3.87Å; E367-R545 HydrophobicContact CG-CG 4.23Å; R443-R545 PolarHBondContact NH1-O 3.4Å
546	H	67	Low	75.8	Confident	132 Å²	132	49.5 Å²	49.5	61%	0.611	24%	0.238	S	C	*	.			trans	-131.3	108.3	178.6	-54.8	-73.3	0	0	0	110	V544 D548	V544-H546 VanDerWaalsContact C-N 3.31Å; V544-H546 WeakPolarHBondContact CG1-O 3.38Å; V544-H546 PolarHBondContact O-N 2.87Å; H546-D548 VanDerWaalsContact C-N 3.34Å
547	S	61.3	Low	75.4	Confident	32 Å²	32	52.3 Å²	52.3	22%	0.224	25%	0.251	C	S	.	.	S	Bend	trans	-68.8	-30.1	-178.4	38.2	0	0	0	0	113.7	R549	S547-R549 PolarHBondContact O-N 2.8Å
548	D	56.5	Low	75	Confident	151 Å²	151	52.3 Å²	52.3	81%	0.807	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.9	-153.1	-44.5	-34.6	0	0	0	114.2	H546	H546-D548 VanDerWaalsContact C-N 3.34Å
549	R	52.7	Low	74.6	Confident	238 Å²	238	52.1 Å²	52.1	90%	0.898	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-2.5	-175.2	-73.1	-172.1	173.9	-171.9	-2.1	115.2	S547	S547-R549 PolarHBondContact O-N 2.8Å
550	K	57.8	Low	73.9	Confident	43 Å²	43	53.2 Å²	53.2	19%	0.187	26%	0.256	C	S	.	.			trans	-107.3	134.7	-167.7	-68.1	-159.6	174.8	-162.6	0	115	E365 V544 L555	E365-K550 VanDerWaalsContact CB-NZ 3.28Å; E365-K550 VanDerWaalsContact CD-CE 3.5Å; E365-K550 WeakPolarHBondContact OE2-CE 3.49Å; E365-K550 IonicContact OE2-NZ 2.64Å; E365-K550 PolarHBondContact OE2-NZ 3.33Å; V544-K550 HydrophobicContact CG1-CD 3.96Å; K550-L555 HydrophobicContact CD-CD1 4.29Å; K550-L555 HydrophobicContact CD-CD2 3.71Å; K550-L555 HydrophobicContact CD-CG 3.86Å
551	T	60.7	Low	72.9	Confident	93 Å²	93	54 Å²	54	57%	0.571	26%	0.26	S	S	*	.			trans	-72	150.1	154.4	50.5	0	0	0	0	110	D553 K554	T551-D553 PolarHBondContact O-N 2.88Å; T551-K554 PolarHBondContact O-N 3.46Å
552	S	68.9	Low	72.2	Confident	38 Å²	38	54 Å²	54	27%	0.266	26%	0.26	S	S	.	.	H	α-helix	trans	-51.5	-41.8	173.7	27.3	0	0	0	0	112.1	T517 K554 L555 E556	T517-S552 WeakPolarHBondContact OG1-CB 3.36Å; S552-K554 VanDerWaalsContact C-N 3.29Å; S552-K554 PolarHBondContact O-N 3.34Å; S552-L555 WeakPolarHBondContact O-CB 3.27Å; S552-L555 PolarHBondContact O-N 2.99Å; S552-E556 WeakPolarHBondContact CB-OE1 3.32Å; S552-E556 WeakPolarHBondContact O-CG 3.46Å; S552-E556 PolarHBondContact O-N 3.27Å
553	D	71.3	Confident	71.6	Confident	106 Å²	106	54.3 Å²	54.3	57%	0.567	26%	0.262	S	S	*	.	H	α-helix	trans	-67.9	-31	-165.3	-46.6	17.8	0	0	0	110.9	T551 E556 H557	T551-D553 PolarHBondContact O-N 2.88Å; D553-E556 PolarHBondContact O-N 3.03Å; D553-H557 WeakPolarHBondContact O-CB 3.49Å; D553-H557 PolarHBondContact O-N 2.78Å
554	K	78.4	Confident	70.7	Confident	59 Å²	59	54.8 Å²	54.8	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-39.6	172.3	-166.4	-175.5	-172.7	-173.4	0	111.9	E365 T551 S552 E556 H557 L558	E365-K554 IonicContact OE1-NZ 3.4Å; E365-K554 PolarHBondContact OE1-NZ 3.24Å; E365-K554 VanDerWaalsContact OE2-CE 3.31Å; E365-K554 WeakPolarHBondContact OE2-CE 3.2Å; E365-K554 IonicContact OE2-NZ 2.67Å; E365-K554 PolarHBondContact OE2-NZ 2.91Å; T551-K554 PolarHBondContact O-N 3.46Å; S552-K554 VanDerWaalsContact C-N 3.29Å; S552-K554 PolarHBondContact O-N 3.34Å; K554-E556 VanDerWaalsContact C-N 3.35Å; K554-H557 PolarHBondContact O-N 3.22Å; K554-L558 HydrophobicContact CG-CD1 4.05Å; K554-L558 WeakPolarHBondContact O-CB 3.49Å; K554-L558 WeakPolarHBondContact O-CD1 3.48Å; K554-L558 VanDerWaalsContact O-CG 3.26Å; K554-L558 WeakPolarHBondContact O-CG 3.3Å; K554-L558 PolarHBondContact O-N 2.71Å
555	L	79.3	Confident	69.8	Low	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-35.2	176.8	-68.9	169.1	0	0	0	111.7	F445 V544 K550 S552 M559	F445-L555 HydrophobicContact CD1-CD1 4.12Å; F445-L555 HydrophobicContact CD2-CD1 4.2Å; F445-L555 HydrophobicContact CE1-CD1 4.28Å; F445-L555 HydrophobicContact CE2-CD1 4.36Å; F445-L555 HydrophobicContact CG-CD1 4.09Å; F445-L555 HydrophobicContact CZ-CD1 4.39Å; V544-L555 HydrophobicContact CG2-CD1 4.1Å; V544-L555 HydrophobicContact CG2-CD2 3.58Å; K550-L555 HydrophobicContact CD-CD1 4.29Å; K550-L555 HydrophobicContact CD-CD2 3.71Å; K550-L555 HydrophobicContact CD-CG 3.86Å; S552-L555 WeakPolarHBondContact O-CB 3.27Å; S552-L555 PolarHBondContact O-N 2.99Å; L555-M559 WeakPolarHBondContact O-CB 3.37Å; L555-M559 PolarHBondContact O-N 2.81Å
556	E	80.3	Confident	69.3	Low	37 Å²	37	51 Å²	51	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-38.3	176.3	-67.8	165.3	-163	0	0	111.7	L447 W515 K516 T517 S552 D553 K554 T560	L447-E556 HydrophobicContact CD2-CG 4.42Å; W515-E556 HydrophobicContact CB-CB 4.33Å; W515-E556 HydrophobicContact CB-CG 4.47Å; W515-E556 WeakPolarHBondContact O-CB 3.47Å; W515-E556 VanDerWaalsContact O-CG 3.28Å; W515-E556 WeakPolarHBondContact O-CG 3.47Å; K516-E556 WeakPolarHBondContact CA-OE1 3.47Å; T517-E556 VanDerWaalsContact CB-OE1 3.3Å; T517-E556 WeakPolarHBondContact CB-OE1 3.42Å; T517-E556 PolarHBondContact N-OE1 3.05Å; T517-E556 PolarHBondContact OG1-OE1 3.37Å; S552-E556 WeakPolarHBondContact CB-OE1 3.32Å; S552-E556 WeakPolarHBondContact O-CG 3.46Å; S552-E556 PolarHBondContact O-N 3.27Å; D553-E556 PolarHBondContact O-N 3.03Å; K554-E556 VanDerWaalsContact C-N 3.35Å; E556-T560 PolarHBondContact O-N 2.9Å; E556-T560 PolarHBondContact O-OG1 2.94Å
557	H	76	Confident	68.9	Low	66 Å²	66	46 Å²	46	31%	0.306	23%	0.228	S	C	.	.	H	α-helix	trans	-64.2	-55.2	170.3	-170.8	98.1	0	0	0	111.9	D553 K554 M559 T560 Q561	D553-H557 WeakPolarHBondContact O-CB 3.49Å; D553-H557 PolarHBondContact O-N 2.78Å; K554-H557 PolarHBondContact O-N 3.22Å; H557-M559 VanDerWaalsContact C-N 3.28Å; H557-M559 PolarHBondContact O-N 2.89Å; H557-T560 WeakPolarHBondContact O-CA 3.3Å; H557-T560 WeakPolarHBondContact O-CB 3.45Å; H557-T560 PolarHBondContact O-N 2.89Å; H557-Q561 PolarHBondContact O-N 3.44Å
558	L	77.1	Confident	68.7	Low	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-42	179.4	-74.6	162.9	0	0	0	111.7	Q362 F363 I366 K554 T560 Q561 I562	Q362-L558 HydrophobicContact CB-CD2 3.72Å; F363-L558 HydrophobicContact CD1-CD2 4.04Å; F363-L558 HydrophobicContact CE1-CD2 3.93Å; F363-L558 HydrophobicContact CZ-CD2 4.48Å; I366-L558 HydrophobicContact CD1-CB 4.16Å; I366-L558 HydrophobicContact CD1-CD1 4.3Å; K554-L558 HydrophobicContact CG-CD1 4.05Å; K554-L558 WeakPolarHBondContact O-CB 3.49Å; K554-L558 WeakPolarHBondContact O-CD1 3.48Å; K554-L558 VanDerWaalsContact O-CG 3.26Å; K554-L558 WeakPolarHBondContact O-CG 3.3Å; K554-L558 PolarHBondContact O-N 2.71Å; L558-T560 VanDerWaalsContact C-N 3.27Å; L558-T560 PolarHBondContact O-N 3.02Å; L558-Q561 WeakPolarHBondContact O-CB 3.46Å; L558-Q561 PolarHBondContact O-N 2.91Å; L558-Q561 VanDerWaalsContact O-N 3.14Å; L558-I562 WeakPolarHBondContact O-CG1 3.46Å; L558-I562 PolarHBondContact O-N 3.43Å
559	M	80.4	Confident	68.4	Low	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-34.7	176.3	-173.6	57	-141.3	0	0	113	I348 I372 L447 W515 V540 I542 L555 H557 Q561 I562 E563	I348-M559 HydrophobicContact CD1-CE 3.84Å; I372-M559 HydrophobicContact CD1-CE 3.73Å; I372-M559 HydrophobicContact CG1-CE 3.91Å; L447-M559 HydrophobicContact CD1-CB 3.6Å; L447-M559 HydrophobicContact CD1-CG 3.93Å; W515-M559 HydrophobicContact CD2-CG 3.77Å; W515-M559 HydrophobicContact CE3-CG 4.42Å; W515-M559 HydrophobicContact CG-CB 4.16Å; W515-M559 HydrophobicContact CG-CG 3.82Å; W515-M559 HydrophobicContact CZ2-CE 4.09Å; W515-M559 HydrophobicContact CZ2-CG 4.4Å; V540-M559 HydrophobicContact CB-CE 4.36Å; V540-M559 HydrophobicContact CB-SD 4.49Å; V540-M559 HydrophobicContact CG1-CE 3.97Å; V540-M559 HydrophobicContact CG1-CG 3.94Å; V540-M559 HydrophobicContact CG1-SD 3.7Å; V540-M559 HydrophobicContact CG2-CE 3.98Å; V540-M559 HydrophobicContact CG2-SD 4.09Å; I542-M559 HydrophobicContact CD1-CB 3.75Å; I542-M559 HydrophobicContact CD1-CG 3.98Å; I542-M559 HydrophobicContact CD1-SD 3.65Å; I542-M559 HydrophobicContact CG1-SD 4.21Å; L555-M559 WeakPolarHBondContact O-CB 3.37Å; L555-M559 PolarHBondContact O-N 2.81Å; H557-M559 VanDerWaalsContact C-N 3.28Å; H557-M559 PolarHBondContact O-N 2.89Å; M559-Q561 VanDerWaalsContact C-N 3.31Å; M559-Q561 PolarHBondContact O-N 2.85Å; M559-I562 HydrophobicContact CE-CB 4.48Å; M559-I562 PolarHBondContact O-N 2.92Å; M559-I562 HydrophobicContact SD-CB 4.31Å; M559-I562 HydrophobicContact SD-CD1 4.17Å; M559-E563 HydrophobicContact CE-CB 4.16Å; M559-E563 VanDerWaalsContact O-CB 3.31Å; M559-E563 WeakPolarHBondContact O-CB 3.49Å; M559-E563 PolarHBondContact O-N 3Å
560	T	74.8	Confident	68.4	Low	23 Å²	23	30.7 Å²	30.7	14%	0.141	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-35.4	176.9	-48.8	0	0	0	0	111.2	E556 H557 L558 S564 I967	E556-T560 PolarHBondContact O-N 2.9Å; E556-T560 PolarHBondContact O-OG1 2.94Å; H557-T560 WeakPolarHBondContact O-CA 3.3Å; H557-T560 WeakPolarHBondContact O-CB 3.45Å; H557-T560 PolarHBondContact O-N 2.89Å; L558-T560 VanDerWaalsContact C-N 3.27Å; L558-T560 PolarHBondContact O-N 3.02Å; T560-S564 PolarHBondContact O-N 3.2Å; T560-I967 HydrophobicContact CG2-CD1 3.85Å
561	Q	70.6	Confident	68.4	Low	16 Å²	16	28.7 Å²	28.7	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-69.9	-45.7	171.6	-60	168.4	-48.8	0	0	111.7	D360 F363 H557 L558 M559 E563 S564 L565 I967	D360-Q561 PolarHBondContact OD2-NE2 3.45Å; F363-Q561 HydrophobicContact CE1-CB 4.24Å; F363-Q561 HydrophobicContact CZ-CB 3.66Å; H557-Q561 PolarHBondContact O-N 3.44Å; L558-Q561 WeakPolarHBondContact O-CB 3.46Å; L558-Q561 PolarHBondContact O-N 2.91Å; L558-Q561 VanDerWaalsContact O-N 3.14Å; M559-Q561 VanDerWaalsContact C-N 3.31Å; M559-Q561 PolarHBondContact O-N 2.85Å; Q561-E563 VanDerWaalsContact C-N 3.25Å; Q561-E563 PolarHBondContact O-N 3.4Å; Q561-S564 WeakPolarHBondContact O-CB 3.27Å; Q561-S564 PolarHBondContact O-N 2.81Å; Q561-S564 PolarHBondContact O-OG 2.82Å; Q561-L565 PolarHBondContact O-N 3.29Å; Q561-I967 HydrophobicContact CG-CG2 4.36Å
562	I	75.2	Confident	68.5	Low	2 Å²	2	24.2 Å²	24.2	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-56.4	-43.1	175.2	-59.9	165.1	0	0	0	110.5	I348 L353 F363 I366 L558 M559 S564 L565 A566	I348-I562 HydrophobicContact CD1-CG2 3.99Å; I348-I562 HydrophobicContact CG2-CG2 3.93Å; L353-I562 HydrophobicContact CD2-CD1 3.82Å; L353-I562 HydrophobicContact CD2-CG1 3.84Å; L353-I562 HydrophobicContact CD2-CG2 4.35Å; L353-I562 HydrophobicContact CG-CG2 4.49Å; F363-I562 HydrophobicContact CD1-CG1 4.25Å; F363-I562 HydrophobicContact CE1-CG1 3.76Å; I366-I562 HydrophobicContact CD1-CD1 3.78Å; L558-I562 WeakPolarHBondContact O-CG1 3.46Å; L558-I562 PolarHBondContact O-N 3.43Å; M559-I562 HydrophobicContact CE-CB 4.48Å; M559-I562 PolarHBondContact O-N 2.92Å; M559-I562 HydrophobicContact SD-CB 4.31Å; M559-I562 HydrophobicContact SD-CD1 4.17Å; I562-S564 VanDerWaalsContact C-N 3.26Å; I562-S564 PolarHBondContact O-N 3.33Å; I562-L565 WeakPolarHBondContact O-CB 3.41Å; I562-L565 PolarHBondContact O-N 2.88Å; I562-A566 PolarHBondContact O-N 3.12Å
563	E	73.9	Confident	68.8	Low	5 Å²	5	22.5 Å²	22.5	2%	0.023	12%	0.119	C	C	.	.	H	α-helix	trans	-58.7	-38.8	176.8	172	155.8	-147.1	0	0	111.8	I372 K455 W515 R538 M559 Q561 L565 A566 Y567	I372-E563 HydrophobicContact CD1-CB 4.39Å; I372-E563 HydrophobicContact CD1-CG 4.28Å; K455-E563 IonicContact NZ-OE1 3.67Å; K455-E563 PolarHBondContact NZ-OE1 3.34Å; W515-E563 WeakPolarHBondContact CZ2-OE2 3.47Å; W515-E563 PolarHBondContact NE1-OE2 3.27Å; R538-E563 IonicContact CZ-OE1 3.09Å; R538-E563 VanDerWaalsContact NH1-CD 3.33Å; R538-E563 IonicContact NH1-OE1 3.67Å; R538-E563 PolarHBondContact NH1-OE1 2.78Å; R538-E563 IonicContact NH1-OE2 3.39Å; R538-E563 PolarHBondContact NH1-OE2 3.42Å; R538-E563 VanDerWaalsContact NH1-OE2 3.12Å; R538-E563 IonicContact NH2-OE1 2.78Å; R538-E563 PolarHBondContact NH2-OE1 3.18Å; M559-E563 HydrophobicContact CE-CB 4.16Å; M559-E563 VanDerWaalsContact O-CB 3.31Å; M559-E563 WeakPolarHBondContact O-CB 3.49Å; M559-E563 PolarHBondContact O-N 3Å; Q561-E563 VanDerWaalsContact C-N 3.25Å; Q561-E563 PolarHBondContact O-N 3.4Å; E563-L565 VanDerWaalsContact C-N 3.32Å; E563-L565 PolarHBondContact O-N 3.27Å; E563-A566 PolarHBondContact O-N 2.73Å; E563-Y567 HydrophobicContact CG-CD2 4.13Å; E563-Y567 HydrophobicContact CG-CE2 3.72Å; E563-Y567 WeakPolarHBondContact O-CD2 3.32Å
564	S	66	Low	69.1	Low	10 Å²	10	17.6 Å²	17.6	7%	0.07	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-37.3	178.3	80.6	0	0	0	0	112.8	T560 Q561 I562 A566 Y567 S568 L969	T560-S564 PolarHBondContact O-N 3.2Å; Q561-S564 WeakPolarHBondContact O-CB 3.27Å; Q561-S564 PolarHBondContact O-N 2.81Å; Q561-S564 PolarHBondContact O-OG 2.82Å; I562-S564 VanDerWaalsContact C-N 3.26Å; I562-S564 PolarHBondContact O-N 3.33Å; S564-A566 PolarHBondContact O-N 2.82Å; S564-Y567 WeakPolarHBondContact O-CA 3.49Å; S564-Y567 PolarHBondContact O-N 3.17Å; S564-S568 PolarHBondContact O-N 3.41Å; S564-S568 VanDerWaalsContact O-N 3.08Å; S564-S568 PolarHBondContact O-OG 3.25Å; S564-L969 WeakPolarHBondContact OG-CD2 3.36Å
565	L	63.9	Low	69.5	Low	16 Å²	16	14.9 Å²	14.9	8%	0.084	8%	0.081	C	C	.	.	H	α-helix	trans	-61.3	-31.1	177.2	-55.4	174.5	0	0	0	112.2	A356 Q561 I562 E563 Y567 L634	A356-L565 HydrophobicContact CB-CD1 3.61Å; Q561-L565 PolarHBondContact O-N 3.29Å; I562-L565 WeakPolarHBondContact O-CB 3.41Å; I562-L565 PolarHBondContact O-N 2.88Å; E563-L565 VanDerWaalsContact C-N 3.32Å; E563-L565 PolarHBondContact O-N 3.27Å; L565-Y567 PolarHBondContact O-N 3.25Å; L565-L634 HydrophobicContact CD2-CD1 4.29Å; L565-L634 HydrophobicContact CD2-CD2 3.83Å
566	A	63.9	Low	69.9	Low	2 Å²	2	14.9 Å²	14.9	2%	0.017	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.7	176.7	0	0	0	0	0	113.5	R226 I346 I348 W352 I562 E563 S564	R226-A566 PolarHBondContact NH2-O 3.46Å; I346-A566 HydrophobicContact CG2-CB 4.37Å; I348-A566 HydrophobicContact CG1-CB 4.37Å; W352-A566 HydrophobicContact CZ3-CB 4.05Å; I562-A566 PolarHBondContact O-N 3.12Å; E563-A566 PolarHBondContact O-N 2.73Å; S564-A566 PolarHBondContact O-N 2.82Å
567	Y	58.7	Low	70.3	Confident	27 Å²	27	13.3 Å²	13.3	11%	0.106	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-18.2	177.7	-65.7	-61.1	0	0	0	114	P86 D87 I346 K455 I510 E563 S564 L565	P86-Y567 HydrophobicContact CB-CD1 3.82Å; P86-Y567 HydrophobicContact CB-CE1 4.11Å; P86-Y567 HydrophobicContact CB-CG 4.11Å; P86-Y567 WeakPolarHBondContact O-CD1 3.43Å; P86-Y567 WeakPolarHBondContact O-CE1 3.36Å; D87-Y567 HydrophobicContact CB-CE1 4.39Å; I346-Y567 WeakPolarHBondContact CD1-OH 3.37Å; K455-Y567 PolarHBondContact NZ-OH 2.91Å; I510-Y567 HydrophobicContact CD1-CD2 3.45Å; I510-Y567 VanDerWaalsContact CD1-CD2 3.45Å; I510-Y567 HydrophobicContact CD1-CE2 4.31Å; I510-Y567 HydrophobicContact CD1-CG 4.03Å; E563-Y567 HydrophobicContact CG-CD2 4.13Å; E563-Y567 HydrophobicContact CG-CE2 3.72Å; E563-Y567 WeakPolarHBondContact O-CD2 3.32Å; S564-Y567 WeakPolarHBondContact O-CA 3.49Å; S564-Y567 PolarHBondContact O-N 3.17Å; L565-Y567 PolarHBondContact O-N 3.25Å
568	S	55.3	Low	71	Confident	15 Å²	15	12.2 Å²	12.2	11%	0.105	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-53.1	132	175.8	-52.1	0	0	0	0	112.4	S564 L634	S564-S568 PolarHBondContact O-N 3.41Å; S564-S568 VanDerWaalsContact O-N 3.08Å; S564-S568 PolarHBondContact O-OG 3.25Å; S568-L634 WeakPolarHBondContact OG-CD2 3.36Å
569	P	51	Low	71.4	Confident	55 Å²	55	14.5 Å²	14.5	36%	0.357	8%	0.081	S	C	.	.	P	Polyproline II helix	trans	-74.7	150.9	175.9	27.2	-28.1	0	0	0	111.3	M633	P569-M633 HydrophobicContact CG-CB 4.16Å; P569-M633 PolarHBondContact O-N 3.2Å
570	P	53.4	Low	71.5	Confident	30 Å²	30	17.2 Å²	17.2	20%	0.195	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	140	174.1	35.2	-36.3	0	0	0	110.8	E593	P570-E593 HydrophobicContact CB-CG 4.23Å; P570-E593 PolarHBondContact O-N 3.11Å
571	G	56.9	Low	71.6	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	170.1	175	0	0	0	0	0	111.8	Y591 H630 I631	G571-Y591 CarbonylContact C-O 3.55Å; G571-Y591 WeakPolarHBondContact CA-O 3.48Å; G571-H630 CarbonylContact O-C 3.51Å; G571-H630 WeakPolarHBondContact O-CA 3.44Å; G571-I631 CarbonylContact C-O 3.56Å; G571-I631 PolarHBondContact N-O 3.13Å; G571-I631 PolarHBondContact O-N 3.26Å
572	A	63.5	Low	71.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.6	-180	0	0	0	0	0	110	L574 V590 Y591 L596 I628 N629	A572-L574 PolarHBondContact O-N 3.24Å; A572-V590 WeakPolarHBondContact O-CA 3.45Å; A572-Y591 PolarHBondContact N-O 3.43Å; A572-Y591 PolarHBondContact O-N 3.14Å; A572-L596 HydrophobicContact CB-CD1 4.1Å; A572-L596 HydrophobicContact CB-CD2 3.62Å; A572-L596 HydrophobicContact CB-CG 4.45Å; A572-I628 HydrophobicContact CB-CG2 3.91Å; A572-N629 WeakPolarHBondContact CA-O 3.3Å
573	I	74.8	Confident	72.2	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	113.3	177.9	-48	168	0	0	0	108.3	V590 I628 N629 I631 L639 I871 L999	I573-V590 HydrophobicContact CG1-CG1 4.48Å; I573-V590 HydrophobicContact CG1-CG2 4.11Å; I573-I628 VanDerWaalsContact O-CG2 3.31Å; I573-I628 WeakPolarHBondContact O-CG2 3.35Å; I573-N629 HydrophobicContact CD1-CB 4.28Å; I573-N629 PolarHBondContact N-O 3.4Å; I573-I631 HydrophobicContact CD1-CB 4.27Å; I573-I631 HydrophobicContact CD1-CD1 4.08Å; I573-I631 HydrophobicContact CD1-CG2 4.14Å; I573-I631 HydrophobicContact CG1-CB 4.3Å; I573-I631 HydrophobicContact CG1-CG2 3.69Å; I573-L639 HydrophobicContact CD1-CD1 3.99Å; I573-L639 HydrophobicContact CG1-CD1 4.26Å; I573-L639 HydrophobicContact CG2-CD1 4.35Å; I573-I871 HydrophobicContact CB-CD1 4.47Å; I573-I871 HydrophobicContact CG2-CD1 3.62Å; I573-L999 HydrophobicContact CD1-CD2 3.7Å
574	L	78.5	Confident	72.9	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.4	-180	-175	66.5	0	0	0	109.8	A572 A588 N589 Y591 L596 V599 I600 L603 P610	A572-L574 PolarHBondContact O-N 3.24Å; L574-A588 WeakPolarHBondContact O-CA 3.48Å; L574-N589 PolarHBondContact N-O 2.92Å; L574-N589 PolarHBondContact O-N 3.16Å; L574-N589 VanDerWaalsContact O-N 3.08Å; L574-Y591 HydrophobicContact CB-CD2 3.93Å; L574-Y591 HydrophobicContact CB-CE2 4.07Å; L574-Y591 HydrophobicContact CD2-CD2 4.17Å; L574-Y591 HydrophobicContact CD2-CE2 4.01Å; L574-L596 HydrophobicContact CB-CD1 4.38Å; L574-L596 HydrophobicContact CD2-CD1 4.28Å; L574-V599 HydrophobicContact CD2-CG1 3.97Å; L574-I600 HydrophobicContact CD1-CD1 4.2Å; L574-I600 HydrophobicContact CD1-CG1 4.08Å; L574-I600 HydrophobicContact CD2-CG1 3.7Å; L574-L603 HydrophobicContact CD2-CD1 3.54Å; L574-P610 HydrophobicContact CD1-CB 4.11Å
575	I	85.5	Confident	74	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.3	169.9	-56.2	-161	0	0	0	109.3	I586 M587 A588 P610 L611 L641 V869 I871 Y1002	I575-I586 HydrophobicContact CG2-CG2 3.58Å; I575-M587 CarbonylContact C-O 3.44Å; I575-M587 WeakPolarHBondContact CA-O 3.35Å; I575-A588 HydrophobicContact CB-CB 4.5Å; I575-A588 HydrophobicContact CD1-CB 4.02Å; I575-A588 HydrophobicContact CG1-CB 3.77Å; I575-A588 HydrophobicContact CG2-CB 4.5Å; I575-P610 WeakPolarHBondContact O-CA 3.24Å; I575-L611 HydrophobicContact CG2-CD1 3.75Å; I575-L611 HydrophobicContact CG2-CG 4.26Å; I575-L611 PolarHBondContact O-N 2.79Å; I575-L641 HydrophobicContact CD1-CD2 4.21Å; I575-V869 HydrophobicContact CD1-CG1 3.96Å; I575-I871 HydrophobicContact CD1-CD1 3.56Å; I575-I871 HydrophobicContact CD1-CG1 3.8Å; I575-I871 HydrophobicContact CG1-CD1 4.16Å; I575-Y1002 HydrophobicContact CD1-CD2 4.19Å; I575-Y1002 HydrophobicContact CD1-CE2 4.22Å
576	C	87.2	Confident	75.1	Confident	1 Å²	1	25 Å²	25	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.9	176.4	-52.1	0	0	0	0	112	I586 M587 F608 I609	C576-I586 WeakPolarHBondContact O-CA 3.35Å; C576-M587 HydrophobicContact CB-CE 4.28Å; C576-M587 PolarHBondContact N-O 3.46Å; C576-M587 PolarHBondContact O-N 2.99Å; C576-F608 HydrophobicContact CB-CB 3.91Å; C576-F608 HydrophobicContact CB-CD1 3.95Å; C576-F608 HydrophobicContact CB-CG 4.39Å; C576-I609 CarbonylContact C-O 3.58Å; C576-I609 VanDerWaalsContact CA-O 3.31Å; C576-I609 WeakPolarHBondContact CA-O 3.37Å
577	L	89.7	Confident	76.2	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.1	172.1	179.6	68.4	0	0	0	110	L579 Q585 I586 I609 L611 I744 I1004 I1006	L577-L579 HydrophobicContact CD1-CD2 3.92Å; L577-L579 HydrophobicContact CD1-CG 4.45Å; L577-L579 HydrophobicContact CD2-CD1 4.03Å; L577-L579 HydrophobicContact CD2-CD2 4.03Å; L577-L579 HydrophobicContact CD2-CG 3.99Å; L577-L579 HydrophobicContact CG-CD2 3.96Å; L577-L579 HydrophobicContact CG-CG 3.96Å; L577-Q585 CarbonylContact C-O 3.46Å; L577-Q585 WeakPolarHBondContact CA-O 3.39Å; L577-I586 HydrophobicContact CD1-CD1 4.13Å; L577-I586 HydrophobicContact CD1-CG1 3.61Å; L577-I609 PolarHBondContact N-O 2.91Å; L577-I609 PolarHBondContact O-N 2.76Å; L577-L611 HydrophobicContact CB-CD2 3.87Å; L577-L611 HydrophobicContact CB-CG 4.4Å; L577-L611 HydrophobicContact CD2-CD2 4.49Å; L577-I744 HydrophobicContact CD1-CD1 4.16Å; L577-I1004 HydrophobicContact CD2-CG2 4.22Å; L577-I1006 HydrophobicContact CD2-CD1 4.42Å; L577-I1006 HydrophobicContact CD2-CG1 4.17Å
578	H	89.8	Confident	77.4	Confident	43 Å²	43	24 Å²	24	20%	0.199	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.2	172.4	170.3	-124.6	0	0	0	108.6	W584 Q585 F608	H578-W584 WeakPolarHBondContact O-CA 3.34Å; H578-Q585 HydrophobicContact CB-CB 4.41Å; H578-Q585 PolarHBondContact N-O 2.98Å; H578-Q585 PolarHBondContact ND1-OE1 3Å; H578-Q585 PolarHBondContact O-N 2.96Å; H578-F608 HydrophobicContact CB-CD1 3.66Å; H578-F608 HydrophobicContact CB-CE1 3.64Å; H578-F608 HydrophobicContact CB-CG 4.19Å; H578-F608 HydrophobicContact CB-CZ 4.16Å
579	L	86.6	Confident	78.5	Confident	48 Å²	48	23.5 Å²	23.5	25%	0.251	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.3	-174.2	-64.3	176.9	0	0	0	111	L577 W584 I1006	L577-L579 HydrophobicContact CD1-CD2 3.92Å; L577-L579 HydrophobicContact CD1-CG 4.45Å; L577-L579 HydrophobicContact CD2-CD1 4.03Å; L577-L579 HydrophobicContact CD2-CD2 4.03Å; L577-L579 HydrophobicContact CD2-CG 3.99Å; L577-L579 HydrophobicContact CG-CD2 3.96Å; L577-L579 HydrophobicContact CG-CG 3.96Å; L579-W584 HydrophobicContact CD2-CB 3.87Å; L579-W584 HydrophobicContact CD2-CD2 3.78Å; L579-W584 HydrophobicContact CD2-CE3 4.38Å; L579-W584 HydrophobicContact CD2-CG 3.49Å; L579-W584 VanDerWaalsContact CD2-CG 3.49Å; L579-I1006 HydrophobicContact CD1-CG1 4.3Å; L579-I1006 HydrophobicContact CD1-CG2 4.02Å; L579-I1006 HydrophobicContact CD2-CD1 3.99Å
580	T	83.3	Confident	79.4	Confident	57 Å²	57	21.1 Å²	21.1	35%	0.35	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	161.6	166.6	74.2	0	0	0	0	109.9	N582 N583 W584	T580-N582 PolarHBondContact O-N 2.85Å; T580-N583 PolarHBondContact N-O 2.91Å; T580-N583 PolarHBondContact O-N 3.22Å; T580-N583 WeakPolarHBondContact OG1-CB 3.21Å; T580-N583 PolarHBondContact OG1-N 3.06Å; T580-N583 VanDerWaalsContact OG1-N 3.16Å; T580-N583 PolarHBondContact OG1-O 3.18Å; T580-W584 VanDerWaalsContact O-CD1 3.27Å; T580-W584 PolarHBondContact O-NE1 2.82Å
581	A	76.6	Confident	80	Confident	76 Å²	76	21.1 Å²	21.1	63%	0.628	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.4	-174.5	0	0	0	0	0	115.5
582	N	76.3	Confident	80	Confident	89 Å²	89	23.1 Å²	23.1	48%	0.476	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	4.2	-178.9	-69.2	-80.7	0	0	0	113.7	T580	T580-N582 PolarHBondContact O-N 2.85Å
583	N	81.4	Confident	79.5	Confident	36 Å²	36	23.6 Å²	23.6	19%	0.193	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	123.5	-178.9	-162.1	8.5	0	0	0	111.1	T580 Q585 E743	T580-N583 PolarHBondContact N-O 2.91Å; T580-N583 PolarHBondContact O-N 3.22Å; T580-N583 WeakPolarHBondContact OG1-CB 3.21Å; T580-N583 PolarHBondContact OG1-N 3.06Å; T580-N583 VanDerWaalsContact OG1-N 3.16Å; T580-N583 PolarHBondContact OG1-O 3.18Å; N583-Q585 PolarHBondContact ND2-NE2 3.2Å; N583-E743 PolarHBondContact ND2-OE1 3.45Å; N583-E743 VanDerWaalsContact OD1-CD 3.25Å; N583-E743 PolarHBondContact OD1-OE1 3.18Å; N583-E743 PolarHBondContact OD1-OE2 3.49Å
584	W	87.9	Confident	78.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.9	173.6	-58.4	-4.8	0	0	0	108.2	H578 L579 T580 E743 I744 P746 I1006 I1010 V1011 Y1014	H578-W584 WeakPolarHBondContact O-CA 3.34Å; L579-W584 HydrophobicContact CD2-CB 3.87Å; L579-W584 HydrophobicContact CD2-CD2 3.78Å; L579-W584 HydrophobicContact CD2-CE3 4.38Å; L579-W584 HydrophobicContact CD2-CG 3.49Å; L579-W584 VanDerWaalsContact CD2-CG 3.49Å; T580-W584 VanDerWaalsContact O-CD1 3.27Å; T580-W584 PolarHBondContact O-NE1 2.82Å; W584-E743 WeakPolarHBondContact O-CA 3.43Å; W584-I744 HydrophobicContact CB-CD1 4.46Å; W584-I744 HydrophobicContact CB-CG1 3.91Å; W584-I744 PolarHBondContact O-N 2.58Å; W584-P746 HydrophobicContact CH2-CB 4.2Å; W584-P746 HydrophobicContact CH2-CG 3.72Å; W584-P746 HydrophobicContact CZ2-CG 4.49Å; W584-P746 HydrophobicContact CZ3-CB 4.12Å; W584-P746 HydrophobicContact CZ3-CG 3.9Å; W584-I1006 HydrophobicContact CD2-CD1 4.31Å; W584-I1006 HydrophobicContact CE3-CD1 3.61Å; W584-I1006 HydrophobicContact CH2-CD1 4.14Å; W584-I1006 HydrophobicContact CH2-CG2 4.45Å; W584-I1006 HydrophobicContact CZ3-CD1 3.5Å; W584-I1010 HydrophobicContact CZ2-CG2 4.04Å; W584-V1011 HydrophobicContact CH2-CB 4.16Å; W584-V1011 HydrophobicContact CH2-CG1 4.14Å; W584-V1011 HydrophobicContact CH2-CG2 3.87Å; W584-Y1014 AromaticContact CE2-CD2 3.87Å; W584-Y1014 HydrophobicContact CZ2-CD2 4.14Å; W584-Y1014 AromaticContact CZ2-CG 3.98Å; W584-Y1014 HydrophobicContact CZ2-CG 3.98Å; W584-Y1014 AromaticContact NE1-CD2 3.62Å
585	Q	88.8	Confident	77.3	Confident	35 Å²	35	33.8 Å²	33.8	16%	0.164	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.4	-173.6	-73.6	175.6	-26.5	0	0	110.3	L577 H578 N583 I741 V742 E743	L577-Q585 CarbonylContact C-O 3.46Å; L577-Q585 WeakPolarHBondContact CA-O 3.39Å; H578-Q585 HydrophobicContact CB-CB 4.41Å; H578-Q585 PolarHBondContact N-O 2.98Å; H578-Q585 PolarHBondContact ND1-OE1 3Å; H578-Q585 PolarHBondContact O-N 2.96Å; N583-Q585 PolarHBondContact ND2-NE2 3.2Å; Q585-I741 HydrophobicContact CB-CG2 4.21Å; Q585-I741 HydrophobicContact CG-CG2 4.27Å; Q585-V742 CarbonylContact C-O 3.4Å; Q585-V742 WeakPolarHBondContact CA-O 3.43Å; Q585-E743 HydrophobicContact CG-CG 4.09Å; Q585-E743 PolarHBondContact NE2-OE1 3.34Å
586	I	88.1	Confident	76.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.6	167.4	-70.4	-179.7	0	0	0	107.7	I575 C576 L577 L641 F643 V742 I744 V869 I1004	I575-I586 HydrophobicContact CG2-CG2 3.58Å; C576-I586 WeakPolarHBondContact O-CA 3.35Å; L577-I586 HydrophobicContact CD1-CD1 4.13Å; L577-I586 HydrophobicContact CD1-CG1 3.61Å; I586-L641 HydrophobicContact CG2-CD2 4.48Å; I586-F643 HydrophobicContact CB-CE1 4.29Å; I586-F643 HydrophobicContact CD1-CD1 4.38Å; I586-F643 HydrophobicContact CD1-CE1 3.85Å; I586-F643 HydrophobicContact CG2-CE1 4.23Å; I586-V742 PolarHBondContact N-O 2.82Å; I586-V742 PolarHBondContact O-N 2.96Å; I586-I744 HydrophobicContact CD1-CD1 3.68Å; I586-I744 HydrophobicContact CD1-CG1 4.49Å; I586-I744 HydrophobicContact CG1-CD1 3.97Å; I586-I744 HydrophobicContact CG1-CG1 4.4Å; I586-V869 HydrophobicContact CD1-CG2 3.78Å; I586-V869 HydrophobicContact CG2-CG2 4.47Å; I586-I1004 HydrophobicContact CD1-CD1 3.8Å; I586-I1004 HydrophobicContact CD1-CG1 4.31Å
587	M	86.5	Confident	74.8	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.039	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.1	169.4	-176.5	-157.2	73	0	0	108.6	I575 C576 L603 F608 C740 I741	I575-M587 CarbonylContact C-O 3.44Å; I575-M587 WeakPolarHBondContact CA-O 3.35Å; C576-M587 HydrophobicContact CB-CE 4.28Å; C576-M587 PolarHBondContact N-O 3.46Å; C576-M587 PolarHBondContact O-N 2.99Å; M587-L603 HydrophobicContact CE-CD1 3.64Å; M587-L603 HydrophobicContact CE-CD2 3.69Å; M587-L603 HydrophobicContact CE-CG 4.34Å; M587-L603 HydrophobicContact SD-CD2 3.79Å; M587-F608 HydrophobicContact CB-CD1 4.22Å; M587-F608 HydrophobicContact CB-CE1 3.78Å; M587-F608 HydrophobicContact SD-CE1 4.47Å; M587-C740 CarbonylContact C-O 3.56Å; M587-C740 VanDerWaalsContact CA-O 3.31Å; M587-C740 WeakPolarHBondContact CA-O 3.32Å; M587-I741 HydrophobicContact CB-CG1 4.14Å; M587-I741 HydrophobicContact CG-CG1 3.9Å
588	A	84.5	Confident	73.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.7	169	0	0	0	0	0	110.8	L574 I575 L641 I729 C740	L574-A588 WeakPolarHBondContact O-CA 3.48Å; I575-A588 HydrophobicContact CB-CB 4.5Å; I575-A588 HydrophobicContact CD1-CB 4.02Å; I575-A588 HydrophobicContact CG1-CB 3.77Å; I575-A588 HydrophobicContact CG2-CB 4.5Å; A588-L641 HydrophobicContact CB-CD1 4.38Å; A588-L641 HydrophobicContact CB-CD2 3.69Å; A588-L641 HydrophobicContact CB-CG 4.5Å; A588-I729 HydrophobicContact CB-CD1 3.64Å; A588-C740 PolarHBondContact N-O 3.49Å; A588-C740 PolarHBondContact O-N 2.9Å
589	N	77.5	Confident	72.5	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	163.9	175.7	-162.4	12.5	0	0	0	110.7	L574 Y591 T738	L574-N589 PolarHBondContact N-O 2.92Å; L574-N589 PolarHBondContact O-N 3.16Å; L574-N589 VanDerWaalsContact O-N 3.08Å; N589-Y591 HydrophobicContact CB-CD2 4.38Å; N589-Y591 HydrophobicContact CB-CE1 4.49Å; N589-Y591 HydrophobicContact CB-CE2 3.66Å; N589-Y591 WeakPolarHBondContact ND2-CE1 3.42Å; N589-Y591 PolarHBondContact ND2-OH 2.76Å; N589-T738 PolarHBondContact OD1-O 3.35Å; N589-T738 PolarHBondContact OD1-OG1 2.96Å
590	V	70.3	Confident	71.8	Confident	5 Å²	5	40 Å²	40	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.2	169.1	-167.3	0	0	0	0	108.3	A572 I573 I631 M633 L637 L639 L731	A572-V590 WeakPolarHBondContact O-CA 3.45Å; I573-V590 HydrophobicContact CG1-CG1 4.48Å; I573-V590 HydrophobicContact CG1-CG2 4.11Å; V590-I631 HydrophobicContact CG1-CG2 3.62Å; V590-M633 HydrophobicContact CG1-CG 4.15Å; V590-L637 HydrophobicContact CG2-CD2 4.35Å; V590-L639 HydrophobicContact CG2-CD1 3.82Å; V590-L731 HydrophobicContact CB-CD1 3.96Å; V590-L731 HydrophobicContact CG2-CD1 4.45Å
591	Y	66.2	Low	71.3	Confident	31 Å²	31	41.8 Å²	41.8	12%	0.122	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.4	176.8	-63.3	-79.1	0	0	0	109.8	G571 A572 L574 N589 E593 V599	G571-Y591 CarbonylContact C-O 3.55Å; G571-Y591 WeakPolarHBondContact CA-O 3.48Å; A572-Y591 PolarHBondContact N-O 3.43Å; A572-Y591 PolarHBondContact O-N 3.14Å; L574-Y591 HydrophobicContact CB-CD2 3.93Å; L574-Y591 HydrophobicContact CB-CE2 4.07Å; L574-Y591 HydrophobicContact CD2-CD2 4.17Å; L574-Y591 HydrophobicContact CD2-CE2 4.01Å; N589-Y591 HydrophobicContact CB-CD2 4.38Å; N589-Y591 HydrophobicContact CB-CE1 4.49Å; N589-Y591 HydrophobicContact CB-CE2 3.66Å; N589-Y591 WeakPolarHBondContact ND2-CE1 3.42Å; N589-Y591 PolarHBondContact ND2-OH 2.76Å; Y591-E593 PolarHBondContact O-N 2.9Å; Y591-V599 HydrophobicContact CD1-CB 4.44Å; Y591-V599 HydrophobicContact CD1-CG1 3.97Å; Y591-V599 HydrophobicContact CD1-CG2 3.8Å; Y591-V599 HydrophobicContact CD2-CG1 3.8Å; Y591-V599 HydrophobicContact CE1-CG1 3.76Å; Y591-V599 HydrophobicContact CE1-CG2 4Å; Y591-V599 HydrophobicContact CE2-CG1 3.58Å; Y591-V599 HydrophobicContact CG-CG1 3.98Å; Y591-V599 HydrophobicContact CG-CG2 4.27Å
592	P	55.9	Low	71.4	Confident	41 Å²	41	44.8 Å²	44.8	27%	0.266	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	137.6	164.5	-19.2	31.2	0	0	0	108.9	E594 R595 M633	P592-E594 PolarHBondContact O-N 2.77Å; P592-E594 VanDerWaalsContact O-N 3.09Å; P592-R595 PolarHBondContact O-N 3.02Å; P592-M633 HydrophobicContact CB-SD 4.09Å; P592-M633 HydrophobicContact CG-CE 4.07Å; P592-M633 HydrophobicContact CG-SD 3.86Å
593	E	54.7	Low	71.5	Confident	10 Å²	10	41.2 Å²	41.2	5%	0.047	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-51.8	-39.6	-178.5	-67.3	-179.6	174.6	0	0	110.9	Q223 P570 Y591 R595 L596 H630	Q223-E593 CarbonylContact O-C 3.53Å; Q223-E593 VanDerWaalsContact O-CB 3.27Å; Q223-E593 WeakPolarHBondContact O-CB 3.39Å; P570-E593 HydrophobicContact CB-CG 4.23Å; P570-E593 PolarHBondContact O-N 3.11Å; Y591-E593 PolarHBondContact O-N 2.9Å; E593-R595 PolarHBondContact O-N 3.17Å; E593-L596 VanDerWaalsContact O-CB 3.23Å; E593-L596 WeakPolarHBondContact O-CB 3.43Å; E593-L596 PolarHBondContact O-N 3.16Å; E593-H630 IonicContact OE1-CE1 2.73Å; E593-H630 IonicContact OE1-CG 3.21Å; E593-H630 IonicContact OE1-ND1 2.76Å; E593-H630 PolarHBondContact OE1-ND1 2.84Å
594	E	48	Very low	71.5	Confident	119 Å²	119	44.1 Å²	44.1	56%	0.556	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-56.9	-18.5	-177.9	-48.1	-169.9	162.7	0	0	114.3	Q223 T224 P592	Q223-E594 WeakPolarHBondContact O-CA 3.43Å; Q223-E594 PolarHBondContact O-N 2.92Å; T224-E594 HydrophobicContact CG2-CB 4.02Å; T224-E594 HydrophobicContact CG2-CG 4.04Å; P592-E594 PolarHBondContact O-N 2.77Å; P592-E594 VanDerWaalsContact O-N 3.09Å
595	R	59	Low	71	Confident	101 Å²	101	48.5 Å²	48.5	38%	0.381	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-111.3	-2.2	-177.7	-58.2	-169.2	67.4	-157.6	-3.2	113.3	P592 E593 E597 E598 V599	P592-R595 PolarHBondContact O-N 3.02Å; E593-R595 PolarHBondContact O-N 3.17Å; R595-E597 PolarHBondContact O-N 2.75Å; R595-E598 IonicContact NE-OE2 3.51Å; R595-E598 PolarHBondContact O-N 3.14Å; R595-V599 HydrophobicContact CB-CG2 4.36Å; R595-V599 WeakPolarHBondContact O-CB 3.09Å; R595-V599 VanDerWaalsContact O-CG2 3.24Å; R595-V599 WeakPolarHBondContact O-CG2 3.37Å; R595-V599 PolarHBondContact O-N 3.33Å
596	L	59.9	Low	70.6	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-38.4	-167.5	-169.5	61.2	0	0	0	112.6	A572 L574 E593 I600 I628	A572-L596 HydrophobicContact CB-CD1 4.1Å; A572-L596 HydrophobicContact CB-CD2 3.62Å; A572-L596 HydrophobicContact CB-CG 4.45Å; L574-L596 HydrophobicContact CB-CD1 4.38Å; L574-L596 HydrophobicContact CD2-CD1 4.28Å; E593-L596 VanDerWaalsContact O-CB 3.23Å; E593-L596 WeakPolarHBondContact O-CB 3.43Å; E593-L596 PolarHBondContact O-N 3.16Å; L596-I600 HydrophobicContact CD1-CD1 4.07Å; L596-I600 HydrophobicContact CD1-CG1 4.4Å; L596-I600 HydrophobicContact CG-CD1 3.85Å; L596-I600 WeakPolarHBondContact O-CB 3.06Å; L596-I600 VanDerWaalsContact O-CG1 3.23Å; L596-I600 WeakPolarHBondContact O-CG1 3.41Å; L596-I600 PolarHBondContact O-N 3.22Å; L596-I628 HydrophobicContact CD2-CD1 3.86Å; L596-I628 HydrophobicContact CD2-CG2 4.47Å; L596-I628 HydrophobicContact CG-CD1 4.45Å
597	E	58.8	Low	70.3	Confident	71 Å²	71	53.3 Å²	53.3	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-69.8	-47.1	176.5	-162.6	-163.1	127.5	0	0	112.5	Q223 R595 V599 I600 K601	Q223-E597 PolarHBondContact NE2-OE2 2.85Å; R595-E597 PolarHBondContact O-N 2.75Å; E597-V599 PolarHBondContact O-N 2.75Å; E597-I600 PolarHBondContact O-N 2.77Å; E597-K601 HydrophobicContact CG-CD 4.28Å; E597-K601 WeakPolarHBondContact O-CB 3.5Å; E597-K601 WeakPolarHBondContact O-CG 3.21Å; E597-K601 PolarHBondContact O-N 2.73Å; E597-K601 WeakPolarHBondContact OE1-CE 3.33Å; E597-K601 IonicContact OE1-NZ 3.54Å; E597-K601 PolarHBondContact OE1-NZ 2.87Å
598	E	64	Low	70.3	Confident	94 Å²	94	54.3 Å²	54.3	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-53	-44.3	174.7	-66.5	-171.6	151.4	0	0	110.4	S74 R595 K602	S74-E598 PolarHBondContact OG-OE1 3.2Å; S74-E598 PolarHBondContact OG-OE2 2.88Å; R595-E598 IonicContact NE-OE2 3.51Å; R595-E598 PolarHBondContact O-N 3.14Å; E598-K602 VanDerWaalsContact O-CB 3.25Å; E598-K602 WeakPolarHBondContact O-CB 3.29Å; E598-K602 PolarHBondContact O-N 2.8Å
599	V	68.4	Low	70.3	Confident	14 Å²	14	58.9 Å²	58.9	9%	0.085	30%	0.3	C	S	.	.	H	α-helix	trans	-70.2	-48.6	-178.3	167.2	0	0	0	0	111.6	L574 Y591 R595 E597 K601 K602 L603	L574-V599 HydrophobicContact CD2-CG1 3.97Å; Y591-V599 HydrophobicContact CD1-CB 4.44Å; Y591-V599 HydrophobicContact CD1-CG1 3.97Å; Y591-V599 HydrophobicContact CD1-CG2 3.8Å; Y591-V599 HydrophobicContact CD2-CG1 3.8Å; Y591-V599 HydrophobicContact CE1-CG1 3.76Å; Y591-V599 HydrophobicContact CE1-CG2 4Å; Y591-V599 HydrophobicContact CE2-CG1 3.58Å; Y591-V599 HydrophobicContact CG-CG1 3.98Å; Y591-V599 HydrophobicContact CG-CG2 4.27Å; R595-V599 HydrophobicContact CB-CG2 4.36Å; R595-V599 WeakPolarHBondContact O-CB 3.09Å; R595-V599 VanDerWaalsContact O-CG2 3.24Å; R595-V599 WeakPolarHBondContact O-CG2 3.37Å; R595-V599 PolarHBondContact O-N 3.33Å; E597-V599 PolarHBondContact O-N 2.75Å; V599-K601 PolarHBondContact O-N 3.11Å; V599-K602 PolarHBondContact O-N 2.81Å; V599-L603 HydrophobicContact CG1-CD1 3.51Å; V599-L603 HydrophobicContact CG1-CG 4.26Å; V599-L603 WeakPolarHBondContact O-CB 3.37Å; V599-L603 VanDerWaalsContact O-CG 3.23Å; V599-L603 WeakPolarHBondContact O-CG 3.33Å; V599-L603 PolarHBondContact O-N 3.43Å
600	I	72.1	Confident	70.4	Confident	33 Å²	33	59.7 Å²	59.7	17%	0.169	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-46.4	178.2	-73.8	170	0	0	0	110.7	L574 L596 E597 K602 L603 I604 I628	L574-I600 HydrophobicContact CD1-CD1 4.2Å; L574-I600 HydrophobicContact CD1-CG1 4.08Å; L574-I600 HydrophobicContact CD2-CG1 3.7Å; L596-I600 HydrophobicContact CD1-CD1 4.07Å; L596-I600 HydrophobicContact CD1-CG1 4.4Å; L596-I600 HydrophobicContact CG-CD1 3.85Å; L596-I600 WeakPolarHBondContact O-CB 3.06Å; L596-I600 VanDerWaalsContact O-CG1 3.23Å; L596-I600 WeakPolarHBondContact O-CG1 3.41Å; L596-I600 PolarHBondContact O-N 3.22Å; E597-I600 PolarHBondContact O-N 2.77Å; I600-K602 PolarHBondContact O-N 2.82Å; I600-L603 PolarHBondContact O-N 2.92Å; I600-I604 HydrophobicContact CG2-CD1 3.64Å; I600-I604 HydrophobicContact CG2-CG1 4.4Å; I600-I604 WeakPolarHBondContact O-CB 3.5Å; I600-I604 VanDerWaalsContact O-CG1 3.32Å; I600-I604 WeakPolarHBondContact O-CG1 3.29Å; I600-I604 PolarHBondContact O-N 3.29Å; I600-I628 HydrophobicContact CD1-CD1 3.89Å
601	K	73.1	Confident	71	Confident	94 Å²	94	60.2 Å²	60.2	41%	0.409	31%	0.308	S	S	.	.	H	α-helix	trans	-58	-47.2	175.7	-77.2	178.4	169.2	176.7	0	111.7	E269 E597 V599 S605	E269-K601 WeakPolarHBondContact OE1-CE 3.33Å; E269-K601 IonicContact OE1-NZ 2.74Å; E269-K601 PolarHBondContact OE1-NZ 3.31Å; E597-K601 HydrophobicContact CG-CD 4.28Å; E597-K601 WeakPolarHBondContact O-CB 3.5Å; E597-K601 WeakPolarHBondContact O-CG 3.21Å; E597-K601 PolarHBondContact O-N 2.73Å; E597-K601 WeakPolarHBondContact OE1-CE 3.33Å; E597-K601 IonicContact OE1-NZ 3.54Å; E597-K601 PolarHBondContact OE1-NZ 2.87Å; V599-K601 PolarHBondContact O-N 3.11Å; K601-S605 WeakPolarHBondContact O-CB 3.21Å; K601-S605 PolarHBondContact O-N 2.95Å
602	K	77.1	Confident	71.1	Confident	139 Å²	139	60.3 Å²	60.3	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-62.2	-44.4	177.8	-176.1	-177.9	176.7	-171.3	0	112	E598 V599 I600 S605 N606	E598-K602 VanDerWaalsContact O-CB 3.25Å; E598-K602 WeakPolarHBondContact O-CB 3.29Å; E598-K602 PolarHBondContact O-N 2.8Å; V599-K602 PolarHBondContact O-N 2.81Å; I600-K602 PolarHBondContact O-N 2.82Å; K602-S605 PolarHBondContact O-N 2.69Å; K602-S605 PolarHBondContact O-OG 2.85Å; K602-N606 VanDerWaalsContact O-CG 3.31Å; K602-N606 PolarHBondContact O-N 2.9Å
603	L	80.3	Confident	71.8	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-47	179.2	-74.7	167.1	0	0	0	111.7	L574 M587 V599 I600 S605 N606 G607 F608	L574-L603 HydrophobicContact CD2-CD1 3.54Å; M587-L603 HydrophobicContact CE-CD1 3.64Å; M587-L603 HydrophobicContact CE-CD2 3.69Å; M587-L603 HydrophobicContact CE-CG 4.34Å; M587-L603 HydrophobicContact SD-CD2 3.79Å; V599-L603 HydrophobicContact CG1-CD1 3.51Å; V599-L603 HydrophobicContact CG1-CG 4.26Å; V599-L603 WeakPolarHBondContact O-CB 3.37Å; V599-L603 VanDerWaalsContact O-CG 3.23Å; V599-L603 WeakPolarHBondContact O-CG 3.33Å; V599-L603 PolarHBondContact O-N 3.43Å; I600-L603 PolarHBondContact O-N 2.92Å; L603-S605 VanDerWaalsContact C-N 3.3Å; L603-S605 PolarHBondContact O-N 3.45Å; L603-N606 CarbonylContact O-C 3.55Å; L603-N606 WeakPolarHBondContact O-CA 3.34Å; L603-N606 WeakPolarHBondContact O-CB 3.25Å; L603-N606 PolarHBondContact O-N 2.8Å; L603-G607 PolarHBondContact O-N 2.92Å; L603-F608 HydrophobicContact CB-CB 3.99Å; L603-F608 HydrophobicContact CD2-CB 4.3Å; L603-F608 HydrophobicContact CD2-CD2 3.99Å; L603-F608 HydrophobicContact CD2-CE2 4.47Å; L603-F608 HydrophobicContact CD2-CG 4.04Å; L603-F608 WeakPolarHBondContact O-CB 3.3Å; L603-F608 PolarHBondContact O-N 2.91Å
604	I	79.5	Confident	72.3	Confident	97 Å²	97	64.5 Å²	64.5	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-42.1	174.3	-67.9	169.5	0	0	0	110.7	I600 N606 G607 F608 P610	I600-I604 HydrophobicContact CG2-CD1 3.64Å; I600-I604 HydrophobicContact CG2-CG1 4.4Å; I600-I604 WeakPolarHBondContact O-CB 3.5Å; I600-I604 VanDerWaalsContact O-CG1 3.32Å; I600-I604 WeakPolarHBondContact O-CG1 3.29Å; I600-I604 PolarHBondContact O-N 3.29Å; I604-N606 PolarHBondContact O-N 2.84Å; I604-G607 PolarHBondContact O-N 3.2Å; I604-F608 WeakPolarHBondContact CA-O 3.41Å; I604-P610 HydrophobicContact CD1-CG 4.48Å
605	S	78.6	Confident	72.7	Confident	92 Å²	92	61.6 Å²	61.6	64%	0.643	32%	0.32	S	S	*	.	H	α-helix	trans	-64.3	-23.7	175.8	78.5	0	0	0	0	114	K601 K602 L603	K601-S605 WeakPolarHBondContact O-CB 3.21Å; K601-S605 PolarHBondContact O-N 2.95Å; K602-S605 PolarHBondContact O-N 2.69Å; K602-S605 PolarHBondContact O-OG 2.85Å; L603-S605 VanDerWaalsContact C-N 3.3Å; L603-S605 PolarHBondContact O-N 3.45Å
606	N	81.2	Confident	72	Confident	94 Å²	94	64.6 Å²	64.6	50%	0.503	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.5	174.3	-71.3	-13.5	0	0	0	113.3	K602 L603 I604 F608	K602-N606 VanDerWaalsContact O-CG 3.31Å; K602-N606 PolarHBondContact O-N 2.9Å; L603-N606 CarbonylContact O-C 3.55Å; L603-N606 WeakPolarHBondContact O-CA 3.34Å; L603-N606 WeakPolarHBondContact O-CB 3.25Å; L603-N606 PolarHBondContact O-N 2.8Å; I604-N606 PolarHBondContact O-N 2.84Å; N606-F608 HydrophobicContact CB-CD2 3.97Å; N606-F608 HydrophobicContact CB-CE2 4.3Å
607	G	81.1	Confident	71	Confident	41 Å²	41	73.4 Å²	73.4	42%	0.423	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	9.7	-180	0	0	0	0	0	115.7	L603 I604	L603-G607 PolarHBondContact O-N 2.92Å; I604-G607 PolarHBondContact O-N 3.2Å
608	F	85.5	Confident	70	Confident	29 Å²	29	75.6 Å²	75.6	13%	0.127	39%	0.394	C	S	.	.			trans	-81.2	132.1	173.2	-73.6	-96.7	0	0	0	111.1	C576 H578 M587 L603 I604 N606 P610	C576-F608 HydrophobicContact CB-CB 3.91Å; C576-F608 HydrophobicContact CB-CD1 3.95Å; C576-F608 HydrophobicContact CB-CG 4.39Å; H578-F608 HydrophobicContact CB-CD1 3.66Å; H578-F608 HydrophobicContact CB-CE1 3.64Å; H578-F608 HydrophobicContact CB-CG 4.19Å; H578-F608 HydrophobicContact CB-CZ 4.16Å; M587-F608 HydrophobicContact CB-CD1 4.22Å; M587-F608 HydrophobicContact CB-CE1 3.78Å; M587-F608 HydrophobicContact SD-CE1 4.47Å; L603-F608 HydrophobicContact CB-CB 3.99Å; L603-F608 HydrophobicContact CD2-CB 4.3Å; L603-F608 HydrophobicContact CD2-CD2 3.99Å; L603-F608 HydrophobicContact CD2-CE2 4.47Å; L603-F608 HydrophobicContact CD2-CG 4.04Å; L603-F608 WeakPolarHBondContact O-CB 3.3Å; L603-F608 PolarHBondContact O-N 2.91Å; I604-F608 WeakPolarHBondContact CA-O 3.41Å; N606-F608 HydrophobicContact CB-CD2 3.97Å; N606-F608 HydrophobicContact CB-CE2 4.3Å; F608-P610 WeakPolarHBondContact O-CD 3.46Å
609	I	84.3	Confident	68.8	Low	96 Å²	96	75.2 Å²	75.2	49%	0.492	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106	177.6	-56.3	170.2	0	0	0	107.5	C576 L577 L611	C576-I609 CarbonylContact C-O 3.58Å; C576-I609 VanDerWaalsContact CA-O 3.31Å; C576-I609 WeakPolarHBondContact CA-O 3.37Å; L577-I609 PolarHBondContact N-O 2.91Å; L577-I609 PolarHBondContact O-N 2.76Å; I609-L611 PolarHBondContact O-N 2.82Å
610	P	81.3	Confident	67.1	Low	21 Å²	21	76.9 Å²	76.9	14%	0.136	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.5	175.7	25	-32.8	0	0	0	111.3	L574 I575 I604 F608 I623	L574-P610 HydrophobicContact CD1-CB 4.11Å; I575-P610 WeakPolarHBondContact O-CA 3.24Å; I604-P610 HydrophobicContact CD1-CG 4.48Å; F608-P610 WeakPolarHBondContact O-CD 3.46Å; P610-I623 HydrophobicContact CB-CD1 3.58Å; P610-I623 HydrophobicContact CG-CD1 3.77Å; P610-I623 WeakPolarHBondContact O-CD1 3.27Å
611	L	81.4	Confident	65.8	Low	16 Å²	16	81 Å²	81	8%	0.084	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-82.4	152.1	-179	-65.8	-174.2	0	0	0	111.5	I575 L577 I609 I623 V869 Y1002 I1004	I575-L611 HydrophobicContact CG2-CD1 3.75Å; I575-L611 HydrophobicContact CG2-CG 4.26Å; I575-L611 PolarHBondContact O-N 2.79Å; L577-L611 HydrophobicContact CB-CD2 3.87Å; L577-L611 HydrophobicContact CB-CG 4.4Å; L577-L611 HydrophobicContact CD2-CD2 4.49Å; I609-L611 PolarHBondContact O-N 2.82Å; L611-I623 WeakPolarHBondContact O-CD1 3.44Å; L611-V869 HydrophobicContact CD1-CG2 4.15Å; L611-Y1002 HydrophobicContact CB-CD1 3.94Å; L611-Y1002 HydrophobicContact CB-CG 4.39Å; L611-I1004 HydrophobicContact CD1-CG1 4.32Å
612	V	69.2	Low	64.1	Low	34 Å²	34	86.7 Å²	86.7	21%	0.206	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-98.5	138.9	178	-161.1	0	0	0	0	110.6	C620 I623 D627	V612-C620 HydrophobicContact CG1-CB 4.39Å; V612-C620 WeakPolarHBondContact CG1-O 3.42Å; V612-I623 HydrophobicContact CG2-CD1 4.39Å; V612-I623 HydrophobicContact CG2-CG1 4Å; V612-D627 HydrophobicContact CG1-CB 4.47Å
613	Q	69.5	Low	62.3	Low	57 Å²	57	82.4 Å²	82.4	27%	0.266	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-68.8	136.5	174.1	-178	174.3	13.9	0	0	111.3	S615 N629 T1001 Y1002	Q613-S615 PolarHBondContact O-N 3.24Å; Q613-N629 PolarHBondContact NE2-ND2 3.34Å; Q613-N629 PolarHBondContact NE2-OD1 3.21Å; Q613-N629 PolarHBondContact OE1-ND2 3.41Å; Q613-N629 PolarHBondContact OE1-OD1 3.02Å; Q613-T1001 WeakPolarHBondContact CA-O 3.48Å; Q613-Y1002 HydrophobicContact CB-CD1 4.39Å; Q613-Y1002 HydrophobicContact CB-CE1 4.11Å
614	K	66.4	Low	60.4	Low	81 Å²	81	85.7 Å²	85.7	35%	0.352	44%	0.44	S	S	.	.			trans	-70.6	93.9	172.9	-170.1	173.4	-148.6	148.1	0	110.2	Y861 T1001 D1003	K614-Y861 PolarHBondContact NZ-OH 3.17Å; K614-T1001 HydrophobicContact CB-CG2 4.45Å; K614-T1001 WeakPolarHBondContact CB-O 3.31Å; K614-T1001 HydrophobicContact CD-CG2 4.05Å; K614-T1001 PolarHBondContact N-O 3.45Å; K614-D1003 VanDerWaalsContact CD-OD1 3.32Å; K614-D1003 WeakPolarHBondContact CD-OD1 3.31Å; K614-D1003 WeakPolarHBondContact CE-OD1 2.99Å; K614-D1003 WeakPolarHBondContact CE-OD2 3.32Å; K614-D1003 WeakPolarHBondContact CG-OD2 3.46Å; K614-D1003 IonicContact NZ-OD1 3.16Å; K614-D1003 PolarHBondContact NZ-OD1 2.91Å; K614-D1003 IonicContact NZ-OD2 2.78Å
615	S	56.9	Low	58.3	Low	58 Å²	58	82.7 Å²	82.7	41%	0.406	43%	0.433	S	S	.	.			trans	-84.1	135	175.2	116.3	0	0	0	0	111.2	Q613 K617 I618	Q613-S615 PolarHBondContact O-N 3.24Å; S615-K617 PolarHBondContact O-N 2.74Å; S615-I618 WeakPolarHBondContact CB-O 3.08Å; S615-I618 PolarHBondContact OG-N 2.71Å; S615-I618 PolarHBondContact OG-O 3.21Å
616	N	43.2	Very low	56.4	Low	164 Å²	164	85 Å²	85	88%	0.877	43%	0.428	S	S	*	.	S	Bend	trans	-71.8	4.2	-176.8	-75.3	-11.7	0	0	0	114.9
617	K	39.2	Very low	55	Low	203 Å²	203	81.8 Å²	81.8	88%	0.883	41%	0.411	S	S	*	.	S	Bend	trans	-139.9	-26	-176.9	-68.5	-169.2	176.2	-177	0	116	S615	S615-K617 PolarHBondContact O-N 2.74Å
618	I	37.5	Very low	54	Low	117 Å²	117	80.3 Å²	80.3	60%	0.6	39%	0.394	S	S	*	.			trans	-140.5	121.1	177.5	-56.3	-179.5	0	0	0	108.8	S615 C620	S615-I618 WeakPolarHBondContact CB-O 3.08Å; S615-I618 PolarHBondContact OG-N 2.71Å; S615-I618 PolarHBondContact OG-O 3.21Å; I618-C620 PolarHBondContact O-N 3.06Å; I618-C620 VanDerWaalsContact O-N 3.09Å
619	K	38.5	Very low	53	Low	85 Å²	85	80.2 Å²	80.2	37%	0.37	39%	0.394	S	S	.	.			trans	-76.8	90.6	168.5	-67.4	-171.5	-179.5	-178.2	0	108.7	Y621 M858 Y861	K619-Y621 HydrophobicContact CB-CE2 3.71Å; K619-Y621 VanDerWaalsContact CD-OH 3.26Å; K619-Y621 WeakPolarHBondContact CD-OH 3.23Å; K619-Y621 WeakPolarHBondContact O-CD2 3.41Å; K619-Y621 WeakPolarHBondContact O-CE2 3.06Å; K619-M858 PolarHBondContact NZ-SD 2.99Å; K619-Y861 HydrophobicContact CD-CD2 4.22Å; K619-Y861 HydrophobicContact CD-CE2 4.48Å; K619-Y861 VanDerWaalsContact NZ-CD2 3.31Å; K619-Y861 VanDerWaalsContact NZ-CG 3.26Å
620	C	34.2	Very low	51.8	Low	49 Å²	49	79.9 Å²	79.9	33%	0.331	39%	0.39	S	S	.	.			trans	-69.1	136.5	166.1	-69.3	0	0	0	0	109.1	V612 I618 D627	V612-C620 HydrophobicContact CG1-CB 4.39Å; V612-C620 WeakPolarHBondContact CG1-O 3.42Å; I618-C620 PolarHBondContact O-N 3.06Å; I618-C620 VanDerWaalsContact O-N 3.09Å; C620-D627 PolarHBondContact SG-OD1 3.44Å
621	Y	44	Very low	50.7	Low	119 Å²	119	80 Å²	80	47%	0.467	39%	0.39	S	S	.	.			trans	-114.4	9.3	178.3	-65.9	-79.8	0	0	0	113	K619 I857 M1005	K619-Y621 HydrophobicContact CB-CE2 3.71Å; K619-Y621 VanDerWaalsContact CD-OH 3.26Å; K619-Y621 WeakPolarHBondContact CD-OH 3.23Å; K619-Y621 WeakPolarHBondContact O-CD2 3.41Å; K619-Y621 WeakPolarHBondContact O-CE2 3.06Å; Y621-I857 VanDerWaalsContact OH-CG2 3.27Å; Y621-I857 WeakPolarHBondContact OH-CG2 3.18Å; Y621-M1005 HydrophobicContact CD1-CE 4.39Å; Y621-M1005 HydrophobicContact CE1-CE 4.36Å
622	R	36.5	Very low	49.4	Very low	214 Å²	214	81.1 Å²	81.1	81%	0.808	40%	0.396	S	S	*	.	S	Bend	trans	-147.2	123.2	-175.6	-158.4	177.8	-161.7	159.8	6.3	107.8	T624	R622-T624 PolarHBondContact O-N 3.22Å
623	I	40.6	Very low	48.8	Very low	50 Å²	50	80.8 Å²	80.8	26%	0.256	39%	0.392	S	S	.	.			trans	-73.7	118.7	-176.1	-64.6	168.1	0	0	0	109.1	P610 L611 V612 I628	P610-I623 HydrophobicContact CB-CD1 3.58Å; P610-I623 HydrophobicContact CG-CD1 3.77Å; P610-I623 WeakPolarHBondContact O-CD1 3.27Å; L611-I623 WeakPolarHBondContact O-CD1 3.44Å; V612-I623 HydrophobicContact CG2-CD1 4.39Å; V612-I623 HydrophobicContact CG2-CG1 4Å; I623-I628 HydrophobicContact CG2-CD1 3.84Å; I623-I628 HydrophobicContact CG2-CG1 3.91Å
624	T	39	Very low	48.1	Very low	83 Å²	83	79.1 Å²	79.1	51%	0.509	39%	0.385	S	S	.	.			trans	-98.8	7.6	-178.9	65.4	0	0	0	0	112.9	R622 Y626 D627	R622-T624 PolarHBondContact O-N 3.22Å; T624-Y626 PolarHBondContact O-N 3.12Å; T624-Y626 VanDerWaalsContact O-N 3.11Å; T624-D627 WeakPolarHBondContact CB-OD2 3.3Å; T624-D627 PolarHBondContact N-OD2 3.07Å; T624-D627 PolarHBondContact OG1-OD2 3.21Å
625	G	35.3	Very low	47.3	Very low	34 Å²	34	75.8 Å²	75.8	35%	0.351	37%	0.371	S	S	.	.	S	Bend	trans	80.9	-37.9	-170.6	0	0	0	0	0	112.9	D627 I628	G625-D627 PolarHBondContact O-N 3.22Å; G625-I628 PolarHBondContact O-N 3.46Å
626	Y	39.8	Very low	46.9	Very low	139 Å²	139	73.4 Å²	73.4	55%	0.545	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.5	173.6	-62.2	-81.8	0	0	0	113.8	L222 T624 I628	L222-Y626 HydrophobicContact CD1-CE1 3.82Å; L222-Y626 HydrophobicContact CD1-CE2 4.1Å; L222-Y626 VanDerWaalsContact CD1-CZ 3.49Å; L222-Y626 WeakPolarHBondContact CD1-OH 3.44Å; L222-Y626 HydrophobicContact CD2-CE1 3.93Å; T624-Y626 PolarHBondContact O-N 3.12Å; T624-Y626 VanDerWaalsContact O-N 3.11Å; Y626-I628 PolarHBondContact O-N 3.44Å
627	D	52.3	Low	47.6	Very low	28 Å²	28	65.9 Å²	65.9	15%	0.15	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	13.4	-178.6	-40.1	-91	0	0	0	113.5	V612 C620 T624 G625	V612-D627 HydrophobicContact CG1-CB 4.47Å; C620-D627 PolarHBondContact SG-OD1 3.44Å; T624-D627 WeakPolarHBondContact CB-OD2 3.3Å; T624-D627 PolarHBondContact N-OD2 3.07Å; T624-D627 PolarHBondContact OG1-OD2 3.21Å; G625-D627 PolarHBondContact O-N 3.22Å
628	I	60	Low	48.8	Very low	10 Å²	10	56.5 Å²	56.5	5%	0.051	28%	0.276	C	S	.	.	S	Bend	trans	-111.8	138.3	-174.7	-51.7	177.3	0	0	0	109.2	A572 I573 L596 I600 I623 G625 Y626 H630	A572-I628 HydrophobicContact CB-CG2 3.91Å; I573-I628 VanDerWaalsContact O-CG2 3.31Å; I573-I628 WeakPolarHBondContact O-CG2 3.35Å; L596-I628 HydrophobicContact CD2-CD1 3.86Å; L596-I628 HydrophobicContact CD2-CG2 4.47Å; L596-I628 HydrophobicContact CG-CD1 4.45Å; I600-I628 HydrophobicContact CD1-CD1 3.89Å; I623-I628 HydrophobicContact CG2-CD1 3.84Å; I623-I628 HydrophobicContact CG2-CG1 3.91Å; G625-I628 PolarHBondContact O-N 3.46Å; Y626-I628 PolarHBondContact O-N 3.44Å; I628-H630 PolarHBondContact O-CD2 3.36Å; I628-H630 PolarHBondContact O-N 3.42Å
629	N	63.4	Low	50.3	Low	27 Å²	27	51 Å²	51	14%	0.144	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	111.1	-173.3	-75.2	-90.1	0	0	0	111.9	A572 I573 Q613 A1000 Y1002	A572-N629 WeakPolarHBondContact CA-O 3.3Å; I573-N629 HydrophobicContact CD1-CB 4.28Å; I573-N629 PolarHBondContact N-O 3.4Å; Q613-N629 PolarHBondContact NE2-ND2 3.34Å; Q613-N629 PolarHBondContact NE2-OD1 3.21Å; Q613-N629 PolarHBondContact OE1-ND2 3.41Å; Q613-N629 PolarHBondContact OE1-OD1 3.02Å; N629-A1000 WeakPolarHBondContact ND2-CB 3.49Å; N629-Y1002 PolarHBondContact ND2-OH 2.95Å
630	H	58.7	Low	52.1	Low	88 Å²	88	47.3 Å²	47.3	41%	0.407	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.9	175.4	-62.4	-96.5	0	0	0	111.2	G571 E593 I628	G571-H630 CarbonylContact O-C 3.51Å; G571-H630 WeakPolarHBondContact O-CA 3.44Å; E593-H630 IonicContact OE1-CE1 2.73Å; E593-H630 IonicContact OE1-CG 3.21Å; E593-H630 IonicContact OE1-ND1 2.76Å; E593-H630 PolarHBondContact OE1-ND1 2.84Å; I628-H630 PolarHBondContact O-CD2 3.36Å; I628-H630 PolarHBondContact O-N 3.42Å
631	I	59.9	Low	54.4	Low	24 Å²	24	45.1 Å²	45.1	12%	0.123	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.4	-178.6	-166	161.4	0	0	0	110.5	G571 I573 V590 L637 L639 L999	G571-I631 CarbonylContact C-O 3.56Å; G571-I631 PolarHBondContact N-O 3.13Å; G571-I631 PolarHBondContact O-N 3.26Å; I573-I631 HydrophobicContact CD1-CB 4.27Å; I573-I631 HydrophobicContact CD1-CD1 4.08Å; I573-I631 HydrophobicContact CD1-CG2 4.14Å; I573-I631 HydrophobicContact CG1-CB 4.3Å; I573-I631 HydrophobicContact CG1-CG2 3.69Å; V590-I631 HydrophobicContact CG1-CG2 3.62Å; I631-L637 HydrophobicContact CD1-CD1 3.84Å; I631-L637 HydrophobicContact CD1-CD2 3.97Å; I631-L637 HydrophobicContact CG1-CD2 4.38Å; I631-L637 HydrophobicContact CG2-CD2 4.44Å; I631-L639 HydrophobicContact CD1-CD2 4.39Å; I631-L999 HydrophobicContact CD1-CD2 4.15Å
632	L	53.6	Low	56.3	Low	39 Å²	39	42.6 Å²	42.6	20%	0.204	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.3	168.5	-68.7	178.3	0	0	0	109.5	W352 L634	W352-L632 HydrophobicContact CG-CD1 4.16Å; L632-L634 PolarHBondContact O-N 3.43Å; L632-L634 VanDerWaalsContact O-N 3.07Å
633	M	55.2	Low	58.7	Low	28 Å²	28	32.8 Å²	32.8	14%	0.138	17%	0.169	C	C	.	.			trans	-75.7	99.1	176	-65.4	-176.1	77.3	0	0	109.2	P569 V590 P592 L731	P569-M633 HydrophobicContact CG-CB 4.16Å; P569-M633 PolarHBondContact O-N 3.2Å; V590-M633 HydrophobicContact CG1-CG 4.15Å; P592-M633 HydrophobicContact CB-SD 4.09Å; P592-M633 HydrophobicContact CG-CE 4.07Å; P592-M633 HydrophobicContact CG-SD 3.86Å; M633-L731 HydrophobicContact CB-CD2 3.79Å; M633-L731 HydrophobicContact CE-CD1 3.92Å; M633-L731 HydrophobicContact CE-CD2 3.99Å; M633-L731 HydrophobicContact CG-CD2 4.31Å
634	L	56.5	Low	60.9	Low	21 Å²	21	33.7 Å²	33.7	11%	0.11	18%	0.175	C	C	.	.			trans	-101.7	129.8	174.8	-62.6	169.2	0	0	0	109.2	F359 L565 S568 L632 G636 L637 L731	F359-L634 HydrophobicContact CD1-CD1 4.14Å; F359-L634 HydrophobicContact CE1-CD1 3.72Å; F359-L634 HydrophobicContact CE2-CD1 4.44Å; F359-L634 HydrophobicContact CZ-CD1 3.9Å; L565-L634 HydrophobicContact CD2-CD1 4.29Å; L565-L634 HydrophobicContact CD2-CD2 3.83Å; S568-L634 WeakPolarHBondContact OG-CD2 3.36Å; L632-L634 PolarHBondContact O-N 3.43Å; L632-L634 VanDerWaalsContact O-N 3.07Å; L634-G636 PolarHBondContact O-N 3.09Å; L634-L637 HydrophobicContact CB-CB 4.23Å; L634-L637 WeakPolarHBondContact O-CB 3.47Å; L634-L637 PolarHBondContact O-N 2.89Å; L634-L731 WeakPolarHBondContact O-CD2 3.31Å
635	N	48.9	Very low	63.1	Low	11 Å²	11	32 Å²	32	6%	0.059	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	119.6	174	-169.5	88	0	0	0	109.5	L506 V508 H732 E733	L506-N635 PolarHBondContact O-ND2 2.94Å; V508-N635 HydrophobicContact CB-CB 3.71Å; V508-N635 HydrophobicContact CG1-CB 4.37Å; V508-N635 HydrophobicContact CG2-CB 3.59Å; N635-H732 PolarHBondContact ND2-CD2 3.25Å; N635-H732 PolarHBondContact ND2-NE2 3.03Å; N635-H732 WeakPolarHBondContact OD1-CA 3.43Å; N635-H732 PolarHBondContact OD1-CD2 2.87Å; N635-H732 PolarHBondContact OD1-NE2 2.78Å; N635-E733 PolarHBondContact OD1-N 3.12Å
636	G	49.5	Very low	65.5	Low	9 Å²	9	31.5 Å²	31.5	9%	0.093	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	-6.2	-168.2	0	0	0	0	0	114.6	L634 C638 L731	L634-G636 PolarHBondContact O-N 3.09Å; G636-C638 PolarHBondContact O-N 2.82Å; G636-L731 PolarHBondContact N-O 3.25Å
637	L	57.9	Low	67.7	Low	5 Å²	5	25.2 Å²	25.2	3%	0.026	14%	0.139	C	C	.	.			trans	-50.3	114.4	171.6	167.5	66.1	0	0	0	109.8	F359 V590 I631 L634 L639 Q730 L731 L873	F359-L637 HydrophobicContact CE1-CD1 3.81Å; F359-L637 HydrophobicContact CZ-CD1 4.31Å; V590-L637 HydrophobicContact CG2-CD2 4.35Å; I631-L637 HydrophobicContact CD1-CD1 3.84Å; I631-L637 HydrophobicContact CD1-CD2 3.97Å; I631-L637 HydrophobicContact CG1-CD2 4.38Å; I631-L637 HydrophobicContact CG2-CD2 4.44Å; L634-L637 HydrophobicContact CB-CB 4.23Å; L634-L637 WeakPolarHBondContact O-CB 3.47Å; L634-L637 PolarHBondContact O-N 2.89Å; L637-L639 HydrophobicContact CD1-CD2 4.11Å; L637-L639 HydrophobicContact CD1-CG 4.29Å; L637-L639 HydrophobicContact CG-CG 4.34Å; L637-Q730 CarbonylContact O-C 3.54Å; L637-Q730 WeakPolarHBondContact O-CA 3.44Å; L637-L731 HydrophobicContact CB-CB 3.92Å; L637-L731 HydrophobicContact CD2-CB 4.43Å; L637-L731 HydrophobicContact CG-CB 4.49Å; L637-L731 PolarHBondContact O-N 2.67Å; L637-L873 HydrophobicContact CD1-CD1 3.62Å
638	C	62.8	Low	69.3	Low	7 Å²	7	25.9 Å²	25.9	5%	0.047	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.8	178.6	-178.3	0	0	0	0	110	G636 I729 Q730 V874 P876	G636-C638 PolarHBondContact O-N 2.82Å; C638-I729 WeakPolarHBondContact CA-O 3.46Å; C638-Q730 HydrophobicContact CB-CG 4.47Å; C638-V874 VanDerWaalsContact CB-O 3.3Å; C638-V874 WeakPolarHBondContact CB-O 3.36Å; C638-V874 PolarHBondContact O-N 2.89Å; C638-P876 HydrophobicContact CB-CB 4.34Å
639	L	70.7	Confident	70.2	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.7	179.8	-63.9	174.5	0	0	0	108.7	I573 V590 I631 L637 R728 I729 I871 W872 L873 L999	I573-L639 HydrophobicContact CD1-CD1 3.99Å; I573-L639 HydrophobicContact CG1-CD1 4.26Å; I573-L639 HydrophobicContact CG2-CD1 4.35Å; V590-L639 HydrophobicContact CG2-CD1 3.82Å; I631-L639 HydrophobicContact CD1-CD2 4.39Å; L637-L639 HydrophobicContact CD1-CD2 4.11Å; L637-L639 HydrophobicContact CD1-CG 4.29Å; L637-L639 HydrophobicContact CG-CG 4.34Å; L639-R728 CarbonylContact O-C 3.56Å; L639-R728 VanDerWaalsContact O-CA 3.27Å; L639-R728 WeakPolarHBondContact O-CA 3.43Å; L639-I729 HydrophobicContact CB-CB 4.32Å; L639-I729 HydrophobicContact CB-CD1 4.28Å; L639-I729 HydrophobicContact CB-CG1 4.26Å; L639-I729 HydrophobicContact CD1-CD1 4.32Å; L639-I729 PolarHBondContact N-O 3.22Å; L639-I729 PolarHBondContact O-N 3.33Å; L639-I871 HydrophobicContact CB-CG2 4.24Å; L639-I871 HydrophobicContact CD1-CG2 4.4Å; L639-I871 HydrophobicContact CD2-CG2 4Å; L639-I871 HydrophobicContact CG-CG2 4.45Å; L639-W872 CarbonylContact C-O 3.51Å; L639-W872 WeakPolarHBondContact CA-O 3.48Å; L639-L873 HydrophobicContact CD2-CD1 3.9Å; L639-L999 HydrophobicContact CD2-CD2 4.25Å
640	E	75.4	Confident	70.9	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.9	174.7	-174.4	172.9	97	0	0	109.9	R642 H726 A727 R728 W872 V874	E640-R642 HydrophobicContact CG-CG 4.39Å; E640-R642 IonicContact OE1-CZ 3.11Å; E640-R642 IonicContact OE1-NE 2.74Å; E640-R642 PolarHBondContact OE1-NE 3.43Å; E640-R642 IonicContact OE1-NH2 2.69Å; E640-R642 PolarHBondContact OE1-NH2 3.35Å; E640-H726 HydrophobicContact CG-CB 4.19Å; E640-A727 CarbonylContact C-O 3.52Å; E640-A727 WeakPolarHBondContact CA-O 3.33Å; E640-R728 HydrophobicContact CB-CG 4.05Å; E640-R728 HydrophobicContact CG-CG 4.1Å; E640-R728 IonicContact OE2-CZ 2.69Å; E640-R728 IonicContact OE2-NE 2.75Å; E640-R728 PolarHBondContact OE2-NE 3.42Å; E640-R728 IonicContact OE2-NH2 3.12Å; E640-R728 PolarHBondContact OE2-NH2 2.97Å; E640-W872 HydrophobicContact CB-CB 4.25Å; E640-W872 PolarHBondContact N-O 3.08Å; E640-W872 PolarHBondContact O-N 2.99Å; E640-V874 HydrophobicContact CB-CB 4.36Å; E640-V874 HydrophobicContact CB-CG2 3.48Å; E640-V874 VanDerWaalsContact CB-CG2 3.48Å; E640-V874 HydrophobicContact CG-CG2 4.47Å
641	L	82.3	Confident	71.1	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.1	169.2	-62.9	87.7	0	0	0	108.2	I575 I586 A588 F643 H726 A727 I729 V869 E870	I575-L641 HydrophobicContact CD1-CD2 4.21Å; I586-L641 HydrophobicContact CG2-CD2 4.48Å; A588-L641 HydrophobicContact CB-CD1 4.38Å; A588-L641 HydrophobicContact CB-CD2 3.69Å; A588-L641 HydrophobicContact CB-CG 4.5Å; L641-F643 HydrophobicContact CB-CE2 3.76Å; L641-F643 HydrophobicContact CB-CZ 3.85Å; L641-F643 HydrophobicContact CD2-CZ 3.86Å; L641-H726 VanDerWaalsContact O-CA 3.3Å; L641-H726 WeakPolarHBondContact O-CA 3.38Å; L641-A727 PolarHBondContact N-O 3.21Å; L641-A727 PolarHBondContact O-N 3.25Å; L641-I729 HydrophobicContact CD1-CD1 3.98Å; L641-I729 HydrophobicContact CD1-CG1 3.56Å; L641-V869 HydrophobicContact CB-CG1 4.17Å; L641-V869 HydrophobicContact CD2-CG1 3.93Å; L641-V869 HydrophobicContact CG-CG1 4.3Å; L641-E870 CarbonylContact C-O 3.45Å; L641-E870 WeakPolarHBondContact CA-O 3.38Å
642	R	84	Confident	70.9	Confident	67 Å²	67	30.5 Å²	30.5	25%	0.253	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.3	169	-50.7	-165.4	173.6	150.1	-1.6	109.5	E640 V869 E870 W872	E640-R642 HydrophobicContact CG-CG 4.39Å; E640-R642 IonicContact OE1-CZ 3.11Å; E640-R642 IonicContact OE1-NE 2.74Å; E640-R642 PolarHBondContact OE1-NE 3.43Å; E640-R642 IonicContact OE1-NH2 2.69Å; E640-R642 PolarHBondContact OE1-NH2 3.35Å; R642-V869 WeakPolarHBondContact O-CA 3.47Å; R642-E870 HydrophobicContact CB-CB 4.37Å; R642-E870 PolarHBondContact N-O 2.78Å; R642-E870 PolarHBondContact O-N 3.03Å; R642-W872 HydrophobicContact CG-CG 4.39Å; R642-W872 VanDerWaalsContact NH1-CD2 3.27Å; R642-W872 VanDerWaalsContact NH1-CE2 3.28Å
643	F	86.5	Confident	70.7	Confident	8 Å²	8	31 Å²	31	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.8	-177.3	-61.3	-86.7	0	0	0	110	I586 L641 I647 I649 K725 A727 V742 I744 V869	I586-F643 HydrophobicContact CB-CE1 4.29Å; I586-F643 HydrophobicContact CD1-CD1 4.38Å; I586-F643 HydrophobicContact CD1-CE1 3.85Å; I586-F643 HydrophobicContact CG2-CE1 4.23Å; L641-F643 HydrophobicContact CB-CE2 3.76Å; L641-F643 HydrophobicContact CB-CZ 3.85Å; L641-F643 HydrophobicContact CD2-CZ 3.86Å; F643-I647 HydrophobicContact CB-CD1 4.11Å; F643-I647 HydrophobicContact CD1-CD1 4.06Å; F643-I649 HydrophobicContact CD2-CD1 3.75Å; F643-I649 HydrophobicContact CD2-CG1 3.65Å; F643-I649 HydrophobicContact CE2-CD1 3.87Å; F643-I649 HydrophobicContact CE2-CG1 4.01Å; F643-I649 HydrophobicContact CG-CG1 4.4Å; F643-K725 PolarHBondContact N-O 2.99Å; F643-A727 HydrophobicContact CE2-CB 4.25Å; F643-V742 HydrophobicContact CE2-CB 4.42Å; F643-V742 HydrophobicContact CE2-CG1 3.92Å; F643-V742 HydrophobicContact CE2-CG2 4.25Å; F643-V742 HydrophobicContact CZ-CB 4.04Å; F643-V742 HydrophobicContact CZ-CG1 3.95Å; F643-V742 HydrophobicContact CZ-CG2 3.99Å; F643-I744 HydrophobicContact CD1-CG2 4.24Å; F643-I744 HydrophobicContact CE1-CG2 4.17Å; F643-V869 HydrophobicContact CD1-CG2 4.01Å; F643-V869 HydrophobicContact CE1-CG1 4.18Å; F643-V869 HydrophobicContact CE1-CG2 3.8Å
644	N	86.5	Confident	70.4	Confident	69 Å²	69	37.7 Å²	37.7	37%	0.369	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.4	-176.2	-69.7	-28.1	0	0	0	110.7	G867 T868 E870	N644-G867 CarbonylContact O-C 3.57Å; N644-G867 WeakPolarHBondContact O-CA 3.33Å; N644-T868 PolarHBondContact N-O 3.33Å; N644-T868 PolarHBondContact O-N 3.36Å; N644-E870 PolarHBondContact ND2-OE1 3.35Å
645	G	85.7	Confident	69.9	Low	48 Å²	48	43.6 Å²	43.6	50%	0.495	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.4	-148.5	179	0	0	0	0	0	113.8	I647	G645-I647 PolarHBondContact O-N 3.46Å; G645-I647 VanDerWaalsContact O-N 3.1Å
646	D	86.9	Confident	70	Confident	22 Å²	22	44.2 Å²	44.2	12%	0.118	24%	0.24	C	C	.	.	S	Bend	trans	-78.4	16.3	-174.1	-66.8	-16.4	0	0	0	113.9	P746 M747 L750 K753 Y754 V866	D646-P746 CarbonylContact O-C 3.59Å; D646-P746 WeakPolarHBondContact O-CA 3.39Å; D646-M747 PolarHBondContact O-N 3.44Å; D646-L750 HydrophobicContact CB-CD1 3.45Å; D646-L750 VanDerWaalsContact CB-CD1 3.45Å; D646-L750 VanDerWaalsContact CG-CD1 3.45Å; D646-L750 WeakPolarHBondContact OD1-CD1 3.14Å; D646-K753 IonicContact OD1-NZ 2.66Å; D646-K753 PolarHBondContact OD1-NZ 3.45Å; D646-K753 WeakPolarHBondContact OD2-CE 3.31Å; D646-K753 IonicContact OD2-NZ 2.69Å; D646-K753 PolarHBondContact OD2-NZ 3.38Å; D646-Y754 HydrophobicContact CB-CE2 4.11Å; D646-Y754 VanDerWaalsContact OD2-CE2 3.26Å; D646-Y754 WeakPolarHBondContact OD2-CE2 3.41Å; D646-Y754 VanDerWaalsContact OD2-CZ 3.31Å; D646-Y754 PolarHBondContact OD2-OH 2.98Å; D646-V866 HydrophobicContact CB-CG1 3.82Å; D646-V866 WeakPolarHBondContact CB-O 3.14Å; D646-V866 PolarHBondContact N-O 2.82Å
647	I	86	Confident	69.8	Low	7 Å²	7	47.7 Å²	47.7	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153	-177.6	48.1	153.6	0	0	0	112.4	F643 G645 I744 E745 V866 I1004	F643-I647 HydrophobicContact CB-CD1 4.11Å; F643-I647 HydrophobicContact CD1-CD1 4.06Å; G645-I647 PolarHBondContact O-N 3.46Å; G645-I647 VanDerWaalsContact O-N 3.1Å; I647-I744 HydrophobicContact CD1-CD1 4.34Å; I647-I744 HydrophobicContact CG2-CD1 4.5Å; I647-E745 WeakPolarHBondContact CA-O 3.36Å; I647-V866 HydrophobicContact CG2-CG1 3.71Å; I647-I1004 HydrophobicContact CD1-CD1 3.35Å; I647-I1004 HydrophobicContact CG1-CD1 4.49Å
648	Q	84.2	Confident	69.4	Low	43 Å²	43	55 Å²	55	20%	0.201	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	159	169.4	65.3	-171.8	3.3	0	0	110.4	K650 I744 E745	Q648-K650 PolarHBondContact O-N 2.8Å; Q648-I744 WeakPolarHBondContact O-CA 3.26Å; Q648-E745 HydrophobicContact CG-CG 3.8Å; Q648-E745 PolarHBondContact N-O 3.08Å; Q648-E745 PolarHBondContact NE2-OE1 3.4Å; Q648-E745 PolarHBondContact O-N 2.81Å
649	I	80.7	Confident	68.9	Low	21 Å²	21	56.4 Å²	56.4	11%	0.108	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	131.3	162.6	-59.8	-177	0	0	0	107.3	F643 P651 S724 H726 A727 V742	F643-I649 HydrophobicContact CD2-CD1 3.75Å; F643-I649 HydrophobicContact CD2-CG1 3.65Å; F643-I649 HydrophobicContact CE2-CD1 3.87Å; F643-I649 HydrophobicContact CE2-CG1 4.01Å; F643-I649 HydrophobicContact CG-CG1 4.4Å; I649-P651 WeakPolarHBondContact O-CD 3.4Å; I649-S724 WeakPolarHBondContact CB-O 3.47Å; I649-S724 PolarHBondContact N-O 3.07Å; I649-H726 VanDerWaalsContact CD1-C 3.49Å; I649-H726 WeakPolarHBondContact CD1-O 3.3Å; I649-A727 HydrophobicContact CD1-CB 4.28Å; I649-V742 HydrophobicContact CB-CG1 4.36Å; I649-V742 HydrophobicContact CD1-CG1 4.02Å; I649-V742 HydrophobicContact CG1-CG1 3.88Å; I649-V742 HydrophobicContact CG2-CG1 3.8Å
650	K	76.3	Confident	68	Low	47 Å²	47	61.2 Å²	61.2	20%	0.204	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-73.8	118.5	179.8	178.5	178.4	161.3	-155.4	0	108.7	Q648 T652 E743 E745	Q648-K650 PolarHBondContact O-N 2.8Å; K650-T652 PolarHBondContact O-N 2.91Å; K650-E743 HydrophobicContact CB-CB 3.99Å; K650-E743 WeakPolarHBondContact CB-O 3.25Å; K650-E743 HydrophobicContact CD-CB 4.02Å; K650-E743 WeakPolarHBondContact CE-OE2 3.37Å; K650-E743 PolarHBondContact N-O 3.49Å; K650-E743 IonicContact NZ-OE2 2.76Å; K650-E743 PolarHBondContact NZ-OE2 3.47Å; K650-E745 HydrophobicContact CB-CB 4.41Å; K650-E745 HydrophobicContact CB-CG 3.98Å; K650-E745 HydrophobicContact CG-CG 4.28Å
651	P	64.3	Low	66.9	Low	49 Å²	49	64.1 Å²	64.1	32%	0.318	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-60.2	134.4	-177.7	20.6	-30.5	0	0	0	111.5	I649 D656	I649-P651 WeakPolarHBondContact O-CD 3.4Å; P651-D656 WeakPolarHBondContact CA-OD2 3.33Å; P651-D656 HydrophobicContact CB-CB 3.38Å; P651-D656 WeakPolarHBondContact CB-OD2 3.36Å; P651-D656 HydrophobicContact CG-CB 4.34Å
652	T	55.2	Low	65.7	Low	128 Å²	128	69 Å²	69	79%	0.785	36%	0.364	S	S	*	.			trans	-111.2	-9.3	-179	56.7	0	0	0	0	113.3	K650 D656	K650-T652 PolarHBondContact O-N 2.91Å; T652-D656 PolarHBondContact N-OD2 2.76Å
653	S	50.3	Low	64.2	Low	49 Å²	49	68.8 Å²	68.8	34%	0.343	37%	0.366	S	S	.	.	S	Bend	trans	-84.6	140.7	174.6	-171.5	0	0	0	0	110.9	F655 D656	S653-F655 PolarHBondContact O-N 2.96Å; S653-F655 PolarHBondContact OG-N 2.8Å; S653-D656 WeakPolarHBondContact CA-OD2 3.32Å; S653-D656 VanDerWaalsContact CB-CG 3.48Å; S653-D656 WeakPolarHBondContact CB-OD2 3.42Å; S653-D656 PolarHBondContact N-OD2 3.32Å; S653-D656 PolarHBondContact O-N 3.4Å
654	Q	47.4	Very low	62.9	Low	170 Å²	170	71 Å²	71	79%	0.794	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.3	170.4	-60.4	-179.7	16.3	0	0	112	P657	Q654-P657 WeakPolarHBondContact O-CD 3.44Å
655	F	46.3	Very low	61.6	Low	144 Å²	144	74.4 Å²	74.4	63%	0.632	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.5	178.6	-59	-74.4	0	0	0	114	S653 P657 Y658 T659	S653-F655 PolarHBondContact O-N 2.96Å; S653-F655 PolarHBondContact OG-N 2.8Å; F655-P657 VanDerWaalsContact C-CD 3.42Å; F655-Y658 WeakPolarHBondContact O-CB 3.49Å; F655-Y658 PolarHBondContact O-N 3.23Å; F655-T659 PolarHBondContact O-N 3.28Å
656	D	50.4	Low	60.2	Low	24 Å²	24	76.6 Å²	76.6	13%	0.128	39%	0.391	C	S	.	.	H	α-helix	trans	-61	-31	-179.9	-66.8	-31.1	0	0	0	114.7	P651 T652 S653 Y658 T659 K660	P651-D656 WeakPolarHBondContact CA-OD2 3.33Å; P651-D656 HydrophobicContact CB-CB 3.38Å; P651-D656 WeakPolarHBondContact CB-OD2 3.36Å; P651-D656 HydrophobicContact CG-CB 4.34Å; T652-D656 PolarHBondContact N-OD2 2.76Å; S653-D656 WeakPolarHBondContact CA-OD2 3.32Å; S653-D656 VanDerWaalsContact CB-CG 3.48Å; S653-D656 WeakPolarHBondContact CB-OD2 3.42Å; S653-D656 PolarHBondContact N-OD2 3.32Å; S653-D656 PolarHBondContact O-N 3.4Å; D656-Y658 VanDerWaalsContact C-N 3.28Å; D656-Y658 PolarHBondContact O-N 2.81Å; D656-T659 WeakPolarHBondContact CA-OG1 3.28Å; D656-T659 PolarHBondContact O-OG1 3.08Å; D656-T659 VanDerWaalsContact O-OG1 3.06Å; D656-K660 WeakPolarHBondContact O-CB 3.27Å; D656-K660 WeakPolarHBondContact O-CG 3.45Å; D656-K660 PolarHBondContact O-N 3.33Å
657	P	47.1	Very low	58.9	Low	82 Å²	82	82.4 Å²	82.4	53%	0.532	42%	0.415	S	S	.	.	H	α-helix	trans	-63.1	-33.6	170	-24.1	35.7	0	0	0	113.1	Q654 F655 C661	Q654-P657 WeakPolarHBondContact O-CD 3.44Å; F655-P657 VanDerWaalsContact C-CD 3.42Å; P657-C661 VanDerWaalsContact O-CB 3.3Å; P657-C661 WeakPolarHBondContact O-CB 3.2Å; P657-C661 PolarHBondContact O-N 3.19Å
658	Y	48.7	Very low	57.5	Low	159 Å²	159	86.2 Å²	86.2	62%	0.624	44%	0.436	S	S	*	.	H	α-helix	trans	-73.7	-41	179.4	-63.9	-96.8	0	0	0	110.9	F655 D656 C661 I662	F655-Y658 WeakPolarHBondContact O-CB 3.49Å; F655-Y658 PolarHBondContact O-N 3.23Å; D656-Y658 VanDerWaalsContact C-N 3.28Å; D656-Y658 PolarHBondContact O-N 2.81Å; Y658-C661 WeakPolarHBondContact O-CB 3.2Å; Y658-C661 PolarHBondContact O-N 2.68Å; Y658-I662 WeakPolarHBondContact O-CG1 3.03Å; Y658-I662 PolarHBondContact O-N 2.94Å
659	T	51.5	Low	56.1	Low	37 Å²	37	89.2 Å²	89.2	23%	0.227	45%	0.453	C	S	.	.	H	α-helix	trans	-68.7	-35.9	175.3	56	0	0	0	0	112.1	F655 D656 I662 H663 T720	F655-T659 PolarHBondContact O-N 3.28Å; D656-T659 WeakPolarHBondContact CA-OG1 3.28Å; D656-T659 PolarHBondContact O-OG1 3.08Å; D656-T659 VanDerWaalsContact O-OG1 3.06Å; T659-I662 PolarHBondContact O-N 2.78Å; T659-H663 PolarHBondContact O-CD2 2.78Å; T659-H663 VanDerWaalsContact O-CD2 3.32Å; T659-H663 PolarHBondContact O-N 3.19Å; T659-T720 HydrophobicContact CG2-CG2 3.55Å
660	K	51.8	Low	54.9	Low	101 Å²	101	93.7 Å²	93.7	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-39.9	168.1	-76.5	-171.4	174.2	-167.4	0	112.5	D656 H663 S664	D656-K660 WeakPolarHBondContact O-CB 3.27Å; D656-K660 WeakPolarHBondContact O-CG 3.45Å; D656-K660 PolarHBondContact O-N 3.33Å; K660-H663 PolarHBondContact O-N 3.07Å; K660-S664 PolarHBondContact O-N 2.85Å; K660-S664 PolarHBondContact O-OG 3.06Å
661	C	53.5	Low	53.8	Low	70 Å²	70	96.3 Å²	96.3	47%	0.473	49%	0.491	S	S	.	.	H	α-helix	trans	-70	-33.7	177.1	-168.3	0	0	0	0	113.1	P657 Y658 S664 K665	P657-C661 VanDerWaalsContact O-CB 3.3Å; P657-C661 WeakPolarHBondContact O-CB 3.2Å; P657-C661 PolarHBondContact O-N 3.19Å; Y658-C661 WeakPolarHBondContact O-CB 3.2Å; Y658-C661 PolarHBondContact O-N 2.68Å; C661-S664 WeakPolarHBondContact CA-OG 3.27Å; C661-S664 PolarHBondContact O-OG 2.86Å; C661-K665 PolarHBondContact O-N 3.27Å; C661-K665 VanDerWaalsContact O-N 3.14Å
662	I	55.9	Low	53	Low	103 Å²	103	98.9 Å²	98.9	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-52.1	170.1	-70.4	163.2	0	0	0	109.5	Y658 T659 S664 K665 E666	Y658-I662 WeakPolarHBondContact O-CG1 3.03Å; Y658-I662 PolarHBondContact O-N 2.94Å; T659-I662 PolarHBondContact O-N 2.78Å; I662-S664 VanDerWaalsContact C-N 3.32Å; I662-S664 PolarHBondContact O-N 2.76Å; I662-K665 PolarHBondContact O-N 3.39Å; I662-E666 VanDerWaalsContact O-CB 3.29Å; I662-E666 WeakPolarHBondContact O-CB 3.28Å; I662-E666 PolarHBondContact O-N 2.95Å
663	H	54	Low	52.4	Low	64 Å²	64	98.4 Å²	98.4	30%	0.296	50%	0.495	S	S	.	.	H	α-helix	trans	-66.6	-27.1	-179.5	-72.7	-46.1	0	0	0	114.2	T659 K660 E666 K667 T720	T659-H663 PolarHBondContact O-CD2 2.78Å; T659-H663 VanDerWaalsContact O-CD2 3.32Å; T659-H663 PolarHBondContact O-N 3.19Å; K660-H663 PolarHBondContact O-N 3.07Å; H663-E666 IonicContact CE1-OE2 2.7Å; H663-E666 IonicContact CG-OE2 2.63Å; H663-E666 IonicContact ND1-OE2 2.63Å; H663-E666 PolarHBondContact ND1-OE2 2.73Å; H663-K667 PolarHBondContact O-N 2.92Å; H663-T720 PolarHBondContact NE2-OG1 3.41Å
664	S	59.3	Low	51.9	Low	54 Å²	54	100.5 Å²	100.5	38%	0.378	51%	0.51	S	S	.	.	H	α-helix	trans	-68.4	-49.6	169.8	63.8	0	0	0	0	110.8	K660 C661 I662 E666 K667 D668	K660-S664 PolarHBondContact O-N 2.85Å; K660-S664 PolarHBondContact O-OG 3.06Å; C661-S664 WeakPolarHBondContact CA-OG 3.27Å; C661-S664 PolarHBondContact O-OG 2.86Å; I662-S664 VanDerWaalsContact C-N 3.32Å; I662-S664 PolarHBondContact O-N 2.76Å; S664-E666 VanDerWaalsContact C-N 3.29Å; S664-E666 PolarHBondContact O-N 3.04Å; S664-K667 WeakPolarHBondContact O-CB 3.24Å; S664-K667 PolarHBondContact O-N 2.78Å; S664-K667 VanDerWaalsContact O-N 3.14Å; S664-D668 PolarHBondContact O-N 2.64Å
665	K	57.7	Low	51.3	Low	140 Å²	140	98.1 Å²	98.1	61%	0.609	51%	0.507	S	S	*	.	H	α-helix	trans	-60.7	-36.5	175.3	-80.1	-166.6	170.6	-169.4	0	113.2	C661 I662 D668 L669	C661-K665 PolarHBondContact O-N 3.27Å; C661-K665 VanDerWaalsContact O-N 3.14Å; I662-K665 PolarHBondContact O-N 3.39Å; K665-D668 PolarHBondContact O-N 2.85Å; K665-L669 WeakPolarHBondContact O-CB 3.45Å; K665-L669 WeakPolarHBondContact O-CD1 2.78Å; K665-L669 WeakPolarHBondContact O-CG 3.3Å; K665-L669 PolarHBondContact O-N 3.05Å
666	E	57.7	Low	50.5	Low	95 Å²	95	95.4 Å²	95.4	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-40.7	176.2	-171.7	173.8	-135.4	0	0	111.2	I662 H663 S664 L670	I662-E666 VanDerWaalsContact O-CB 3.29Å; I662-E666 WeakPolarHBondContact O-CB 3.28Å; I662-E666 PolarHBondContact O-N 2.95Å; H663-E666 IonicContact CE1-OE2 2.7Å; H663-E666 IonicContact CG-OE2 2.63Å; H663-E666 IonicContact ND1-OE2 2.63Å; H663-E666 PolarHBondContact ND1-OE2 2.73Å; S664-E666 VanDerWaalsContact C-N 3.29Å; S664-E666 PolarHBondContact O-N 3.04Å; E666-L670 HydrophobicContact CG-CD1 4.42Å; E666-L670 WeakPolarHBondContact O-CB 3.32Å; E666-L670 WeakPolarHBondContact O-CD1 3.42Å; E666-L670 VanDerWaalsContact O-CG 3.29Å; E666-L670 WeakPolarHBondContact O-CG 3.46Å; E666-L670 PolarHBondContact O-N 3.34Å
667	K	59.3	Low	49.5	Very low	144 Å²	144	99.5 Å²	99.5	63%	0.626	54%	0.536	S	S	*	.	H	α-helix	trans	-65.4	-44.2	169.6	-82	-173.7	172.5	-175.4	0	112.7	H663 S664 L669 L670 I671	H663-K667 PolarHBondContact O-N 2.92Å; S664-K667 WeakPolarHBondContact O-CB 3.24Å; S664-K667 PolarHBondContact O-N 2.78Å; S664-K667 VanDerWaalsContact O-N 3.14Å; K667-L669 VanDerWaalsContact C-N 3.28Å; K667-L669 PolarHBondContact O-N 3.38Å; K667-L670 PolarHBondContact O-N 2.69Å; K667-I671 WeakPolarHBondContact O-CB 3.42Å; K667-I671 VanDerWaalsContact O-CG1 3.24Å; K667-I671 WeakPolarHBondContact O-CG1 3.38Å; K667-I671 PolarHBondContact O-N 3.2Å
668	D	56.7	Low	48.6	Very low	86 Å²	86	104.7 Å²	104.7	46%	0.46	55%	0.553	S	S	.	*	H	α-helix	trans	-60.7	-40.3	177.9	-60.5	-31.9	0	0	0	110.8	S664 K665 N672	S664-D668 PolarHBondContact O-N 2.64Å; K665-D668 PolarHBondContact O-N 2.85Å; D668-N672 WeakPolarHBondContact O-CB 3.25Å; D668-N672 PolarHBondContact O-N 3.29Å; D668-N672 PolarHBondContact O-ND2 2.83Å
669	L	54.9	Low	47.6	Very low	106 Å²	106	105.1 Å²	105.1	56%	0.555	57%	0.566	S	S	*	*	H	α-helix	trans	-66.2	-42.9	173.7	-73.7	165.8	0	0	0	112.4	K665 K667 N673	K665-L669 WeakPolarHBondContact O-CB 3.45Å; K665-L669 WeakPolarHBondContact O-CD1 2.78Å; K665-L669 WeakPolarHBondContact O-CG 3.3Å; K665-L669 PolarHBondContact O-N 3.05Å; K667-L669 VanDerWaalsContact C-N 3.28Å; K667-L669 PolarHBondContact O-N 3.38Å; L669-N673 VanDerWaalsContact O-CB 3.25Å; L669-N673 WeakPolarHBondContact O-CB 3.42Å; L669-N673 PolarHBondContact O-N 3.4Å; L669-N673 PolarHBondContact O-ND2 2.88Å; L669-N673 VanDerWaalsContact O-ND2 3.12Å
670	L	54.4	Low	46.5	Very low	115 Å²	115	111.1 Å²	111.1	60%	0.602	60%	0.595	S	S	*	*	H	α-helix	trans	-64.1	-40.5	175.8	-77.8	164.1	0	0	0	112.3	E666 K667 S674	E666-L670 HydrophobicContact CG-CD1 4.42Å; E666-L670 WeakPolarHBondContact O-CB 3.32Å; E666-L670 WeakPolarHBondContact O-CD1 3.42Å; E666-L670 VanDerWaalsContact O-CG 3.29Å; E666-L670 WeakPolarHBondContact O-CG 3.46Å; E666-L670 PolarHBondContact O-N 3.34Å; K667-L670 PolarHBondContact O-N 2.69Å; L670-S674 WeakPolarHBondContact O-CB 3.47Å; L670-S674 PolarHBondContact O-N 3.08Å; L670-S674 PolarHBondContact O-OG 2.75Å
671	I	52.8	Low	45.3	Very low	102 Å²	102	116.4 Å²	116.4	52%	0.523	61%	0.612	S	S	.	*	H	α-helix	trans	-64.5	-51.2	176.2	-69.8	164.2	0	0	0	109.7	K667 N673 S674 T675	K667-I671 WeakPolarHBondContact O-CB 3.42Å; K667-I671 VanDerWaalsContact O-CG1 3.24Å; K667-I671 WeakPolarHBondContact O-CG1 3.38Å; K667-I671 PolarHBondContact O-N 3.2Å; I671-N673 VanDerWaalsContact C-N 3.33Å; I671-N673 PolarHBondContact O-N 3.22Å; I671-S674 PolarHBondContact O-N 2.73Å; I671-S674 PolarHBondContact O-OG 2.88Å; I671-T675 PolarHBondContact O-OG1 2.93Å
672	N	47.6	Very low	44.1	Very low	103 Å²	103	120.3 Å²	120.3	55%	0.551	63%	0.627	S	S	*	*	H	α-helix	trans	-61.6	-38.5	179	-71.3	-30.8	0	0	0	112.8	D668 S674 T675	D668-N672 WeakPolarHBondContact O-CB 3.25Å; D668-N672 PolarHBondContact O-N 3.29Å; D668-N672 PolarHBondContact O-ND2 2.83Å; N672-S674 PolarHBondContact O-N 2.91Å; N672-T675 PolarHBondContact O-N 2.72Å; N672-T675 PolarHBondContact O-OG1 2.89Å
673	N	44.4	Very low	42.8	Very low	119 Å²	119	121.6 Å²	121.6	64%	0.636	63%	0.631	S	S	*	*	H	α-helix	trans	-71.3	-15.2	176.5	-71.9	-26.1	0	0	0	113.5	L669 I671	L669-N673 VanDerWaalsContact O-CB 3.25Å; L669-N673 WeakPolarHBondContact O-CB 3.42Å; L669-N673 PolarHBondContact O-N 3.4Å; L669-N673 PolarHBondContact O-ND2 2.88Å; L669-N673 VanDerWaalsContact O-ND2 3.12Å; I671-N673 VanDerWaalsContact C-N 3.33Å; I671-N673 PolarHBondContact O-N 3.22Å
674	S	39.4	Very low	41.6	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-4.6	179.5	71.2	0	0	0	0	114.6	L670 I671 N672	L670-S674 WeakPolarHBondContact O-CB 3.47Å; L670-S674 PolarHBondContact O-N 3.08Å; L670-S674 PolarHBondContact O-OG 2.75Å; I671-S674 PolarHBondContact O-N 2.73Å; I671-S674 PolarHBondContact O-OG 2.88Å; N672-S674 PolarHBondContact O-N 2.91Å
675	T	34.5	Very low	40	Very low	119 Å²	119	129.9 Å²	129.9	73%	0.73	67%	0.666	S	S	*	*	S	Bend	trans	-120.3	6.4	-179.7	32.7	0	0	0	0	114.8	I671 N672	I671-T675 PolarHBondContact O-OG1 2.93Å; N672-T675 PolarHBondContact O-N 2.72Å; N672-T675 PolarHBondContact O-OG1 2.89Å
676	S	29.9	Very low	38.7	Very low	87 Å²	87	131.8 Å²	131.8	61%	0.608	68%	0.678	S	S	*	*			trans	-123.8	58.4	-174	72.3	0	0	0	0	115.1
677	S	28.6	Very low	37.1	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	69%	0.694	S	S	*	*	S	Bend	trans	-99.1	129.5	154.7	57.3	0	0	0	0	109.7
678	E	28	Very low	35.6	Very low	191 Å²	191	135.1 Å²	135.1	89%	0.893	70%	0.702	S	S	*	*	S	Bend	trans	66.7	73.7	177.2	-55.3	-158.5	130.6	0	0	118.1
679	L	28.6	Very low	34.1	Very low	169 Å²	169	139.1 Å²	139.1	89%	0.885	72%	0.718	S	S	*	*			trans	-152.6	85	137.5	-121.6	167.8	0	0	0	112.9
680	I	28.4	Very low	32.9	Very low	163 Å²	163	141.3 Å²	141.3	84%	0.836	73%	0.729	S	S	*	*			trans	-88.8	110.8	171	-61	172.2	0	0	0	109
681	R	26.5	Very low	31.5	Very low	212 Å²	212	140.7 Å²	140.7	80%	0.8	73%	0.734	S	S	*	*			trans	176	119.8	145.9	-102.4	160.6	-178.4	-174.1	1.2	113.4
682	L	28.7	Very low	30.3	Very low	151 Å²	151	143.6 Å²	143.6	79%	0.791	75%	0.751	S	S	*	*			trans	65.4	148.8	147.2	-52	164.6	0	0	0	116
683	E	27.5	Very low	29.5	Very low	131 Å²	131	144.9 Å²	144.9	61%	0.612	76%	0.757	S	S	*	*			cis	-153.8	156.5	-5.7	-130.9	-172.7	167.9	0	0	111.2
684	K	29	Very low	28.6	Very low	145 Å²	145	146.1 Å²	146.1	63%	0.63	76%	0.763	S	S	*	*			trans	50.1	115.3	153	-71.2	157.2	-176.3	149.5	0	120.8
685	N	25.4	Very low	28	Very low	147 Å²	147	150.7 Å²	150.7	79%	0.786	77%	0.772	S	S	*	*				56.4	100.5	125.9	-53	7.1	0	0	0	119.5
686	E	30.6	Very low	27.5	Very low	180 Å²	180	151.4 Å²	151.4	84%	0.841	77%	0.771	S	S	*	*				-145.5	130.7	126.6	-130.8	167.9	-134.8	0	0	109.9
687	T	24	Very low	27.5	Very low	128 Å²	128	154 Å²	154	79%	0.785	78%	0.777	S	S	*	*			trans	-98.9	112.6	-169.8	-34.9	0	0	0	0	110.3
688	F	27.6	Very low	27.4	Very low	180 Å²	180	153.6 Å²	153.6	79%	0.789	77%	0.766	S	S	*	*			trans	-105.3	112.8	164.7	-85.6	-86.2	0	0	0	109.6	L690	F688-L690 PolarHBondContact O-N 3.32Å
689	E	24.9	Very low	27.4	Very low	171 Å²	171	150.4 Å²	150.4	80%	0.799	75%	0.754	S	S	*	*			trans	-71.9	116.5	175.9	-65.8	-178.4	144.5	0	0	109.9
690	L	29.4	Very low	27.3	Very low	151 Å²	151	151.6 Å²	151.6	79%	0.791	75%	0.747	S	S	*	*			trans	-123.8	30	173.1	-108.6	168.1	0	0	0	111.3	F688 D692	F688-L690 PolarHBondContact O-N 3.32Å; L690-D692 VanDerWaalsContact C-N 3.29Å; L690-D692 PolarHBondContact O-N 3.28Å; L690-D692 VanDerWaalsContact O-N 3.11Å
691	S	26	Very low	27.1	Very low	102 Å²	102	150.6 Å²	150.6	71%	0.713	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	58.5	-178.6	55.1	0	0	0	0	112.5
692	D	28.4	Very low	27.2	Very low	163 Å²	163	147.9 Å²	147.9	87%	0.872	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.3	17	175.3	-120	-14.1	0	0	0	114.9	L690	L690-D692 VanDerWaalsContact C-N 3.29Å; L690-D692 PolarHBondContact O-N 3.28Å; L690-D692 VanDerWaalsContact O-N 3.11Å
693	I	29.8	Very low	27.1	Very low	131 Å²	131	149.8 Å²	149.8	67%	0.672	75%	0.746	S	S	*	*			trans	-128.5	79.4	170.6	-53.9	-178.6	0	0	0	109.3	F695	I693-F695 HydrophobicContact CG2-CD2 3.98Å; I693-F695 PolarHBondContact O-N 3.03Å; I693-F695 VanDerWaalsContact O-N 3.08Å
694	N	24.9	Very low	27.2	Very low	145 Å²	145	152.6 Å²	152.6	78%	0.775	76%	0.759	S	S	*	*			trans	-82.2	77.9	177.6	-166	39.6	0	0	0	111.5	D696	N694-D696 PolarHBondContact O-N 3.11Å
695	F	27	Very low	27.1	Very low	189 Å²	189	151.8 Å²	151.8	83%	0.829	77%	0.766	S	S	*	*			trans	-84.2	88.9	165.6	-103.5	-77.8	0	0	0	109.6	I693 L697	I693-F695 HydrophobicContact CG2-CD2 3.98Å; I693-F695 PolarHBondContact O-N 3.03Å; I693-F695 VanDerWaalsContact O-N 3.08Å; F695-L697 VanDerWaalsContact C-N 3.29Å; F695-L697 PolarHBondContact O-N 3.17Å
696	D	25.5	Very low	27.2	Very low	133 Å²	133	150.8 Å²	150.8	71%	0.711	76%	0.761	S	S	*	*			trans	-75.2	76.5	-175.7	-155.5	-3.3	0	0	0	111.4	N694	N694-D696 PolarHBondContact O-N 3.11Å
697	L	29.3	Very low	27.1	Very low	141 Å²	141	150 Å²	150	74%	0.738	76%	0.757	S	S	*	*			trans	-101.8	80	175.7	-162.7	75.2	0	0	0	109.2	F695 I699	F695-L697 VanDerWaalsContact C-N 3.29Å; F695-L697 PolarHBondContact O-N 3.17Å; L697-I699 HydrophobicContact CD2-CD1 4.11Å; L697-I699 HydrophobicContact CD2-CG1 4.35Å; L697-I699 HydrophobicContact CG-CG1 4.29Å; L697-I699 PolarHBondContact O-N 3.32Å
698	D	25.9	Very low	27.3	Very low	102 Å²	102	151.7 Å²	151.7	55%	0.545	76%	0.761	S	S	.	*			trans	-66	70.3	-175.9	-170.9	16.3	0	0	0	112.8	R700	D698-R700 VanDerWaalsContact C-N 3.27Å; D698-R700 PolarHBondContact O-N 2.88Å; D698-R700 VanDerWaalsContact OD1-CG 3.29Å; D698-R700 WeakPolarHBondContact OD1-CG 3.23Å; D698-R700 IonicContact OD1-NE 3.18Å; D698-R700 IonicContact OD2-CZ 2.68Å; D698-R700 IonicContact OD2-NE 3.28Å; D698-R700 PolarHBondContact OD2-NE 3.13Å; D698-R700 IonicContact OD2-NH2 2.84Å; D698-R700 PolarHBondContact OD2-NH2 3.03Å; D698-R700 VanDerWaalsContact OD2-NH2 3.09Å
699	I	27.8	Very low	27.4	Very low	125 Å²	125	152.1 Å²	152.1	64%	0.641	76%	0.762	S	S	*	*			trans	-71.8	85.8	170.8	-56.6	-177.6	0	0	0	108	L697 L701	L697-I699 HydrophobicContact CD2-CD1 4.11Å; L697-I699 HydrophobicContact CD2-CG1 4.35Å; L697-I699 HydrophobicContact CG-CG1 4.29Å; L697-I699 PolarHBondContact O-N 3.32Å; I699-L701 VanDerWaalsContact C-N 3.3Å; I699-L701 PolarHBondContact O-N 2.85Å
700	R	26.4	Very low	27.5	Very low	194 Å²	194	151.7 Å²	151.7	73%	0.732	77%	0.765	S	S	*	*			trans	-66.6	88.2	173.5	-67.6	-168.2	-179.6	-157.5	-3.4	111.4	D698 N702	D698-R700 VanDerWaalsContact C-N 3.27Å; D698-R700 PolarHBondContact O-N 2.88Å; D698-R700 VanDerWaalsContact OD1-CG 3.29Å; D698-R700 WeakPolarHBondContact OD1-CG 3.23Å; D698-R700 IonicContact OD1-NE 3.18Å; D698-R700 IonicContact OD2-CZ 2.68Å; D698-R700 IonicContact OD2-NE 3.28Å; D698-R700 PolarHBondContact OD2-NE 3.13Å; D698-R700 IonicContact OD2-NH2 2.84Å; D698-R700 PolarHBondContact OD2-NH2 3.03Å; D698-R700 VanDerWaalsContact OD2-NH2 3.09Å; R700-N702 PolarHBondContact O-N 2.95Å
701	L	25.8	Very low	27.4	Very low	141 Å²	141	151.7 Å²	151.7	74%	0.738	76%	0.761	S	S	*	*			trans	-74.6	64.4	-178.1	-141.1	164.7	0	0	0	111	I699 K703	I699-L701 VanDerWaalsContact C-N 3.3Å; I699-L701 PolarHBondContact O-N 2.85Å; L701-K703 PolarHBondContact O-N 3.08Å
702	N	27.5	Very low	27.6	Very low	155 Å²	155	154.9 Å²	154.9	83%	0.829	77%	0.768	S	S	*	*			trans	-67.9	96.5	178.3	-99.2	-0	0	0	0	110.6	R700 Q704	R700-N702 PolarHBondContact O-N 2.95Å; N702-Q704 PolarHBondContact O-N 3.12Å
703	K	27.5	Very low	27.5	Very low	191 Å²	191	155 Å²	155	83%	0.83	76%	0.762	S	S	*	*			trans	-63.3	111.6	166.6	-67.3	176.7	177.8	177.3	0	109.9	L701	L701-K703 PolarHBondContact O-N 3.08Å
704	Q	29	Very low	27.3	Very low	191 Å²	191	154.3 Å²	154.3	89%	0.893	77%	0.765	S	S	*	*			trans	-129.1	117.2	146.7	-76.3	-165.3	-28.1	0	0	109.3	N702	N702-Q704 PolarHBondContact O-N 3.12Å
705	T	26.6	Very low	27.5	Very low	127 Å²	127	156 Å²	156	78%	0.779	77%	0.769	S	S	*	*			trans	-65.1	129.3	162.4	41.1	0	0	0	0	109.1
706	D	27.4	Very low	27.6	Very low	127 Å²	127	157 Å²	157	68%	0.679	77%	0.773	S	S	*	*				-171.2	153.1	112	-108.8	14.2	0	0	0	115
707	Q	28.6	Very low	27.8	Very low	163 Å²	163	155.6 Å²	155.6	76%	0.762	76%	0.764	S	S	*	*			trans	59.3	88	150.3	-65	170.9	55.8	0	0	119.4
708	L	28.1	Very low	27.8	Very low	163 Å²	163	150.8 Å²	150.8	85%	0.853	74%	0.743	S	S	*	*				23.7	104.1	125.7	-79.3	161.4	0	0	0	118
709	K	28.7	Very low	28.1	Very low	190 Å²	190	154 Å²	154	83%	0.826	75%	0.754	S	S	*	*			trans	-155.4	134.7	139.7	-110.3	172.8	-174.3	178.9	0	109.4	E711	K709-E711 PolarHBondContact O-N 3.27Å
710	D	28.6	Very low	28.3	Very low	161 Å²	161	150.2 Å²	150.2	86%	0.861	74%	0.737	S	S	*	*			trans	-78.6	65.7	179.8	-58.9	-63.9	0	0	0	111.6
711	E	25.8	Very low	28.7	Very low	152 Å²	152	144.1 Å²	144.1	71%	0.71	72%	0.717	S	S	*	*			trans	-76.9	118.3	158.7	-73.7	-176.4	168.1	0	0	108.4	K709 K713	K709-E711 PolarHBondContact O-N 3.27Å; E711-K713 PolarHBondContact O-N 2.91Å
712	I	31	Very low	29.1	Very low	168 Å²	168	140.5 Å²	140.5	86%	0.862	70%	0.697	S	S	*	*			trans	-67.2	85.9	170.3	-56.7	174.7	0	0	0	107.3
713	K	25.9	Very low	29.6	Very low	167 Å²	167	138.8 Å²	138.8	73%	0.726	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-59.2	130.5	172.4	-72.9	178	-179.9	171.5	0	107.6	E711 E715	E711-K713 PolarHBondContact O-N 2.91Å; K713-E715 PolarHBondContact O-N 2.85Å
714	P	26.5	Very low	30.7	Very low	116 Å²	116	131.9 Å²	131.9	75%	0.753	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-57.2	133.6	174.5	25.2	-33.5	0	0	0	108.2	K716	P714-K716 PolarHBondContact O-N 3.29Å
715	E	28.3	Very low	32.1	Very low	181 Å²	181	127.3 Å²	127.3	85%	0.846	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-52.7	128.1	175.7	-78.9	-174.5	120.5	0	0	108.8	K713 L717	K713-E715 PolarHBondContact O-N 2.85Å; E715-L717 PolarHBondContact O-N 3.28Å
716	K	29.6	Very low	34.1	Very low	210 Å²	210	123.9 Å²	123.9	91%	0.913	62%	0.616	S	S	*	*			trans	-71.4	77	169.1	-77.1	-167.8	172.1	-169.1	0	108.3	P714 S718	P714-K716 PolarHBondContact O-N 3.29Å; K716-S718 PolarHBondContact O-N 3.24Å
717	L	29.8	Very low	36.2	Very low	102 Å²	102	118.7 Å²	118.7	53%	0.534	59%	0.59	S	S	.	*			trans	-42.1	114.2	163.2	-82.1	161.1	0	0	0	107.5	E715 H719	E715-L717 PolarHBondContact O-N 3.28Å; L717-H719 PolarHBondContact O-N 2.72Å
718	S	29.6	Very low	38.1	Very low	40 Å²	40	114.1 Å²	114.1	28%	0.28	57%	0.566	S	S	.	*			trans	-61.9	142.7	-178.8	63.2	0	0	0	0	108.6	K716 T720 E721	K716-S718 PolarHBondContact O-N 3.24Å; S718-T720 PolarHBondContact O-N 3.06Å; S718-T720 PolarHBondContact OG-OG1 3.45Å; S718-T720 VanDerWaalsContact OG-OG1 3.07Å; S718-E721 PolarHBondContact O-N 3.49Å; S718-E721 PolarHBondContact OG-N 3.22Å
719	H	31.6	Very low	40	Very low	171 Å²	171	106.6 Å²	106.6	79%	0.792	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-15.4	-178.5	-71.5	-80.9	0	0	0	113	L717	L717-H719 PolarHBondContact O-N 2.72Å
720	T	31.7	Very low	41.6	Very low	44 Å²	44	102 Å²	102	27%	0.27	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-35	173.3	36.4	0	0	0	0	114.6	T659 H663 S718 L722 L723	T659-T720 HydrophobicContact CG2-CG2 3.55Å; H663-T720 PolarHBondContact NE2-OG1 3.41Å; S718-T720 PolarHBondContact O-N 3.06Å; S718-T720 PolarHBondContact OG-OG1 3.45Å; S718-T720 VanDerWaalsContact OG-OG1 3.07Å; T720-L722 VanDerWaalsContact C-N 3.27Å; T720-L722 PolarHBondContact O-N 2.78Å; T720-L723 PolarHBondContact O-N 2.72Å
721	E	34.8	Very low	42.9	Very low	67 Å²	67	94.7 Å²	94.7	31%	0.313	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-64.8	-33	179.2	-83.9	-152.8	111.1	0	0	112.6	S718 L723 S724 K725	S718-E721 PolarHBondContact O-N 3.49Å; S718-E721 PolarHBondContact OG-N 3.22Å; E721-L723 PolarHBondContact O-N 2.84Å; E721-L723 VanDerWaalsContact O-N 3.08Å; E721-S724 PolarHBondContact O-N 2.67Å; E721-S724 PolarHBondContact O-OG 3.36Å; E721-K725 IonicContact OE1-NZ 2.72Å; E721-K725 PolarHBondContact OE1-NZ 2.96Å
722	L	34.4	Very low	44	Very low	64 Å²	64	89 Å²	89	34%	0.335	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-52	-30.3	179.3	-79.4	168.5	0	0	0	114.2	T720 Y877	T720-L722 VanDerWaalsContact C-N 3.27Å; T720-L722 PolarHBondContact O-N 2.78Å; L722-Y877 WeakPolarHBondContact CD2-OH 3.43Å
723	L	38.9	Very low	44.6	Very low	120 Å²	120	85.4 Å²	85.4	63%	0.628	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-90.9	-7.1	-178.8	-63.1	174.7	0	0	0	113.9	T720 E721	T720-L723 PolarHBondContact O-N 2.72Å; E721-L723 PolarHBondContact O-N 2.84Å; E721-L723 VanDerWaalsContact O-N 3.08Å
724	S	50.5	Low	45	Very low	45 Å²	45	81.5 Å²	81.5	32%	0.315	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-28.1	-162.2	71.3	0	0	0	0	115.7	I649 E721	I649-S724 WeakPolarHBondContact CB-O 3.47Å; I649-S724 PolarHBondContact N-O 3.07Å; E721-S724 PolarHBondContact O-N 2.67Å; E721-S724 PolarHBondContact O-OG 3.36Å
725	K	57.6	Low	45.5	Very low	96 Å²	96	78.5 Å²	78.5	42%	0.417	39%	0.385	S	S	.	.	S	Bend	trans	-122.5	-18.2	-171.8	-70.4	169.5	178.7	168.3	0	114	F643 E721	F643-K725 PolarHBondContact N-O 2.99Å; E721-K725 IonicContact OE1-NZ 2.72Å; E721-K725 PolarHBondContact OE1-NZ 2.96Å
726	H	68.1	Low	46	Very low	55 Å²	55	74.8 Å²	74.8	26%	0.255	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.9	-167	-48.1	131.7	0	0	0	111.5	E640 L641 I649	E640-H726 HydrophobicContact CG-CB 4.19Å; L641-H726 VanDerWaalsContact O-CA 3.3Å; L641-H726 WeakPolarHBondContact O-CA 3.38Å; I649-H726 VanDerWaalsContact CD1-C 3.49Å; I649-H726 WeakPolarHBondContact CD1-O 3.3Å
727	A	71.7	Confident	46.9	Very low	17 Å²	17	70 Å²	70	14%	0.14	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.3	169.6	0	0	0	0	0	109.3	E640 L641 F643 I649 V742	E640-A727 CarbonylContact C-O 3.52Å; E640-A727 WeakPolarHBondContact CA-O 3.33Å; L641-A727 PolarHBondContact N-O 3.21Å; L641-A727 PolarHBondContact O-N 3.25Å; F643-A727 HydrophobicContact CE2-CB 4.25Å; I649-A727 HydrophobicContact CD1-CB 4.28Å; A727-V742 HydrophobicContact CB-CG1 4.41Å; A727-V742 HydrophobicContact CB-CG2 3.42Å; A727-V742 VanDerWaalsContact CB-CG2 3.42Å
728	R	68.2	Low	48.1	Very low	67 Å²	67	66.2 Å²	66.2	25%	0.253	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.5	178.7	-68.7	-171.8	-180	-174.7	9.3	112.9	L639 E640 C740 P875 Y877	L639-R728 CarbonylContact O-C 3.56Å; L639-R728 VanDerWaalsContact O-CA 3.27Å; L639-R728 WeakPolarHBondContact O-CA 3.43Å; E640-R728 HydrophobicContact CB-CG 4.05Å; E640-R728 HydrophobicContact CG-CG 4.1Å; E640-R728 IonicContact OE2-CZ 2.69Å; E640-R728 IonicContact OE2-NE 2.75Å; E640-R728 PolarHBondContact OE2-NE 3.42Å; E640-R728 IonicContact OE2-NH2 3.12Å; E640-R728 PolarHBondContact OE2-NH2 2.97Å; R728-C740 PolarHBondContact O-SG 2.89Å; R728-P875 PolarHBondContact NH1-O 3.34Å; R728-P875 VanDerWaalsContact NH1-O 3.08Å; R728-Y877 VanDerWaalsContact NH1-CD2 3.34Å; R728-Y877 VanDerWaalsContact NH1-CE2 3.35Å; R728-Y877 PolarHBondContact NH2-OH 2.9Å
729	I	69.1	Low	49.7	Very low	5 Å²	5	66.1 Å²	66.1	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.5	164.4	-31.2	179.5	0	0	0	106.3	A588 C638 L639 L641 T738 C740	A588-I729 HydrophobicContact CB-CD1 3.64Å; C638-I729 WeakPolarHBondContact CA-O 3.46Å; L639-I729 HydrophobicContact CB-CB 4.32Å; L639-I729 HydrophobicContact CB-CD1 4.28Å; L639-I729 HydrophobicContact CB-CG1 4.26Å; L639-I729 HydrophobicContact CD1-CD1 4.32Å; L639-I729 PolarHBondContact N-O 3.22Å; L639-I729 PolarHBondContact O-N 3.33Å; L641-I729 HydrophobicContact CD1-CD1 3.98Å; L641-I729 HydrophobicContact CD1-CG1 3.56Å; I729-T738 VanDerWaalsContact CG2-O 3.23Å; I729-T738 WeakPolarHBondContact CG2-O 3.5Å; I729-C740 HydrophobicContact CB-CB 4.37Å; I729-C740 HydrophobicContact CG1-CB 3.86Å; I729-C740 HydrophobicContact CG2-CB 4.33Å
730	Q	62.6	Low	51.7	Low	94 Å²	94	59.1 Å²	59.1	44%	0.439	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.9	165.6	-166.9	175.6	11.8	0	0	109	L637 C638	L637-Q730 CarbonylContact O-C 3.54Å; L637-Q730 WeakPolarHBondContact O-CA 3.44Å; C638-Q730 HydrophobicContact CB-CG 4.47Å
731	L	54.4	Low	54.1	Low	7 Å²	7	61.2 Å²	61.2	4%	0.037	32%	0.323	C	S	.	.			trans	-74.8	127.6	177.5	-163.2	85.7	0	0	0	109.8	V590 M633 L634 G636 L637	V590-L731 HydrophobicContact CB-CD1 3.96Å; V590-L731 HydrophobicContact CG2-CD1 4.45Å; M633-L731 HydrophobicContact CB-CD2 3.79Å; M633-L731 HydrophobicContact CE-CD1 3.92Å; M633-L731 HydrophobicContact CE-CD2 3.99Å; M633-L731 HydrophobicContact CG-CD2 4.31Å; L634-L731 WeakPolarHBondContact O-CD2 3.31Å; G636-L731 PolarHBondContact N-O 3.25Å; L637-L731 HydrophobicContact CB-CB 3.92Å; L637-L731 HydrophobicContact CD2-CB 4.43Å; L637-L731 HydrophobicContact CG-CB 4.49Å; L637-L731 PolarHBondContact O-N 2.67Å
732	H	49	Very low	56.3	Low	33 Å²	33	58.5 Å²	58.5	15%	0.153	31%	0.31	C	S	.	.			trans	-132.9	122.8	167.5	-158.9	-79.3	0	0	0	109.7	L506 N635 L734 M735	L506-H732 VanDerWaalsContact CB-NE2 3.3Å; L506-H732 WeakPolarHBondContact CB-NE2 3.33Å; L506-H732 PolarHBondContact O-NE2 3.08Å; N635-H732 PolarHBondContact ND2-CD2 3.25Å; N635-H732 PolarHBondContact ND2-NE2 3.03Å; N635-H732 WeakPolarHBondContact OD1-CA 3.43Å; N635-H732 PolarHBondContact OD1-CD2 2.87Å; N635-H732 PolarHBondContact OD1-NE2 2.78Å; H732-L734 PolarHBondContact O-N 3.2Å; H732-M735 HydrophobicContact CB-CB 4.26Å; H732-M735 HydrophobicContact CB-CG 3.89Å; H732-M735 WeakPolarHBondContact O-CB 3.48Å; H732-M735 PolarHBondContact O-N 2.91Å
733	E	43.8	Very low	58.7	Low	93 Å²	93	57.9 Å²	57.9	44%	0.435	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.1	-166.7	-172.2	-176.5	-174.5	0	0	112.9	W459 N635	W459-E733 HydrophobicContact CH2-CB 3.68Å; W459-E733 HydrophobicContact CH2-CG 3.72Å; W459-E733 WeakPolarHBondContact CH2-OE2 3.41Å; W459-E733 HydrophobicContact CZ3-CB 3.96Å; W459-E733 HydrophobicContact CZ3-CG 4.49Å; N635-E733 PolarHBondContact OD1-N 3.12Å
734	L	34.6	Very low	61	Low	85 Å²	85	52.2 Å²	52.2	45%	0.445	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-12.4	167.2	-69.8	172.3	0	0	0	114.7	W459 L506 H732	W459-L734 HydrophobicContact CB-CD1 4.41Å; W459-L734 HydrophobicContact CD2-CD1 3.86Å; W459-L734 HydrophobicContact CD2-CD2 4.09Å; W459-L734 HydrophobicContact CD2-CG 3.97Å; W459-L734 HydrophobicContact CE3-CD1 3.49Å; W459-L734 VanDerWaalsContact CE3-CD1 3.49Å; W459-L734 HydrophobicContact CE3-CD2 4.12Å; W459-L734 HydrophobicContact CE3-CG 3.51Å; W459-L734 HydrophobicContact CG-CD1 4.25Å; W459-L734 HydrophobicContact CH2-CD2 4.25Å; W459-L734 HydrophobicContact CH2-CG 4.06Å; W459-L734 HydrophobicContact CZ2-CD2 4.24Å; W459-L734 HydrophobicContact CZ2-CG 4.48Å; W459-L734 HydrophobicContact CZ3-CD1 4.06Å; W459-L734 HydrophobicContact CZ3-CD2 4.19Å; W459-L734 HydrophobicContact CZ3-CG 3.56Å; L506-L734 HydrophobicContact CD1-CD1 4.03Å; L506-L734 HydrophobicContact CD2-CD1 4.27Å; H732-L734 PolarHBondContact O-N 3.2Å
735	M	36.8	Very low	62.7	Low	52 Å²	52	50.4 Å²	50.4	26%	0.256	26%	0.263	S	S	.	.			trans	-93.4	116.6	-177.7	-68.3	-62.5	-64	0	0	109.9	I494 F498 H732 D737 T738	I494-M735 HydrophobicContact CG2-CE 4.3Å; F498-M735 HydrophobicContact CE1-SD 4.08Å; F498-M735 HydrophobicContact CE2-CE 4.21Å; F498-M735 HydrophobicContact CZ-CE 3.69Å; F498-M735 HydrophobicContact CZ-CG 4.23Å; F498-M735 HydrophobicContact CZ-SD 3.77Å; H732-M735 HydrophobicContact CB-CB 4.26Å; H732-M735 HydrophobicContact CB-CG 3.89Å; H732-M735 WeakPolarHBondContact O-CB 3.48Å; H732-M735 PolarHBondContact O-N 2.91Å; M735-D737 PolarHBondContact O-N 2.8Å; M735-T738 HydrophobicContact CB-CG2 3.79Å
736	S	39.1	Very low	64.1	Low	104 Å²	104	45.9 Å²	45.9	73%	0.727	24%	0.243	S	C	*	.	S	Bend	trans	-63.4	-27.7	176.9	49.5	0	0	0	0	113.5
737	D	47.8	Very low	64.7	Low	109 Å²	109	46.7 Å²	46.7	58%	0.583	25%	0.248	S	C	*	.			trans	-129.4	67.3	-169.1	-58.4	-80.3	0	0	0	110.4	M735 S739	M735-D737 PolarHBondContact O-N 2.8Å; D737-S739 PolarHBondContact O-N 2.79Å
738	T	55	Low	64.9	Low	23 Å²	23	51.4 Å²	51.4	14%	0.141	27%	0.267	C	S	.	.			trans	-74.8	9.3	170.5	49.5	0	0	0	0	113.7	N589 I729 M735 C740	N589-T738 PolarHBondContact OD1-O 3.35Å; N589-T738 PolarHBondContact OD1-OG1 2.96Å; I729-T738 VanDerWaalsContact CG2-O 3.23Å; I729-T738 WeakPolarHBondContact CG2-O 3.5Å; M735-T738 HydrophobicContact CB-CG2 3.79Å; T738-C740 PolarHBondContact O-N 2.94Å
739	S	64.8	Low	65.2	Low	37 Å²	37	52.9 Å²	52.9	26%	0.259	29%	0.288	S	S	.	.			trans	-71.5	113.3	-175.3	55.2	0	0	0	0	112	D737	D737-S739 PolarHBondContact O-N 2.79Å
740	C	73.4	Confident	65.7	Low	25 Å²	25	54.1 Å²	54.1	17%	0.169	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.2	167.4	-170.2	0	0	0	0	108.7	M587 A588 R728 I729 T738	M587-C740 CarbonylContact C-O 3.56Å; M587-C740 VanDerWaalsContact CA-O 3.31Å; M587-C740 WeakPolarHBondContact CA-O 3.32Å; A588-C740 PolarHBondContact N-O 3.49Å; A588-C740 PolarHBondContact O-N 2.9Å; R728-C740 PolarHBondContact O-SG 2.89Å; I729-C740 HydrophobicContact CB-CB 4.37Å; I729-C740 HydrophobicContact CG1-CB 3.86Å; I729-C740 HydrophobicContact CG2-CB 4.33Å; T738-C740 PolarHBondContact O-N 2.94Å
741	I	80.7	Confident	66.4	Low	88 Å²	88	52.7 Å²	52.7	45%	0.451	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.7	173.3	-61.4	174.7	0	0	0	107.4	Q585 M587	Q585-I741 HydrophobicContact CB-CG2 4.21Å; Q585-I741 HydrophobicContact CG-CG2 4.27Å; M587-I741 HydrophobicContact CB-CG1 4.14Å; M587-I741 HydrophobicContact CG-CG1 3.9Å
742	V	81.4	Confident	67.6	Low	9 Å²	9	60.6 Å²	60.6	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.9	-179.3	-170.8	0	0	0	0	107.9	Q585 I586 F643 I649 A727 I744	Q585-V742 CarbonylContact C-O 3.4Å; Q585-V742 WeakPolarHBondContact CA-O 3.43Å; I586-V742 PolarHBondContact N-O 2.82Å; I586-V742 PolarHBondContact O-N 2.96Å; F643-V742 HydrophobicContact CE2-CB 4.42Å; F643-V742 HydrophobicContact CE2-CG1 3.92Å; F643-V742 HydrophobicContact CE2-CG2 4.25Å; F643-V742 HydrophobicContact CZ-CB 4.04Å; F643-V742 HydrophobicContact CZ-CG1 3.95Å; F643-V742 HydrophobicContact CZ-CG2 3.99Å; I649-V742 HydrophobicContact CB-CG1 4.36Å; I649-V742 HydrophobicContact CD1-CG1 4.02Å; I649-V742 HydrophobicContact CG1-CG1 3.88Å; I649-V742 HydrophobicContact CG2-CG1 3.8Å; A727-V742 HydrophobicContact CB-CG1 4.41Å; A727-V742 HydrophobicContact CB-CG2 3.42Å; A727-V742 VanDerWaalsContact CB-CG2 3.42Å; V742-I744 HydrophobicContact CG1-CG2 4.18Å
743	E	85	Confident	69.4	Low	52 Å²	52	62.5 Å²	62.5	24%	0.243	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	132.3	166.2	-50.8	-148.1	144.5	0	0	108.7	N583 W584 Q585 K650	N583-E743 PolarHBondContact ND2-OE1 3.45Å; N583-E743 VanDerWaalsContact OD1-CD 3.25Å; N583-E743 PolarHBondContact OD1-OE1 3.18Å; N583-E743 PolarHBondContact OD1-OE2 3.49Å; W584-E743 WeakPolarHBondContact O-CA 3.43Å; Q585-E743 HydrophobicContact CG-CG 4.09Å; Q585-E743 PolarHBondContact NE2-OE1 3.34Å; K650-E743 HydrophobicContact CB-CB 3.99Å; K650-E743 WeakPolarHBondContact CB-O 3.25Å; K650-E743 HydrophobicContact CD-CB 4.02Å; K650-E743 WeakPolarHBondContact CE-OE2 3.37Å; K650-E743 PolarHBondContact N-O 3.49Å; K650-E743 IonicContact NZ-OE2 2.76Å; K650-E743 PolarHBondContact NZ-OE2 3.47Å
744	I	88	Confident	71.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	158.8	178.5	58.2	157	0	0	0	110.2	L577 W584 I586 F643 I647 Q648 V742	L577-I744 HydrophobicContact CD1-CD1 4.16Å; W584-I744 HydrophobicContact CB-CD1 4.46Å; W584-I744 HydrophobicContact CB-CG1 3.91Å; W584-I744 PolarHBondContact O-N 2.58Å; I586-I744 HydrophobicContact CD1-CD1 3.68Å; I586-I744 HydrophobicContact CD1-CG1 4.49Å; I586-I744 HydrophobicContact CG1-CD1 3.97Å; I586-I744 HydrophobicContact CG1-CG1 4.4Å; F643-I744 HydrophobicContact CD1-CG2 4.24Å; F643-I744 HydrophobicContact CE1-CG2 4.17Å; I647-I744 HydrophobicContact CD1-CD1 4.34Å; I647-I744 HydrophobicContact CG2-CD1 4.5Å; Q648-I744 WeakPolarHBondContact O-CA 3.26Å; V742-I744 HydrophobicContact CG1-CG2 4.18Å
745	E	85.7	Confident	73.7	Confident	7 Å²	7	55.9 Å²	55.9	3%	0.033	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.4	172.3	60.4	175.3	-162.3	0	0	111.9	I647 Q648 K650 Y1014 K1018	I647-E745 WeakPolarHBondContact CA-O 3.36Å; Q648-E745 HydrophobicContact CG-CG 3.8Å; Q648-E745 PolarHBondContact N-O 3.08Å; Q648-E745 PolarHBondContact NE2-OE1 3.4Å; Q648-E745 PolarHBondContact O-N 2.81Å; K650-E745 HydrophobicContact CB-CB 4.41Å; K650-E745 HydrophobicContact CB-CG 3.98Å; K650-E745 HydrophobicContact CG-CG 4.28Å; E745-Y1014 HydrophobicContact CB-CE1 3.98Å; E745-K1018 IonicContact OE1-NZ 3.67Å; E745-K1018 PolarHBondContact OE1-NZ 3.21Å; E745-K1018 IonicContact OE2-NZ 3.74Å; E745-K1018 PolarHBondContact OE2-NZ 2.84Å
746	P	86.4	Confident	75.9	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	148.5	174	30.6	-33.6	0	0	0	110.6	W584 D646 E748 V1011 Y1014 L1015	W584-P746 HydrophobicContact CH2-CB 4.2Å; W584-P746 HydrophobicContact CH2-CG 3.72Å; W584-P746 HydrophobicContact CZ2-CG 4.49Å; W584-P746 HydrophobicContact CZ3-CB 4.12Å; W584-P746 HydrophobicContact CZ3-CG 3.9Å; D646-P746 CarbonylContact O-C 3.59Å; D646-P746 WeakPolarHBondContact O-CA 3.39Å; P746-E748 PolarHBondContact O-N 3.23Å; P746-V1011 HydrophobicContact CB-CG1 3.86Å; P746-V1011 HydrophobicContact CG-CG1 4.18Å; P746-Y1014 HydrophobicContact CG-CD1 3.69Å; P746-Y1014 HydrophobicContact CG-CE1 4.16Å; P746-Y1014 HydrophobicContact CG-CG 4.45Å; P746-L1015 HydrophobicContact CB-CD2 4.39Å; P746-L1015 HydrophobicContact CG-CD2 3.89Å; P746-L1015 HydrophobicContact CG-CG 4.07Å
747	M	82	Confident	78.2	Confident	73 Å²	73	56.6 Å²	56.6	36%	0.36	29%	0.293	S	S	.	.			trans	-66.8	131.2	177.4	-64.3	-177.5	71.4	0	0	111.2	D646 S749 L750	D646-M747 PolarHBondContact O-N 3.44Å; M747-S749 PolarHBondContact O-N 2.97Å; M747-L750 HydrophobicContact CB-CD1 3.9Å; M747-L750 HydrophobicContact CB-CG 4.18Å; M747-L750 WeakPolarHBondContact O-CB 3.23Å; M747-L750 PolarHBondContact O-N 3.44Å
748	E	74.2	Confident	79.8	Confident	115 Å²	115	52.6 Å²	52.6	54%	0.537	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65.5	-24.9	-170.4	-63.5	-179.7	164.7	0	0	113.7	P746 L750 K1018	P746-E748 PolarHBondContact O-N 3.23Å; E748-L750 PolarHBondContact O-N 3.34Å; E748-L750 VanDerWaalsContact O-N 3.11Å; E748-K1018 WeakPolarHBondContact OE1-CD 3.29Å; E748-K1018 WeakPolarHBondContact OE1-CE 3.07Å; E748-K1018 IonicContact OE1-NZ 3.86Å; E748-K1018 PolarHBondContact OE1-NZ 3.07Å
749	S	75.6	Confident	81.1	Confident	99 Å²	99	54.3 Å²	54.3	69%	0.692	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-73.2	7.2	178.4	59.3	0	0	0	0	114.9	M747	M747-S749 PolarHBondContact O-N 2.97Å
750	L	79	Confident	81.9	Confident	30 Å²	30	55.3 Å²	55.3	16%	0.157	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-116.5	12.4	-171.1	-55.4	179.6	0	0	0	114.2	D646 M747 E748 E752 K753 Y754	D646-L750 HydrophobicContact CB-CD1 3.45Å; D646-L750 VanDerWaalsContact CB-CD1 3.45Å; D646-L750 VanDerWaalsContact CG-CD1 3.45Å; D646-L750 WeakPolarHBondContact OD1-CD1 3.14Å; M747-L750 HydrophobicContact CB-CD1 3.9Å; M747-L750 HydrophobicContact CB-CG 4.18Å; M747-L750 WeakPolarHBondContact O-CB 3.23Å; M747-L750 PolarHBondContact O-N 3.44Å; E748-L750 PolarHBondContact O-N 3.34Å; E748-L750 VanDerWaalsContact O-N 3.11Å; L750-E752 VanDerWaalsContact C-N 3.28Å; L750-E752 PolarHBondContact O-N 3.4Å; L750-K753 HydrophobicContact CB-CB 4.45Å; L750-K753 HydrophobicContact CD2-CD 4.04Å; L750-K753 PolarHBondContact O-N 3.15Å; L750-Y754 HydrophobicContact CB-CD2 4.03Å; L750-Y754 HydrophobicContact CB-CE2 4.26Å; L750-Y754 HydrophobicContact CD1-CE2 4.36Å; L750-Y754 PolarHBondContact O-N 2.83Å
751	E	78.2	Confident	82.3	Confident	64 Å²	64	55 Å²	55	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-37.2	-178.1	-170.6	170.2	-166.7	0	0	112.7	S755 L1015 R1016	E751-S755 WeakPolarHBondContact O-CB 3.34Å; E751-S755 PolarHBondContact O-N 3.15Å; E751-S755 VanDerWaalsContact O-N 3.13Å; E751-S755 PolarHBondContact O-OG 2.85Å; E751-L1015 HydrophobicContact CB-CB 4.35Å; E751-L1015 HydrophobicContact CB-CD1 4.15Å; E751-L1015 HydrophobicContact CG-CB 4.16Å; E751-R1016 WeakPolarHBondContact OE1-CG 3.24Å
752	E	79.7	Confident	82.1	Confident	174 Å²	174	56.3 Å²	56.3	81%	0.813	29%	0.294	S	S	*	.	H	α-helix	trans	-68.2	-51.1	174.8	-63.4	-172.4	146.8	0	0	111.7	L750 Y754 S755 E756	L750-E752 VanDerWaalsContact C-N 3.28Å; L750-E752 PolarHBondContact O-N 3.4Å; E752-Y754 VanDerWaalsContact C-N 3.28Å; E752-Y754 PolarHBondContact O-N 2.95Å; E752-S755 CarbonylContact O-C 3.56Å; E752-S755 WeakPolarHBondContact O-CA 3.38Å; E752-S755 PolarHBondContact O-N 2.95Å; E752-E756 PolarHBondContact O-N 3.06Å
753	K	86.3	Confident	81.9	Confident	73 Å²	73	61.2 Å²	61.2	32%	0.317	32%	0.317	S	S	.	.	H	α-helix	trans	-51.3	-43.9	177.6	-178.4	-173.6	-176.9	-175.1	0	112.6	D646 L750 R757	D646-K753 IonicContact OD1-NZ 2.66Å; D646-K753 PolarHBondContact OD1-NZ 3.45Å; D646-K753 WeakPolarHBondContact OD2-CE 3.31Å; D646-K753 IonicContact OD2-NZ 2.69Å; D646-K753 PolarHBondContact OD2-NZ 3.38Å; L750-K753 HydrophobicContact CB-CB 4.45Å; L750-K753 HydrophobicContact CD2-CD 4.04Å; L750-K753 PolarHBondContact O-N 3.15Å; K753-R757 WeakPolarHBondContact O-CG 3.38Å; K753-R757 PolarHBondContact O-N 3.39Å
754	Y	85.5	Confident	81.2	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-79	-25.1	179.1	-81.7	-81.5	0	0	0	113.8	D646 L750 E752 R757 S758 V866 P1008 V1011	D646-Y754 HydrophobicContact CB-CE2 4.11Å; D646-Y754 VanDerWaalsContact OD2-CE2 3.26Å; D646-Y754 WeakPolarHBondContact OD2-CE2 3.41Å; D646-Y754 VanDerWaalsContact OD2-CZ 3.31Å; D646-Y754 PolarHBondContact OD2-OH 2.98Å; L750-Y754 HydrophobicContact CB-CD2 4.03Å; L750-Y754 HydrophobicContact CB-CE2 4.26Å; L750-Y754 HydrophobicContact CD1-CE2 4.36Å; L750-Y754 PolarHBondContact O-N 2.83Å; E752-Y754 VanDerWaalsContact C-N 3.28Å; E752-Y754 PolarHBondContact O-N 2.95Å; Y754-R757 PolarHBondContact OH-NH1 3.31Å; Y754-R757 VanDerWaalsContact OH-NH1 3.1Å; Y754-S758 WeakPolarHBondContact O-CB 3.4Å; Y754-S758 PolarHBondContact O-N 2.95Å; Y754-V866 HydrophobicContact CE1-CG2 4.2Å; Y754-P1008 HydrophobicContact CD1-CB 3.92Å; Y754-V1011 HydrophobicContact CD1-CB 3.52Å; Y754-V1011 HydrophobicContact CD1-CG1 3.56Å; Y754-V1011 HydrophobicContact CD1-CG2 3.79Å; Y754-V1011 HydrophobicContact CD2-CG1 3.72Å; Y754-V1011 HydrophobicContact CE1-CB 4.03Å; Y754-V1011 HydrophobicContact CE1-CG1 3.93Å; Y754-V1011 HydrophobicContact CE1-CG2 3.82Å; Y754-V1011 HydrophobicContact CE2-CG1 4.1Å; Y754-V1011 HydrophobicContact CG-CB 3.84Å; Y754-V1011 HydrophobicContact CG-CG1 3.45Å; Y754-V1011 VanDerWaalsContact CG-CG1 3.45Å
755	S	82.4	Confident	80.3	Confident	39 Å²	39	64.1 Å²	64.1	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-73.9	-35	171.8	-57.3	0	0	0	0	111.8	E751 E752 S758 A759 S1012	E751-S755 WeakPolarHBondContact O-CB 3.34Å; E751-S755 PolarHBondContact O-N 3.15Å; E751-S755 VanDerWaalsContact O-N 3.13Å; E751-S755 PolarHBondContact O-OG 2.85Å; E752-S755 CarbonylContact O-C 3.56Å; E752-S755 WeakPolarHBondContact O-CA 3.38Å; E752-S755 PolarHBondContact O-N 2.95Å; S755-S758 WeakPolarHBondContact O-CB 3.45Å; S755-S758 PolarHBondContact O-N 3.26Å; S755-A759 PolarHBondContact O-N 3.34Å; S755-S1012 PolarHBondContact OG-OG 3.41Å
756	E	84.9	Confident	79.6	Confident	127 Å²	127	66.9 Å²	66.9	59%	0.593	35%	0.347	S	S	*	.	H	α-helix	trans	-65	-48.9	169.5	-175	-176.9	-162.6	0	0	111.3	E752 S758 A759 I760	E752-E756 PolarHBondContact O-N 3.06Å; E756-S758 VanDerWaalsContact C-N 3.26Å; E756-S758 PolarHBondContact O-N 3.05Å; E756-A759 WeakPolarHBondContact O-CB 3.42Å; E756-A759 PolarHBondContact O-N 2.94Å; E756-I760 HydrophobicContact CG-CD1 3.91Å; E756-I760 HydrophobicContact CG-CG1 4.45Å; E756-I760 WeakPolarHBondContact O-CG1 3.31Å; E756-I760 PolarHBondContact O-N 3.38Å
757	R	85.5	Confident	78.8	Confident	44 Å²	44	70.9 Å²	70.9	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-56.8	-38.5	174	-74.4	178	167.1	-159.8	-6.2	112.8	K753 Y754 K761 E862 L863 H865 P1008	K753-R757 WeakPolarHBondContact O-CG 3.38Å; K753-R757 PolarHBondContact O-N 3.39Å; Y754-R757 PolarHBondContact OH-NH1 3.31Å; Y754-R757 VanDerWaalsContact OH-NH1 3.1Å; R757-K761 VanDerWaalsContact O-CB 3.26Å; R757-K761 WeakPolarHBondContact O-CB 3.39Å; R757-K761 PolarHBondContact O-N 3.12Å; R757-E862 PolarHBondContact NH1-O 3.22Å; R757-E862 PolarHBondContact NH2-O 2.96Å; R757-L863 HydrophobicContact CB-CD2 4.02Å; R757-L863 HydrophobicContact CG-CD2 4.12Å; R757-H865 PolarHBondContact NH1-O 2.88Å; R757-P1008 HydrophobicContact CB-CB 3.79Å; R757-P1008 HydrophobicContact CB-CG 4.29Å
758	S	82.6	Confident	77.9	Confident	25 Å²	25	68.7 Å²	68.7	18%	0.175	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-45.5	173.3	177.4	0	0	0	0	111.9	Y754 S755 E756 K761 L762 D1009	Y754-S758 WeakPolarHBondContact O-CB 3.4Å; Y754-S758 PolarHBondContact O-N 2.95Å; S755-S758 WeakPolarHBondContact O-CB 3.45Å; S755-S758 PolarHBondContact O-N 3.26Å; E756-S758 VanDerWaalsContact C-N 3.26Å; E756-S758 PolarHBondContact O-N 3.05Å; S758-K761 PolarHBondContact O-N 2.79Å; S758-L762 WeakPolarHBondContact O-CB 3.46Å; S758-L762 PolarHBondContact O-N 2.69Å; S758-D1009 VanDerWaalsContact CB-OD1 3.24Å; S758-D1009 WeakPolarHBondContact CB-OD1 3.5Å; S758-D1009 PolarHBondContact OG-OD1 2.93Å
759	A	82	Confident	77.4	Confident	58 Å²	58	66.8 Å²	66.8	48%	0.479	35%	0.348	S	S	.	.	H	α-helix	trans	-64.1	-44.1	175.8	0	0	0	0	0	112.8	S755 E756 L762 Q763	S755-A759 PolarHBondContact O-N 3.34Å; E756-A759 WeakPolarHBondContact O-CB 3.42Å; E756-A759 PolarHBondContact O-N 2.94Å; A759-L762 PolarHBondContact O-N 3.33Å; A759-Q763 PolarHBondContact O-N 3.31Å
760	I	81.3	Confident	76.8	Confident	58 Å²	58	68 Å²	68	30%	0.297	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-45.2	176.1	-64.8	166.9	0	0	0	110.4	E756 L762 Q763 Y764 L863	E756-I760 HydrophobicContact CG-CD1 3.91Å; E756-I760 HydrophobicContact CG-CG1 4.45Å; E756-I760 WeakPolarHBondContact O-CG1 3.31Å; E756-I760 PolarHBondContact O-N 3.38Å; I760-L762 VanDerWaalsContact C-N 3.33Å; I760-L762 PolarHBondContact O-N 3.09Å; I760-Q763 PolarHBondContact O-N 3.1Å; I760-Y764 HydrophobicContact CG2-CD2 3.81Å; I760-Y764 HydrophobicContact CG2-CE2 4.01Å; I760-Y764 WeakPolarHBondContact O-CD2 3.39Å; I760-Y764 PolarHBondContact O-N 3.42Å; I760-L863 HydrophobicContact CB-CD2 4.06Å; I760-L863 HydrophobicContact CG2-CD1 4.36Å; I760-L863 HydrophobicContact CG2-CD2 3.89Å
761	K	81.4	Confident	75.5	Confident	19 Å²	19	72.2 Å²	72.2	8%	0.083	36%	0.364	C	S	.	.	H	α-helix	trans	-56.4	-46.1	174.1	176.9	-163.8	172.1	-165.8	0	111.2	R757 S758 Y764 L765 Y864 D1007 P1008 D1009	R757-K761 VanDerWaalsContact O-CB 3.26Å; R757-K761 WeakPolarHBondContact O-CB 3.39Å; R757-K761 PolarHBondContact O-N 3.12Å; S758-K761 PolarHBondContact O-N 2.79Å; K761-Y764 PolarHBondContact O-N 3.2Å; K761-L765 HydrophobicContact CG-CD1 4.13Å; K761-L765 WeakPolarHBondContact O-CB 3.42Å; K761-L765 VanDerWaalsContact O-CG 3.3Å; K761-L765 WeakPolarHBondContact O-CG 3.47Å; K761-L765 PolarHBondContact O-N 2.83Å; K761-Y864 WeakPolarHBondContact CE-OH 3.5Å; K761-D1007 IonicContact NZ-OD1 2.67Å; K761-D1007 PolarHBondContact NZ-OD1 2.89Å; K761-D1007 IonicContact NZ-OD2 3.81Å; K761-D1007 PolarHBondContact NZ-OD2 2.71Å; K761-P1008 HydrophobicContact CD-CG 4Å; K761-D1009 IonicContact NZ-OD2 2.76Å; K761-D1009 PolarHBondContact NZ-OD2 3.03Å
762	L	76.4	Confident	73.7	Confident	115 Å²	115	74.8 Å²	74.8	60%	0.602	39%	0.386	S	S	*	.	H	α-helix	trans	-64.4	-39.9	179.1	-167.8	72.5	0	0	0	112	S758 A759 I760 T766	S758-L762 WeakPolarHBondContact O-CB 3.46Å; S758-L762 PolarHBondContact O-N 2.69Å; A759-L762 PolarHBondContact O-N 3.33Å; I760-L762 VanDerWaalsContact C-N 3.33Å; I760-L762 PolarHBondContact O-N 3.09Å; L762-T766 WeakPolarHBondContact O-CB 3.29Å; L762-T766 PolarHBondContact O-N 3.27Å; L762-T766 PolarHBondContact O-OG1 2.78Å
763	Q	77.2	Confident	71.7	Confident	113 Å²	113	71.6 Å²	71.6	53%	0.528	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-49.5	173.5	-178.9	177.5	-20.3	0	0	111.3	A759 I760 L765 T766 E767	A759-Q763 PolarHBondContact O-N 3.31Å; I760-Q763 PolarHBondContact O-N 3.1Å; Q763-L765 PolarHBondContact O-N 2.9Å; Q763-T766 CarbonylContact O-C 3.54Å; Q763-T766 WeakPolarHBondContact O-CA 3.48Å; Q763-T766 WeakPolarHBondContact O-CB 3.37Å; Q763-T766 PolarHBondContact O-N 2.81Å; Q763-E767 HydrophobicContact CG-CG 4.42Å; Q763-E767 WeakPolarHBondContact CG-OE1 3.47Å; Q763-E767 PolarHBondContact NE2-OE1 3.12Å; Q763-E767 PolarHBondContact O-N 3.48Å
764	Y	71.2	Confident	69.3	Low	68 Å²	68	73 Å²	73	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-59.3	-43.4	177.5	-94.8	-93.3	0	0	0	112.4	I760 K761 T766 E767 L768 K859	I760-Y764 HydrophobicContact CG2-CD2 3.81Å; I760-Y764 HydrophobicContact CG2-CE2 4.01Å; I760-Y764 WeakPolarHBondContact O-CD2 3.39Å; I760-Y764 PolarHBondContact O-N 3.42Å; K761-Y764 PolarHBondContact O-N 3.2Å; Y764-T766 VanDerWaalsContact C-N 3.29Å; Y764-T766 PolarHBondContact O-N 3.1Å; Y764-E767 PolarHBondContact O-N 3.18Å; Y764-L768 WeakPolarHBondContact O-CB 3.34Å; Y764-L768 VanDerWaalsContact O-CD1 3.32Å; Y764-L768 WeakPolarHBondContact O-CD1 3.1Å; Y764-L768 WeakPolarHBondContact O-CG 3.19Å; Y764-L768 PolarHBondContact O-N 2.85Å; Y764-K859 HydrophobicContact CE1-CD 4.37Å; Y764-K859 WeakPolarHBondContact OH-CD 3.21Å; Y764-K859 PolarHBondContact OH-NZ 3.2Å
765	L	69.3	Low	66.6	Low	44 Å²	44	81.7 Å²	81.7	23%	0.23	44%	0.436	C	S	.	.	H	α-helix	trans	-58.8	-42.2	173.5	-73.5	170	0	0	0	111.7	K761 Q763 L768 L769 L837	K761-L765 HydrophobicContact CG-CD1 4.13Å; K761-L765 WeakPolarHBondContact O-CB 3.42Å; K761-L765 VanDerWaalsContact O-CG 3.3Å; K761-L765 WeakPolarHBondContact O-CG 3.47Å; K761-L765 PolarHBondContact O-N 2.83Å; Q763-L765 PolarHBondContact O-N 2.9Å; L765-L768 PolarHBondContact O-N 3.38Å; L765-L769 WeakPolarHBondContact O-CB 3.41Å; L765-L769 WeakPolarHBondContact O-CD1 3.21Å; L765-L769 VanDerWaalsContact O-CG 3.25Å; L765-L769 WeakPolarHBondContact O-CG 3.35Å; L765-L769 PolarHBondContact O-N 3.08Å; L765-L837 HydrophobicContact CD2-CD1 3.5Å; L765-L837 VanDerWaalsContact CD2-CD1 3.5Å; L765-L837 HydrophobicContact CD2-CD2 3.99Å; L765-L837 HydrophobicContact CD2-CG 4.36Å
766	T	70.4	Confident	64	Low	66 Å²	66	86.9 Å²	86.9	41%	0.405	46%	0.46	S	S	.	.	H	α-helix	trans	-67.5	-42	179.2	-56.2	0	0	0	0	111.7	L762 Q763 Y764 L769 N770	L762-T766 WeakPolarHBondContact O-CB 3.29Å; L762-T766 PolarHBondContact O-N 3.27Å; L762-T766 PolarHBondContact O-OG1 2.78Å; Q763-T766 CarbonylContact O-C 3.54Å; Q763-T766 WeakPolarHBondContact O-CA 3.48Å; Q763-T766 WeakPolarHBondContact O-CB 3.37Å; Q763-T766 PolarHBondContact O-N 2.81Å; Y764-T766 VanDerWaalsContact C-N 3.29Å; Y764-T766 PolarHBondContact O-N 3.1Å; T766-L769 PolarHBondContact O-N 2.69Å; T766-N770 WeakPolarHBondContact CG2-ND2 3.47Å; T766-N770 WeakPolarHBondContact O-CB 3.36Å; T766-N770 PolarHBondContact O-N 2.87Å; T766-N770 PolarHBondContact O-ND2 2.83Å
767	E	68.8	Low	61.4	Low	84 Å²	84	87.1 Å²	87.1	39%	0.393	47%	0.473	S	S	.	.	H	α-helix	trans	-66.3	-36.7	175.8	-72.8	179.7	-157.5	0	0	112.9	Q763 Y764 K771	Q763-E767 HydrophobicContact CG-CG 4.42Å; Q763-E767 WeakPolarHBondContact CG-OE1 3.47Å; Q763-E767 PolarHBondContact NE2-OE1 3.12Å; Q763-E767 PolarHBondContact O-N 3.48Å; Y764-E767 PolarHBondContact O-N 3.18Å; E767-K771 WeakPolarHBondContact O-CG 3.43Å; E767-K771 PolarHBondContact O-N 2.83Å
768	L	64	Low	58.4	Low	28 Å²	28	89 Å²	89	15%	0.147	49%	0.493	C	S	.	.	H	α-helix	trans	-69.5	-39.4	176.4	-70.6	162	0	0	0	112.3	Y764 L765 L837 R840 F856	Y764-L768 WeakPolarHBondContact O-CB 3.34Å; Y764-L768 VanDerWaalsContact O-CD1 3.32Å; Y764-L768 WeakPolarHBondContact O-CD1 3.1Å; Y764-L768 WeakPolarHBondContact O-CG 3.19Å; Y764-L768 PolarHBondContact O-N 2.85Å; L765-L768 PolarHBondContact O-N 3.38Å; L768-L837 HydrophobicContact CB-CD2 4Å; L768-L837 HydrophobicContact CD1-CD2 3.66Å; L768-L837 HydrophobicContact CG-CD2 4.43Å; L768-R840 PolarHBondContact O-NH1 3.36Å; L768-F856 HydrophobicContact CD1-CE2 3.75Å; L768-F856 HydrophobicContact CD1-CZ 4.05Å; L768-F856 HydrophobicContact CD2-CE2 3.88Å; L768-F856 HydrophobicContact CD2-CZ 4.4Å; L768-F856 HydrophobicContact CG-CE2 4.38Å
769	L	64.1	Low	55.8	Low	74 Å²	74	98 Å²	98	39%	0.387	53%	0.525	S	S	.	.	H	α-helix	trans	-73.9	-38.8	179	-71.9	168.5	0	0	0	112.2	L765 T766 R840	L765-L769 WeakPolarHBondContact O-CB 3.41Å; L765-L769 WeakPolarHBondContact O-CD1 3.21Å; L765-L769 VanDerWaalsContact O-CG 3.25Å; L765-L769 WeakPolarHBondContact O-CG 3.35Å; L765-L769 PolarHBondContact O-N 3.08Å; T766-L769 PolarHBondContact O-N 2.69Å; L769-R840 PolarHBondContact O-NH1 2.74Å; L769-R840 VanDerWaalsContact O-NH1 3.09Å
770	N	62.3	Low	53.4	Low	125 Å²	125	104.1 Å²	104.1	67%	0.668	54%	0.543	S	S	*	.	H	α-helix	trans	-80.5	-9.4	-175.8	-71.5	-15.4	0	0	0	115	T766	T766-N770 WeakPolarHBondContact CG2-ND2 3.47Å; T766-N770 WeakPolarHBondContact O-CB 3.36Å; T766-N770 PolarHBondContact O-N 2.87Å; T766-N770 PolarHBondContact O-ND2 2.83Å
771	K	52.6	Low	51	Low	118 Å²	118	108.4 Å²	108.4	51%	0.513	57%	0.566	S	S	.	*	S	Bend	trans	-68.5	126	170.1	-81.8	175.3	-178.6	177.9	0	109.8	E767	E767-K771 WeakPolarHBondContact O-CG 3.43Å; E767-K771 PolarHBondContact O-N 2.83Å
772	P	40.7	Very low	48.3	Very low	118 Å²	118	116 Å²	116	77%	0.766	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-67.2	137.3	175.7	28.7	-33.8	0	0	0	109.9
773	T	37	Very low	46.1	Very low	108 Å²	108	118 Å²	118	66%	0.663	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59.4	132.7	171	-39.7	0	0	0	0	109.2	Q775	T773-Q775 PolarHBondContact O-N 3.31Å
774	P	36	Very low	44.1	Very low	102 Å²	102	122.1 Å²	122.1	66%	0.662	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-56.1	124.4	167	-21.5	33	0	0	0	109
775	Q	29	Very low	42.3	Very low	183 Å²	183	126.4 Å²	126.4	86%	0.855	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-82.9	130.2	170.3	-69.8	-174.9	-26.9	0	0	108.3	T773 P777	T773-Q775 PolarHBondContact O-N 3.31Å; Q775-P777 VanDerWaalsContact O-CD 3.28Å; Q775-P777 WeakPolarHBondContact O-CD 3.17Å
776	D	28.1	Very low	40.4	Very low	147 Å²	147	130 Å²	130	79%	0.786	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.2	117.3	176.1	-81.4	-58	0	0	0	110.9	S778	D776-S778 PolarHBondContact O-N 3.38Å
777	P	28.6	Very low	38.6	Very low	133 Å²	133	132.4 Å²	132.4	86%	0.864	69%	0.69	S	S	*	*			trans	-84.1	55	179.9	35.5	-35	0	0	0	111.2	Q775	Q775-P777 VanDerWaalsContact O-CD 3.28Å; Q775-P777 WeakPolarHBondContact O-CD 3.17Å
778	S	24.3	Very low	36.8	Very low	82 Å²	82	135.9 Å²	135.9	57%	0.573	71%	0.711	S	S	*	*			trans	-151.8	139	166.8	63.6	0	0	0	0	112.6	D776	D776-S778 PolarHBondContact O-N 3.38Å
779	Y	26.8	Very low	35.2	Very low	216 Å²	216	140.2 Å²	140.2	85%	0.847	74%	0.738	S	S	*	*			trans	102.9	53.2	-179.3	-63.9	-68	0	0	0	119.1
780	Q	32.2	Very low	33.5	Very low	186 Å²	186	143.4 Å²	143.4	87%	0.869	76%	0.755	S	S	*	*				-158.4	115.6	127.7	-117.5	146.6	88.2	0	0	113.9
781	N	30	Very low	32.2	Very low	147 Å²	147	146 Å²	146	79%	0.786	76%	0.764	S	S	*	*			trans	14.5	127.3	153.1	-51.8	3.8	0	0	0	121.1
782	E	26	Very low	31	Very low	179 Å²	179	148.7 Å²	148.7	84%	0.836	78%	0.776	S	S	*	*			trans	-0.8	116.5	130.7	-60.7	168	-177.7	0	0	116.9
783	D	30.3	Very low	30.6	Very low	157 Å²	157	151.1 Å²	151.1	84%	0.84	78%	0.781	S	S	*	*				170.5	105.8	115.4	-91.8	-23.6	0	0	0	112.1
784	E	35.3	Very low	30.1	Very low	200 Å²	200	153.9 Å²	153.9	94%	0.935	79%	0.786	S	S	*	*				178	164.1	129.3	-99.4	-178.2	178.7	0	0	110.9
785	L	31.7	Very low	29.6	Very low	158 Å²	158	156 Å²	156	83%	0.827	79%	0.791	S	S	*	*			trans	-132.3	157.9	-155.9	-94.1	160.9	0	0	0	114.7
786	N	30.6	Very low	29.7	Very low	119 Å²	119	151.8 Å²	151.8	64%	0.636	78%	0.783	S	S	*	*			trans	85.1	127.7	153.2	-79.6	43.9	0	0	0	122.8
787	D	31.6	Very low	29.9	Very low	117 Å²	117	151 Å²	151	63%	0.626	78%	0.782	S	S	*	*			trans	57.1	116.3	134.4	-40.7	-21.2	0	0	0	120.1
788	N	32.3	Very low	30	Very low	156 Å²	156	150.4 Å²	150.4	83%	0.834	78%	0.779	S	S	*	*				-164.9	153.7	60.7	-92.4	-74.4	0	0	0	116.2
789	V	29.8	Very low	30.1	Very low	120 Å²	120	155 Å²	155	73%	0.727	79%	0.791	S	S	*	*			trans	-62.1	154.2	159.5	170.1	0	0	0	0	109.2
790	D	29.2	Very low	30.2	Very low	140 Å²	140	152.8 Å²	152.8	75%	0.749	79%	0.794	S	S	*	*			cis	-162.4	-175.5	38.9	-143.4	-23.8	0	0	0	114.8
791	E	33.3	Very low	29.9	Very low	181 Å²	181	152.7 Å²	152.7	85%	0.846	79%	0.794	S	S	*	*			trans	97.3	148.8	146.9	-122.2	172.5	-163.5	0	0	121.3
792	F	28.1	Very low	29.8	Very low	174 Å²	174	152.9 Å²	152.9	76%	0.763	79%	0.794	S	S	*	*			trans	-106.4	169	-161.5	-85.7	-120.7	0	0	0	112.9
793	I	33.3	Very low	29.9	Very low	169 Å²	169	151.3 Å²	151.3	87%	0.867	80%	0.798	S	S	*	*				-175.3	136	120.2	-97	160.8	0	0	0	111.1
794	E	26.9	Very low	29.6	Very low	165 Å²	165	151.4 Å²	151.4	77%	0.771	80%	0.795	S	S	*	*			trans	-74.7	165.7	169	-61.8	157.3	128.6	0	0	108.9
795	D	25.5	Very low	29.1	Very low	146 Å²	146	150.4 Å²	150.4	78%	0.781	79%	0.787	S	S	*	*			cis	-171.9	151.2	35.9	-152.9	-7.8	0	0	0	104.5
796	S	29.9	Very low	28.8	Very low	96 Å²	96	149.2 Å²	149.2	67%	0.671	79%	0.787	S	S	*	*				160.7	163.5	74.9	46	0	0	0	0	109.6
797	V	33.4	Very low	28.8	Very low	129 Å²	129	151.4 Å²	151.4	78%	0.782	80%	0.798	S	S	*	*			trans	-117.6	148.7	171.9	176.8	0	0	0	0	109.3
798	P	30.1	Very low	28.4	Very low	121 Å²	121	153.7 Å²	153.7	79%	0.786	81%	0.805	S	S	*	*			trans	-131.4	146	140	36	-26.4	0	0	0	113.5
799	E	26	Very low	28.1	Very low	179 Å²	179	152.4 Å²	152.4	84%	0.836	80%	0.798	S	S	*	*			trans	-77.8	160	174.4	-59.2	166.8	128.5	0	0	111.8
800	N	28.5	Very low	27.9	Very low	169 Å²	169	153.9 Å²	153.9	90%	0.904	80%	0.801	S	S	*	*			trans	-161.5	130.2	145	-97.8	-49.8	0	0	0	109.3
801	E	27.3	Very low	27.9	Very low	185 Å²	185	156.8 Å²	156.8	86%	0.864	81%	0.808	S	S	*	*			trans	-87.8	-174.1	170.8	-70.9	-166.4	109.2	0	0	111.7
802	D	26.9	Very low	27.5	Very low	150 Å²	150	157.4 Å²	157.4	80%	0.802	81%	0.807	S	S	*	*			trans	61.4	95.3	170.1	-80.5	-25.2	0	0	0	118.7
803	T	28.7	Very low	27.5	Very low	147 Å²	147	156.5 Å²	156.5	90%	0.902	81%	0.809	S	S	*	*				-155.6	116.3	103	3.3	0	0	0	0	112.5
804	M	24.3	Very low	27	Very low	159 Å²	159	155 Å²	155	78%	0.783	80%	0.804	S	S	*	*			trans	-80.1	149.5	170	-159	-153	-72.3	0	0	110.8
805	K	25	Very low	26.9	Very low	178 Å²	178	152.9 Å²	152.9	77%	0.774	80%	0.802	S	S	*	*			trans	77.2	109	175.6	-49.7	168.7	-178	173.3	0	115.5
806	T	25	Very low	26.9	Very low	133 Å²	133	151.4 Å²	151.4	82%	0.816	80%	0.798	S	S	*	*				162.7	92.5	105.5	-61.9	0	0	0	0	110.4
807	L	29.8	Very low	26.7	Very low	165 Å²	165	152.7 Å²	152.7	86%	0.864	80%	0.802	S	S	*	*			trans	-157.1	61.4	152.5	-158	68.3	0	0	0	112.6
808	E	23.3	Very low	26.4	Very low	166 Å²	166	152 Å²	152	78%	0.776	80%	0.798	S	S	*	*			trans	-69.5	162.5	146.6	-70.9	-173.2	136.7	0	0	109.6
809	N	25.5	Very low	26.2	Very low	128 Å²	128	155.2 Å²	155.2	68%	0.684	80%	0.803	S	S	*	*	S	Bend	trans	81.8	124.7	172.1	-56.5	-67.5	0	0	0	118.6
810	N	25.3	Very low	26.1	Very low	151 Å²	151	152.4 Å²	152.4	81%	0.807	79%	0.793	S	S	*	*			trans	68.8	65.9	144.5	-61	-32.4	0	0	0	119.5
811	K	29.7	Very low	26.1	Very low	202 Å²	202	152.6 Å²	152.6	88%	0.878	79%	0.786	S	S	*	*			trans	-114.6	101.9	136.3	-83.1	-176	177.2	173.5	0	110.7	L813	K811-L813 PolarHBondContact O-N 3.5Å; K811-L813 VanDerWaalsContact O-N 3.11Å
812	K	25	Very low	26	Very low	194 Å²	194	149.6 Å²	149.6	84%	0.843	79%	0.785	S	S	*	*			trans	-58.9	111.5	162.5	-77	-178.8	174.5	178.7	0	108	N814	K812-N814 PolarHBondContact O-N 3.22Å; K812-N814 VanDerWaalsContact O-N 3.1Å
813	L	27.4	Very low	26.1	Very low	154 Å²	154	150.7 Å²	150.7	81%	0.806	79%	0.79	S	S	*	*			trans	-75.2	100.2	173.2	-150.2	78.5	0	0	0	108.2	K811 V815	K811-L813 PolarHBondContact O-N 3.5Å; K811-L813 VanDerWaalsContact O-N 3.11Å; L813-V815 PolarHBondContact O-N 3.14Å
814	N	23.2	Very low	26.2	Very low	139 Å²	139	153.1 Å²	153.1	74%	0.743	79%	0.789	S	S	*	*			trans	-67	97	171.5	-82.4	-11.8	0	0	0	108.4	K812 T816	K812-N814 PolarHBondContact O-N 3.22Å; K812-N814 VanDerWaalsContact O-N 3.1Å; N814-T816 PolarHBondContact O-N 3.47Å
815	V	26.3	Very low	26.3	Very low	120 Å²	120	153.3 Å²	153.3	73%	0.727	79%	0.792	S	S	*	*			trans	-72.4	78.4	169.6	-176.3	0	0	0	0	108.2	L813 T817	L813-V815 PolarHBondContact O-N 3.14Å; V815-T817 PolarHBondContact O-N 3.18Å; V815-T817 VanDerWaalsContact O-N 3.11Å
816	T	25	Very low	26.5	Very low	115 Å²	115	153.5 Å²	153.5	71%	0.706	80%	0.796	S	S	*	*			trans	-64.8	107.3	163.9	29.8	0	0	0	0	108	N814 T818	N814-T816 PolarHBondContact O-N 3.47Å; T816-T818 VanDerWaalsContact C-N 3.33Å; T816-T818 PolarHBondContact O-N 2.83Å
817	T	25	Very low	26.9	Very low	122 Å²	122	154.1 Å²	154.1	75%	0.748	80%	0.8	S	S	*	*			trans	-63.9	89.9	173.6	45.3	0	0	0	0	110.2	V815 E819	V815-T817 PolarHBondContact O-N 3.18Å; V815-T817 VanDerWaalsContact O-N 3.11Å; T817-E819 PolarHBondContact O-N 2.88Å; T817-E819 VanDerWaalsContact O-N 3.07Å
818	T	28.2	Very low	27.2	Very low	116 Å²	116	149.2 Å²	149.2	71%	0.712	78%	0.779	S	S	*	*			trans	-72.9	93.5	168.6	27.9	0	0	0	0	109.4	T816 N820	T816-T818 VanDerWaalsContact C-N 3.33Å; T816-T818 PolarHBondContact O-N 2.83Å; T818-N820 PolarHBondContact O-N 2.89Å
819	E	24	Very low	28.2	Very low	188 Å²	188	143.8 Å²	143.8	88%	0.879	76%	0.76	S	S	*	*			trans	-56.2	100.7	167.3	-64.2	-174.9	133.4	0	0	109.7	T817	T817-E819 PolarHBondContact O-N 2.88Å; T817-E819 VanDerWaalsContact O-N 3.07Å
820	N	25.4	Very low	29.4	Very low	120 Å²	120	142.2 Å²	142.2	64%	0.642	76%	0.757	S	S	*	*			trans	-144.7	109.9	176.3	-107.7	-71.3	0	0	0	112.4	T818	T818-N820 PolarHBondContact O-N 2.89Å
821	K	27.7	Very low	30.6	Very low	173 Å²	173	139.9 Å²	139.9	75%	0.752	75%	0.748	S	S	*	*			trans	63.2	83.2	156	-59.9	173.9	-173.8	173.7	0	115.9	L823	K821-L823 PolarHBondContact O-N 3.13Å
822	S	25.2	Very low	31.9	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	73%	0.732	S	S	*	*			trans	-6.7	92.7	138.1	57.1	0	0	0	0	115.7
823	L	30.2	Very low	33.4	Very low	174 Å²	174	128.4 Å²	128.4	91%	0.911	70%	0.704	S	S	*	*			trans	-75.3	139.6	157.5	-134.9	74.2	0	0	0	108.1	K821	K821-L823 PolarHBondContact O-N 3.13Å
824	K	28.8	Very low	35	Very low	198 Å²	198	126.1 Å²	126.1	86%	0.861	69%	0.692	S	S	*	*			trans	-65.1	151.4	-164.4	-71.5	176.7	177.3	173.4	0	113.7	Q826	K824-Q826 PolarHBondContact O-N 3.13Å
825	D	27	Very low	36.7	Very low	162 Å²	162	124.3 Å²	124.3	87%	0.866	68%	0.679	S	S	*	*	S	Bend	trans	-54.9	96.9	171.9	-57.4	-91.3	0	0	0	113.2
826	Q	29.5	Very low	38.1	Very low	183 Å²	183	121.6 Å²	121.6	86%	0.855	66%	0.661	S	S	*	*			trans	-160.1	97.2	151.3	-117.8	156.9	99.5	0	0	109.4	K824 S828	K824-Q826 PolarHBondContact O-N 3.13Å; Q826-S828 VanDerWaalsContact C-N 3.33Å; Q826-S828 PolarHBondContact O-N 3.07Å
827	T	33.8	Very low	39.8	Very low	146 Å²	146	117.7 Å²	117.7	90%	0.896	64%	0.635	S	S	*	*			trans	-66.8	95.7	164.3	42.3	0	0	0	0	108.3	S829	T827-S829 PolarHBondContact O-N 3.04Å
828	S	36.3	Very low	41.6	Very low	61 Å²	61	117 Å²	117	43%	0.427	62%	0.623	S	S	.	*			trans	-52.7	137.8	169.3	40.4	0	0	0	0	109.1	Q826	Q826-S828 VanDerWaalsContact C-N 3.33Å; Q826-S828 PolarHBondContact O-N 3.07Å
829	S	43.1	Very low	43.3	Very low	53 Å²	53	114 Å²	114	37%	0.371	60%	0.602	S	S	.	*			trans	-63.1	146.4	-178.1	68.1	0	0	0	0	109.6	T827 T831 I832 I833	T827-S829 PolarHBondContact O-N 3.04Å; S829-T831 PolarHBondContact O-N 2.91Å; S829-I832 WeakPolarHBondContact O-CB 3.1Å; S829-I832 PolarHBondContact O-N 3.29Å; S829-I832 WeakPolarHBondContact OG-CG1 3.46Å; S829-I833 PolarHBondContact O-N 2.85Å
830	P	51.3	Low	45.2	Very low	94 Å²	94	107.9 Å²	107.9	61%	0.61	57%	0.571	S	S	*	*	H	α-helix	trans	-59	-23.8	-179.3	22	-33.1	0	0	0	112.5	I833 N834	P830-I833 PolarHBondContact O-N 3.2Å; P830-N834 WeakPolarHBondContact O-CB 3.37Å; P830-N834 PolarHBondContact O-N 3.48Å; P830-N834 PolarHBondContact O-OD1 2.88Å
831	T	51	Low	46.9	Very low	102 Å²	102	103.7 Å²	103.7	63%	0.626	55%	0.547	S	S	*	.	H	α-helix	trans	-61.4	-42.6	170.2	-37.9	0	0	0	0	112.6	S829 Q835	S829-T831 PolarHBondContact O-N 2.91Å; T831-Q835 WeakPolarHBondContact O-CB 3.4Å; T831-Q835 PolarHBondContact O-N 2.86Å
832	I	56.3	Low	48.6	Very low	105 Å²	105	97.8 Å²	97.8	54%	0.538	52%	0.522	S	S	.	.	H	α-helix	trans	-69	-41.4	178.1	-65	166.7	0	0	0	110.2	S829 Q835 D836	S829-I832 WeakPolarHBondContact O-CB 3.1Å; S829-I832 PolarHBondContact O-N 3.29Å; S829-I832 WeakPolarHBondContact OG-CG1 3.46Å; I832-Q835 PolarHBondContact O-N 3.39Å; I832-D836 PolarHBondContact O-N 3.21Å
833	I	57	Low	50.5	Low	51 Å²	51	94.8 Å²	94.8	26%	0.262	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-42.7	178	-59.7	172.8	0	0	0	110.6	S829 P830 Q835 D836 L837	S829-I833 PolarHBondContact O-N 2.85Å; P830-I833 PolarHBondContact O-N 3.2Å; I833-Q835 VanDerWaalsContact C-N 3.35Å; I833-Q835 PolarHBondContact O-N 3.37Å; I833-D836 WeakPolarHBondContact O-CA 3.41Å; I833-D836 PolarHBondContact O-N 3.21Å; I833-L837 HydrophobicContact CG2-CD1 4Å; I833-L837 VanDerWaalsContact O-CG 3.29Å; I833-L837 WeakPolarHBondContact O-CG 3.36Å; I833-L837 PolarHBondContact O-N 3.03Å
834	N	60.1	Low	52.1	Low	105 Å²	105	88.5 Å²	88.5	56%	0.561	47%	0.466	S	S	*	.	H	α-helix	trans	-67.1	-34	176.7	-70.7	-3.3	0	0	0	112.6	P830 F838	P830-N834 WeakPolarHBondContact O-CB 3.37Å; P830-N834 PolarHBondContact O-N 3.48Å; P830-N834 PolarHBondContact O-OD1 2.88Å; N834-F838 VanDerWaalsContact O-CB 3.26Å; N834-F838 WeakPolarHBondContact O-CB 3.34Å; N834-F838 PolarHBondContact O-N 3.26Å
835	Q	59.4	Low	53.6	Low	101 Å²	101	83 Å²	83	47%	0.472	45%	0.445	S	S	.	.	H	α-helix	trans	-67.8	-46.2	172.1	-159.9	76.6	51.9	0	0	110.9	T831 I832 I833 L837 F838 N839	T831-Q835 WeakPolarHBondContact O-CB 3.4Å; T831-Q835 PolarHBondContact O-N 2.86Å; I832-Q835 PolarHBondContact O-N 3.39Å; I833-Q835 VanDerWaalsContact C-N 3.35Å; I833-Q835 PolarHBondContact O-N 3.37Å; Q835-L837 PolarHBondContact O-N 3.33Å; Q835-F838 PolarHBondContact O-N 2.79Å; Q835-N839 PolarHBondContact NE2-OD1 3.04Å; Q835-N839 VanDerWaalsContact NE2-OD1 3.13Å; Q835-N839 WeakPolarHBondContact O-CB 3.48Å; Q835-N839 PolarHBondContact O-N 3.09Å; Q835-N839 PolarHBondContact O-OD1 2.96Å; Q835-N839 VanDerWaalsContact O-OD1 3.05Å
836	D	56.2	Low	55.1	Low	63 Å²	63	81.3 Å²	81.3	34%	0.337	43%	0.432	S	S	.	.	H	α-helix	trans	-39.1	-60	165.3	157	136	0	0	0	113.2	I832 I833 R840	I832-D836 PolarHBondContact O-N 3.21Å; I833-D836 WeakPolarHBondContact O-CA 3.41Å; I833-D836 PolarHBondContact O-N 3.21Å; D836-R840 WeakPolarHBondContact O-CB 3.5Å; D836-R840 VanDerWaalsContact O-CG 3.25Å; D836-R840 WeakPolarHBondContact O-CG 3.41Å; D836-R840 PolarHBondContact O-N 3.14Å; D836-R840 VanDerWaalsContact O-N 3.12Å; D836-R840 IonicContact OD1-CZ 3.84Å; D836-R840 VanDerWaalsContact OD1-CZ 3.25Å; D836-R840 IonicContact OD1-NE 2.68Å; D836-R840 PolarHBondContact OD1-NE 3.35Å; D836-R840 IonicContact OD1-NH2 3.2Å; D836-R840 PolarHBondContact OD1-NH2 2.72Å; D836-R840 IonicContact OD2-CZ 2.72Å; D836-R840 IonicContact OD2-NE 2.7Å; D836-R840 IonicContact OD2-NH2 2.94Å; D836-R840 PolarHBondContact OD2-NH2 2.98Å
837	L	59.8	Low	56.7	Low	33 Å²	33	77.2 Å²	77.2	17%	0.173	42%	0.416	C	S	.	.	H	α-helix	trans	-67.3	-38.8	-179.4	-66.6	162.9	0	0	0	112.9	L765 L768 I833 Q835 F841	L765-L837 HydrophobicContact CD2-CD1 3.5Å; L765-L837 VanDerWaalsContact CD2-CD1 3.5Å; L765-L837 HydrophobicContact CD2-CD2 3.99Å; L765-L837 HydrophobicContact CD2-CG 4.36Å; L768-L837 HydrophobicContact CB-CD2 4Å; L768-L837 HydrophobicContact CD1-CD2 3.66Å; L768-L837 HydrophobicContact CG-CD2 4.43Å; I833-L837 HydrophobicContact CG2-CD1 4Å; I833-L837 VanDerWaalsContact O-CG 3.29Å; I833-L837 WeakPolarHBondContact O-CG 3.36Å; I833-L837 PolarHBondContact O-N 3.03Å; Q835-L837 PolarHBondContact O-N 3.33Å; L837-F841 VanDerWaalsContact O-CB 3.28Å; L837-F841 WeakPolarHBondContact O-CB 3.42Å; L837-F841 PolarHBondContact O-N 2.8Å
838	F	64.1	Low	57.5	Low	109 Å²	109	74.8 Å²	74.8	48%	0.478	41%	0.405	S	S	.	.	H	α-helix	trans	-68.1	-49.5	-179.4	-170.1	-90.3	0	0	0	111.4	N834 Q835 R840 F841 E842	N834-F838 VanDerWaalsContact O-CB 3.26Å; N834-F838 WeakPolarHBondContact O-CB 3.34Å; N834-F838 PolarHBondContact O-N 3.26Å; Q835-F838 PolarHBondContact O-N 2.79Å; F838-R840 VanDerWaalsContact C-N 3.34Å; F838-R840 PolarHBondContact O-N 3Å; F838-F841 WeakPolarHBondContact O-CB 3.13Å; F838-F841 PolarHBondContact O-N 2.97Å; F838-E842 HydrophobicContact CD1-CG 4.29Å; F838-E842 VanDerWaalsContact CE1-CD 3.42Å; F838-E842 HydrophobicContact CE1-CG 3.92Å; F838-E842 WeakPolarHBondContact CE1-OE1 3.28Å; F838-E842 HydrophobicContact CZ-CG 4.46Å; F838-E842 PolarHBondContact O-N 2.97Å
839	N	63.2	Low	58.5	Low	53 Å²	53	75.5 Å²	75.5	28%	0.283	40%	0.401	S	S	.	.	H	α-helix	trans	-62.6	-40.6	178.6	-71	46.5	0	0	0	110.9	Q835 F841 E842 T843	Q835-N839 PolarHBondContact NE2-OD1 3.04Å; Q835-N839 VanDerWaalsContact NE2-OD1 3.13Å; Q835-N839 WeakPolarHBondContact O-CB 3.48Å; Q835-N839 PolarHBondContact O-N 3.09Å; Q835-N839 PolarHBondContact O-OD1 2.96Å; Q835-N839 VanDerWaalsContact O-OD1 3.05Å; N839-F841 VanDerWaalsContact C-N 3.33Å; N839-F841 PolarHBondContact O-N 2.88Å; N839-E842 PolarHBondContact O-N 3.14Å; N839-T843 PolarHBondContact O-N 2.94Å; N839-T843 PolarHBondContact O-OG1 2.9Å
840	R	63	Low	59.2	Low	58 Å²	58	78.9 Å²	78.9	22%	0.219	41%	0.414	C	S	.	.	H	α-helix	trans	-63.5	-35.1	172	-72.6	177.1	-162.5	-133.2	-4	113.1	L768 L769 D836 F838 T843 I844	L768-R840 PolarHBondContact O-NH1 3.36Å; L769-R840 PolarHBondContact O-NH1 2.74Å; L769-R840 VanDerWaalsContact O-NH1 3.09Å; D836-R840 WeakPolarHBondContact O-CB 3.5Å; D836-R840 VanDerWaalsContact O-CG 3.25Å; D836-R840 WeakPolarHBondContact O-CG 3.41Å; D836-R840 PolarHBondContact O-N 3.14Å; D836-R840 VanDerWaalsContact O-N 3.12Å; D836-R840 IonicContact OD1-CZ 3.84Å; D836-R840 VanDerWaalsContact OD1-CZ 3.25Å; D836-R840 IonicContact OD1-NE 2.68Å; D836-R840 PolarHBondContact OD1-NE 3.35Å; D836-R840 IonicContact OD1-NH2 3.2Å; D836-R840 PolarHBondContact OD1-NH2 2.72Å; D836-R840 IonicContact OD2-CZ 2.72Å; D836-R840 IonicContact OD2-NE 2.7Å; D836-R840 IonicContact OD2-NH2 2.94Å; D836-R840 PolarHBondContact OD2-NH2 2.98Å; F838-R840 VanDerWaalsContact C-N 3.34Å; F838-R840 PolarHBondContact O-N 3Å; R840-T843 WeakPolarHBondContact O-CB 3.25Å; R840-T843 PolarHBondContact O-N 2.74Å; R840-I844 WeakPolarHBondContact O-CG1 3.36Å; R840-I844 PolarHBondContact O-N 2.82Å; R840-I844 VanDerWaalsContact O-N 3.09Å
841	F	63	Low	59.6	Low	32 Å²	32	79.1 Å²	79.1	14%	0.14	42%	0.418	C	S	.	.	H	α-helix	trans	-70.6	-38.1	176.9	-175.6	-112.9	0	0	0	112	L837 F838 N839 T843 I844 I845 F856 I857	L837-F841 VanDerWaalsContact O-CB 3.28Å; L837-F841 WeakPolarHBondContact O-CB 3.42Å; L837-F841 PolarHBondContact O-N 2.8Å; F838-F841 WeakPolarHBondContact O-CB 3.13Å; F838-F841 PolarHBondContact O-N 2.97Å; N839-F841 VanDerWaalsContact C-N 3.33Å; N839-F841 PolarHBondContact O-N 2.88Å; F841-T843 VanDerWaalsContact C-N 3.32Å; F841-T843 PolarHBondContact O-N 3.28Å; F841-I844 PolarHBondContact O-N 2.74Å; F841-I845 HydrophobicContact CD1-CD1 3.98Å; F841-I845 HydrophobicContact CE1-CD1 3.49Å; F841-I845 VanDerWaalsContact CE1-CD1 3.49Å; F841-I845 HydrophobicContact CE1-CG1 4.36Å; F841-I845 HydrophobicContact CZ-CD1 3.8Å; F841-I845 HydrophobicContact CZ-CG1 4.26Å; F841-I845 PolarHBondContact O-N 2.91Å; F841-I845 VanDerWaalsContact O-N 3.12Å; F841-F856 AromaticContact CD2-CD1 3.46Å; F841-F856 HydrophobicContact CD2-CD1 3.46Å; F841-F856 VanDerWaalsContact CD2-CD1 3.46Å; F841-F856 AromaticContact CD2-CE1 3.42Å; F841-F856 HydrophobicContact CD2-CE1 3.42Å; F841-F856 VanDerWaalsContact CD2-CE1 3.42Å; F841-F856 HydrophobicContact CD2-CG 4.41Å; F841-F856 HydrophobicContact CD2-CZ 4.36Å; F841-F856 AromaticContact CE2-CD1 3.31Å; F841-F856 HydrophobicContact CE2-CD1 3.31Å; F841-F856 AromaticContact CE2-CE1 3.76Å; F841-F856 HydrophobicContact CE2-CE1 3.76Å; F841-F856 HydrophobicContact CE2-CG 4.21Å; F841-F856 HydrophobicContact CG-CD1 4.48Å; F841-F856 HydrophobicContact CG-CE1 4.1Å; F841-F856 HydrophobicContact CZ-CD1 4.22Å; F841-I857 HydrophobicContact CE1-CD1 4.1Å; F841-I857 HydrophobicContact CE1-CG1 4.35Å; F841-I857 HydrophobicContact CE2-CG1 4.36Å; F841-I857 HydrophobicContact CZ-CD1 3.62Å; F841-I857 HydrophobicContact CZ-CG1 3.68Å
842	E	62.9	Low	60.2	Low	49 Å²	49	80.2 Å²	80.2	23%	0.229	41%	0.41	C	S	.	.	H	α-helix	trans	-59.5	-42.2	168.1	-70.9	-172.3	139	0	0	111	F838 N839 I844 I845 E846	F838-E842 HydrophobicContact CD1-CG 4.29Å; F838-E842 VanDerWaalsContact CE1-CD 3.42Å; F838-E842 HydrophobicContact CE1-CG 3.92Å; F838-E842 WeakPolarHBondContact CE1-OE1 3.28Å; F838-E842 HydrophobicContact CZ-CG 4.46Å; F838-E842 PolarHBondContact O-N 2.97Å; N839-E842 PolarHBondContact O-N 3.14Å; E842-I844 VanDerWaalsContact C-N 3.31Å; E842-I844 PolarHBondContact O-N 3.36Å; E842-I845 PolarHBondContact O-N 2.86Å; E842-I845 VanDerWaalsContact O-N 3.1Å; E842-E846 WeakPolarHBondContact O-CG 3.48Å; E842-E846 PolarHBondContact O-N 2.97Å
843	T	64.5	Low	60.3	Low	59 Å²	59	75.7 Å²	75.7	36%	0.362	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-37.1	175.2	-34.4	0	0	0	0	113.1	N839 R840 F841 I845 E846 N847	N839-T843 PolarHBondContact O-N 2.94Å; N839-T843 PolarHBondContact O-OG1 2.9Å; R840-T843 WeakPolarHBondContact O-CB 3.25Å; R840-T843 PolarHBondContact O-N 2.74Å; F841-T843 VanDerWaalsContact C-N 3.32Å; F841-T843 PolarHBondContact O-N 3.28Å; T843-I845 VanDerWaalsContact C-N 3.34Å; T843-E846 PolarHBondContact O-N 2.54Å; T843-N847 WeakPolarHBondContact O-CB 3.42Å; T843-N847 VanDerWaalsContact O-CG 3.24Å; T843-N847 PolarHBondContact O-N 2.75Å; T843-N847 PolarHBondContact O-ND2 3.03Å
844	I	63.7	Low	60.6	Low	41 Å²	41	76.5 Å²	76.5	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-68.4	-34.3	176.9	-66.3	164	0	0	0	111.1	R840 F841 E842 E849	R840-I844 WeakPolarHBondContact O-CG1 3.36Å; R840-I844 PolarHBondContact O-N 2.82Å; R840-I844 VanDerWaalsContact O-N 3.09Å; F841-I844 PolarHBondContact O-N 2.74Å; E842-I844 VanDerWaalsContact C-N 3.31Å; E842-I844 PolarHBondContact O-N 3.36Å; I844-E849 HydrophobicContact CG2-CB 4.41Å
845	I	60.1	Low	61	Low	83 Å²	83	76.3 Å²	76.3	43%	0.426	39%	0.394	S	S	.	.	H	α-helix	trans	-70.9	-45	173.8	-69.2	170.6	0	0	0	111	F841 E842 T843 N847 S848	F841-I845 HydrophobicContact CD1-CD1 3.98Å; F841-I845 HydrophobicContact CE1-CD1 3.49Å; F841-I845 VanDerWaalsContact CE1-CD1 3.49Å; F841-I845 HydrophobicContact CE1-CG1 4.36Å; F841-I845 HydrophobicContact CZ-CD1 3.8Å; F841-I845 HydrophobicContact CZ-CG1 4.26Å; F841-I845 PolarHBondContact O-N 2.91Å; F841-I845 VanDerWaalsContact O-N 3.12Å; E842-I845 PolarHBondContact O-N 2.86Å; E842-I845 VanDerWaalsContact O-N 3.1Å; T843-I845 VanDerWaalsContact C-N 3.34Å; I845-N847 VanDerWaalsContact C-N 3.29Å; I845-N847 PolarHBondContact O-N 3.3Å; I845-S848 WeakPolarHBondContact O-CA 3.19Å; I845-S848 PolarHBondContact O-N 3.01Å
846	E	58.5	Low	61.4	Low	127 Å²	127	73.1 Å²	73.1	59%	0.593	38%	0.379	S	S	*	.	H	α-helix	trans	-64.9	-32.4	179.5	-71.7	-175.8	153	0	0	112.2	N253 E842 T843 S848	N253-E846 PolarHBondContact ND2-OE1 2.85Å; E842-E846 WeakPolarHBondContact O-CG 3.48Å; E842-E846 PolarHBondContact O-N 2.97Å; T843-E846 PolarHBondContact O-N 2.54Å; E846-S848 PolarHBondContact O-N 2.8Å; E846-S848 VanDerWaalsContact O-N 3.12Å
847	N	62.7	Low	61.9	Low	97 Å²	97	73 Å²	73	52%	0.519	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	4.5	170.2	-73.4	-27.4	0	0	0	114.4	T843 I845 E849	T843-N847 WeakPolarHBondContact O-CB 3.42Å; T843-N847 VanDerWaalsContact O-CG 3.24Å; T843-N847 PolarHBondContact O-N 2.75Å; T843-N847 PolarHBondContact O-ND2 3.03Å; I845-N847 VanDerWaalsContact C-N 3.29Å; I845-N847 PolarHBondContact O-N 3.3Å; N847-E849 VanDerWaalsContact C-N 3.26Å; N847-E849 PolarHBondContact O-N 3.2Å
848	S	52.5	Low	62.4	Low	95 Å²	95	75 Å²	75	66%	0.664	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	14.4	176.3	70.3	0	0	0	0	116.9	I845 E846 I850	I845-S848 WeakPolarHBondContact O-CA 3.19Å; I845-S848 PolarHBondContact O-N 3.01Å; E846-S848 PolarHBondContact O-N 2.8Å; E846-S848 VanDerWaalsContact O-N 3.12Å; S848-I850 PolarHBondContact O-N 3.12Å
849	E	57	Low	62.9	Low	75 Å²	75	73.1 Å²	73.1	35%	0.35	38%	0.378	S	S	.	.			trans	-75.2	61.3	170.7	-63.5	-165.1	138.9	0	0	111.8	I844 N847 S851 R852 S853	I844-E849 HydrophobicContact CG2-CB 4.41Å; N847-E849 VanDerWaalsContact C-N 3.26Å; N847-E849 PolarHBondContact O-N 3.2Å; E849-S851 VanDerWaalsContact C-N 3.32Å; E849-S851 PolarHBondContact O-N 2.94Å; E849-R852 HydrophobicContact CB-CB 3.94Å; E849-R852 PolarHBondContact O-N 2.9Å; E849-R852 IonicContact OE1-CZ 2.82Å; E849-R852 IonicContact OE1-NH1 2.77Å; E849-R852 PolarHBondContact OE1-NH1 2.88Å; E849-R852 WeakPolarHBondContact OE2-CD 3.29Å; E849-R852 IonicContact OE2-CZ 3.9Å; E849-R852 IonicContact OE2-NE 2.65Å; E849-R852 IonicContact OE2-NH1 3.25Å; E849-R852 PolarHBondContact OE2-NH1 3.34Å; E849-S853 PolarHBondContact O-N 3.34Å; E849-S853 PolarHBondContact O-OG 2.94Å
850	I	57.3	Low	63.4	Low	125 Å²	125	74 Å²	74	64%	0.641	38%	0.382	S	S	*	.	H	α-helix	trans	-61.8	-37.6	-175.9	-61.6	174.8	0	0	0	111.8	S848 S853 S854	S848-I850 PolarHBondContact O-N 3.12Å; I850-S853 WeakPolarHBondContact CA-OG 3.32Å; I850-S853 PolarHBondContact O-OG 2.96Å; I850-S854 VanDerWaalsContact O-CB 3.25Å; I850-S854 WeakPolarHBondContact O-CB 3.46Å; I850-S854 PolarHBondContact O-N 3.28Å
851	S	59.8	Low	64	Low	98 Å²	98	72.4 Å²	72.4	69%	0.685	38%	0.376	S	S	*	.	H	α-helix	trans	-62.6	-44.9	175.2	48.6	0	0	0	0	112	E849 S854 E855	E849-S851 VanDerWaalsContact C-N 3.32Å; E849-S851 PolarHBondContact O-N 2.94Å; S851-S854 WeakPolarHBondContact O-CB 3.23Å; S851-S854 PolarHBondContact O-N 3.19Å; S851-E855 WeakPolarHBondContact O-CB 3.34Å; S851-E855 PolarHBondContact O-N 3.08Å
852	R	62.9	Low	64.8	Low	126 Å²	126	76 Å²	76	48%	0.475	39%	0.394	S	S	.	.	H	α-helix	trans	-73.4	-37.6	-177	-155.8	-175	-153.9	161.7	13.1	112.5	E849 E855 F856	E849-R852 HydrophobicContact CB-CB 3.94Å; E849-R852 PolarHBondContact O-N 2.9Å; E849-R852 IonicContact OE1-CZ 2.82Å; E849-R852 IonicContact OE1-NH1 2.77Å; E849-R852 PolarHBondContact OE1-NH1 2.88Å; E849-R852 WeakPolarHBondContact OE2-CD 3.29Å; E849-R852 IonicContact OE2-CZ 3.9Å; E849-R852 IonicContact OE2-NE 2.65Å; E849-R852 IonicContact OE2-NH1 3.25Å; E849-R852 PolarHBondContact OE2-NH1 3.34Å; R852-E855 PolarHBondContact O-N 2.86Å; R852-F856 WeakPolarHBondContact O-CB 3.42Å; R852-F856 PolarHBondContact O-N 2.86Å
853	S	59.9	Low	65.7	Low	9 Å²	9	74.5 Å²	74.5	6%	0.063	39%	0.387	C	S	.	.	H	α-helix	trans	-69.1	-34	173.1	47.4	0	0	0	0	112.3	E849 I850 I857	E849-S853 PolarHBondContact O-N 3.34Å; E849-S853 PolarHBondContact O-OG 2.94Å; I850-S853 WeakPolarHBondContact CA-OG 3.32Å; I850-S853 PolarHBondContact O-OG 2.96Å; S853-I857 WeakPolarHBondContact O-CG1 3.24Å; S853-I857 PolarHBondContact O-N 2.81Å
854	S	63	Low	66.7	Low	69 Å²	69	74.8 Å²	74.8	48%	0.483	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-50	168.7	-179.6	0	0	0	0	112.2	I850 S851 F856 I857 M858	I850-S854 VanDerWaalsContact O-CB 3.25Å; I850-S854 WeakPolarHBondContact O-CB 3.46Å; I850-S854 PolarHBondContact O-N 3.28Å; S851-S854 WeakPolarHBondContact O-CB 3.23Å; S851-S854 PolarHBondContact O-N 3.19Å; S854-F856 VanDerWaalsContact C-N 3.3Å; S854-F856 PolarHBondContact O-N 3.1Å; S854-I857 PolarHBondContact O-N 3.33Å; S854-M858 PolarHBondContact O-N 3.03Å
855	E	66.8	Low	67.8	Low	100 Å²	100	74.7 Å²	74.7	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-40.2	176.9	-165.3	-160.6	140.8	0	0	111.9	S851 R852 M858 K859	S851-E855 WeakPolarHBondContact O-CB 3.34Å; S851-E855 PolarHBondContact O-N 3.08Å; R852-E855 PolarHBondContact O-N 2.86Å; E855-M858 PolarHBondContact O-N 2.92Å; E855-K859 HydrophobicContact CG-CD 4.4Å; E855-K859 WeakPolarHBondContact O-CG 3.34Å; E855-K859 PolarHBondContact O-N 2.74Å; E855-K859 VanDerWaalsContact OE1-CE 3.25Å; E855-K859 WeakPolarHBondContact OE1-CE 3.29Å; E855-K859 IonicContact OE1-NZ 3.42Å; E855-K859 PolarHBondContact OE1-NZ 3.14Å
856	F	68	Low	69	Low	35 Å²	35	70.9 Å²	70.9	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-62.1	-47.3	174.5	177.5	-95.9	0	0	0	112.7	L768 F841 R852 S854 M858 K859 I860	L768-F856 HydrophobicContact CD1-CE2 3.75Å; L768-F856 HydrophobicContact CD1-CZ 4.05Å; L768-F856 HydrophobicContact CD2-CE2 3.88Å; L768-F856 HydrophobicContact CD2-CZ 4.4Å; L768-F856 HydrophobicContact CG-CE2 4.38Å; F841-F856 AromaticContact CD2-CD1 3.46Å; F841-F856 HydrophobicContact CD2-CD1 3.46Å; F841-F856 VanDerWaalsContact CD2-CD1 3.46Å; F841-F856 AromaticContact CD2-CE1 3.42Å; F841-F856 HydrophobicContact CD2-CE1 3.42Å; F841-F856 VanDerWaalsContact CD2-CE1 3.42Å; F841-F856 HydrophobicContact CD2-CG 4.41Å; F841-F856 HydrophobicContact CD2-CZ 4.36Å; F841-F856 AromaticContact CE2-CD1 3.31Å; F841-F856 HydrophobicContact CE2-CD1 3.31Å; F841-F856 AromaticContact CE2-CE1 3.76Å; F841-F856 HydrophobicContact CE2-CE1 3.76Å; F841-F856 HydrophobicContact CE2-CG 4.21Å; F841-F856 HydrophobicContact CG-CD1 4.48Å; F841-F856 HydrophobicContact CG-CE1 4.1Å; F841-F856 HydrophobicContact CZ-CD1 4.22Å; R852-F856 WeakPolarHBondContact O-CB 3.42Å; R852-F856 PolarHBondContact O-N 2.86Å; S854-F856 VanDerWaalsContact C-N 3.3Å; S854-F856 PolarHBondContact O-N 3.1Å; F856-M858 VanDerWaalsContact C-N 3.28Å; F856-M858 PolarHBondContact O-N 3.2Å; F856-K859 PolarHBondContact O-N 2.94Å; F856-I860 HydrophobicContact CD1-CD1 4.07Å; F856-I860 HydrophobicContact CE1-CD1 3.43Å; F856-I860 VanDerWaalsContact CE1-CD1 3.43Å; F856-I860 HydrophobicContact CE1-CG1 4.46Å; F856-I860 HydrophobicContact CE2-CD1 4.1Å; F856-I860 HydrophobicContact CZ-CD1 3.46Å; F856-I860 VanDerWaalsContact CZ-CD1 3.46Å; F856-I860 HydrophobicContact CZ-CG1 4.45Å; F856-I860 PolarHBondContact O-N 2.86Å
857	I	67.1	Low	70.4	Confident	59 Å²	59	64.8 Å²	64.8	30%	0.303	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-40.7	174.1	-76.7	174.8	0	0	0	110.7	Y621 F841 S853 S854 Y861	Y621-I857 VanDerWaalsContact OH-CG2 3.27Å; Y621-I857 WeakPolarHBondContact OH-CG2 3.18Å; F841-I857 HydrophobicContact CE1-CD1 4.1Å; F841-I857 HydrophobicContact CE1-CG1 4.35Å; F841-I857 HydrophobicContact CE2-CG1 4.36Å; F841-I857 HydrophobicContact CZ-CD1 3.62Å; F841-I857 HydrophobicContact CZ-CG1 3.68Å; S853-I857 WeakPolarHBondContact O-CG1 3.24Å; S853-I857 PolarHBondContact O-N 2.81Å; S854-I857 PolarHBondContact O-N 3.33Å; I857-Y861 VanDerWaalsContact O-CB 3.23Å; I857-Y861 WeakPolarHBondContact O-CB 3.46Å; I857-Y861 PolarHBondContact O-N 2.96Å
858	M	71.1	Confident	71.7	Confident	77 Å²	77	60.9 Å²	60.9	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-44.2	177.7	-75.1	-62.1	-64.7	0	0	112.2	K619 S854 E855 F856 Y861 E862	K619-M858 PolarHBondContact NZ-SD 2.99Å; S854-M858 PolarHBondContact O-N 3.03Å; E855-M858 PolarHBondContact O-N 2.92Å; F856-M858 VanDerWaalsContact C-N 3.28Å; F856-M858 PolarHBondContact O-N 3.2Å; M858-Y861 WeakPolarHBondContact O-CB 3.48Å; M858-Y861 PolarHBondContact O-N 3.36Å; M858-E862 WeakPolarHBondContact O-CG 3.47Å; M858-E862 PolarHBondContact O-N 3.26Å
859	K	74.2	Confident	73.3	Confident	69 Å²	69	56.4 Å²	56.4	30%	0.3	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-41.6	175.8	-77	170.4	164.9	176	0	112.9	Y764 E855 F856 E862 L863	Y764-K859 HydrophobicContact CE1-CD 4.37Å; Y764-K859 WeakPolarHBondContact OH-CD 3.21Å; Y764-K859 PolarHBondContact OH-NZ 3.2Å; E855-K859 HydrophobicContact CG-CD 4.4Å; E855-K859 WeakPolarHBondContact O-CG 3.34Å; E855-K859 PolarHBondContact O-N 2.74Å; E855-K859 VanDerWaalsContact OE1-CE 3.25Å; E855-K859 WeakPolarHBondContact OE1-CE 3.29Å; E855-K859 IonicContact OE1-NZ 3.42Å; E855-K859 PolarHBondContact OE1-NZ 3.14Å; F856-K859 PolarHBondContact O-N 2.94Å; K859-E862 PolarHBondContact O-N 3.41Å; K859-L863 WeakPolarHBondContact O-CB 3.39Å; K859-L863 VanDerWaalsContact O-CG 3.28Å; K859-L863 WeakPolarHBondContact O-CG 3.39Å; K859-L863 PolarHBondContact O-N 2.79Å
860	I	74.2	Confident	74.7	Confident	70 Å²	70	54.5 Å²	54.5	36%	0.359	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-45.1	172.2	-72.8	-176	0	0	0	110.7	F856 E862 L863 Y864	F856-I860 HydrophobicContact CD1-CD1 4.07Å; F856-I860 HydrophobicContact CE1-CD1 3.43Å; F856-I860 VanDerWaalsContact CE1-CD1 3.43Å; F856-I860 HydrophobicContact CE1-CG1 4.46Å; F856-I860 HydrophobicContact CE2-CD1 4.1Å; F856-I860 HydrophobicContact CZ-CD1 3.46Å; F856-I860 VanDerWaalsContact CZ-CD1 3.46Å; F856-I860 HydrophobicContact CZ-CG1 4.45Å; F856-I860 PolarHBondContact O-N 2.86Å; I860-E862 VanDerWaalsContact C-N 3.32Å; I860-E862 PolarHBondContact O-N 2.82Å; I860-L863 PolarHBondContact O-N 2.84Å; I860-Y864 HydrophobicContact CG2-CD2 4.02Å; I860-Y864 HydrophobicContact CG2-CE2 4.15Å; I860-Y864 VanDerWaalsContact O-CD2 3.29Å; I860-Y864 WeakPolarHBondContact O-CD2 3.24Å; I860-Y864 PolarHBondContact O-N 2.9Å; I860-Y864 VanDerWaalsContact O-N 3.11Å
861	Y	74.5	Confident	75.9	Confident	26 Å²	26	48.7 Å²	48.7	10%	0.102	24%	0.242	C	C	.	.	H	α-helix	trans	-57.7	-44.8	176.8	175.7	-82.8	0	0	0	111.3	K614 K619 I857 M858 Y864 H865 D1003 M1005	K614-Y861 PolarHBondContact NZ-OH 3.17Å; K619-Y861 HydrophobicContact CD-CD2 4.22Å; K619-Y861 HydrophobicContact CD-CE2 4.48Å; K619-Y861 VanDerWaalsContact NZ-CD2 3.31Å; K619-Y861 VanDerWaalsContact NZ-CG 3.26Å; I857-Y861 VanDerWaalsContact O-CB 3.23Å; I857-Y861 WeakPolarHBondContact O-CB 3.46Å; I857-Y861 PolarHBondContact O-N 2.96Å; M858-Y861 WeakPolarHBondContact O-CB 3.48Å; M858-Y861 PolarHBondContact O-N 3.36Å; Y861-Y864 PolarHBondContact O-N 3.25Å; Y861-H865 HydrophobicContact CD1-CB 4.38Å; Y861-H865 HydrophobicContact CE1-CB 4.06Å; Y861-H865 AromaticContact CE1-CD2 3.96Å; Y861-H865 AromaticContact CZ-CD2 3.61Å; Y861-H865 WeakPolarHBondContact O-CB 3.38Å; Y861-H865 PolarHBondContact O-N 2.84Å; Y861-H865 PolarHBondContact OH-CD2 2.82Å; Y861-D1003 HydrophobicContact CE2-CB 4.48Å; Y861-D1003 VanDerWaalsContact OH-CG 3.26Å; Y861-D1003 PolarHBondContact OH-OD1 2.9Å; Y861-D1003 PolarHBondContact OH-OD2 2.87Å; Y861-M1005 HydrophobicContact CD2-SD 4.05Å; Y861-M1005 HydrophobicContact CE2-SD 4.49Å
862	E	80.7	Confident	76.6	Confident	108 Å²	108	45.8 Å²	45.8	51%	0.505	22%	0.216	S	C	.	.	H	α-helix	trans	-67.2	-36.3	178.4	-74.8	172.6	-170.8	0	0	113.5	R757 M858 K859 I860	R757-E862 PolarHBondContact NH1-O 3.22Å; R757-E862 PolarHBondContact NH2-O 2.96Å; M858-E862 WeakPolarHBondContact O-CG 3.47Å; M858-E862 PolarHBondContact O-N 3.26Å; K859-E862 PolarHBondContact O-N 3.41Å; I860-E862 VanDerWaalsContact C-N 3.32Å; I860-E862 PolarHBondContact O-N 2.82Å
863	L	82	Confident	76.7	Confident	17 Å²	17	40.8 Å²	40.8	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-40.1	176.4	-76.1	168.7	0	0	0	112.8	R757 I760 K859 I860	R757-L863 HydrophobicContact CB-CD2 4.02Å; R757-L863 HydrophobicContact CG-CD2 4.12Å; I760-L863 HydrophobicContact CB-CD2 4.06Å; I760-L863 HydrophobicContact CG2-CD1 4.36Å; I760-L863 HydrophobicContact CG2-CD2 3.89Å; K859-L863 WeakPolarHBondContact O-CB 3.39Å; K859-L863 VanDerWaalsContact O-CG 3.28Å; K859-L863 WeakPolarHBondContact O-CG 3.39Å; K859-L863 PolarHBondContact O-N 2.79Å; I860-L863 PolarHBondContact O-N 2.84Å
864	Y	83.7	Confident	76.7	Confident	65 Å²	65	41.6 Å²	41.6	26%	0.255	20%	0.203	S	C	.	.	H	α-helix	trans	-95.6	-20.2	-175.4	-73.3	-109	0	0	0	113.8	K761 I860 Y861 V866 M1005 I1006 D1007	K761-Y864 WeakPolarHBondContact CE-OH 3.5Å; I860-Y864 HydrophobicContact CG2-CD2 4.02Å; I860-Y864 HydrophobicContact CG2-CE2 4.15Å; I860-Y864 VanDerWaalsContact O-CD2 3.29Å; I860-Y864 WeakPolarHBondContact O-CD2 3.24Å; I860-Y864 PolarHBondContact O-N 2.9Å; I860-Y864 VanDerWaalsContact O-N 3.11Å; Y861-Y864 PolarHBondContact O-N 3.25Å; Y864-V866 PolarHBondContact O-N 2.9Å; Y864-M1005 CarbonylContact O-C 3.53Å; Y864-M1005 VanDerWaalsContact O-CA 3.27Å; Y864-M1005 WeakPolarHBondContact O-CA 3.3Å; Y864-I1006 WeakPolarHBondContact CA-O 3.41Å; Y864-I1006 PolarHBondContact O-N 2.94Å; Y864-D1007 HydrophobicContact CD1-CB 4.25Å; Y864-D1007 HydrophobicContact CE1-CB 3.91Å
865	H	87	Confident	76.1	Confident	39 Å²	39	41.3 Å²	41.3	18%	0.181	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117	179.2	174.9	-79.4	0	0	0	111.1	R757 Y861 D1003	R757-H865 PolarHBondContact NH1-O 2.88Å; Y861-H865 HydrophobicContact CD1-CB 4.38Å; Y861-H865 HydrophobicContact CE1-CB 4.06Å; Y861-H865 AromaticContact CE1-CD2 3.96Å; Y861-H865 AromaticContact CZ-CD2 3.61Å; Y861-H865 WeakPolarHBondContact O-CB 3.38Å; Y861-H865 PolarHBondContact O-N 2.84Å; Y861-H865 PolarHBondContact OH-CD2 2.82Å; H865-D1003 IonicContact NE2-OD1 2.68Å
866	V	87	Confident	75.1	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-40.5	176.8	-172.4	0	0	0	0	111	D646 I647 Y754 Y864 I1004 I1006 V1011	D646-V866 HydrophobicContact CB-CG1 3.82Å; D646-V866 WeakPolarHBondContact CB-O 3.14Å; D646-V866 PolarHBondContact N-O 2.82Å; I647-V866 HydrophobicContact CG2-CG1 3.71Å; Y754-V866 HydrophobicContact CE1-CG2 4.2Å; Y864-V866 PolarHBondContact O-N 2.9Å; V866-I1004 PolarHBondContact N-O 2.64Å; V866-I1006 HydrophobicContact CG2-CB 3.79Å; V866-I1006 HydrophobicContact CG2-CD1 4.35Å; V866-I1006 HydrophobicContact CG2-CG1 4.12Å; V866-V1011 HydrophobicContact CG2-CG2 4.11Å
867	G	87.9	Confident	74.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	-167.2	-178.3	0	0	0	0	0	113.2	N644 I1004	N644-G867 CarbonylContact O-C 3.57Å; N644-G867 WeakPolarHBondContact O-CA 3.33Å; G867-I1004 WeakPolarHBondContact O-CA 3.41Å; G867-I1004 VanDerWaalsContact O-CB 3.31Å; G867-I1004 WeakPolarHBondContact O-CB 3.36Å; G867-I1004 PolarHBondContact O-N 2.74Å
868	T	88.2	Confident	72.7	Confident	15 Å²	15	44.1 Å²	44.1	9%	0.092	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.9	-179.3	60.5	0	0	0	0	112.2	N644 T1001 Y1002 D1003	N644-T868 PolarHBondContact N-O 3.33Å; N644-T868 PolarHBondContact O-N 3.36Å; T868-T1001 HydrophobicContact CG2-CG2 4.29Å; T868-Y1002 CarbonylContact C-O 3.5Å; T868-Y1002 VanDerWaalsContact CA-O 3.24Å; T868-Y1002 WeakPolarHBondContact CA-O 3.43Å; T868-D1003 VanDerWaalsContact CG2-OD1 3.27Å; T868-D1003 WeakPolarHBondContact CG2-OD1 3.44Å
869	V	88	Confident	70.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.2	162.9	-170.5	0	0	0	0	108.7	I575 I586 L611 L641 R642 F643 T1001 Y1002 I1004	I575-V869 HydrophobicContact CD1-CG1 3.96Å; I586-V869 HydrophobicContact CD1-CG2 3.78Å; I586-V869 HydrophobicContact CG2-CG2 4.47Å; L611-V869 HydrophobicContact CD1-CG2 4.15Å; L641-V869 HydrophobicContact CB-CG1 4.17Å; L641-V869 HydrophobicContact CD2-CG1 3.93Å; L641-V869 HydrophobicContact CG-CG1 4.3Å; R642-V869 WeakPolarHBondContact O-CA 3.47Å; F643-V869 HydrophobicContact CD1-CG2 4.01Å; F643-V869 HydrophobicContact CE1-CG1 4.18Å; F643-V869 HydrophobicContact CE1-CG2 3.8Å; V869-T1001 CarbonylContact O-C 3.02Å; V869-T1001 WeakPolarHBondContact O-CA 3.47Å; V869-Y1002 PolarHBondContact N-O 2.99Å; V869-Y1002 PolarHBondContact O-N 2.83Å; V869-I1004 HydrophobicContact CG2-CD1 3.7Å; V869-I1004 HydrophobicContact CG2-CG1 3.98Å
870	E	86.4	Confident	68.2	Low	36 Å²	36	48 Å²	48	17%	0.168	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.6	167.5	-67.2	172.1	-158.9	0	0	110.1	L641 R642 N644 W872 P998 T1001	L641-E870 CarbonylContact C-O 3.45Å; L641-E870 WeakPolarHBondContact CA-O 3.38Å; R642-E870 HydrophobicContact CB-CB 4.37Å; R642-E870 PolarHBondContact N-O 2.78Å; R642-E870 PolarHBondContact O-N 3.03Å; N644-E870 PolarHBondContact ND2-OE1 3.35Å; E870-W872 PolarHBondContact OE2-NE1 2.95Å; E870-P998 HydrophobicContact CB-CB 4Å; E870-P998 HydrophobicContact CB-CG 4.36Å; E870-P998 HydrophobicContact CG-CB 4.35Å; E870-P998 HydrophobicContact CG-CG 4.16Å; E870-T1001 HydrophobicContact CG-CG2 4.04Å
871	I	80.8	Confident	65.8	Low	2 Å²	2	53.1 Å²	53.1	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.8	170.7	-50	-171.6	0	0	0	108.7	I573 I575 L639 P998 L999 A1000 Y1002	I573-I871 HydrophobicContact CB-CD1 4.47Å; I573-I871 HydrophobicContact CG2-CD1 3.62Å; I575-I871 HydrophobicContact CD1-CD1 3.56Å; I575-I871 HydrophobicContact CD1-CG1 3.8Å; I575-I871 HydrophobicContact CG1-CD1 4.16Å; L639-I871 HydrophobicContact CB-CG2 4.24Å; L639-I871 HydrophobicContact CD1-CG2 4.4Å; L639-I871 HydrophobicContact CD2-CG2 4Å; L639-I871 HydrophobicContact CG-CG2 4.45Å; I871-P998 CarbonylContact O-C 3.54Å; I871-P998 WeakPolarHBondContact O-CB 3.28Å; I871-L999 HydrophobicContact CG2-CD2 4.3Å; I871-L999 WeakPolarHBondContact O-CB 3.41Å; I871-L999 PolarHBondContact O-N 3.32Å; I871-A1000 HydrophobicContact CD1-CB 4.49Å; I871-A1000 PolarHBondContact N-O 2.96Å; I871-Y1002 HydrophobicContact CD1-CD2 4.34Å; I871-Y1002 HydrophobicContact CD1-CE2 3.51Å; I871-Y1002 HydrophobicContact CG1-CD2 4.31Å; I871-Y1002 HydrophobicContact CG1-CE2 3.88Å
872	W	75.8	Confident	63.4	Low	37 Å²	37	59.4 Å²	59.4	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.9	176.4	-73	76.6	0	0	0	109.9	L639 E640 R642 E870 V874 L995 P998	L639-W872 CarbonylContact C-O 3.51Å; L639-W872 WeakPolarHBondContact CA-O 3.48Å; E640-W872 HydrophobicContact CB-CB 4.25Å; E640-W872 PolarHBondContact N-O 3.08Å; E640-W872 PolarHBondContact O-N 2.99Å; R642-W872 HydrophobicContact CG-CG 4.39Å; R642-W872 VanDerWaalsContact NH1-CD2 3.27Å; R642-W872 VanDerWaalsContact NH1-CE2 3.28Å; E870-W872 PolarHBondContact OE2-NE1 2.95Å; W872-V874 HydrophobicContact CB-CG2 3.96Å; W872-L995 HydrophobicContact CE3-CB 4.33Å; W872-L995 VanDerWaalsContact CH2-O 3.23Å; W872-L995 WeakPolarHBondContact CH2-O 3.41Å; W872-L995 HydrophobicContact CZ3-CB 3.91Å; W872-L995 WeakPolarHBondContact CZ3-O 3.4Å; W872-P998 HydrophobicContact CD2-CB 4.46Å; W872-P998 HydrophobicContact CZ2-CB 4.36Å
873	L	65.5	Low	60.6	Low	21 Å²	21	63 Å²	63	11%	0.11	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.7	169.9	-171.7	72.2	0	0	0	108	Q358 F359 L637 L639 L995	Q358-L873 HydrophobicContact CB-CD2 3.79Å; F359-L873 HydrophobicContact CD1-CD1 4.38Å; F359-L873 HydrophobicContact CD1-CD2 4.2Å; F359-L873 HydrophobicContact CD2-CD2 4.03Å; F359-L873 HydrophobicContact CE1-CD1 3.69Å; F359-L873 HydrophobicContact CE1-CD2 3.95Å; F359-L873 HydrophobicContact CE1-CG 4.32Å; F359-L873 HydrophobicContact CE2-CD2 3.75Å; F359-L873 HydrophobicContact CG-CD2 4.24Å; F359-L873 HydrophobicContact CZ-CD1 3.89Å; F359-L873 HydrophobicContact CZ-CD2 3.71Å; F359-L873 HydrophobicContact CZ-CG 4.44Å; L637-L873 HydrophobicContact CD1-CD1 3.62Å; L639-L873 HydrophobicContact CD2-CD1 3.9Å; L873-L995 HydrophobicContact CB-CD1 4.47Å
874	V	59.6	Low	57.9	Low	26 Å²	26	68.5 Å²	68.5	16%	0.158	35%	0.35	C	S	.	.			trans	-142.7	143.2	-170	-167.1	0	0	0	0	109.7	C638 E640 W872	C638-V874 VanDerWaalsContact CB-O 3.3Å; C638-V874 WeakPolarHBondContact CB-O 3.36Å; C638-V874 PolarHBondContact O-N 2.89Å; E640-V874 HydrophobicContact CB-CB 4.36Å; E640-V874 HydrophobicContact CB-CG2 3.48Å; E640-V874 VanDerWaalsContact CB-CG2 3.48Å; E640-V874 HydrophobicContact CG-CG2 4.47Å; W872-V874 HydrophobicContact CB-CG2 3.96Å
875	P	49.5	Very low	55.1	Low	63 Å²	63	74.2 Å²	74.2	41%	0.409	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-56.2	147.5	171.2	21.6	-34	0	0	0	112.1	R728 F991	R728-P875 PolarHBondContact NH1-O 3.34Å; R728-P875 VanDerWaalsContact NH1-O 3.08Å; P875-F991 HydrophobicContact CG-CE1 4.28Å
876	P	47	Very low	52.2	Low	25 Å²	25	75 Å²	75	16%	0.162	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-59.9	148	172.2	28.6	-35.4	0	0	0	110	C638 D878	C638-P876 HydrophobicContact CB-CB 4.34Å; P876-D878 PolarHBondContact O-N 3.44Å
877	Y	47.7	Very low	49.3	Very low	135 Å²	135	82.4 Å²	82.4	53%	0.529	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-67.2	130.1	176.8	-93.6	-62.8	0	0	0	110.8	L722 R728 M879	L722-Y877 WeakPolarHBondContact CD2-OH 3.43Å; R728-Y877 VanDerWaalsContact NH1-CD2 3.34Å; R728-Y877 VanDerWaalsContact NH1-CE2 3.35Å; R728-Y877 PolarHBondContact NH2-OH 2.9Å; Y877-M879 PolarHBondContact O-N 3.25Å
878	D	35.5	Very low	46.3	Very low	93 Å²	93	89.8 Å²	89.8	50%	0.497	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-58.3	118.2	144.5	-74.4	-31.2	0	0	0	106.9	P876	P876-D878 PolarHBondContact O-N 3.44Å
879	M	26.3	Very low	43.3	Very low	114 Å²	114	97.6 Å²	97.6	56%	0.562	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-58.9	132.5	171.5	-172.8	-175.9	77.5	0	0	107.4	Y877 Q881	Y877-M879 PolarHBondContact O-N 3.25Å; M879-Q881 PolarHBondContact O-N 2.66Å
880	P	24.4	Very low	40.4	Very low	113 Å²	113	103 Å²	103	73%	0.734	54%	0.544	S	S	*	.			trans	-59.4	105.9	-179.1	23.6	-33.6	0	0	0	109.1	L882	P880-L882 PolarHBondContact O-N 2.99Å
881	Q	25	Very low	37.5	Very low	178 Å²	178	110.5 Å²	110.5	83%	0.832	58%	0.579	S	S	*	*			trans	-61	119.8	166.4	-67.1	179.6	-7.7	0	0	105.5	M879 E883	M879-Q881 PolarHBondContact O-N 2.66Å; Q881-E883 PolarHBondContact O-N 3.4Å
882	L	23	Very low	34.9	Very low	159 Å²	159	118.8 Å²	118.8	83%	0.832	62%	0.618	S	S	*	*			trans	-52.3	127.6	165.4	-78.9	163.3	0	0	0	106.6	P880 V884	P880-L882 PolarHBondContact O-N 2.99Å; L882-V884 PolarHBondContact O-N 3.31Å
883	E	23.3	Very low	32.4	Very low	183 Å²	183	126.5 Å²	126.5	86%	0.855	65%	0.652	S	S	*	*			trans	-62.2	93.5	172.7	-71.1	-173	156.5	0	0	107.9	Q881 K885	Q881-E883 PolarHBondContact O-N 3.4Å; E883-K885 VanDerWaalsContact C-N 3.28Å; E883-K885 PolarHBondContact O-N 2.99Å
884	V	24.6	Very low	30.6	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	69%	0.688	S	S	*	*			trans	-57.1	104	157.9	178.7	0	0	0	0	103.9	L882 G886	L882-V884 PolarHBondContact O-N 3.31Å; V884-G886 PolarHBondContact O-N 2.82Å
885	K	24.3	Very low	29	Very low	185 Å²	185	141 Å²	141	80%	0.804	72%	0.722	S	S	*	*			trans	-53.5	111.7	174.4	-74.4	-176.7	176.5	-179.7	0	106	E883 D887	E883-K885 VanDerWaalsContact C-N 3.28Å; E883-K885 PolarHBondContact O-N 2.99Å; K885-D887 PolarHBondContact O-N 3.41Å
886	G	25.8	Very low	27.7	Very low	54 Å²	54	146.9 Å²	146.9	56%	0.557	74%	0.744	S	S	*	*			trans	-56.6	114.5	173.3	0	0	0	0	0	107.2	V884 N888	V884-G886 PolarHBondContact O-N 2.82Å; G886-N888 PolarHBondContact O-N 3.23Å; G886-N888 VanDerWaalsContact O-N 3.12Å; G886-N888 PolarHBondContact O-ND2 2.98Å
887	D	26.3	Very low	26.7	Very low	158 Å²	158	152.5 Å²	152.5	85%	0.845	78%	0.778	S	S	*	*			trans	-57.3	122	173.6	-86	-42.6	0	0	0	107.1	K885 E889	K885-D887 PolarHBondContact O-N 3.41Å; D887-E889 PolarHBondContact O-N 3Å
888	N	25.5	Very low	25.6	Very low	156 Å²	156	154.8 Å²	154.8	83%	0.834	79%	0.79	S	S	*	*			trans	-77.6	77.6	-172.7	-75.4	-96.8	0	0	0	108.6	G886 P890	G886-N888 PolarHBondContact O-N 3.23Å; G886-N888 VanDerWaalsContact O-N 3.12Å; G886-N888 PolarHBondContact O-ND2 2.98Å; N888-P890 VanDerWaalsContact O-CD 3.29Å; N888-P890 WeakPolarHBondContact O-CD 3.26Å
889	E	26	Very low	25.2	Very low	179 Å²	179	156.7 Å²	156.7	84%	0.836	80%	0.801	S	S	*	*			trans	-58	117.5	159.6	-78.1	-152.4	139	0	0	107.8	D887 Q891	D887-E889 PolarHBondContact O-N 3Å; E889-Q891 PolarHBondContact O-N 3.49Å; E889-Q891 VanDerWaalsContact O-N 3.08Å
890	P	26.3	Very low	25.1	Very low	114 Å²	114	157.8 Å²	157.8	74%	0.74	81%	0.809	S	S	*	*			trans	-73	109.2	-175.9	28.8	-32.8	0	0	0	109	N888 E892	N888-P890 VanDerWaalsContact O-CD 3.29Å; N888-P890 WeakPolarHBondContact O-CD 3.26Å; P890-E892 VanDerWaalsContact C-N 3.34Å; P890-E892 PolarHBondContact O-N 2.81Å
891	Q	25.1	Very low	25.2	Very low	192 Å²	192	159.9 Å²	159.9	90%	0.897	81%	0.813	S	S	*	*			trans	-64.9	95.2	169.2	-73.2	-168.1	-5.8	0	0	109.9	E889 K893	E889-Q891 PolarHBondContact O-N 3.49Å; E889-Q891 VanDerWaalsContact O-N 3.08Å; Q891-K893 PolarHBondContact O-N 2.79Å
892	E	27.2	Very low	25.2	Very low	177 Å²	177	155.8 Å²	155.8	83%	0.827	80%	0.804	S	S	*	*			trans	-58.4	125.6	166.4	-82	-159.1	120.7	0	0	109.7	P890 Q894	P890-E892 VanDerWaalsContact C-N 3.34Å; P890-E892 PolarHBondContact O-N 2.81Å; E892-Q894 PolarHBondContact O-N 3.06Å
893	K	23.2	Very low	25.2	Very low	198 Å²	198	155 Å²	155	86%	0.861	81%	0.806	S	S	*	*			trans	-70.1	125	172.6	-63.1	171	-179.1	172.7	0	109	Q891	Q891-K893 PolarHBondContact O-N 2.79Å
894	Q	27.3	Very low	25.2	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	80%	0.801	S	S	*	*			trans	-149.1	166.4	148	-121.3	162.2	102.5	0	0	113.5	E892	E892-Q894 PolarHBondContact O-N 3.06Å
895	L	26.3	Very low	25.1	Very low	165 Å²	165	149.5 Å²	149.5	86%	0.864	80%	0.799	S	S	*	*			trans	-88.4	166.4	-150.4	-124.8	71.3	0	0	0	114.7
896	E	21.1	Very low	25.1	Very low	185 Å²	185	146.7 Å²	146.7	86%	0.864	80%	0.801	S	S	*	*			trans	-58.3	133.7	167.3	-51.4	178.6	115.2	0	0	112
897	T	27.5	Very low	24.9	Very low	143 Å²	143	152.2 Å²	152.2	88%	0.877	81%	0.81	S	S	*	*			trans	-145	145.2	145.1	-30.2	0	0	0	0	111
898	K	23.9	Very low	25	Very low	183 Å²	183	150.3 Å²	150.3	80%	0.796	81%	0.806	S	S	*	*			trans	-86	140.3	179.9	-60.9	164.9	-179	166	0	111.6
899	N	26.4	Very low	24.8	Very low	134 Å²	134	149.5 Å²	149.5	72%	0.717	80%	0.802	S	S	*	*				161.4	145.1	117	-80.6	-38.1	0	0	0	113.6
900	N	23.8	Very low	25	Very low	137 Å²	137	149.3 Å²	149.3	73%	0.733	81%	0.805	S	S	*	*			trans	16.2	139.5	142.3	-43.7	-33.2	0	0	0	118.8
901	L	27.5	Very low	24.8	Very low	157 Å²	157	155.6 Å²	155.6	82%	0.822	81%	0.814	S	S	*	*				-175.8	155.5	51.9	-162.7	75.5	0	0	0	113
902	S	24.7	Very low	25	Very low	92 Å²	92	151.9 Å²	151.9	64%	0.643	81%	0.809	S	S	*	*			trans	34.8	113.1	152.2	62.6	0	0	0	0	124.1
903	V	22.9	Very low	25.1	Very low	142 Å²	142	150.3 Å²	150.3	86%	0.861	81%	0.812	S	S	*	*				5.5	128.5	123.8	-176.8	0	0	0	0	118.7
904	S	23	Very low	25.2	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	80%	0.801	S	S	*	*				171	141.1	113.8	-167.5	0	0	0	0	115
905	A	23.6	Very low	25.3	Very low	92 Å²	92	141.6 Å²	141.6	76%	0.76	79%	0.788	S	S	*	*			trans	58.1	154.3	157.9	0	0	0	0	0	119
906	C	24.3	Very low	25.4	Very low	125 Å²	125	142.6 Å²	142.6	85%	0.845	78%	0.781	S	S	*	*			cis	-153.4	168.3	15.8	-151.7	0	0	0	0	112.5
907	K	20.9	Very low	25.7	Very low	170 Å²	170	142.2 Å²	142.2	74%	0.739	78%	0.78	S	S	*	*			trans	-119.5	136.8	169.9	-122.9	-159.7	179.1	-154.7	0	109.5
908	P	29	Very low	25.6	Very low	118 Å²	118	142.2 Å²	142.2	77%	0.766	77%	0.774	S	S	*	*			trans	-111.8	122.9	161.7	33.9	-23.3	0	0	0	111.5
909	D	20.7	Very low	25.8	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	78%	0.778	S	S	*	*			trans	-96.5	131.8	161.9	-76.6	-36.6	0	0	0	109
910	L	30.7	Very low	25.6	Very low	174 Å²	174	144.4 Å²	144.4	91%	0.911	78%	0.783	S	S	*	*			trans	-119.9	135.8	171.2	-95.3	167.8	0	0	0	110
911	R	22.5	Very low	25.9	Very low	247 Å²	247	143.5 Å²	143.5	93%	0.932	78%	0.784	S	S	*	*			trans	-100	130.5	-171.8	-65.9	177.7	176	175.5	-1.9	112.9
912	S	28.2	Very low	25.8	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	78%	0.779	S	S	*	*			trans	-164.3	147.3	160.5	64.4	0	0	0	0	108.3
913	V	28.7	Very low	26	Very low	145 Å²	145	145.8 Å²	145.8	88%	0.879	79%	0.79	S	S	*	*			cis	-125.5	165.4	-21.1	-173.7	0	0	0	0	107
914	S	26.8	Very low	26.1	Very low	91 Å²	91	145.6 Å²	145.6	64%	0.636	79%	0.785	S	S	*	*			trans	-116.6	-176.3	-179.4	60.4	0	0	0	0	113.7
915	N	27.8	Very low	26.6	Very low	111 Å²	111	148.9 Å²	148.9	59%	0.594	79%	0.785	S	S	*	*			trans	108	138.1	158.9	-57.9	-7.6	0	0	0	115
916	Y	29.4	Very low	26.8	Very low	186 Å²	186	152.2 Å²	152.2	73%	0.729	79%	0.785	S	S	*	*			cis	-141.2	176.9	-11.9	-93	-54.4	0	0	0	106.7
917	E	27.8	Very low	27	Very low	178 Å²	178	151 Å²	151	83%	0.832	78%	0.778	S	S	*	*			cis	-152.3	175.1	18.3	-152.5	157.1	-143.3	0	0	111.8
918	N	25.3	Very low	27.3	Very low	142 Å²	142	149 Å²	149	76%	0.759	78%	0.78	S	S	*	*			trans	-111.2	145.9	-174.1	-61.6	-81.7	0	0	0	113.5
919	V	27.5	Very low	27.3	Very low	144 Å²	144	149.3 Å²	149.3	87%	0.873	78%	0.783	S	S	*	*			trans	-141.1	121.3	142.5	-176.1	0	0	0	0	110.9
920	R	22.7	Very low	28.1	Very low	220 Å²	220	148.2 Å²	148.2	83%	0.83	78%	0.783	S	S	*	*			trans	-157.4	118.5	160.6	-146.7	-171	-159.7	-165.1	7.4	109.3
921	P	30.2	Very low	27.9	Very low	117 Å²	117	146.7 Å²	146.7	76%	0.76	78%	0.781	S	S	*	*			trans	-90.3	144.1	172	33.1	-30.7	0	0	0	111.5
922	H	25.4	Very low	28.1	Very low	152 Å²	152	139.9 Å²	139.9	70%	0.704	77%	0.771	S	S	*	*			trans	-97.6	152.4	169.2	-82.2	-111.3	0	0	0	110.9
923	T	29.5	Very low	28.7	Very low	145 Å²	145	139.8 Å²	139.8	89%	0.89	77%	0.768	S	S	*	*			trans	-132.3	116.5	155.1	51.9	0	0	0	0	108.8
924	N	25.2	Very low	28.7	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	77%	0.766	S	S	*	*			trans	-92.1	156.7	178	-63.9	-21.8	0	0	0	110.9
925	K	32.1	Very low	28.9	Very low	178 Å²	178	140.5 Å²	140.5	77%	0.774	77%	0.77	S	S	*	*			trans	-167.2	118.8	133.7	-96.6	-166.4	174.1	-162.7	0	108.2
926	E	28.1	Very low	28.9	Very low	161 Å²	161	146.9 Å²	146.9	75%	0.752	79%	0.786	S	S	*	*				70.7	130.6	103.7	-66.7	-179.9	127	0	0	113.3
927	S	29.3	Very low	29.1	Very low	101 Å²	101	143.5 Å²	143.5	71%	0.706	79%	0.787	S	S	*	*			cis	-158.7	145.2	14.6	54.7	0	0	0	0	115.7
928	T	27.2	Very low	29.2	Very low	127 Å²	127	144.6 Å²	144.6	78%	0.779	79%	0.789	S	S	*	*			trans	50.5	126.8	143.4	58.7	0	0	0	0	123.7
929	P	27.8	Very low	29.5	Very low	125 Å²	125	142.6 Å²	142.6	81%	0.812	79%	0.786	S	S	*	*				-133.7	-164.5	123.3	43.3	-33.2	0	0	0	110.5
930	P	37.7	Very low	29.5	Very low	117 Å²	117	140.5 Å²	140.5	76%	0.76	78%	0.778	S	S	*	*			cis	-128.3	-173.3	-15.3	42.6	-27.2	0	0	0	114
931	T	27.2	Very low	29.6	Very low	141 Å²	141	139.5 Å²	139.5	87%	0.865	78%	0.78	S	S	*	*			trans	-140.8	152.7	162.6	-45.1	0	0	0	0	111.2
932	S	26.4	Very low	29.7	Very low	105 Å²	105	138.4 Å²	138.4	73%	0.734	77%	0.773	S	S	*	*			trans	-149.9	-166.1	-175.6	56.7	0	0	0	0	112.1
933	P	40.4	Very low	29.8	Very low	110 Å²	110	139.5 Å²	139.5	71%	0.714	78%	0.778	S	S	*	*				-119	-168	-86.6	40.5	-25.3	0	0	0	112.8
934	I	28.6	Very low	29.7	Very low	163 Å²	163	138.5 Å²	138.5	84%	0.836	77%	0.772	S	S	*	*			trans	171.7	153	141.2	-93.7	157.3	0	0	0	115.4
935	A	31.6	Very low	29.7	Very low	88 Å²	88	143.2 Å²	143.2	73%	0.727	78%	0.78	S	S	*	*			trans	77.5	145.7	160.3	0	0	0	0	0	121.2
936	R	28	Very low	29.3	Very low	245 Å²	245	143.5 Å²	143.5	93%	0.925	78%	0.783	S	S	*	*			cis	-160.3	162.9	-25.2	-116.7	-170.4	175.8	178.4	-0.4	110.4
937	P	32.6	Very low	29.1	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	79%	0.786	S	S	*	*			trans	-117	177.9	-165.3	43.3	-35.7	0	0	0	117.1
938	K	30.5	Very low	29	Very low	200 Å²	200	146.6 Å²	146.6	87%	0.87	79%	0.794	S	S	*	*			trans	-148.3	143.4	158.8	-76	-166.5	176.9	-179	0	113.5
939	S	31	Very low	28.8	Very low	100 Å²	100	144.9 Å²	144.9	70%	0.699	79%	0.793	S	S	*	*			trans	35	123.9	157.3	53.2	0	0	0	0	121.7
940	S	27.7	Very low	28.6	Very low	101 Å²	101	145.7 Å²	145.7	71%	0.706	79%	0.789	S	S	*	*			cis	75.5	141.5	45.5	77.6	0	0	0	0	114.9
941	F	24.4	Very low	28.2	Very low	199 Å²	199	146 Å²	146	87%	0.873	79%	0.791	S	S	*	*			cis	-179.2	173.5	-16.5	-111.4	-74.6	0	0	0	104.8
942	P	33.6	Very low	28	Very low	94 Å²	94	146.2 Å²	146.2	61%	0.61	79%	0.787	S	S	*	*			cis	-135.8	-177.6	-8.9	43.7	-25.7	0	0	0	116.9
943	Q	27.3	Very low	28	Very low	174 Å²	174	148.4 Å²	148.4	81%	0.813	79%	0.791	S	S	*	*			trans	46.9	138.4	145.5	-70.6	165.6	-10.9	0	0	121.6
944	T	26.8	Very low	27.3	Very low	124 Å²	124	148.8 Å²	148.8	76%	0.761	80%	0.795	S	S	*	*			cis	-153.2	154.6	38.1	-34.4	0	0	0	0	113.8
945	R	25.8	Very low	27.2	Very low	239 Å²	239	148.3 Å²	148.3	90%	0.902	80%	0.8	S	S	*	*			trans	66.8	97.3	167.3	-57.9	-164.1	178.2	-178.9	-0.4	119
946	Q	22.8	Very low	26.9	Very low	183 Å²	183	146.3 Å²	146.3	86%	0.855	79%	0.788	S	S	*	*			trans	-125.1	160.9	139.7	-81.3	-167.3	-3	0	0	108.9
947	P	25.2	Very low	26.6	Very low	123 Å²	123	140.3 Å²	140.3	80%	0.799	78%	0.784	S	S	*	*			trans	-124.5	110.9	149.6	33.4	-20.3	0	0	0	113.2
948	K	26.6	Very low	26.2	Very low	204 Å²	204	145.3 Å²	145.3	89%	0.887	79%	0.789	S	S	*	*			trans	60.9	122.5	149.4	-62.5	-174.9	174.7	-177.8	0	120.3
949	A	23.6	Very low	25.9	Very low	91 Å²	91	144.6 Å²	144.6	75%	0.752	79%	0.786	S	S	*	*			trans	-94.1	169	156.9	0	0	0	0	0	112.2
950	I	23.3	Very low	25.6	Very low	143 Å²	143	147.2 Å²	147.2	73%	0.733	79%	0.792	S	S	*	*			trans	-29.3	139.3	165.8	-58.8	153.1	0	0	0	115.4
951	P	28.3	Very low	25.5	Very low	122 Å²	122	150.9 Å²	150.9	79%	0.792	80%	0.798	S	S	*	*			trans	-96.7	137.3	146.1	35.3	-26.8	0	0	0	111.4
952	D	23.6	Very low	25.5	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	79%	0.788	S	S	*	*			trans	-86.9	-179.4	169.3	-95.6	-51.6	0	0	0	111.9
953	D	25.8	Very low	25.2	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	80%	0.798	S	S	*	*			trans	67.8	97.5	170.9	-72.7	-30.4	0	0	0	118.9
954	S	26.8	Very low	25.3	Very low	117 Å²	117	147.9 Å²	147.9	82%	0.818	78%	0.78	S	S	*	*				-157	136.9	109.4	49.4	0	0	0	0	112.1	G956	S954-G956 PolarHBondContact O-N 2.9Å
955	V	25.3	Very low	25.6	Very low	153 Å²	153	147 Å²	147	93%	0.927	77%	0.771	S	S	*	*			trans	-79.9	82	-177.2	-178.2	0	0	0	0	110.6
956	G	25.1	Very low	25.9	Very low	47 Å²	47	136.9 Å²	136.9	49%	0.485	74%	0.735	S	S	.	*			trans	-92	123.1	173.1	0	0	0	0	0	112.6	S954 Y958	S954-G956 PolarHBondContact O-N 2.9Å; G956-Y958 PolarHBondContact O-N 2.98Å
957	S	22.1	Very low	26.6	Very low	118 Å²	118	129.4 Å²	129.4	83%	0.825	70%	0.701	S	S	*	*			trans	-74.8	85.2	178.8	-170.7	0	0	0	0	112	K959	S957-K959 PolarHBondContact O-N 2.9Å
958	Y	24.9	Very low	27	Very low	221 Å²	221	124.6 Å²	124.6	87%	0.867	67%	0.67	S	S	*	*			trans	-68.6	96.4	171.1	-82.2	-82	0	0	0	110.8	G956	G956-Y958 PolarHBondContact O-N 2.98Å
959	K	24.7	Very low	27.3	Very low	186 Å²	186	117.3 Å²	117.3	81%	0.809	64%	0.64	S	S	*	*			trans	-55.4	142.8	166.2	-73.8	-179	176.5	176.9	0	110.1	S957 Q961	S957-K959 PolarHBondContact O-N 2.9Å; K959-Q961 PolarHBondContact O-N 3.29Å
960	N	24.5	Very low	27.7	Very low	154 Å²	154	114.3 Å²	114.3	82%	0.824	61%	0.612	S	S	*	*			trans	-51.6	91.6	179	-70.9	-61.5	0	0	0	113.8
961	Q	24.2	Very low	28.2	Very low	179 Å²	179	109.3 Å²	109.3	84%	0.836	59%	0.588	S	S	*	*			trans	-99.6	88.9	155.8	-72.7	-167.1	-6	0	0	108.2	K959 L963	K959-Q961 PolarHBondContact O-N 3.29Å; Q961-L963 PolarHBondContact O-N 3.09Å
962	K	25.7	Very low	28.4	Very low	154 Å²	154	105.8 Å²	105.8	67%	0.67	56%	0.564	S	S	*	*			trans	-65.4	106	169	-68.4	-176.9	179	-178.1	0	108	H964	K962-H964 VanDerWaalsContact C-N 3.27Å; K962-H964 VanDerWaalsContact CB-NE2 3.31Å; K962-H964 WeakPolarHBondContact CB-NE2 3.42Å; K962-H964 WeakPolarHBondContact CD-NE2 3.17Å; K962-H964 PolarHBondContact O-CD2 3.37Å; K962-H964 PolarHBondContact O-N 3.34Å
963	L	25.8	Very low	28.7	Very low	156 Å²	156	101.9 Å²	101.9	82%	0.817	55%	0.548	S	S	*	.			trans	-66.2	89.3	170.2	-74.6	168.3	0	0	0	108.9	Q961 N965	Q961-L963 PolarHBondContact O-N 3.09Å; L963-N965 PolarHBondContact O-N 2.78Å
964	H	29.3	Very low	28.9	Very low	93 Å²	93	96.8 Å²	96.8	43%	0.431	53%	0.531	S	S	.	.			trans	-88.8	83.2	-179.3	-77.8	-61.7	0	0	0	110.2	K962 V966	K962-H964 VanDerWaalsContact C-N 3.27Å; K962-H964 VanDerWaalsContact CB-NE2 3.31Å; K962-H964 WeakPolarHBondContact CB-NE2 3.42Å; K962-H964 WeakPolarHBondContact CD-NE2 3.17Å; K962-H964 PolarHBondContact O-CD2 3.37Å; K962-H964 PolarHBondContact O-N 3.34Å; H964-V966 PolarHBondContact O-N 3.16Å
965	N	34.5	Very low	29	Very low	107 Å²	107	94.2 Å²	94.2	57%	0.572	51%	0.507	S	S	*	.			trans	-67.5	98.1	174.2	-64.6	9.5	0	0	0	109.6	L963	L963-N965 PolarHBondContact O-N 2.78Å
966	V	32.6	Very low	29.2	Very low	25 Å²	25	92.7 Å²	92.7	15%	0.152	49%	0.49	C	S	.	.			trans	-78.1	114.3	162.1	173.8	0	0	0	0	106.4	V458 Q460 L507 R511 H964	V458-V966 HydrophobicContact CG1-CG2 4.07Å; Q460-V966 HydrophobicContact CB-CG1 4.47Å; Q460-V966 HydrophobicContact CB-CG2 4.45Å; L507-V966 HydrophobicContact CB-CG1 4.3Å; R511-V966 HydrophobicContact CG-CG2 4.33Å; H964-V966 PolarHBondContact O-N 3.16Å
967	I	35.8	Very low	29.4	Very low	27 Å²	27	97.2 Å²	97.2	14%	0.138	50%	0.501	C	S	.	.			trans	-78.1	128.3	175	-75.9	170.4	0	0	0	108.4	T560 Q561	T560-I967 HydrophobicContact CG2-CD1 3.85Å; Q561-I967 HydrophobicContact CG-CG2 4.36Å
968	P	35	Very low	29.7	Very low	21 Å²	21	94.3 Å²	94.3	14%	0.136	48%	0.484	C	S	.	.			trans	-68.9	137.6	172.4	29.1	-33.9	0	0	0	110.7	L507 N970 C973	L507-P968 HydrophobicContact CD1-CB 3.79Å; L507-P968 HydrophobicContact CD2-CB 3.58Å; L507-P968 HydrophobicContact CG-CB 4.26Å; P968-N970 VanDerWaalsContact C-N 3.33Å; P968-C973 HydrophobicContact CG-CB 4.41Å
969	L	32.1	Very low	30	Very low	52 Å²	52	91.7 Å²	91.7	27%	0.272	48%	0.478	S	S	.	.	S	Bend	trans	-86	-5.8	161.9	-74.3	171.5	0	0	0	112.9	V508 S564	V508-L969 HydrophobicContact CG1-CD1 4.47Å; S564-L969 WeakPolarHBondContact OG-CD2 3.36Å
970	N	33	Very low	30.3	Very low	27 Å²	27	91.3 Å²	91.3	14%	0.144	48%	0.479	C	S	.	.	S	Bend	trans	-81.1	131.8	163.4	-78	-4	0	0	0	109.8	L507 P968 V972	L507-N970 HydrophobicContact CD2-CB 4.47Å; P968-N970 VanDerWaalsContact C-N 3.33Å; N970-V972 HydrophobicContact CB-CG2 4.36Å; N970-V972 PolarHBondContact O-N 3.03Å; N970-V972 VanDerWaalsContact O-N 3.1Å
971	T	33.3	Very low	30.4	Very low	38 Å²	38	92.3 Å²	92.3	23%	0.233	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	3.2	-174.4	38.2	0	0	0	0	115.9	D360 C973 G974	D360-T971 HydrophobicContact CB-CG2 3.98Å; T971-C973 VanDerWaalsContact C-N 3.31Å; T971-C973 PolarHBondContact O-N 2.82Å; T971-G974 PolarHBondContact O-N 2.96Å
972	V	31.5	Very low	30.3	Very low	48 Å²	48	89.4 Å²	89.4	29%	0.291	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-39.3	-174	-177.7	0	0	0	0	113.2	N970 G974 I975	N970-V972 HydrophobicContact CB-CG2 4.36Å; N970-V972 PolarHBondContact O-N 3.03Å; N970-V972 VanDerWaalsContact O-N 3.1Å; V972-G974 PolarHBondContact O-N 2.85Å; V972-I975 WeakPolarHBondContact O-CB 3.42Å; V972-I975 PolarHBondContact O-N 3.42Å
973	C	30.7	Very low	30.3	Very low	66 Å²	66	86.6 Å²	86.6	45%	0.446	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-7.5	179.9	-67.6	0	0	0	0	114.9	P968 T971	P968-C973 HydrophobicContact CG-CB 4.41Å; T971-C973 VanDerWaalsContact C-N 3.31Å; T971-C973 PolarHBondContact O-N 2.82Å
974	G	30.5	Very low	30.3	Very low	44 Å²	44	85.4 Å²	85.4	45%	0.454	48%	0.478	S	S	.	.	H	α-helix	trans	-75.8	-22.6	168.7	0	0	0	0	0	113.9	T971 V972	T971-G974 PolarHBondContact O-N 2.96Å; V972-G974 PolarHBondContact O-N 2.85Å
975	I	29.4	Very low	30	Very low	62 Å²	62	84.7 Å²	84.7	32%	0.318	50%	0.495	S	S	.	.	H	α-helix	trans	-89.2	-39.4	-168.1	-59.3	175.4	0	0	0	111.9	V972 A978	V972-I975 WeakPolarHBondContact O-CB 3.42Å; V972-I975 PolarHBondContact O-N 3.42Å; I975-A978 PolarHBondContact O-N 2.83Å
976	E	28.2	Very low	29.5	Very low	122 Å²	122	85 Å²	85	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-67.6	-44.5	-175.6	-65.5	169.7	154.3	0	0	111.8	A978 K979	E976-A978 PolarHBondContact O-N 3.06Å; E976-A978 VanDerWaalsContact O-N 3.16Å; E976-K979 PolarHBondContact O-N 2.79Å
977	I	30	Very low	29	Very low	141 Å²	141	89.7 Å²	89.7	72%	0.723	52%	0.524	S	S	*	.	H	α-helix	trans	-64	-23	-179.8	-56.1	174.4	0	0	0	111.8
978	A	28.8	Very low	28.4	Very low	57 Å²	57	96.6 Å²	96.6	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-78.3	-20.3	176.1	0	0	0	0	0	113.8	I975 E976	I975-A978 PolarHBondContact O-N 2.83Å; E976-A978 PolarHBondContact O-N 3.06Å; E976-A978 VanDerWaalsContact O-N 3.16Å
979	K	29.8	Very low	28	Very low	166 Å²	166	102.9 Å²	102.9	72%	0.722	59%	0.585	S	S	*	*	H	α-helix	trans	-86.1	-34.4	-174.5	-72.3	-178.7	178.8	176.3	0	114.2	E976	E976-K979 PolarHBondContact O-N 2.79Å
980	E	31.8	Very low	27.7	Very low	179 Å²	179	106.5 Å²	106.5	84%	0.836	61%	0.605	S	S	*	*	S	Bend	trans	-77.3	-25.1	-170.9	-70.1	-156.6	122	0	0	115.5
981	K	25.7	Very low	27.4	Very low	175 Å²	175	110.9 Å²	110.9	76%	0.761	62%	0.623	S	S	*	*			trans	-143.9	94.8	179.2	-74.4	-177.7	-179.5	155.7	0	111.6	P983	K981-P983 WeakPolarHBondContact O-CD 3.25Å
982	S	23.3	Very low	27.3	Very low	118 Å²	118	112.1 Å²	112.1	83%	0.825	63%	0.632	S	S	*	*			trans	-63.1	109.1	173	46.1	0	0	0	0	111.9
983	P	26.3	Very low	27.5	Very low	95 Å²	95	115.1 Å²	115.1	62%	0.617	66%	0.655	S	S	*	*			trans	-89.8	114.3	171.7	11.8	9.2	0	0	0	107.7	K981 G985	K981-P983 WeakPolarHBondContact O-CD 3.25Å; P983-G985 PolarHBondContact O-N 2.71Å
984	S	24.6	Very low	27.8	Very low	131 Å²	131	117 Å²	117	92%	0.916	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	103.8	177.5	55.7	0	0	0	0	111.1
985	G	24.2	Very low	28.4	Very low	78 Å²	78	117 Å²	117	80%	0.804	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	138.2	10.8	178.1	0	0	0	0	0	117.9	P983	P983-G985 PolarHBondContact O-N 2.71Å
986	V	22.1	Very low	29.5	Very low	114 Å²	114	122.2 Å²	122.2	69%	0.691	67%	0.67	S	S	*	*			trans	-120.9	112.6	170.1	-175.1	0	0	0	0	110.1
987	I	23.7	Very low	31.1	Very low	123 Å²	123	120 Å²	120	63%	0.631	67%	0.668	S	S	*	*			trans	-83.8	132.6	170.2	-57.3	171.3	0	0	0	107.2	E989	I987-E989 HydrophobicContact CG2-CB 4.32Å; I987-E989 HydrophobicContact CG2-CG 3.73Å; I987-E989 PolarHBondContact O-N 3.37Å
988	M	23.4	Very low	33.1	Very low	172 Å²	172	114.9 Å²	114.9	85%	0.847	64%	0.644	S	S	*	*	S	Bend	trans	-83.6	60.3	176.9	-66.4	-161.1	-58.4	0	0	112
989	E	25.6	Very low	35	Very low	152 Å²	152	115.4 Å²	115.4	71%	0.71	64%	0.638	S	S	*	*			trans	-89	-12.7	171.2	-85.1	167.6	175	0	0	112.8	I987 F991	I987-E989 HydrophobicContact CG2-CB 4.32Å; I987-E989 HydrophobicContact CG2-CG 3.73Å; I987-E989 PolarHBondContact O-N 3.37Å; E989-F991 VanDerWaalsContact C-N 3.27Å; E989-F991 PolarHBondContact O-N 2.83Å; E989-F991 VanDerWaalsContact O-N 3.14Å
990	D	25.1	Very low	37.1	Very low	129 Å²	129	107.7 Å²	107.7	69%	0.69	61%	0.605	S	S	*	*			trans	-85.1	29.1	-174.2	-77.3	-43.8	0	0	0	115.1	S361	S361-D990 WeakPolarHBondContact CB-O 3.44Å; S361-D990 PolarHBondContact OG-O 3.27Å
991	F	28	Very low	39.5	Very low	118 Å²	118	100.5 Å²	100.5	52%	0.518	57%	0.574	S	S	.	*	S	Bend	trans	-102.7	126	150.7	-106	-76.9	0	0	0	107.3	P875 E989 S993	P875-F991 HydrophobicContact CG-CE1 4.28Å; E989-F991 VanDerWaalsContact C-N 3.27Å; E989-F991 PolarHBondContact O-N 2.83Å; E989-F991 VanDerWaalsContact O-N 3.14Å; F991-S993 PolarHBondContact O-N 2.78Å
992	P	31.8	Very low	42.3	Very low	65 Å²	65	92.4 Å²	92.4	42%	0.422	54%	0.538	S	S	.	.			trans	-73.4	80.1	177	31	-34.8	0	0	0	110.8	D994 L995	P992-D994 PolarHBondContact O-N 3.5Å; P992-L995 PolarHBondContact O-N 3.48Å
993	S	34.4	Very low	45.2	Very low	111 Å²	111	88 Å²	88	78%	0.776	51%	0.505	S	S	*	.	S	Bend	trans	-51.8	-35.6	154.5	45.4	0	0	0	0	110.4	F991 L995	F991-S993 PolarHBondContact O-N 2.78Å; S993-L995 PolarHBondContact O-N 3.04Å
994	D	36.5	Very low	48.1	Very low	106 Å²	106	83.4 Å²	83.4	57%	0.567	48%	0.476	S	S	*	.			trans	-78.1	48.8	171.5	-92.7	10.3	0	0	0	114	P992 K996	P992-D994 PolarHBondContact O-N 3.5Å; D994-K996 HydrophobicContact CB-CG 4.21Å; D994-K996 WeakPolarHBondContact O-CG 3.25Å; D994-K996 PolarHBondContact O-N 3.48Å; D994-K996 WeakPolarHBondContact OD2-CE 3.37Å; D994-K996 IonicContact OD2-NZ 2.87Å; D994-K996 PolarHBondContact OD2-NZ 2.99Å
995	L	43.9	Very low	50.9	Low	44 Å²	44	80.9 Å²	80.9	23%	0.23	45%	0.451	C	S	.	.			trans	-70.4	82.1	154	-109.3	171.8	0	0	0	107.9	W872 L873 P992 S993 S997	W872-L995 HydrophobicContact CE3-CB 4.33Å; W872-L995 VanDerWaalsContact CH2-O 3.23Å; W872-L995 WeakPolarHBondContact CH2-O 3.41Å; W872-L995 HydrophobicContact CZ3-CB 3.91Å; W872-L995 WeakPolarHBondContact CZ3-O 3.4Å; L873-L995 HydrophobicContact CB-CD1 4.47Å; P992-L995 PolarHBondContact O-N 3.48Å; S993-L995 PolarHBondContact O-N 3.04Å; L995-S997 PolarHBondContact O-N 3.28Å
996	K	53.3	Low	53.9	Low	171 Å²	171	77.3 Å²	77.3	74%	0.743	41%	0.413	S	S	*	.			trans	-66.1	3.9	-168.8	-56.6	-161.3	178.6	-159	0	116.1	D994	D994-K996 HydrophobicContact CB-CG 4.21Å; D994-K996 WeakPolarHBondContact O-CG 3.25Å; D994-K996 PolarHBondContact O-N 3.48Å; D994-K996 WeakPolarHBondContact OD2-CE 3.37Å; D994-K996 IonicContact OD2-NZ 2.87Å; D994-K996 PolarHBondContact OD2-NZ 2.99Å
997	S	61.1	Low	56.8	Low	74 Å²	74	73.8 Å²	73.8	52%	0.517	39%	0.39	S	S	.	.	S	Bend	trans	-155.4	142.4	175.8	55.4	0	0	0	0	109.9	L995	L995-S997 PolarHBondContact O-N 3.28Å
998	P	71.1	Confident	59.7	Low	34 Å²	34	67.9 Å²	67.9	22%	0.221	36%	0.36	C	S	.	.			trans	-60.1	157.6	169.1	26.7	-34.5	0	0	0	111.6	E870 I871 W872 A1000 T1001	E870-P998 HydrophobicContact CB-CB 4Å; E870-P998 HydrophobicContact CB-CG 4.36Å; E870-P998 HydrophobicContact CG-CB 4.35Å; E870-P998 HydrophobicContact CG-CG 4.16Å; I871-P998 CarbonylContact O-C 3.54Å; I871-P998 WeakPolarHBondContact O-CB 3.28Å; W872-P998 HydrophobicContact CD2-CB 4.46Å; W872-P998 HydrophobicContact CZ2-CB 4.36Å; P998-A1000 VanDerWaalsContact C-N 3.26Å; P998-A1000 PolarHBondContact O-N 2.98Å; P998-T1001 WeakPolarHBondContact CG-OG1 3.45Å
999	L	68.8	Low	62.6	Low	69 Å²	69	62.2 Å²	62.2	36%	0.361	33%	0.333	S	S	.	.	S	Bend	trans	-61	-38.9	172.6	-177.7	69.9	0	0	0	111	I573 I631 L639 I871	I573-L999 HydrophobicContact CD1-CD2 3.7Å; I631-L999 HydrophobicContact CD1-CD2 4.15Å; L639-L999 HydrophobicContact CD2-CD2 4.25Å; I871-L999 HydrophobicContact CG2-CD2 4.3Å; I871-L999 WeakPolarHBondContact O-CB 3.41Å; I871-L999 PolarHBondContact O-N 3.32Å
1000	A	75	Confident	65.4	Low	3 Å²	3	58.4 Å²	58.4	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	151.2	174.8	0	0	0	0	0	111	N629 I871 P998 Y1002	N629-A1000 WeakPolarHBondContact ND2-CB 3.49Å; I871-A1000 HydrophobicContact CD1-CB 4.49Å; I871-A1000 PolarHBondContact N-O 2.96Å; P998-A1000 VanDerWaalsContact C-N 3.26Å; P998-A1000 PolarHBondContact O-N 2.98Å; A1000-Y1002 HydrophobicContact CB-CD2 4.42Å; A1000-Y1002 HydrophobicContact CB-CE2 3.61Å
1001	T	82.4	Confident	68.3	Low	29 Å²	29	52.2 Å²	52.2	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.5	171.4	-52.2	0	0	0	0	109.1	Q613 K614 T868 V869 E870 P998	Q613-T1001 WeakPolarHBondContact CA-O 3.48Å; K614-T1001 HydrophobicContact CB-CG2 4.45Å; K614-T1001 WeakPolarHBondContact CB-O 3.31Å; K614-T1001 HydrophobicContact CD-CG2 4.05Å; K614-T1001 PolarHBondContact N-O 3.45Å; T868-T1001 HydrophobicContact CG2-CG2 4.29Å; V869-T1001 CarbonylContact O-C 3.02Å; V869-T1001 WeakPolarHBondContact O-CA 3.47Å; E870-T1001 HydrophobicContact CG-CG2 4.04Å; P998-T1001 WeakPolarHBondContact CG-OG1 3.45Å
1002	Y	83.9	Confident	71	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.4	179.7	-62.5	-101.4	0	0	0	109.3	I575 L611 Q613 N629 T868 V869 I871 A1000	I575-Y1002 HydrophobicContact CD1-CD2 4.19Å; I575-Y1002 HydrophobicContact CD1-CE2 4.22Å; L611-Y1002 HydrophobicContact CB-CD1 3.94Å; L611-Y1002 HydrophobicContact CB-CG 4.39Å; Q613-Y1002 HydrophobicContact CB-CD1 4.39Å; Q613-Y1002 HydrophobicContact CB-CE1 4.11Å; N629-Y1002 PolarHBondContact ND2-OH 2.95Å; T868-Y1002 CarbonylContact C-O 3.5Å; T868-Y1002 VanDerWaalsContact CA-O 3.24Å; T868-Y1002 WeakPolarHBondContact CA-O 3.43Å; V869-Y1002 PolarHBondContact N-O 2.99Å; V869-Y1002 PolarHBondContact O-N 2.83Å; I871-Y1002 HydrophobicContact CD1-CD2 4.34Å; I871-Y1002 HydrophobicContact CD1-CE2 3.51Å; I871-Y1002 HydrophobicContact CG1-CD2 4.31Å; I871-Y1002 HydrophobicContact CG1-CE2 3.88Å; A1000-Y1002 HydrophobicContact CB-CD2 4.42Å; A1000-Y1002 HydrophobicContact CB-CE2 3.61Å
1003	D	84.4	Confident	73.4	Confident	25 Å²	25	47.7 Å²	47.7	13%	0.134	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.3	178.8	-66.3	-43.2	0	0	0	110.9	K614 Y861 H865 T868	K614-D1003 VanDerWaalsContact CD-OD1 3.32Å; K614-D1003 WeakPolarHBondContact CD-OD1 3.31Å; K614-D1003 WeakPolarHBondContact CE-OD1 2.99Å; K614-D1003 WeakPolarHBondContact CE-OD2 3.32Å; K614-D1003 WeakPolarHBondContact CG-OD2 3.46Å; K614-D1003 IonicContact NZ-OD1 3.16Å; K614-D1003 PolarHBondContact NZ-OD1 2.91Å; K614-D1003 IonicContact NZ-OD2 2.78Å; Y861-D1003 HydrophobicContact CE2-CB 4.48Å; Y861-D1003 VanDerWaalsContact OH-CG 3.26Å; Y861-D1003 PolarHBondContact OH-OD1 2.9Å; Y861-D1003 PolarHBondContact OH-OD2 2.87Å; H865-D1003 IonicContact NE2-OD1 2.68Å; T868-D1003 VanDerWaalsContact CG2-OD1 3.27Å; T868-D1003 WeakPolarHBondContact CG2-OD1 3.44Å
1004	I	86.3	Confident	75.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	102.7	178.7	-51.8	168	0	0	0	107.9	L577 I586 L611 I647 V866 G867 V869 I1006	L577-I1004 HydrophobicContact CD2-CG2 4.22Å; I586-I1004 HydrophobicContact CD1-CD1 3.8Å; I586-I1004 HydrophobicContact CD1-CG1 4.31Å; L611-I1004 HydrophobicContact CD1-CG1 4.32Å; I647-I1004 HydrophobicContact CD1-CD1 3.35Å; I647-I1004 HydrophobicContact CG1-CD1 4.49Å; V866-I1004 PolarHBondContact N-O 2.64Å; G867-I1004 WeakPolarHBondContact O-CA 3.41Å; G867-I1004 VanDerWaalsContact O-CB 3.31Å; G867-I1004 WeakPolarHBondContact O-CB 3.36Å; G867-I1004 PolarHBondContact O-N 2.74Å; V869-I1004 HydrophobicContact CG2-CD1 3.7Å; V869-I1004 HydrophobicContact CG2-CG1 3.98Å; I1004-I1006 HydrophobicContact CG2-CD1 4.09Å; I1004-I1006 HydrophobicContact CG2-CG1 4.11Å
1005	M	84.3	Confident	78	Confident	77 Å²	77	38.6 Å²	38.6	38%	0.379	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.3	174.6	-57.1	-158.1	-46	0	0	110.6	Y621 Y861 Y864	Y621-M1005 HydrophobicContact CD1-CE 4.39Å; Y621-M1005 HydrophobicContact CE1-CE 4.36Å; Y861-M1005 HydrophobicContact CD2-SD 4.05Å; Y861-M1005 HydrophobicContact CE2-SD 4.49Å; Y864-M1005 CarbonylContact O-C 3.53Å; Y864-M1005 VanDerWaalsContact O-CA 3.27Å; Y864-M1005 WeakPolarHBondContact O-CA 3.3Å
1006	I	86	Confident	79.7	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.015	21%	0.21	C	C	.	.			trans	-135.4	140.1	176.6	-51.8	177.9	0	0	0	107.7	L577 L579 W584 Y864 V866 I1004 I1010 V1011	L577-I1006 HydrophobicContact CD2-CD1 4.42Å; L577-I1006 HydrophobicContact CD2-CG1 4.17Å; L579-I1006 HydrophobicContact CD1-CG1 4.3Å; L579-I1006 HydrophobicContact CD1-CG2 4.02Å; L579-I1006 HydrophobicContact CD2-CD1 3.99Å; W584-I1006 HydrophobicContact CD2-CD1 4.31Å; W584-I1006 HydrophobicContact CE3-CD1 3.61Å; W584-I1006 HydrophobicContact CH2-CD1 4.14Å; W584-I1006 HydrophobicContact CH2-CG2 4.45Å; W584-I1006 HydrophobicContact CZ3-CD1 3.5Å; Y864-I1006 WeakPolarHBondContact CA-O 3.41Å; Y864-I1006 PolarHBondContact O-N 2.94Å; V866-I1006 HydrophobicContact CG2-CB 3.79Å; V866-I1006 HydrophobicContact CG2-CD1 4.35Å; V866-I1006 HydrophobicContact CG2-CG1 4.12Å; I1004-I1006 HydrophobicContact CG2-CD1 4.09Å; I1004-I1006 HydrophobicContact CG2-CG1 4.11Å; I1006-I1010 HydrophobicContact CG2-CB 4.13Å; I1006-I1010 HydrophobicContact CG2-CG2 4.17Å; I1006-V1011 HydrophobicContact CB-CG2 4.25Å; I1006-V1011 HydrophobicContact CG2-CG2 3.99Å
1007	D	84.3	Confident	80.7	Confident	40 Å²	40	36.3 Å²	36.3	21%	0.214	19%	0.193	C	C	.	.			trans	-59.7	125.6	175.5	-171.1	-38.4	0	0	0	110.9	K761 Y864 D1009 I1010 V1011	K761-D1007 IonicContact NZ-OD1 2.67Å; K761-D1007 PolarHBondContact NZ-OD1 2.89Å; K761-D1007 IonicContact NZ-OD2 3.81Å; K761-D1007 PolarHBondContact NZ-OD2 2.71Å; Y864-D1007 HydrophobicContact CD1-CB 4.25Å; Y864-D1007 HydrophobicContact CE1-CB 3.91Å; D1007-D1009 PolarHBondContact O-N 3.01Å; D1007-D1009 VanDerWaalsContact O-N 3.09Å; D1007-D1009 WeakPolarHBondContact OD1-CB 3.34Å; D1007-D1009 PolarHBondContact OD1-N 2.85Å; D1007-I1010 HydrophobicContact CB-CB 4.49Å; D1007-I1010 HydrophobicContact CB-CD1 3.9Å; D1007-I1010 HydrophobicContact CB-CG1 4.02Å; D1007-I1010 WeakPolarHBondContact O-CA 3.43Å; D1007-I1010 WeakPolarHBondContact O-CB 3.32Å; D1007-I1010 PolarHBondContact O-N 2.9Å; D1007-V1011 PolarHBondContact O-N 3.29Å
1008	P	84.5	Confident	81	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-24.3	-178.5	23.8	-34.7	0	0	0	113.7	Y754 R757 K761 I1010 V1011 S1012	Y754-P1008 HydrophobicContact CD1-CB 3.92Å; R757-P1008 HydrophobicContact CB-CB 3.79Å; R757-P1008 HydrophobicContact CB-CG 4.29Å; K761-P1008 HydrophobicContact CD-CG 4Å; P1008-I1010 VanDerWaalsContact C-N 3.33Å; P1008-V1011 PolarHBondContact O-N 2.85Å; P1008-S1012 WeakPolarHBondContact O-CB 3.48Å; P1008-S1012 PolarHBondContact O-N 2.79Å
1009	D	84.2	Confident	80.5	Confident	52 Å²	52	35.6 Å²	35.6	28%	0.278	18%	0.181	S	C	.	.	H	α-helix	trans	-67.3	-35.2	174.1	-61.6	-22.4	0	0	0	111.4	S758 K761 D1007 N1013	S758-D1009 VanDerWaalsContact CB-OD1 3.24Å; S758-D1009 WeakPolarHBondContact CB-OD1 3.5Å; S758-D1009 PolarHBondContact OG-OD1 2.93Å; K761-D1009 IonicContact NZ-OD2 2.76Å; K761-D1009 PolarHBondContact NZ-OD2 3.03Å; D1007-D1009 PolarHBondContact O-N 3.01Å; D1007-D1009 VanDerWaalsContact O-N 3.09Å; D1007-D1009 WeakPolarHBondContact OD1-CB 3.34Å; D1007-D1009 PolarHBondContact OD1-N 2.85Å; D1009-N1013 VanDerWaalsContact O-CB 3.32Å; D1009-N1013 WeakPolarHBondContact O-CB 3.37Å; D1009-N1013 VanDerWaalsContact O-CG 3.29Å; D1009-N1013 PolarHBondContact O-N 2.97Å; D1009-N1013 VanDerWaalsContact O-N 3.09Å; D1009-N1013 PolarHBondContact O-ND2 3.1Å
1010	I	84.5	Confident	79.8	Confident	72 Å²	72	39.6 Å²	39.6	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-70.2	-39.7	175.5	-61.3	174.9	0	0	0	109.8	W584 I1006 D1007 P1008 Y1014	W584-I1010 HydrophobicContact CZ2-CG2 4.04Å; I1006-I1010 HydrophobicContact CG2-CB 4.13Å; I1006-I1010 HydrophobicContact CG2-CG2 4.17Å; D1007-I1010 HydrophobicContact CB-CB 4.49Å; D1007-I1010 HydrophobicContact CB-CD1 3.9Å; D1007-I1010 HydrophobicContact CB-CG1 4.02Å; D1007-I1010 WeakPolarHBondContact O-CA 3.43Å; D1007-I1010 WeakPolarHBondContact O-CB 3.32Å; D1007-I1010 PolarHBondContact O-N 2.9Å; P1008-I1010 VanDerWaalsContact C-N 3.33Å; I1010-Y1014 WeakPolarHBondContact O-CB 3.39Å; I1010-Y1014 PolarHBondContact O-N 2.86Å
1011	V	85	Confident	78.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-50.9	177.3	-171.4	0	0	0	0	111.2	W584 P746 Y754 V866 I1006 D1007 P1008 N1013 Y1014 L1015	W584-V1011 HydrophobicContact CH2-CB 4.16Å; W584-V1011 HydrophobicContact CH2-CG1 4.14Å; W584-V1011 HydrophobicContact CH2-CG2 3.87Å; P746-V1011 HydrophobicContact CB-CG1 3.86Å; P746-V1011 HydrophobicContact CG-CG1 4.18Å; Y754-V1011 HydrophobicContact CD1-CB 3.52Å; Y754-V1011 HydrophobicContact CD1-CG1 3.56Å; Y754-V1011 HydrophobicContact CD1-CG2 3.79Å; Y754-V1011 HydrophobicContact CD2-CG1 3.72Å; Y754-V1011 HydrophobicContact CE1-CB 4.03Å; Y754-V1011 HydrophobicContact CE1-CG1 3.93Å; Y754-V1011 HydrophobicContact CE1-CG2 3.82Å; Y754-V1011 HydrophobicContact CE2-CG1 4.1Å; Y754-V1011 HydrophobicContact CG-CB 3.84Å; Y754-V1011 HydrophobicContact CG-CG1 3.45Å; Y754-V1011 VanDerWaalsContact CG-CG1 3.45Å; V866-V1011 HydrophobicContact CG2-CG2 4.11Å; I1006-V1011 HydrophobicContact CB-CG2 4.25Å; I1006-V1011 HydrophobicContact CG2-CG2 3.99Å; D1007-V1011 PolarHBondContact O-N 3.29Å; P1008-V1011 PolarHBondContact O-N 2.85Å; V1011-N1013 VanDerWaalsContact C-N 3.33Å; V1011-N1013 PolarHBondContact O-N 2.82Å; V1011-Y1014 PolarHBondContact O-N 2.73Å; V1011-L1015 HydrophobicContact CG1-CD1 4.25Å; V1011-L1015 WeakPolarHBondContact O-CG 3.39Å; V1011-L1015 PolarHBondContact O-N 3.34Å; V1011-L1015 VanDerWaalsContact O-N 3.13Å
1012	S	84.4	Confident	76.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-39.4	179.7	-169.8	0	0	0	0	111.7	S755 P1008 L1015 R1016	S755-S1012 PolarHBondContact OG-OG 3.41Å; P1008-S1012 WeakPolarHBondContact O-CB 3.48Å; P1008-S1012 PolarHBondContact O-N 2.79Å; S1012-L1015 PolarHBondContact O-N 3.49Å; S1012-R1016 VanDerWaalsContact O-CG 3.27Å; S1012-R1016 WeakPolarHBondContact O-CG 3.3Å; S1012-R1016 PolarHBondContact O-N 2.86Å; S1012-R1016 VanDerWaalsContact O-N 3.07Å; S1012-R1016 PolarHBondContact OG-NE 3.12Å; S1012-R1016 VanDerWaalsContact OG-NE 3.17Å; S1012-R1016 PolarHBondContact OG-NH2 2.82Å
1013	N	83.3	Confident	74.3	Confident	88 Å²	88	54.8 Å²	54.8	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-40.1	175.6	-77.6	-47.5	0	0	0	113.3	D1009 V1011 L1015 R1016 V1017	D1009-N1013 VanDerWaalsContact O-CB 3.32Å; D1009-N1013 WeakPolarHBondContact O-CB 3.37Å; D1009-N1013 VanDerWaalsContact O-CG 3.29Å; D1009-N1013 PolarHBondContact O-N 2.97Å; D1009-N1013 VanDerWaalsContact O-N 3.09Å; D1009-N1013 PolarHBondContact O-ND2 3.1Å; V1011-N1013 VanDerWaalsContact C-N 3.33Å; V1011-N1013 PolarHBondContact O-N 2.82Å; N1013-L1015 PolarHBondContact O-N 3.34Å; N1013-R1016 PolarHBondContact O-N 3.22Å; N1013-V1017 WeakPolarHBondContact O-CB 3.33Å; N1013-V1017 VanDerWaalsContact O-CG2 3.3Å; N1013-V1017 WeakPolarHBondContact O-CG2 3.35Å; N1013-V1017 PolarHBondContact O-N 3.17Å
1014	Y	84.5	Confident	72	Confident	18 Å²	18	60 Å²	60	7%	0.071	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-45.7	176.2	-174.9	-82.8	0	0	0	111.4	W584 E745 P746 I1010 V1011 V1017 K1018	W584-Y1014 AromaticContact CE2-CD2 3.87Å; W584-Y1014 HydrophobicContact CZ2-CD2 4.14Å; W584-Y1014 AromaticContact CZ2-CG 3.98Å; W584-Y1014 HydrophobicContact CZ2-CG 3.98Å; W584-Y1014 AromaticContact NE1-CD2 3.62Å; E745-Y1014 HydrophobicContact CB-CE1 3.98Å; P746-Y1014 HydrophobicContact CG-CD1 3.69Å; P746-Y1014 HydrophobicContact CG-CE1 4.16Å; P746-Y1014 HydrophobicContact CG-CG 4.45Å; I1010-Y1014 WeakPolarHBondContact O-CB 3.39Å; I1010-Y1014 PolarHBondContact O-N 2.86Å; V1011-Y1014 PolarHBondContact O-N 2.73Å; Y1014-V1017 PolarHBondContact O-N 2.81Å; Y1014-K1018 HydrophobicContact CE1-CD 4.43Å; Y1014-K1018 PolarHBondContact O-N 2.8Å; Y1014-K1018 VanDerWaalsContact O-N 3.07Å
1015	L	83.5	Confident	69.5	Low	8 Å²	8	66.8 Å²	66.8	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-48.9	178.3	-69.6	172.7	0	0	0	111.8	P746 E751 V1011 S1012 N1013 V1017 K1018 S1019	P746-L1015 HydrophobicContact CB-CD2 4.39Å; P746-L1015 HydrophobicContact CG-CD2 3.89Å; P746-L1015 HydrophobicContact CG-CG 4.07Å; E751-L1015 HydrophobicContact CB-CB 4.35Å; E751-L1015 HydrophobicContact CB-CD1 4.15Å; E751-L1015 HydrophobicContact CG-CB 4.16Å; V1011-L1015 HydrophobicContact CG1-CD1 4.25Å; V1011-L1015 WeakPolarHBondContact O-CG 3.39Å; V1011-L1015 PolarHBondContact O-N 3.34Å; V1011-L1015 VanDerWaalsContact O-N 3.13Å; S1012-L1015 PolarHBondContact O-N 3.49Å; N1013-L1015 PolarHBondContact O-N 3.34Å; L1015-V1017 PolarHBondContact O-N 2.89Å; L1015-K1018 PolarHBondContact O-N 2.64Å; L1015-K1018 VanDerWaalsContact O-N 3.15Å; L1015-S1019 WeakPolarHBondContact O-CB 3.46Å; L1015-S1019 PolarHBondContact O-N 3.41Å
1016	R	79	Confident	66.9	Low	102 Å²	102	70.4 Å²	70.4	39%	0.385	35%	0.353	S	S	.	.	H	α-helix	trans	-55.8	-47.6	175.5	-69.6	171.7	-152.2	-171.2	6.2	112.2	E751 S1012 N1013 K1018 S1019 F1020	E751-R1016 WeakPolarHBondContact OE1-CG 3.24Å; S1012-R1016 VanDerWaalsContact O-CG 3.27Å; S1012-R1016 WeakPolarHBondContact O-CG 3.3Å; S1012-R1016 PolarHBondContact O-N 2.86Å; S1012-R1016 VanDerWaalsContact O-N 3.07Å; S1012-R1016 PolarHBondContact OG-NE 3.12Å; S1012-R1016 VanDerWaalsContact OG-NE 3.17Å; S1012-R1016 PolarHBondContact OG-NH2 2.82Å; N1013-R1016 PolarHBondContact O-N 3.22Å; R1016-K1018 VanDerWaalsContact C-N 3.27Å; R1016-K1018 PolarHBondContact O-N 3.25Å; R1016-S1019 WeakPolarHBondContact O-CB 3.5Å; R1016-S1019 PolarHBondContact O-N 3.28Å; R1016-F1020 VanDerWaalsContact O-CD2 3.26Å; R1016-F1020 WeakPolarHBondContact O-CD2 3.45Å; R1016-F1020 PolarHBondContact O-N 2.99Å; R1016-F1020 VanDerWaalsContact O-N 3.1Å
1017	V	74.6	Confident	64.2	Low	64 Å²	64	74.6 Å²	74.6	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-64.3	-32	-179.2	170.4	0	0	0	0	112	N1013 Y1014 L1015	N1013-V1017 WeakPolarHBondContact O-CB 3.33Å; N1013-V1017 VanDerWaalsContact O-CG2 3.3Å; N1013-V1017 WeakPolarHBondContact O-CG2 3.35Å; N1013-V1017 PolarHBondContact O-N 3.17Å; Y1014-V1017 PolarHBondContact O-N 2.81Å; L1015-V1017 PolarHBondContact O-N 2.89Å
1018	K	67.8	Low	61.5	Low	63 Å²	63	79.8 Å²	79.8	27%	0.274	42%	0.416	S	S	.	.	H	α-helix	trans	-72.6	-43.4	173.1	-154.3	179.2	-177.9	-167.3	0	111.6	E745 E748 Y1014 L1015 R1016 F1020 K1021	E745-K1018 IonicContact OE1-NZ 3.67Å; E745-K1018 PolarHBondContact OE1-NZ 3.21Å; E745-K1018 IonicContact OE2-NZ 3.74Å; E745-K1018 PolarHBondContact OE2-NZ 2.84Å; E748-K1018 WeakPolarHBondContact OE1-CD 3.29Å; E748-K1018 WeakPolarHBondContact OE1-CE 3.07Å; E748-K1018 IonicContact OE1-NZ 3.86Å; E748-K1018 PolarHBondContact OE1-NZ 3.07Å; Y1014-K1018 HydrophobicContact CE1-CD 4.43Å; Y1014-K1018 PolarHBondContact O-N 2.8Å; Y1014-K1018 VanDerWaalsContact O-N 3.07Å; L1015-K1018 PolarHBondContact O-N 2.64Å; L1015-K1018 VanDerWaalsContact O-N 3.15Å; R1016-K1018 VanDerWaalsContact C-N 3.27Å; R1016-K1018 PolarHBondContact O-N 3.25Å; K1018-F1020 VanDerWaalsContact C-N 3.3Å; K1018-F1020 PolarHBondContact O-N 2.97Å; K1018-K1021 PolarHBondContact O-N 3.22Å
1019	S	59	Low	58.8	Low	30 Å²	30	82.8 Å²	82.8	21%	0.21	45%	0.447	C	S	.	.	H	α-helix	trans	-56.1	-37.3	176.7	-171.4	0	0	0	0	113.3	L1015 R1016 K1021 S1022	L1015-S1019 WeakPolarHBondContact O-CB 3.46Å; L1015-S1019 PolarHBondContact O-N 3.41Å; R1016-S1019 WeakPolarHBondContact O-CB 3.5Å; R1016-S1019 PolarHBondContact O-N 3.28Å; S1019-K1021 VanDerWaalsContact C-N 3.3Å; S1019-K1021 PolarHBondContact O-N 3.48Å; S1019-S1022 PolarHBondContact O-OG 3.38Å
1020	F	54.2	Low	56.2	Low	153 Å²	153	87.5 Å²	87.5	67%	0.671	47%	0.47	S	S	*	.	H	α-helix	trans	-71.1	-16.7	175.4	-81.8	-69.9	0	0	0	115	R1016 K1018	R1016-F1020 VanDerWaalsContact O-CD2 3.26Å; R1016-F1020 WeakPolarHBondContact O-CD2 3.45Å; R1016-F1020 PolarHBondContact O-N 2.99Å; R1016-F1020 VanDerWaalsContact O-N 3.1Å; K1018-F1020 VanDerWaalsContact C-N 3.3Å; K1018-F1020 PolarHBondContact O-N 2.97Å
1021	K	47.3	Very low	53.7	Low	136 Å²	136	89.8 Å²	89.8	59%	0.591	49%	0.49	S	S	*	.	H	α-helix	trans	-85.3	-33.7	178.3	-73	177.3	179.8	166.8	0	113.2	K1018 S1019	K1018-K1021 PolarHBondContact O-N 3.22Å; S1019-K1021 VanDerWaalsContact C-N 3.3Å; S1019-K1021 PolarHBondContact O-N 3.48Å
1022	S	40.4	Very low	51.1	Low	75 Å²	75	96.1 Å²	96.1	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-74.1	-38.2	-178	56.3	0	0	0	0	113.1	S1019 N1024 L1025	S1019-S1022 PolarHBondContact O-OG 3.38Å; S1022-N1024 PolarHBondContact O-N 2.93Å; S1022-N1024 VanDerWaalsContact O-N 3.15Å; S1022-L1025 PolarHBondContact O-N 2.96Å
1023	K	39	Very low	48.5	Very low	145 Å²	145	104.1 Å²	104.1	63%	0.63	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-17.8	-175.4	-73.7	173.4	177.8	162	0	115.1	L1025	K1023-L1025 VanDerWaalsContact C-N 3.33Å; K1023-L1025 PolarHBondContact O-N 3.28Å
1024	N	35.6	Very low	46	Very low	134 Å²	134	103.6 Å²	103.6	72%	0.717	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	1.6	-179	-75.1	-22.2	0	0	0	114.9	S1022	S1022-N1024 PolarHBondContact O-N 2.93Å; S1022-N1024 VanDerWaalsContact O-N 3.15Å
1025	L	34.6	Very low	43.3	Very low	142 Å²	142	111.8 Å²	111.8	74%	0.743	63%	0.626	S	S	*	*	S	Bend	trans	-102.4	-18.9	178.5	-79.8	160.8	0	0	0	114.4	S1022 K1023	S1022-L1025 PolarHBondContact O-N 2.96Å; K1023-L1025 VanDerWaalsContact C-N 3.33Å; K1023-L1025 PolarHBondContact O-N 3.28Å
1026	N	28.4	Very low	40.7	Very low	153 Å²	153	114.8 Å²	114.8	82%	0.818	66%	0.659	S	S	*	*	S	Bend	trans	-114	49.6	-171.3	-69	5.2	0	0	0	113.1
1027	S	30.1	Very low	38.3	Very low	92 Å²	92	120.2 Å²	120.2	64%	0.643	69%	0.686	S	S	*	*			trans	-141	30	180	60.6	0	0	0	0	116.1	G1029	S1027-G1029 PolarHBondContact O-N 2.74Å
1028	T	27.9	Very low	36	Very low	148 Å²	148	123 Å²	123	91%	0.908	71%	0.707	S	S	*	*			trans	-80.8	55.3	162.2	47.7	0	0	0	0	112
1029	G	28.1	Very low	34	Very low	63 Å²	63	124.4 Å²	124.4	65%	0.649	73%	0.731	S	S	*	*			trans	-97.4	116.7	166.5	0	0	0	0	0	109.6	S1027 P1031	S1027-G1029 PolarHBondContact O-N 2.74Å; G1029-P1031 WeakPolarHBondContact O-CD 3.49Å
1030	I	29.7	Very low	32.4	Very low	151 Å²	151	134.2 Å²	134.2	77%	0.774	76%	0.764	S	S	*	*			trans	-72.1	123.2	-175.3	-60.5	168.2	0	0	0	110.1
1031	P	32	Very low	31	Very low	120 Å²	120	134.7 Å²	134.7	78%	0.779	77%	0.772	S	S	*	*			trans	-94	105.3	172.5	34	-27	0	0	0	110.7	G1029	G1029-P1031 WeakPolarHBondContact O-CD 3.49Å
1032	N	28.8	Very low	30.1	Very low	133 Å²	133	132.7 Å²	132.7	71%	0.711	77%	0.774	S	S	*	*			trans	-101.5	140.2	164.6	-85.9	3.9	0	0	0	110.7
1033	D	30.9	Very low	29.3	Very low	168 Å²	168	133.8 Å²	133.8	90%	0.898	78%	0.782	S	S	*	*			trans	59.8	129.1	166.5	-57.5	-40.4	0	0	0	119.5
1034	G	30.9	Very low	28.7	Very low	77 Å²	77	132.6 Å²	132.6	79%	0.794	79%	0.787	S	S	*	*			trans	155.5	58.7	-179.7	0	0	0	0	0	114.8	G1036	G1034-G1036 PolarHBondContact O-N 2.73Å
1035	L	27.4	Very low	28.3	Very low	191 Å²	191	133.6 Å²	133.6	100%	1	79%	0.791	S	S	*	*			trans	-64.6	97	177.8	-97.3	158.2	0	0	0	112.1
1036	G	29.5	Very low	28	Very low	71 Å²	71	132 Å²	132	73%	0.732	79%	0.787	S	S	*	*			trans	-135.8	109.6	177.2	0	0	0	0	0	112.8	G1034 S1038	G1034-G1036 PolarHBondContact O-N 2.73Å; G1036-S1038 PolarHBondContact O-N 2.9Å
1037	K	27.5	Very low	27.9	Very low	216 Å²	216	130.1 Å²	130.1	94%	0.939	78%	0.783	S	S	*	*			trans	-76.5	119.5	178.7	-65.9	174.6	-178.6	173.1	0	111
1038	S	27.6	Very low	27.7	Very low	121 Å²	121	135.4 Å²	135.4	85%	0.846	79%	0.794	S	S	*	*			trans	-149.6	147.7	157.4	-166.1	0	0	0	0	111	G1036	G1036-S1038 PolarHBondContact O-N 2.9Å
1039	A	25.1	Very low	27.7	Very low	94 Å²	94	135.9 Å²	135.9	78%	0.777	79%	0.786	S	S	*	*			trans	-85.5	128	-169	0	0	0	0	0	112.3
1040	R	26.5	Very low	27.6	Very low	236 Å²	236	140.5 Å²	140.5	89%	0.891	79%	0.794	S	S	*	*			trans	-89.9	107.4	166.8	-86.5	-172.5	173.4	174.2	-0.1	111
1041	I	24.8	Very low	27.6	Very low	163 Å²	163	139.2 Å²	139.2	84%	0.836	79%	0.789	S	S	*	*			trans	-70.2	127.9	147.3	-61.6	170.6	0	0	0	106.4
1042	S	26.4	Very low	27.3	Very low	93 Å²	93	144.9 Å²	144.9	65%	0.65	80%	0.795	S	S	*	*			trans	-144.6	82.3	177.2	59.5	0	0	0	0	111.5	T1044	S1042-T1044 PolarHBondContact O-N 2.99Å
1043	S	24.4	Very low	27.4	Very low	99 Å²	99	143 Å²	143	69%	0.692	79%	0.793	S	S	*	*			trans	-81.2	86.8	171.2	51.1	0	0	0	0	110.7	I1045	S1043-I1045 PolarHBondContact O-N 3.08Å
1044	T	27.6	Very low	27.2	Very low	120 Å²	120	144.6 Å²	144.6	74%	0.736	80%	0.795	S	S	*	*			trans	-73.8	94.5	174.6	-52.4	0	0	0	0	110.4	S1042 V1046	S1042-T1044 PolarHBondContact O-N 2.99Å; T1044-V1046 PolarHBondContact O-N 2.94Å
1045	I	25.6	Very low	27.1	Very low	155 Å²	155	151.5 Å²	151.5	80%	0.795	80%	0.797	S	S	*	*			trans	-72.8	110.6	170.7	-63.3	177.7	0	0	0	108.3	S1043	S1043-I1045 PolarHBondContact O-N 3.08Å
1046	V	28.4	Very low	27.1	Very low	109 Å²	109	146.2 Å²	146.2	66%	0.661	79%	0.788	S	S	*	*			trans	-81.1	125.7	177.3	179.3	0	0	0	0	109.8	T1044 K1048	T1044-V1046 PolarHBondContact O-N 2.94Å; V1046-K1048 PolarHBondContact O-N 2.9Å
1047	P	27.1	Very low	26.9	Very low	112 Å²	112	151.3 Å²	151.3	73%	0.727	80%	0.797	S	S	*	*			trans	-62.7	124.6	171.3	-21	33.2	0	0	0	111.1	E1049	P1047-E1049 PolarHBondContact O-N 3.04Å; P1047-E1049 VanDerWaalsContact O-N 3.08Å
1048	K	24.9	Very low	26.9	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	79%	0.791	S	S	*	*			trans	-79.3	84.7	173.5	-78.6	-178	176.3	173.2	0	110.8	V1046 I1050	V1046-K1048 PolarHBondContact O-N 2.9Å; K1048-I1050 PolarHBondContact O-N 3.06Å
1049	E	27.7	Very low	26.9	Very low	158 Å²	158	147.6 Å²	147.6	74%	0.738	79%	0.787	S	S	*	*			trans	-66.7	128.4	160.8	-77.1	-160.2	142.3	0	0	110.7	P1047 N1051	P1047-E1049 PolarHBondContact O-N 3.04Å; P1047-E1049 VanDerWaalsContact O-N 3.08Å; E1049-N1051 PolarHBondContact O-N 2.93Å
1050	I	26.9	Very low	27.2	Very low	159 Å²	159	148.9 Å²	148.9	82%	0.815	79%	0.79	S	S	*	*			trans	-80.8	71.2	177.8	-56	176.3	0	0	0	108.9	K1048 R1052	K1048-I1050 PolarHBondContact O-N 3.06Å; I1050-R1052 PolarHBondContact O-N 2.88Å
1051	N	28.9	Very low	27.4	Very low	125 Å²	125	145.1 Å²	145.1	67%	0.668	79%	0.793	S	S	*	*			trans	-69.3	94.6	171.6	-97.9	-72	0	0	0	110	E1049 S1053	E1049-N1051 PolarHBondContact O-N 2.93Å; N1051-S1053 VanDerWaalsContact C-N 3.28Å; N1051-S1053 PolarHBondContact O-N 3.36Å
1052	R	26.7	Very low	27.7	Very low	238 Å²	238	140.4 Å²	140.4	90%	0.898	78%	0.784	S	S	*	*			trans	-62.5	89.7	166.4	-89.7	-174.9	167.9	175.5	-2.4	109.1	I1050 Q1054	I1050-R1052 PolarHBondContact O-N 2.88Å; R1052-Q1054 PolarHBondContact O-N 2.97Å; R1052-Q1054 VanDerWaalsContact O-N 3.08Å
1053	S	30	Very low	27.8	Very low	95 Å²	95	147.8 Å²	147.8	66%	0.664	80%	0.798	S	S	*	*			trans	-68.2	108.3	-176.2	50.6	0	0	0	0	111.8	N1051 R1055	N1051-S1053 VanDerWaalsContact C-N 3.28Å; N1051-S1053 PolarHBondContact O-N 3.36Å; S1053-R1055 VanDerWaalsContact C-N 3.25Å; S1053-R1055 PolarHBondContact O-N 2.86Å
1054	Q	27.1	Very low	28.1	Very low	201 Å²	201	152.7 Å²	152.7	94%	0.939	81%	0.807	S	S	*	*			trans	-66.2	93.1	148.3	-73.7	-170.9	-4.1	0	0	107.8	R1052	R1052-Q1054 PolarHBondContact O-N 2.97Å; R1052-Q1054 VanDerWaalsContact O-N 3.08Å
1055	R	28.1	Very low	28.2	Very low	222 Å²	222	154.2 Å²	154.2	84%	0.838	81%	0.81	S	S	*	*			trans	-115.2	127.9	160.9	-83.7	-171.8	171.7	-171.6	-1.4	108.7	S1053 L1057	S1053-R1055 VanDerWaalsContact C-N 3.25Å; S1053-R1055 PolarHBondContact O-N 2.86Å; R1055-L1057 PolarHBondContact O-N 3.3Å
1056	G	27.8	Very low	28.3	Very low	79 Å²	79	151.2 Å²	151.2	81%	0.814	80%	0.802	S	S	*	*			trans	-64.7	126.8	-174.9	0	0	0	0	0	112.2	N1058	G1056-N1058 PolarHBondContact O-N 3.42Å
1057	L	25.9	Very low	28.4	Very low	178 Å²	178	153.5 Å²	153.5	93%	0.932	81%	0.811	S	S	*	*			trans	-75.2	97.1	163.1	-75.9	169.4	0	0	0	108.8	R1055	R1055-L1057 PolarHBondContact O-N 3.3Å
1058	N	27.5	Very low	28.6	Very low	152 Å²	152	153 Å²	153	81%	0.813	81%	0.811	S	S	*	*			trans	-136.6	96.8	164.6	-98.2	-30.6	0	0	0	111	G1056	G1056-N1058 PolarHBondContact O-N 3.42Å
1059	S	28.2	Very low	28.9	Very low	107 Å²	107	154.2 Å²	154.2	75%	0.748	81%	0.809	S	S	*	*			trans	44.4	117.4	150.1	62.6	0	0	0	0	120.5
1060	S	30.7	Very low	29	Very low	122 Å²	122	151.5 Å²	151.5	85%	0.853	81%	0.808	S	S	*	*				-168.2	99.8	116.7	31.9	0	0	0	0	112.6
1061	V	31.2	Very low	29.3	Very low	157 Å²	157	151.1 Å²	151.1	95%	0.952	81%	0.806	S	S	*	*			trans	-89.9	120.9	158.3	175.8	0	0	0	0	107.4
1062	G	29.7	Very low	29.4	Very low	63 Å²	63	150.5 Å²	150.5	65%	0.649	80%	0.803	S	S	*	*			trans	-90.3	131.3	-168	0	0	0	0	0	115.4
1063	R	29.8	Very low	29.5	Very low	248 Å²	248	150.4 Å²	150.4	94%	0.936	80%	0.802	S	S	*	*			trans	61.7	114.1	147.4	-58.2	175.9	176.2	173.1	-1.7	119
1064	K	30.2	Very low	29.5	Very low	202 Å²	202	149 Å²	149	88%	0.878	80%	0.803	S	S	*	*				-154.6	106.8	123.5	-113.9	172.8	-175.5	179.6	0	113.4
1065	L	31	Very low	29.5	Very low	152 Å²	152	147 Å²	147	80%	0.796	80%	0.797	S	S	*	*			trans	39.9	105	141.9	-66.6	167.2	0	0	0	121.8
1066	S	26.5	Very low	29.5	Very low	92 Å²	92	144.1 Å²	144.1	64%	0.643	80%	0.796	S	S	*	*				63.6	142.9	121.8	66.5	0	0	0	0	123.7
1067	N	29.7	Very low	29.4	Very low	157 Å²	157	144.9 Å²	144.9	84%	0.84	79%	0.789	S	S	*	*			trans	73.1	127.4	162.7	-56.6	-22.3	0	0	0	115.9
1068	S	32.4	Very low	29.5	Very low	103 Å²	103	142 Å²	142	72%	0.72	78%	0.779	S	S	*	*			cis	-160.6	161.6	21.8	55	0	0	0	0	114.7
1069	R	30.1	Very low	29.5	Very low	228 Å²	228	146.1 Å²	146.1	86%	0.86	78%	0.783	S	S	*	*			trans	41.1	103.3	145.4	-72.6	179.2	179.9	174.8	-0.1	118.2
1070	S	30	Very low	29.5	Very low	101 Å²	101	146.5 Å²	146.5	71%	0.706	79%	0.786	S	S	*	*				69.6	134.7	95.9	70.9	0	0	0	0	114.9
1071	I	34.1	Very low	29.2	Very low	151 Å²	151	148.6 Å²	148.6	77%	0.774	79%	0.786	S	S	*	*			cis	-144.3	133.1	49.5	-72.5	173.7	0	0	0	113.6
1072	N	30.6	Very low	29.1	Very low	113 Å²	113	148.7 Å²	148.7	60%	0.604	78%	0.782	S	S	*	*			trans	16.1	129.2	146.1	-63.8	-38.3	0	0	0	122.6
1073	R	30.2	Very low	29	Very low	236 Å²	236	150.6 Å²	150.6	89%	0.891	79%	0.791	S	S	*	*				72.7	144.5	95.6	-58.6	170.6	-172.5	-172.2	-2.2	114.9
1074	G	28.4	Very low	29.1	Very low	65 Å²	65	145.7 Å²	145.7	67%	0.67	78%	0.783	S	S	*	*			cis	-158.6	154.2	-2.9	0	0	0	0	0	108.9
1075	I	27.4	Very low	29.2	Very low	159 Å²	159	140 Å²	140	82%	0.815	77%	0.774	S	S	*	*				69.3	107.4	72.3	-64.8	-177.7	0	0	0	113.8
1076	I	27.5	Very low	29.3	Very low	161 Å²	161	138.8 Å²	138.8	83%	0.826	77%	0.768	S	S	*	*			trans	86.7	128.1	152.7	-73	167.9	0	0	0	121.4
1077	S	26.2	Very low	29.6	Very low	95 Å²	95	144 Å²	144	66%	0.664	77%	0.773	S	S	*	*			trans	92.7	111.2	152.6	-135.3	0	0	0	0	123.1
1078	T	28.5	Very low	29.8	Very low	117 Å²	117	145 Å²	145	72%	0.718	77%	0.77	S	S	*	*			trans	54	128.9	132.2	55.6	0	0	0	0	123.6
1079	R	26.3	Very low	29.9	Very low	240 Å²	240	148.7 Å²	148.7	91%	0.906	77%	0.774	S	S	*	*			trans	27.7	134.2	130.3	-65.9	-178.6	177.4	-175.9	-0.7	118.6
1080	S	29	Very low	30.4	Very low	114 Å²	114	144 Å²	144	80%	0.797	77%	0.77	S	S	*	*			cis	-156.7	169.6	14.5	53.4	0	0	0	0	113
1081	L	25	Very low	30.8	Very low	166 Å²	166	148.5 Å²	148.5	87%	0.869	80%	0.802	S	S	*	*			trans	-78.6	124.8	169.4	-72.4	162.6	0	0	0	110.9
1082	N	28.5	Very low	30.6	Very low	160 Å²	160	148.4 Å²	148.4	86%	0.856	80%	0.803	S	S	*	*			trans	-164.9	120.9	141.5	-108.1	-29	0	0	0	110.5
1083	A	27.4	Very low	30.6	Very low	102 Å²	102	150.3 Å²	150.3	84%	0.843	81%	0.814	S	S	*	*			trans	-134.2	125.5	170.6	0	0	0	0	0	107.8
1084	N	31.6	Very low	30.7	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	81%	0.81	S	S	*	*			trans	-147.2	156.9	-173.4	-141.1	-14.8	0	0	0	109.9
1085	A	32.3	Very low	30.8	Very low	83 Å²	83	150.2 Å²	150.2	69%	0.686	82%	0.818	S	S	*	*			trans	74.1	114.9	-154.9	0	0	0	0	0	112.1
1086	L	33.1	Very low	31	Very low	127 Å²	127	149.7 Å²	149.7	67%	0.665	82%	0.818	S	S	*	*			cis	61	131.3	47.3	-59.3	92.7	0	0	0	112
1087	R	32.7	Very low	31.2	Very low	200 Å²	200	148.9 Å²	148.9	76%	0.755	82%	0.817	S	S	*	*			cis	-160.6	139.3	16.9	-134.1	168.1	-164.5	-173.2	9.2	113.6
1088	K	34.5	Very low	31.6	Very low	179 Å²	179	152.8 Å²	152.8	78%	0.778	83%	0.828	S	S	*	*			trans	51.9	133.4	143.1	-78.2	-179.9	176.4	-176.7	0	122
1089	K	34.5	Very low	31.8	Very low	181 Å²	181	155.5 Å²	155.5	79%	0.787	84%	0.837	S	S	*	*			trans	81	109.5	138	-87.7	-163.3	168.5	-162.9	0	120.3
1090	T	39.8	Very low	32.3	Very low	129 Å²	129	148.5 Å²	148.5	79%	0.791	83%	0.831	S	S	*	*				54.6	79.3	129.7	61.2	0	0	0	0	119
1091	S	39.1	Very low	32.6	Very low	196 Å²	196	151.6 Å²	151.6	100%	1.371	83%	0.834	S	S	*	*				-153.5	0	129.9	61.5	0	0	0	0	108.1

Retrieved 1,091 of 1,091 residues in 257.5 ms (Link to these results)

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