A0A2K5XMS3_MANLE Loading...

Protocadherin 18

Potential calcium-dependent cell-adhesion protein.

AlphaFold DB , UniProt , Accession A0A2K5XMS3, Species MANLE (Mandrillus leucophaeus, Drill), Gene PCDH18, Length 1,135 aa.

						>A0A2K5XMS3_MANLE|A0A2K5XMS3|PCDH18
MHQMNAKMHFRFVFALLIVSFNRDVLGKNLKYRIYEEQRVGSVIARLSEDVADVLLKLPNPSTVRFRAMQRGNSPLLVVNEDNGEISIGATIDREQLCQKNLNCSIEFDVITLPTEHLQLFHIEVEVLDINDNSPQFSRSIIPIEISESAAVGTRIPLDSAFDPDVGENSLHTYSLSTNDFFNIEVRTRTDGAKYAELIVVRELDRELKSSYELQLTASDMGVPQRSGSSILKISISDSNDNSPAFEQQSYIIQLLENSPVGTLLLDLNATDPDEGANGKIVYSFSSHVSPKIMETFKIDSERGHLTLFKQVDYEITKSYEIDVQAQDLGPNSIPAHCKIIIKVVDVNDNKPEININLMSPGKEEISYIFEGDPIDTFVALVRVQDKDSGLNGEIVCKLHGHGHFKLQKTYENNYLILTNATLDREKRSEYSLTVIAEDKGTPSLSTVKHFTVQINDINDNPPHFQRSRYEFVISENNSPGAYITTVTATDPDLGENGQVTYTILESFILGSSITTYVTIDPSNGAIYALRIFDHEEVSQITFVVEARDGGSPKQLVSNTTVVLTIIDENDNIPVVIGPALRNNTAEITIPKGAESGFHVTRIRAIDRDSGVNAELSCAIVAGNEENIFIIDPRSCDIHTNVSMDSVPYTEWELSVIIQDKGNPQLHTKVLLKCMIFEYAESVTSTAMTSVSQASLDVSMIIIISLGAICAVLLVIMVLFATRCNREKKDTRSYNCRVAESTYQHHPKRPSRQIHKGDITLVPTINGTLPIRSHHRSSPSSSPTLERGQMGSRQSHNSHQSLNSLVTISSNHVPENFSLELTHATPAVEQVSQLLSMLHQGQYQPRPSFRGNKYSRSYRYALQDMDKFSLKDSGRGDSEAGDSDYDLGRDSPIDRLLGEGFSDLFLTDGRIPAAMRLCTEECRVLGHSDQCWMPPLPSPSSDYRSNMFIPGEEFPTQPQQQHPHQSLEDDAQPADSGEKKKSFSTFGKDSPNDEDTGDTSTSSLLSEMSSVFQRLLPPSLDTYSECSEVDRSNSLERRKGPLPAKTVGYPQGVAAWAASTHFQNPTNNCGPPLGTHSSVQPSSKWLPAMEEIPENYEEDDFDNVLNHLNDGKHELMDASELVAEINKLLQDVRQS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	37.8	Very low	236 Å²	236	184.6 Å²	184.6	100%	1.163	89%	0.885	S	S	*	*				0	71.8	0	-177.1	-179	175.5	0	0	109.8
2	H	36.6	Very low	37.3	Very low	196 Å²	196	183.9 Å²	183.9	91%	0.907	88%	0.876	S	S	*	*			trans	-156.5	66.5	-177.2	-119.1	51.6	0	0	0	112.7
3	Q	35.9	Very low	37.4	Very low	196 Å²	196	176.4 Å²	176.4	92%	0.916	85%	0.849	S	S	*	*			trans	-145.5	27.5	167.8	-136.3	175.4	19	0	0	113.8
4	M	37.8	Very low	37.3	Very low	185 Å²	185	179.3 Å²	179.3	91%	0.911	86%	0.856	S	S	*	*			trans	-117.6	76.6	167.9	-74.1	-174.7	64.8	0	0	110
5	N	39.1	Very low	37.2	Very low	142 Å²	142	172.3 Å²	172.3	76%	0.759	84%	0.84	S	S	*	*			trans	-157.1	5.3	159.9	-113.9	-18.9	0	0	0	116.1	K7	N5-K7 PolarHBondContact O-N 3.14Å
6	A	45.3	Very low	36.9	Very low	102 Å²	102	172.3 Å²	172.3	84%	0.843	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	59	176.3	0	0	0	0	0	112.8
7	K	36.4	Very low	36.7	Very low	210 Å²	210	171.5 Å²	171.5	91%	0.913	84%	0.843	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.4	18.8	169.9	-114.5	157.6	-170.4	175.1	0	119.4	N5	N5-K7 PolarHBondContact O-N 3.14Å
8	M	34.6	Very low	36.6	Very low	145 Å²	145	170.6 Å²	170.6	71%	0.714	84%	0.84	S	S	*	*	S	Bend	trans	-135.8	26.9	-169.8	-143.8	179.7	70.6	0	0	119.8
9	H	37.7	Very low	36.6	Very low	174 Å²	174	169.4 Å²	169.4	81%	0.806	84%	0.843	S	S	*	*	S	Bend	trans	-127	4.3	174.2	-98.3	-81	0	0	0	117.5	R11	H9-R11 PolarHBondContact O-N 3.32Å
10	F	37.3	Very low	36.2	Very low	208 Å²	208	165.4 Å²	165.4	91%	0.912	83%	0.832	S	S	*	*	S	Bend	trans	-84.7	-0.4	-178.3	-156.6	-100.8	0	0	0	115.1
11	R	34.6	Very low	35.9	Very low	237 Å²	237	166.1 Å²	166.1	89%	0.894	83%	0.83	S	S	*	*	S	Bend	trans	-143.7	14.4	-172	-76.1	-163.6	170.9	-176.8	-2.7	116.5	H9	H9-R11 PolarHBondContact O-N 3.32Å
12	F	32.1	Very low	35.3	Very low	176 Å²	176	161.6 Å²	161.6	77%	0.772	81%	0.811	S	S	*	*	S	Bend	trans	-91.8	110.1	173.4	-129.9	-106.1	0	0	0	110.7
13	V	39.3	Very low	35.2	Very low	86 Å²	86	161.5 Å²	161.5	52%	0.521	80%	0.802	S	S	.	*			trans	58.6	99.5	147.3	178	0	0	0	0	115.2	A15	V13-A15 VanDerWaalsContact C-N 3.28Å; V13-A15 HydrophobicContact CG1-CB 3.81Å; V13-A15 VanDerWaalsContact CG1-N 3.33Å
14	F	36.1	Very low	35.1	Very low	217 Å²	217	159.6 Å²	159.6	95%	0.952	80%	0.799	S	S	*	*			cis	60.2	9.8	14.1	-139.1	-91.7	0	0	0	117.1
15	A	34.8	Very low	35.3	Very low	74 Å²	74	155.1 Å²	155.1	61%	0.612	78%	0.782	S	S	*	*			trans	-145.2	47.1	169.2	0	0	0	0	0	112.5	V13	V13-A15 VanDerWaalsContact C-N 3.28Å; V13-A15 HydrophobicContact CG1-CB 3.81Å; V13-A15 VanDerWaalsContact CG1-N 3.33Å
16	L	32.6	Very low	35.9	Very low	172 Å²	172	154.6 Å²	154.6	90%	0.901	78%	0.778	S	S	*	*			trans	-135.2	21.8	165.7	-109.6	163	0	0	0	112.4
17	L	33	Very low	36.4	Very low	159 Å²	159	152.2 Å²	152.2	83%	0.832	76%	0.763	S	S	*	*			trans	-91.6	150.3	155.6	-89.2	163.1	0	0	0	108.3
18	I	36	Very low	38.1	Very low	155 Å²	155	145.2 Å²	145.2	80%	0.795	73%	0.733	S	S	*	*			trans	72.4	58.2	-177.6	-36.7	174.9	0	0	0	114.7
19	V	35.6	Very low	40.2	Very low	149 Å²	149	143.7 Å²	143.7	90%	0.903	73%	0.728	S	S	*	*				-133.1	90.6	122.4	-176	0	0	0	0	108.4
20	S	29.2	Very low	42.3	Very low	88 Å²	88	136.4 Å²	136.4	62%	0.615	70%	0.695	S	S	*	*			trans	-96.9	121	167.9	52.9	0	0	0	0	109.2
21	F	29.3	Very low	44.7	Very low	181 Å²	181	133 Å²	133	79%	0.794	68%	0.68	S	S	*	*				170	139.2	123.1	-97.9	-70.1	0	0	0	112.5
22	N	28.5	Very low	47.2	Very low	141 Å²	141	123.1 Å²	123.1	75%	0.754	64%	0.642	S	S	*	*	S	Bend	trans	68.8	75	158.8	-54.6	-29.5	0	0	0	119.4
23	R	33.7	Very low	49.8	Very low	194 Å²	194	122.5 Å²	122.5	73%	0.732	64%	0.635	S	S	*	*				176.6	139.7	99.4	-96.8	179.8	171.7	-169.3	-2.9	111.2	E116	R23-E116 PolarHBondContact NH1-O 3.35Å
24	D	33.8	Very low	52.2	Low	156 Å²	156	118.7 Å²	118.7	83%	0.834	61%	0.611	S	S	*	*			trans	-72.9	128.1	172.1	-57.8	-73.1	0	0	0	111
25	V	42.2	Very low	54.6	Low	92 Å²	92	114.5 Å²	114.5	56%	0.558	59%	0.59	S	S	*	*			trans	-115.3	98.3	165.3	-179.4	0	0	0	0	107.1	G27	V25-G27 PolarHBondContact O-N 3.28Å
26	L	51.7	Low	57.1	Low	131 Å²	131	111.1 Å²	111.1	69%	0.686	56%	0.562	S	S	*	*			trans	-80.2	109.8	172.1	-119	76.2	0	0	0	108.8
27	G	56.7	Low	59.7	Low	51 Å²	51	107.1 Å²	107.1	53%	0.526	54%	0.538	S	S	.	.			trans	-76.2	140	165.4	0	0	0	0	0	110.9	V25 L120	V25-G27 PolarHBondContact O-N 3.28Å; G27-L120 WeakPolarHBondContact CA-O 3.47Å
28	K	71.4	Confident	62.2	Low	63 Å²	63	102.3 Å²	102.3	27%	0.274	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.8	174.9	-170.2	-174.9	-177.4	-171.8	0	108	L30 D50 V51 D53 V54 L120 F121 H122	K28-L30 HydrophobicContact CD-CD2 4.41Å; K28-L30 HydrophobicContact CG-CD1 4.41Å; K28-D50 PolarHBondContact NZ-O 2.75Å; K28-V51 HydrophobicContact CD-CG1 3.97Å; K28-V51 HydrophobicContact CD-CG2 4.39Å; K28-D53 IonicContact NZ-OD1 3.77Å; K28-D53 PolarHBondContact NZ-OD1 3.47Å; K28-D53 IonicContact NZ-OD2 3.13Å; K28-V54 HydrophobicContact CD-CG2 4.04Å; K28-L120 PolarHBondContact N-O 3.37Å; K28-F121 HydrophobicContact CB-CD1 4.12Å; K28-F121 HydrophobicContact CB-CE1 4.46Å; K28-F121 WeakPolarHBondContact O-CA 3.31Å; K28-H122 PolarHBondContact O-N 2.83Å
29	N	79.1	Confident	64.5	Low	114 Å²	114	105 Å²	105	61%	0.61	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	114.4	-179	-70.1	30.9	0	0	0	110.4	H122	N29-H122 CarbonylContact C-O 3.52Å; N29-H122 WeakPolarHBondContact CA-O 3.08Å
30	L	82.4	Confident	66.9	Low	21 Å²	21	101.9 Å²	101.9	11%	0.11	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.9	168.5	73.2	-39.8	0	0	0	111.2	K28 Y32 L47 D50 V51 F121 H122 E124	K28-L30 HydrophobicContact CD-CD2 4.41Å; K28-L30 HydrophobicContact CG-CD1 4.41Å; L30-Y32 HydrophobicContact CB-CE2 4.34Å; L30-Y32 HydrophobicContact CG-CE2 4.31Å; L30-L47 HydrophobicContact CD1-CD1 3.99Å; L30-L47 HydrophobicContact CG-CD1 4.39Å; L30-D50 HydrophobicContact CD2-CB 4.11Å; L30-V51 HydrophobicContact CD1-CG2 4.04Å; L30-V51 HydrophobicContact CD2-CG2 3.99Å; L30-F121 HydrophobicContact CD1-CB 4.27Å; L30-H122 PolarHBondContact N-O 3.32Å; L30-E124 PolarHBondContact O-N 2.72Å
31	K	85.9	Confident	69.3	Low	137 Å²	137	100 Å²	100	60%	0.596	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.2	161.7	-82.4	177.3	178.6	-89	0	109.4	E124	K31-E124 WeakPolarHBondContact CA-O 3.15Å; K31-E124 WeakPolarHBondContact CE-OE2 3.28Å; K31-E124 HydrophobicContact CG-CB 4.23Å; K31-E124 IonicContact NZ-OE1 3.71Å; K31-E124 PolarHBondContact NZ-OE1 2.71Å; K31-E124 IonicContact NZ-OE2 2.75Å; K31-E124 PolarHBondContact NZ-OE2 3.44Å
32	Y	86.9	Confident	72	Confident	29 Å²	29	93.2 Å²	93.2	11%	0.114	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	163.5	176.2	-58	-68.1	0	0	0	110.8	L30 I44 A45 D50 I86 I123 E124 E126	L30-Y32 HydrophobicContact CB-CE2 4.34Å; L30-Y32 HydrophobicContact CG-CE2 4.31Å; Y32-I44 HydrophobicContact CG-CG2 4.44Å; Y32-A45 HydrophobicContact CD1-CB 3.55Å; Y32-A45 HydrophobicContact CD2-CB 4.03Å; Y32-A45 HydrophobicContact CE1-CB 3.25Å; Y32-A45 HydrophobicContact CE2-CB 3.78Å; Y32-A45 HydrophobicContact CG-CB 3.91Å; Y32-D50 WeakPolarHBondContact CE1-OD2 3.48Å; Y32-D50 PolarHBondContact OH-OD2 2.87Å; Y32-I86 HydrophobicContact CD2-CD1 4.39Å; Y32-I86 HydrophobicContact CE2-CD1 3.87Å; Y32-I123 HydrophobicContact CD2-CG2 3.62Å; Y32-I123 HydrophobicContact CE2-CG2 3.76Å; Y32-E124 PolarHBondContact N-O 2.89Å; Y32-E126 PolarHBondContact O-N 2.94Å
33	R	87.2	Confident	74.7	Confident	162 Å²	162	90.1 Å²	90.1	61%	0.611	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	135.2	-180	-78.8	171.4	173.1	-152.6	-18.6	110.1	E126 L128	R33-E126 WeakPolarHBondContact CA-O 3.08Å; R33-E126 HydrophobicContact CG-CB 3.98Å; R33-E126 HydrophobicContact CG-CG 4.35Å; R33-E126 IonicContact CZ-OE1 3.75Å; R33-E126 IonicContact CZ-OE2 2.87Å; R33-E126 IonicContact NE-OE1 3.21Å; R33-E126 IonicContact NE-OE2 2.79Å; R33-E126 PolarHBondContact NE-OE2 3.16Å; R33-E126 IonicContact NH2-OE1 2.71Å; R33-E126 PolarHBondContact NH2-OE1 2.96Å; R33-E126 IonicContact NH2-OE2 3.94Å; R33-E126 PolarHBondContact NH2-OE2 2.93Å; R33-L128 HydrophobicContact CB-CD1 4.21Å
34	I	90.1	Very high	77.1	Confident	6 Å²	6	82.4 Å²	82.4	3%	0.031	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.5	170.8	60.7	-179.7	0	0	0	109.3	I44 I92 V125 E126 V127 L128	I34-I44 HydrophobicContact CD1-CD1 4.34Å; I34-I44 HydrophobicContact CG2-CB 4.13Å; I34-I44 HydrophobicContact CG2-CD1 3.64Å; I34-I44 HydrophobicContact CG2-CG1 3.6Å; I34-I44 HydrophobicContact CG2-CG2 3.59Å; I34-I92 HydrophobicContact CD1-CD1 3.55Å; I34-V125 HydrophobicContact CD1-CG1 3.88Å; I34-V125 HydrophobicContact CG1-CG1 3.9Å; I34-V125 HydrophobicContact CG2-CG1 4.08Å; I34-E126 PolarHBondContact N-O 2.63Å; I34-V127 HydrophobicContact CD1-CG2 4.32Å; I34-V127 HydrophobicContact CG1-CG2 4.35Å; I34-L128 VanDerWaalsContact O-CB 3.27Å; I34-L128 WeakPolarHBondContact O-CB 3.46Å; I34-L128 WeakPolarHBondContact O-CG 3.25Å; I34-L128 PolarHBondContact O-N 3.31Å
35	Y	86.1	Confident	79.5	Confident	129 Å²	129	75.4 Å²	75.4	51%	0.506	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	153.3	157	-63.7	-84.1	0	0	0	108.6	Q38 L128 I130	Y35-Q38 VanDerWaalsContact O-CG 3.27Å; Y35-Q38 WeakPolarHBondContact O-CG 3.21Å; Y35-L128 WeakPolarHBondContact CA-O 3.48Å; Y35-L128 HydrophobicContact CD1-CB 3.66Å; Y35-L128 HydrophobicContact CD1-CD1 4.36Å; Y35-L128 HydrophobicContact CE1-CB 3.87Å; Y35-L128 HydrophobicContact CE1-CD1 3.96Å; Y35-L128 HydrophobicContact CE2-CD1 4.42Å; Y35-L128 HydrophobicContact CG-CB 4.35Å; Y35-I130 HydrophobicContact CD1-CG2 3.85Å; Y35-I130 HydrophobicContact CG-CG2 4.34Å
36	E	88	Confident	81.5	Confident	4 Å²	4	76 Å²	76	2%	0.019	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	173.6	168.7	73.8	-174.9	111.5	0	0	112.8	Q38 I92 R94 V127 L128 D129 I130	E36-Q38 PolarHBondContact O-N 2.99Å; E36-I92 WeakPolarHBondContact CB-O 3.37Å; E36-R94 HydrophobicContact CB-CB 4.33Å; E36-R94 VanDerWaalsContact OE1-CB 3.31Å; E36-R94 WeakPolarHBondContact OE1-CB 3.45Å; E36-R94 WeakPolarHBondContact OE1-CD 3.2Å; E36-R94 IonicContact OE1-NE 3.54Å; E36-R94 PolarHBondContact OE1-NE 3.34Å; E36-R94 WeakPolarHBondContact OE2-CA 3.27Å; E36-R94 WeakPolarHBondContact OE2-CB 3.15Å; E36-R94 PolarHBondContact OE2-N 3.21Å; E36-V127 HydrophobicContact CB-CG1 3.91Å; E36-L128 PolarHBondContact N-O 3.41Å; E36-D129 VanDerWaalsContact OE1-CA 3.27Å; E36-D129 WeakPolarHBondContact OE1-CA 3.33Å; E36-I130 HydrophobicContact CG-CB 4.38Å; E36-I130 HydrophobicContact CG-CD1 3.81Å; E36-I130 HydrophobicContact CG-CG1 3.58Å; E36-I130 HydrophobicContact CG-CG2 4.21Å; E36-I130 PolarHBondContact OE1-N 3.39Å
37	E	86.1	Confident	82.9	Confident	87 Å²	87	69.8 Å²	69.8	41%	0.407	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	18	-173.8	-76.3	-58.9	116.6	0	0	116	T91 I92 I130	E37-T91 WeakPolarHBondContact OE1-CB 3.2Å; E37-I92 PolarHBondContact N-O 2.87Å; E37-I130 HydrophobicContact CB-CD1 4.01Å
38	Q	85.8	Confident	83.7	Confident	58 Å²	58	69.1 Å²	69.1	27%	0.271	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-66.3	139.5	170.2	-78	-171.6	17.3	0	0	110.5	Y35 E36 V40 I88	Y35-Q38 VanDerWaalsContact O-CG 3.27Å; Y35-Q38 WeakPolarHBondContact O-CG 3.21Å; E36-Q38 PolarHBondContact O-N 2.99Å; Q38-V40 PolarHBondContact O-N 3.25Å; Q38-I88 HydrophobicContact CB-CD1 3.38Å; Q38-I88 HydrophobicContact CG-CD1 4.48Å
39	R	84.7	Confident	83.9	Confident	212 Å²	212	71.8 Å²	71.8	80%	0.8	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-56.7	135.1	-175.1	-62.5	-179.6	-178.2	178.8	0.9	111.6	G41 S42	R39-G41 PolarHBondContact O-N 2.87Å; R39-S42 WeakPolarHBondContact O-CB 3.29Å; R39-S42 PolarHBondContact O-N 3.19Å; R39-S42 PolarHBondContact O-OG 3.02Å
40	V	85.7	Confident	83.9	Confident	84 Å²	84	69.6 Å²	69.6	51%	0.509	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	133.5	171.2	-177.3	0	0	0	0	110	Q38 I88 T91	Q38-V40 PolarHBondContact O-N 3.25Å; V40-I88 WeakPolarHBondContact CG1-O 3.37Å; V40-T91 HydrophobicContact CG2-CG2 4.16Å
41	G	80.3	Confident	83.5	Confident	49 Å²	49	68.6 Å²	68.6	51%	0.505	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-3.1	-171.5	0	0	0	0	0	115.3	R39 V43 I88	R39-G41 PolarHBondContact O-N 2.87Å; G41-V43 PolarHBondContact O-N 2.79Å; G41-I88 PolarHBondContact N-O 3.34Å
42	S	85.6	Confident	82.7	Confident	37 Å²	37	63.8 Å²	63.8	26%	0.259	32%	0.315	S	S	.	.			trans	-60.4	132	170.1	-62.1	0	0	0	0	110.5	R39 S87 I88	R39-S42 WeakPolarHBondContact O-CB 3.29Å; R39-S42 PolarHBondContact O-N 3.19Å; R39-S42 PolarHBondContact O-OG 3.02Å; S42-S87 CarbonylContact O-C 3.54Å; S42-S87 WeakPolarHBondContact O-CA 3.44Å; S42-I88 PolarHBondContact O-N 2.76Å
43	V	85	Confident	81.7	Confident	77 Å²	77	66.2 Å²	66.2	47%	0.467	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.1	179.2	176.9	0	0	0	0	109.8	G41 E85	G41-V43 PolarHBondContact O-N 2.79Å; V43-E85 HydrophobicContact CB-CG 4.36Å; V43-E85 HydrophobicContact CG1-CG 3.57Å; V43-E85 HydrophobicContact CG2-CG 3.86Å
44	I	84.7	Confident	80.8	Confident	31 Å²	31	59.3 Å²	59.3	16%	0.159	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-47.7	-179.6	-56.5	-179.5	0	0	0	110.4	Y32 I34 L77 I86 I88	Y32-I44 HydrophobicContact CG-CG2 4.44Å; I34-I44 HydrophobicContact CD1-CD1 4.34Å; I34-I44 HydrophobicContact CG2-CB 4.13Å; I34-I44 HydrophobicContact CG2-CD1 3.64Å; I34-I44 HydrophobicContact CG2-CG1 3.6Å; I34-I44 HydrophobicContact CG2-CG2 3.59Å; I44-L77 HydrophobicContact CD1-CD1 4.43Å; I44-L77 HydrophobicContact CD1-CD2 3.36Å; I44-L77 HydrophobicContact CD1-CG 4.47Å; I44-I86 HydrophobicContact CB-CB 4.46Å; I44-I86 HydrophobicContact CB-CG2 4.43Å; I44-I86 HydrophobicContact CD1-CG2 4.33Å; I44-I86 PolarHBondContact N-O 3.04Å; I44-I88 HydrophobicContact CD1-CG1 3.94Å; I44-I88 HydrophobicContact CG1-CG1 4.14Å
45	A	83.2	Confident	79.7	Confident	10 Å²	10	59.8 Å²	59.8	8%	0.083	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	168.2	-170.6	0	0	0	0	0	111.5	Y32 I86	Y32-A45 HydrophobicContact CD1-CB 3.55Å; Y32-A45 HydrophobicContact CD2-CB 4.03Å; Y32-A45 HydrophobicContact CE1-CB 3.25Å; Y32-A45 HydrophobicContact CE2-CB 3.78Å; Y32-A45 HydrophobicContact CG-CB 3.91Å; A45-I86 HydrophobicContact CB-CB 4.49Å; A45-I86 HydrophobicContact CB-CD1 4.28Å; A45-I86 HydrophobicContact CB-CG1 4.5Å; A45-I86 PolarHBondContact O-N 2.95Å
46	R	84.4	Confident	78.6	Confident	104 Å²	104	60 Å²	60	39%	0.392	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	96.7	176.1	-74.1	-175.1	173.7	173.5	-0.1	110.1	S48 E49 D50 E85	R46-S48 PolarHBondContact O-N 3.3Å; R46-S48 VanDerWaalsContact O-N 3.08Å; R46-E49 HydrophobicContact CB-CB 4.07Å; R46-E49 HydrophobicContact CB-CG 3.97Å; R46-E49 VanDerWaalsContact CD-CD 3.48Å; R46-E49 WeakPolarHBondContact CD-OE1 3.46Å; R46-E49 IonicContact CZ-OE1 3.32Å; R46-E49 IonicContact NE-OE1 2.72Å; R46-E49 IonicContact NH1-OE1 3.02Å; R46-E49 PolarHBondContact NH1-OE1 3.43Å; R46-E49 WeakPolarHBondContact O-CA 2.97Å; R46-E49 PolarHBondContact O-N 2.62Å; R46-D50 PolarHBondContact N-OD2 2.76Å; R46-D50 PolarHBondContact O-N 2.79Å; R46-E85 HydrophobicContact CG-CB 4.33Å; R46-E85 HydrophobicContact CG-CG 4.08Å; R46-E85 IonicContact CZ-OE2 3.8Å; R46-E85 IonicContact NE-OE2 3.46Å; R46-E85 PolarHBondContact NE-OE2 2.91Å; R46-E85 IonicContact NH2-OE2 2.93Å; R46-E85 PolarHBondContact NH2-OE2 3.24Å
47	L	80.9	Confident	77.3	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-24.4	-175.3	-163.5	64	0	0	0	113.1	L30 V51 F66 G84 V110 F121 I123	L30-L47 HydrophobicContact CD1-CD1 3.99Å; L30-L47 HydrophobicContact CG-CD1 4.39Å; L47-V51 HydrophobicContact CD1-CG2 3.75Å; L47-V51 HydrophobicContact CG-CG2 4.25Å; L47-V51 VanDerWaalsContact O-CB 3.26Å; L47-V51 WeakPolarHBondContact O-CB 3.36Å; L47-V51 VanDerWaalsContact O-CG2 3.3Å; L47-V51 WeakPolarHBondContact O-CG2 3.2Å; L47-V51 PolarHBondContact O-N 3.04Å; L47-F66 HydrophobicContact CB-CE1 4.45Å; L47-F66 HydrophobicContact CD2-CD1 3.77Å; L47-F66 HydrophobicContact CD2-CE1 4.18Å; L47-F66 HydrophobicContact CG-CD1 4.24Å; L47-F66 HydrophobicContact CG-CE1 4.15Å; L47-G84 VanDerWaalsContact CB-O 3.23Å; L47-G84 WeakPolarHBondContact CB-O 3.39Å; L47-G84 PolarHBondContact N-O 2.81Å; L47-V110 HydrophobicContact CD2-CB 3.8Å; L47-V110 HydrophobicContact CD2-CG1 3.53Å; L47-V110 HydrophobicContact CD2-CG2 4.18Å; L47-F121 HydrophobicContact CD1-CB 4.26Å; L47-F121 HydrophobicContact CD1-CD2 4.3Å; L47-F121 HydrophobicContact CD1-CG 4.36Å; L47-F121 HydrophobicContact CD2-CB 4.49Å; L47-F121 HydrophobicContact CD2-CD2 3.85Å; L47-F121 HydrophobicContact CG-CD2 4.1Å; L47-I123 HydrophobicContact CD1-CD1 3.82Å; L47-I123 HydrophobicContact CD2-CD1 3.91Å
48	S	73.6	Confident	76.1	Confident	38 Å²	38	64 Å²	64	27%	0.266	33%	0.334	S	S	.	.	H	α-helix	trans	-72.5	-31.4	172.1	55.4	0	0	0	0	114	R46 N83	R46-S48 PolarHBondContact O-N 3.3Å; R46-S48 VanDerWaalsContact O-N 3.08Å; S48-N83 WeakPolarHBondContact CB-O 3.36Å; S48-N83 PolarHBondContact OG-O 2.85Å
49	E	77.1	Confident	74.7	Confident	119 Å²	119	65.8 Å²	65.8	56%	0.556	35%	0.351	S	S	*	.	H	α-helix	trans	-83.7	-49.5	176.9	-60.3	-178.1	-159.8	0	0	109.7	R46 V51 A52	R46-E49 HydrophobicContact CB-CB 4.07Å; R46-E49 HydrophobicContact CB-CG 3.97Å; R46-E49 VanDerWaalsContact CD-CD 3.48Å; R46-E49 WeakPolarHBondContact CD-OE1 3.46Å; R46-E49 IonicContact CZ-OE1 3.32Å; R46-E49 IonicContact NE-OE1 2.72Å; R46-E49 IonicContact NH1-OE1 3.02Å; R46-E49 PolarHBondContact NH1-OE1 3.43Å; R46-E49 WeakPolarHBondContact O-CA 2.97Å; R46-E49 PolarHBondContact O-N 2.62Å; E49-V51 PolarHBondContact O-N 3.41Å; E49-A52 WeakPolarHBondContact O-CB 2.98Å; E49-A52 PolarHBondContact O-N 3.39Å
50	D	77.9	Confident	73.5	Confident	67 Å²	67	60.3 Å²	60.3	36%	0.358	34%	0.338	S	S	.	.	H	α-helix	trans	-66.1	-18.1	-177.9	-63.4	-43.4	0	0	0	114.5	K28 L30 Y32 R46	K28-D50 PolarHBondContact NZ-O 2.75Å; L30-D50 HydrophobicContact CD2-CB 4.11Å; Y32-D50 WeakPolarHBondContact CE1-OD2 3.48Å; Y32-D50 PolarHBondContact OH-OD2 2.87Å; R46-D50 PolarHBondContact N-OD2 2.76Å; R46-D50 PolarHBondContact O-N 2.79Å
51	V	74.8	Confident	72.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	15.9	-179	-161.2	0	0	0	0	112.3	K28 L30 L47 E49 D53 V54 L55 F121	K28-V51 HydrophobicContact CD-CG1 3.97Å; K28-V51 HydrophobicContact CD-CG2 4.39Å; L30-V51 HydrophobicContact CD1-CG2 4.04Å; L30-V51 HydrophobicContact CD2-CG2 3.99Å; L47-V51 HydrophobicContact CD1-CG2 3.75Å; L47-V51 HydrophobicContact CG-CG2 4.25Å; L47-V51 VanDerWaalsContact O-CB 3.26Å; L47-V51 WeakPolarHBondContact O-CB 3.36Å; L47-V51 VanDerWaalsContact O-CG2 3.3Å; L47-V51 WeakPolarHBondContact O-CG2 3.2Å; L47-V51 PolarHBondContact O-N 3.04Å; E49-V51 PolarHBondContact O-N 3.41Å; V51-D53 PolarHBondContact O-N 2.81Å; V51-V54 HydrophobicContact CG1-CB 3.8Å; V51-V54 HydrophobicContact CG1-CG2 3.66Å; V51-V54 PolarHBondContact O-N 2.98Å; V51-L55 HydrophobicContact CB-CD1 4.47Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 2.93Å; V51-F121 HydrophobicContact CB-CZ 4.38Å; V51-F121 HydrophobicContact CG1-CD1 4.21Å; V51-F121 HydrophobicContact CG1-CE1 3.5Å; V51-F121 HydrophobicContact CG1-CE2 4.38Å; V51-F121 HydrophobicContact CG1-CZ 3.58Å
52	A	68.1	Low	71.2	Confident	37 Å²	37	62.6 Å²	62.6	31%	0.306	35%	0.348	S	S	.	.	H	α-helix	trans	-51.7	-32.3	175.4	0	0	0	0	0	112.9	E49 V54 L55 L56	E49-A52 WeakPolarHBondContact O-CB 2.98Å; E49-A52 PolarHBondContact O-N 3.39Å; A52-V54 VanDerWaalsContact C-N 3.29Å; A52-V54 PolarHBondContact O-N 3.01Å; A52-L55 PolarHBondContact O-N 2.85Å; A52-L56 VanDerWaalsContact O-CB 3.23Å; A52-L56 WeakPolarHBondContact O-CB 3.45Å; A52-L56 WeakPolarHBondContact O-CD1 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.23Å; A52-L56 PolarHBondContact O-N 3.08Å
53	D	66.3	Low	70.2	Confident	80 Å²	80	64.7 Å²	64.7	43%	0.428	36%	0.36	S	S	.	.	H	α-helix	trans	-67.1	-22.1	178.3	77	-65.9	0	0	0	114.8	K28 V51 K57	K28-D53 IonicContact NZ-OD1 3.77Å; K28-D53 PolarHBondContact NZ-OD1 3.47Å; K28-D53 IonicContact NZ-OD2 3.13Å; V51-D53 PolarHBondContact O-N 2.81Å; D53-K57 VanDerWaalsContact O-CE 3.23Å; D53-K57 WeakPolarHBondContact O-CE 3.21Å; D53-K57 PolarHBondContact O-NZ 2.81Å; D53-K57 IonicContact OD2-NZ 3.94Å
54	V	69.1	Low	69.5	Low	17 Å²	17	61.9 Å²	61.9	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-103.5	-28.5	176.3	-155.3	0	0	0	0	111.1	K28 V51 A52 K57 Q119	K28-V54 HydrophobicContact CD-CG2 4.04Å; V51-V54 HydrophobicContact CG1-CB 3.8Å; V51-V54 HydrophobicContact CG1-CG2 3.66Å; V51-V54 PolarHBondContact O-N 2.98Å; A52-V54 VanDerWaalsContact C-N 3.29Å; A52-V54 PolarHBondContact O-N 3.01Å; V54-K57 PolarHBondContact O-N 2.89Å; V54-Q119 VanDerWaalsContact CG1-OE1 3.31Å; V54-Q119 PolarHBondContact O-NE2 2.92Å
55	L	66.2	Low	69	Low	15 Å²	15	66.4 Å²	66.4	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-69.9	-38.7	173.2	-64.5	167.1	0	0	0	112.1	V51 A52 K57 L58 V64 F66 T112	V51-L55 HydrophobicContact CB-CD1 4.47Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 2.93Å; A52-L55 PolarHBondContact O-N 2.85Å; L55-K57 PolarHBondContact O-N 2.92Å; L55-K57 VanDerWaalsContact O-N 3.12Å; L55-L58 HydrophobicContact CD2-CD1 4.27Å; L55-L58 WeakPolarHBondContact O-CB 3.26Å; L55-L58 PolarHBondContact O-N 2.86Å; L55-V64 HydrophobicContact CD2-CB 4.46Å; L55-V64 HydrophobicContact CD2-CG1 3.96Å; L55-V64 HydrophobicContact CD2-CG2 4.43Å; L55-F66 HydrophobicContact CD1-CE1 4.48Å; L55-F66 HydrophobicContact CD1-CZ 3.92Å; L55-F66 HydrophobicContact CD2-CE1 4.5Å; L55-F66 HydrophobicContact CD2-CZ 4.32Å; L55-T112 HydrophobicContact CD2-CG2 4.5Å
56	L	62.4	Low	68.9	Low	134 Å²	134	66.2 Å²	66.2	70%	0.702	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-10.5	174.6	-76	168.7	0	0	0	114.1	A52	A52-L56 VanDerWaalsContact O-CB 3.23Å; A52-L56 WeakPolarHBondContact O-CB 3.45Å; A52-L56 WeakPolarHBondContact O-CD1 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.23Å; A52-L56 PolarHBondContact O-N 3.08Å
57	K	60.6	Low	68.8	Low	151 Å²	151	66.8 Å²	66.8	66%	0.657	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.7	174	-62.3	172.9	-177.5	124	0	112.7	D53 V54 L55	D53-K57 VanDerWaalsContact O-CE 3.23Å; D53-K57 WeakPolarHBondContact O-CE 3.21Å; D53-K57 PolarHBondContact O-NZ 2.81Å; D53-K57 IonicContact OD2-NZ 3.94Å; V54-K57 PolarHBondContact O-N 2.89Å; L55-K57 PolarHBondContact O-N 2.92Å; L55-K57 VanDerWaalsContact O-N 3.12Å
58	L	62.7	Low	68.7	Low	24 Å²	24	68 Å²	68	13%	0.126	37%	0.367	C	S	.	.	S	Bend	trans	-88.5	147.4	177.3	-64.5	176.1	0	0	0	111.5	L55 N60 V64 H117	L55-L58 HydrophobicContact CD2-CD1 4.27Å; L55-L58 WeakPolarHBondContact O-CB 3.26Å; L55-L58 PolarHBondContact O-N 2.86Å; L58-N60 VanDerWaalsContact C-N 3.29Å; L58-N60 PolarHBondContact O-N 3.27Å; L58-V64 HydrophobicContact CD1-CG2 3.9Å; L58-H117 HydrophobicContact CD1-CB 4.35Å; L58-H117 HydrophobicContact CD2-CB 3.96Å
59	P	55.1	Low	68.7	Low	96 Å²	96	71.2 Å²	71.2	62%	0.623	38%	0.379	S	S	*	.	S	Bend	trans	-60.5	-32.1	-176.2	-25.7	34.7	0	0	0	115.3
60	N	60.2	Low	68.2	Low	96 Å²	96	68.5 Å²	68.5	51%	0.513	37%	0.366	S	S	.	.			trans	-133.5	89.5	179	-74.9	-33.8	0	0	0	109.6	L58 S62 T63	L58-N60 VanDerWaalsContact C-N 3.29Å; L58-N60 PolarHBondContact O-N 3.27Å; N60-S62 VanDerWaalsContact C-N 3.31Å; N60-S62 PolarHBondContact O-N 3.43Å; N60-T63 WeakPolarHBondContact CB-OG1 3.17Å; N60-T63 PolarHBondContact O-OG1 2.79Å
61	P	58.3	Low	67.2	Low	68 Å²	68	77.6 Å²	77.6	44%	0.442	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-70.1	-25.1	-177.2	26.5	-34.1	0	0	0	113.4	T63	P61-T63 VanDerWaalsContact C-N 3.29Å; P61-T63 PolarHBondContact O-N 2.89Å
62	S	59.3	Low	66.2	Low	114 Å²	114	80.4 Å²	80.4	80%	0.797	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-81.4	3.7	-176.4	53.6	0	0	0	0	115.4	N60	N60-S62 VanDerWaalsContact C-N 3.31Å; N60-S62 PolarHBondContact O-N 3.43Å
63	T	63.8	Low	65.5	Low	81 Å²	81	87.3 Å²	87.3	50%	0.497	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-120.7	10.5	179.8	56.4	0	0	0	0	113.5	N60 P61	N60-T63 WeakPolarHBondContact CB-OG1 3.17Å; N60-T63 PolarHBondContact O-OG1 2.79Å; P61-T63 VanDerWaalsContact C-N 3.29Å; P61-T63 PolarHBondContact O-N 2.89Å
64	V	70.8	Confident	65.1	Low	17 Å²	17	88.1 Å²	88.1	10%	0.103	47%	0.468	C	S	.	.			trans	-83.2	126.8	179.8	-176.8	0	0	0	0	109.7	L55 L58 T112	L55-V64 HydrophobicContact CD2-CB 4.46Å; L55-V64 HydrophobicContact CD2-CG1 3.96Å; L55-V64 HydrophobicContact CD2-CG2 4.43Å; L58-V64 HydrophobicContact CD1-CG2 3.9Å; V64-T112 HydrophobicContact CG1-CG2 3.63Å
65	R	75	Confident	65.3	Low	127 Å²	127	89.7 Å²	89.7	48%	0.479	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152	168.3	-75.3	-172.1	-70.7	159.8	-5	110.9	E81 D82 T112 L113	R65-E81 CarbonylContact C-O 3.54Å; R65-E81 VanDerWaalsContact CA-O 3.29Å; R65-E81 WeakPolarHBondContact CA-O 3.27Å; R65-E81 VanDerWaalsContact CB-O 3.25Å; R65-E81 WeakPolarHBondContact CB-O 3.23Å; R65-E81 WeakPolarHBondContact CG-O 3.37Å; R65-D82 WeakPolarHBondContact CD-OD1 3.4Å; R65-T112 CarbonylContact O-C 3.6Å; R65-T112 WeakPolarHBondContact O-CA 3.42Å; R65-L113 PolarHBondContact N-O 3.42Å; R65-L113 PolarHBondContact O-N 3.39Å
66	F	81.1	Confident	65.9	Low	5 Å²	5	91.7 Å²	91.7	2%	0.022	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	150.9	-177.7	-58.2	-90.6	0	0	0	110.2	L47 L55 V79 E81 G84 V110 I111 T112 F121	L47-F66 HydrophobicContact CB-CE1 4.45Å; L47-F66 HydrophobicContact CD2-CD1 3.77Å; L47-F66 HydrophobicContact CD2-CE1 4.18Å; L47-F66 HydrophobicContact CG-CD1 4.24Å; L47-F66 HydrophobicContact CG-CE1 4.15Å; L55-F66 HydrophobicContact CD1-CE1 4.48Å; L55-F66 HydrophobicContact CD1-CZ 3.92Å; L55-F66 HydrophobicContact CD2-CE1 4.5Å; L55-F66 HydrophobicContact CD2-CZ 4.32Å; F66-V79 HydrophobicContact CB-CG1 4.37Å; F66-E81 PolarHBondContact N-O 3.38Å; F66-E81 WeakPolarHBondContact O-CA 3.43Å; F66-E81 VanDerWaalsContact O-CB 3.28Å; F66-E81 WeakPolarHBondContact O-CB 3.41Å; F66-E81 WeakPolarHBondContact O-CG 3.46Å; F66-G84 VanDerWaalsContact CD2-CA 3.41Å; F66-V110 HydrophobicContact CB-CG1 4Å; F66-V110 HydrophobicContact CD1-CG1 4.36Å; F66-I111 CarbonylContact C-O 3.51Å; F66-I111 WeakPolarHBondContact CA-O 3.48Å; F66-T112 HydrophobicContact CD1-CG2 4.32Å; F66-T112 HydrophobicContact CE1-CG2 4.26Å; F66-F121 HydrophobicContact CD1-CE2 4.5Å; F66-F121 HydrophobicContact CE1-CE2 4.16Å
67	R	80.8	Confident	66.9	Low	116 Å²	116	85.4 Å²	85.4	44%	0.438	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	123.7	171.8	170.8	163.9	-72.2	-163.3	-3.7	110.8	E81 V110 I111 L113	R67-E81 IonicContact CZ-OE1 2.79Å; R67-E81 IonicContact NE-OE1 3.83Å; R67-E81 PolarHBondContact NE-OE1 3.43Å; R67-E81 IonicContact NH2-OE1 3.12Å; R67-E81 PolarHBondContact NH2-OE1 2.79Å; R67-E81 IonicContact NH2-OE2 2.73Å; R67-E81 PolarHBondContact NH2-OE2 2.78Å; R67-V110 WeakPolarHBondContact O-CA 3.28Å; R67-I111 HydrophobicContact CB-CG1 4.23Å; R67-I111 PolarHBondContact N-O 3.17Å; R67-I111 WeakPolarHBondContact O-CG1 3.39Å; R67-I111 PolarHBondContact O-N 3.29Å; R67-L113 HydrophobicContact CB-CD1 4.26Å
68	A	79.5	Confident	68.1	Low	25 Å²	25	81.2 Å²	81.2	21%	0.207	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.8	172.4	0	0	0	0	0	111.6	Q70 V79 F108 D109 V110	A68-Q70 HydrophobicContact CB-CG 4.1Å; A68-V79 HydrophobicContact CB-CB 4.24Å; A68-V79 HydrophobicContact CB-CG2 3.97Å; A68-F108 HydrophobicContact CB-CD2 4.3Å; A68-D109 CarbonylContact C-O 3.52Å; A68-D109 WeakPolarHBondContact CA-O 3.36Å; A68-V110 HydrophobicContact CB-CG2 4.34Å
69	M	73.8	Confident	69	Low	106 Å²	106	80.8 Å²	80.8	52%	0.522	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	60.5	176.7	-70.4	-173.6	55	0	0	110.5	D109 I111	M69-D109 HydrophobicContact CB-CB 4.31Å; M69-D109 PolarHBondContact N-O 3.42Å; M69-I111 HydrophobicContact CG-CD1 4.27Å; M69-I111 HydrophobicContact CG-CG1 4.12Å; M69-I111 HydrophobicContact CG-CG2 4.45Å; M69-I111 HydrophobicContact SD-CB 4.43Å; M69-I111 HydrophobicContact SD-CD1 3.93Å; M69-I111 HydrophobicContact SD-CG1 4.06Å; M69-I111 HydrophobicContact SD-CG2 3.55Å; M69-I111 VanDerWaalsContact SD-CG2 3.55Å
70	Q	66.3	Low	70.4	Confident	63 Å²	63	79.3 Å²	79.3	29%	0.294	43%	0.429	S	S	.	.			trans	-88.1	143.6	-175.9	-71	159	-29	0	0	112.2	A68 P75 L77 F108	A68-Q70 HydrophobicContact CB-CG 4.1Å; Q70-P75 HydrophobicContact CB-CB 4.44Å; Q70-P75 HydrophobicContact CG-CB 4.49Å; Q70-L77 PolarHBondContact NE2-O 3.02Å; Q70-L77 PolarHBondContact OE1-O 3.12Å; Q70-F108 HydrophobicContact CG-CB 3.76Å; Q70-F108 HydrophobicContact CG-CD2 4.16Å; Q70-F108 HydrophobicContact CG-CG 4.14Å
71	R	56.1	Low	71.3	Confident	258 Å²	258	77.7 Å²	77.7	97%	0.974	42%	0.418	S	S	*	.			trans	-106.4	85.1	174.2	-74.3	-178	172.2	-179.5	-0.7	110.4
72	G	54.7	Low	72.3	Confident	59 Å²	59	80.2 Å²	80.2	61%	0.608	43%	0.428	S	S	*	.	S	Bend	trans	-174.7	159.5	177	0	0	0	0	0	111.7	S74	G72-S74 VanDerWaalsContact C-N 3.34Å
73	N	53.6	Low	73	Confident	181 Å²	181	77.3 Å²	77.3	97%	0.968	40%	0.403	S	S	*	.	S	Bend	trans	-87.3	-5.4	-176.1	-144.7	40.9	0	0	0	113.7
74	S	57.2	Low	73.7	Confident	97 Å²	97	73.5 Å²	73.5	68%	0.678	38%	0.38	S	S	*	.	S	Bend	trans	-158.2	114.3	167	50.8	0	0	0	0	107.3	G72	G72-S74 VanDerWaalsContact C-N 3.34Å
75	P	74.2	Confident	74.3	Confident	50 Å²	50	74.3 Å²	74.3	33%	0.325	38%	0.382	S	S	.	.			trans	-79.1	134.3	-177.3	31.8	-34.1	0	0	0	111	Q70 L77 V78	Q70-P75 HydrophobicContact CB-CB 4.44Å; Q70-P75 HydrophobicContact CG-CB 4.49Å; P75-L77 PolarHBondContact O-N 2.78Å; P75-V78 HydrophobicContact CG-CG2 4.28Å
76	L	78.8	Confident	74.8	Confident	58 Å²	58	68.2 Å²	68.2	30%	0.304	36%	0.36	S	S	.	.	S	Bend	trans	-57.7	-27	173	-65	174.9	0	0	0	112.2	G89 A90 I92 L97 I106	L76-G89 PolarHBondContact O-N 3.46Å; L76-A90 HydrophobicContact CD2-CB 4.32Å; L76-A90 PolarHBondContact O-N 2.91Å; L76-I92 HydrophobicContact CB-CD1 4.42Å; L76-I92 HydrophobicContact CB-CG1 4.26Å; L76-I92 HydrophobicContact CD2-CG1 4.47Å; L76-L97 HydrophobicContact CD1-CD1 4.11Å; L76-L97 HydrophobicContact CD1-CD2 4.41Å; L76-I106 HydrophobicContact CB-CD1 4.4Å; L76-I106 HydrophobicContact CD1-CD1 3.89Å
77	L	83.9	Confident	75.1	Confident	1 Å²	1	69 Å²	69	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.4	-176.9	-60.7	-178.5	0	0	0	110.4	I44 Q70 P75 S87 I88 I92 I106 F108 V125	I44-L77 HydrophobicContact CD1-CD1 4.43Å; I44-L77 HydrophobicContact CD1-CD2 3.36Å; I44-L77 HydrophobicContact CD1-CG 4.47Å; Q70-L77 PolarHBondContact NE2-O 3.02Å; Q70-L77 PolarHBondContact OE1-O 3.12Å; P75-L77 PolarHBondContact O-N 2.78Å; L77-S87 CarbonylContact C-O 3.54Å; L77-S87 WeakPolarHBondContact CA-O 3.46Å; L77-I88 HydrophobicContact CD2-CG1 4.35Å; L77-I92 HydrophobicContact CD2-CD1 3.79Å; L77-I106 HydrophobicContact CD1-CB 4.19Å; L77-I106 HydrophobicContact CD1-CD1 4.39Å; L77-I106 HydrophobicContact CD1-CG2 3.8Å; L77-I106 HydrophobicContact CG-CG2 4.39Å; L77-F108 HydrophobicContact CB-CE1 4.3Å; L77-F108 HydrophobicContact CB-CZ 4.46Å; L77-F108 HydrophobicContact CD1-CD1 4.27Å; L77-F108 HydrophobicContact CD1-CE1 3.56Å; L77-F108 HydrophobicContact CD1-CZ 4.32Å; L77-V125 HydrophobicContact CD1-CB 3.96Å; L77-V125 HydrophobicContact CD1-CG1 4.24Å; L77-V125 HydrophobicContact CD1-CG2 3.73Å
78	V	84.2	Confident	75.3	Confident	63 Å²	63	63.7 Å²	63.7	38%	0.382	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125	179.9	171.7	0	0	0	0	109.9	P75 S87	P75-V78 HydrophobicContact CG-CG2 4.28Å; V78-S87 PolarHBondContact N-O 2.85Å; V78-S87 PolarHBondContact O-N 3.17Å; V78-S87 PolarHBondContact O-OG 2.71Å
79	V	83.1	Confident	75.4	Confident	16 Å²	16	64 Å²	64	10%	0.097	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.3	171.1	-173.8	0	0	0	0	109.3	F66 A68 E85 I86 F108 V110	F66-V79 HydrophobicContact CB-CG1 4.37Å; A68-V79 HydrophobicContact CB-CB 4.24Å; A68-V79 HydrophobicContact CB-CG2 3.97Å; V79-E85 WeakPolarHBondContact CA-O 3.43Å; V79-I86 HydrophobicContact CG2-CG1 4.21Å; V79-I86 HydrophobicContact CG2-CG2 4.36Å; V79-F108 HydrophobicContact CG2-CE2 3.67Å; V79-F108 HydrophobicContact CG2-CZ 4.26Å; V79-V110 HydrophobicContact CG1-CG1 4.48Å; V79-V110 HydrophobicContact CG2-CG2 4.05Å
80	N	83.6	Confident	75.9	Confident	65 Å²	65	60.7 Å²	60.7	35%	0.348	34%	0.341	S	S	.	.			trans	-73.7	123.5	175.1	176.5	-13.3	0	0	0	110.4	D82 N83 G84 E85	N80-D82 VanDerWaalsContact C-N 3.3Å; N80-D82 PolarHBondContact O-N 2.89Å; N80-D82 PolarHBondContact OD1-N 3.32Å; N80-D82 VanDerWaalsContact OD1-N 3.14Å; N80-N83 WeakPolarHBondContact CB-OD1 3.36Å; N80-N83 PolarHBondContact ND2-OD1 2.81Å; N80-N83 VanDerWaalsContact ND2-OD1 3.16Å; N80-G84 WeakPolarHBondContact O-CA 3.41Å; N80-G84 PolarHBondContact O-N 2.83Å; N80-E85 HydrophobicContact CB-CB 4.39Å; N80-E85 PolarHBondContact N-O 3.41Å
81	E	80.2	Confident	76.8	Confident	62 Å²	62	61.4 Å²	61.4	29%	0.29	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.2	-172.3	-59.3	-156.3	141.7	0	0	113.7	R65 F66 R67	R65-E81 CarbonylContact C-O 3.54Å; R65-E81 VanDerWaalsContact CA-O 3.29Å; R65-E81 WeakPolarHBondContact CA-O 3.27Å; R65-E81 VanDerWaalsContact CB-O 3.25Å; R65-E81 WeakPolarHBondContact CB-O 3.23Å; R65-E81 WeakPolarHBondContact CG-O 3.37Å; F66-E81 PolarHBondContact N-O 3.38Å; F66-E81 WeakPolarHBondContact O-CA 3.43Å; F66-E81 VanDerWaalsContact O-CB 3.28Å; F66-E81 WeakPolarHBondContact O-CB 3.41Å; F66-E81 WeakPolarHBondContact O-CG 3.46Å; R67-E81 IonicContact CZ-OE1 2.79Å; R67-E81 IonicContact NE-OE1 3.83Å; R67-E81 PolarHBondContact NE-OE1 3.43Å; R67-E81 IonicContact NH2-OE1 3.12Å; R67-E81 PolarHBondContact NH2-OE1 2.79Å; R67-E81 IonicContact NH2-OE2 2.73Å; R67-E81 PolarHBondContact NH2-OE2 2.78Å
82	D	77.8	Confident	78.2	Confident	120 Å²	120	49.3 Å²	49.3	64%	0.642	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-25.8	-171.4	-70.6	-30.7	0	0	0	113.8	R65 N80	R65-D82 WeakPolarHBondContact CD-OD1 3.4Å; N80-D82 VanDerWaalsContact C-N 3.3Å; N80-D82 PolarHBondContact O-N 2.89Å; N80-D82 PolarHBondContact OD1-N 3.32Å; N80-D82 VanDerWaalsContact OD1-N 3.14Å
83	N	75.1	Confident	79.8	Confident	54 Å²	54	49.2 Å²	49.2	29%	0.289	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-5.8	-178.6	73.1	-6.4	0	0	0	114.7	S48 N80 E85	S48-N83 WeakPolarHBondContact CB-O 3.36Å; S48-N83 PolarHBondContact OG-O 2.85Å; N80-N83 WeakPolarHBondContact CB-OD1 3.36Å; N80-N83 PolarHBondContact ND2-OD1 2.81Å; N80-N83 VanDerWaalsContact ND2-OD1 3.16Å; N83-E85 PolarHBondContact ND2-OE1 2.68Å; N83-E85 PolarHBondContact O-N 3.19Å; N83-E85 WeakPolarHBondContact OD1-CB 3.23Å; N83-E85 PolarHBondContact OD1-N 3.26Å
84	G	77.2	Confident	81.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.244	C	C	.	.			trans	67.8	17.7	-178.3	0	0	0	0	0	114.3	L47 F66 N80 I86	L47-G84 VanDerWaalsContact CB-O 3.23Å; L47-G84 WeakPolarHBondContact CB-O 3.39Å; L47-G84 PolarHBondContact N-O 2.81Å; F66-G84 VanDerWaalsContact CD2-CA 3.41Å; N80-G84 WeakPolarHBondContact O-CA 3.41Å; N80-G84 PolarHBondContact O-N 2.83Å; G84-I86 PolarHBondContact O-N 3.01Å
85	E	84.4	Confident	83	Confident	34 Å²	34	37.4 Å²	37.4	16%	0.159	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.2	175.7	-169.2	166	59.6	0	0	109.8	V43 R46 V79 N80 N83	V43-E85 HydrophobicContact CB-CG 4.36Å; V43-E85 HydrophobicContact CG1-CG 3.57Å; V43-E85 HydrophobicContact CG2-CG 3.86Å; R46-E85 HydrophobicContact CG-CB 4.33Å; R46-E85 HydrophobicContact CG-CG 4.08Å; R46-E85 IonicContact CZ-OE2 3.8Å; R46-E85 IonicContact NE-OE2 3.46Å; R46-E85 PolarHBondContact NE-OE2 2.91Å; R46-E85 IonicContact NH2-OE2 2.93Å; R46-E85 PolarHBondContact NH2-OE2 3.24Å; V79-E85 WeakPolarHBondContact CA-O 3.43Å; N80-E85 HydrophobicContact CB-CB 4.39Å; N80-E85 PolarHBondContact N-O 3.41Å; N83-E85 PolarHBondContact ND2-OE1 2.68Å; N83-E85 PolarHBondContact O-N 3.19Å; N83-E85 WeakPolarHBondContact OD1-CB 3.23Å; N83-E85 PolarHBondContact OD1-N 3.26Å
86	I	86.1	Confident	83.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.4	179.7	-48.1	-175.8	0	0	0	107.2	Y32 I44 A45 V79 G84 F108 I123	Y32-I86 HydrophobicContact CD2-CD1 4.39Å; Y32-I86 HydrophobicContact CE2-CD1 3.87Å; I44-I86 HydrophobicContact CB-CB 4.46Å; I44-I86 HydrophobicContact CB-CG2 4.43Å; I44-I86 HydrophobicContact CD1-CG2 4.33Å; I44-I86 PolarHBondContact N-O 3.04Å; A45-I86 HydrophobicContact CB-CB 4.49Å; A45-I86 HydrophobicContact CB-CD1 4.28Å; A45-I86 HydrophobicContact CB-CG1 4.5Å; A45-I86 PolarHBondContact O-N 2.95Å; V79-I86 HydrophobicContact CG2-CG1 4.21Å; V79-I86 HydrophobicContact CG2-CG2 4.36Å; G84-I86 PolarHBondContact O-N 3.01Å; I86-F108 HydrophobicContact CD1-CZ 4.47Å; I86-F108 HydrophobicContact CG2-CZ 4.06Å; I86-I123 HydrophobicContact CD1-CD1 3.55Å; I86-I123 HydrophobicContact CD1-CG2 4.28Å
87	S	85.8	Confident	83.8	Confident	22 Å²	22	43.5 Å²	43.5	15%	0.154	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.7	-173.5	61	0	0	0	0	112	S42 L77 V78 G89	S42-S87 CarbonylContact O-C 3.54Å; S42-S87 WeakPolarHBondContact O-CA 3.44Å; L77-S87 CarbonylContact C-O 3.54Å; L77-S87 WeakPolarHBondContact CA-O 3.46Å; V78-S87 PolarHBondContact N-O 2.85Å; V78-S87 PolarHBondContact O-N 3.17Å; V78-S87 PolarHBondContact O-OG 2.71Å; S87-G89 PolarHBondContact O-N 2.85Å
88	I	86.6	Confident	83.8	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.5	177.6	-63.1	-176.9	0	0	0	109.7	Q38 V40 G41 S42 I44 L77 A90 I92	Q38-I88 HydrophobicContact CB-CD1 3.38Å; Q38-I88 HydrophobicContact CG-CD1 4.48Å; V40-I88 WeakPolarHBondContact CG1-O 3.37Å; G41-I88 PolarHBondContact N-O 3.34Å; S42-I88 PolarHBondContact O-N 2.76Å; I44-I88 HydrophobicContact CD1-CG1 3.94Å; I44-I88 HydrophobicContact CG1-CG1 4.14Å; L77-I88 HydrophobicContact CD2-CG1 4.35Å; I88-A90 WeakPolarHBondContact CG2-O 3.43Å; I88-I92 HydrophobicContact CG2-CD1 4.4Å
89	G	80.9	Confident	83.8	Confident	31 Å²	31	47.7 Å²	47.7	32%	0.32	26%	0.26	S	S	.	.			trans	-94.1	-28.3	-176.4	0	0	0	0	0	114.9	L76 S87	L76-G89 PolarHBondContact O-N 3.46Å; S87-G89 PolarHBondContact O-N 2.85Å
90	A	83.5	Confident	83.5	Confident	38 Å²	38	51.9 Å²	51.9	31%	0.314	28%	0.277	S	S	.	.	S	Bend	trans	-144	162.3	171.5	0	0	0	0	0	108.3	L76 I88	L76-A90 HydrophobicContact CD2-CB 4.32Å; L76-A90 PolarHBondContact O-N 2.91Å; I88-A90 WeakPolarHBondContact CG2-O 3.43Å
91	T	85.7	Confident	83.4	Confident	78 Å²	78	53.9 Å²	53.9	48%	0.479	29%	0.287	S	S	.	.			trans	-58.1	143.1	171.8	45.1	0	0	0	0	110.1	E37 V40	E37-T91 WeakPolarHBondContact OE1-CB 3.2Å; V40-T91 HydrophobicContact CG2-CG2 4.16Å
92	I	86.7	Confident	83.2	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.015	31%	0.307	C	S	.	.			trans	-113.6	114.8	-178.5	-64.7	170.8	0	0	0	105.4	I34 E36 E37 L76 L77 I88 I106 V127	I34-I92 HydrophobicContact CD1-CD1 3.55Å; E36-I92 WeakPolarHBondContact CB-O 3.37Å; E37-I92 PolarHBondContact N-O 2.87Å; L76-I92 HydrophobicContact CB-CD1 4.42Å; L76-I92 HydrophobicContact CB-CG1 4.26Å; L76-I92 HydrophobicContact CD2-CG1 4.47Å; L77-I92 HydrophobicContact CD2-CD1 3.79Å; I88-I92 HydrophobicContact CG2-CD1 4.4Å; I92-I106 HydrophobicContact CD1-CD1 3.94Å; I92-I106 HydrophobicContact CG2-CD1 4.31Å; I92-V127 HydrophobicContact CG2-CG1 3.93Å; I92-V127 HydrophobicContact CG2-CG2 4.22Å
93	D	88.1	Confident	83.5	Confident	57 Å²	57	58.7 Å²	58.7	31%	0.305	32%	0.315	S	S	.	.			trans	-108.5	114.3	176.2	156.1	-6.7	0	0	0	105.4	E95 Q96 L97	D93-E95 PolarHBondContact OD1-N 3.46Å; D93-Q96 HydrophobicContact CB-CB 4.31Å; D93-Q96 WeakPolarHBondContact OD1-CB 3.48Å; D93-Q96 PolarHBondContact OD1-N 2.82Å; D93-Q96 WeakPolarHBondContact OD2-CB 3.37Å; D93-Q96 PolarHBondContact OD2-NE2 2.92Å; D93-L97 VanDerWaalsContact O-CB 3.29Å; D93-L97 WeakPolarHBondContact O-CB 3.34Å; D93-L97 PolarHBondContact O-N 2.81Å
94	R	88.7	Confident	84.1	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-82	-28.6	-171.6	-169.6	-156.4	62.8	68.9	-2.9	111.2	E36 Q96 L97 C98 Q99 C104 V127 D129	E36-R94 HydrophobicContact CB-CB 4.33Å; E36-R94 VanDerWaalsContact OE1-CB 3.31Å; E36-R94 WeakPolarHBondContact OE1-CB 3.45Å; E36-R94 WeakPolarHBondContact OE1-CD 3.2Å; E36-R94 IonicContact OE1-NE 3.54Å; E36-R94 PolarHBondContact OE1-NE 3.34Å; E36-R94 WeakPolarHBondContact OE2-CA 3.27Å; E36-R94 WeakPolarHBondContact OE2-CB 3.15Å; E36-R94 PolarHBondContact OE2-N 3.21Å; R94-Q96 VanDerWaalsContact C-N 3.34Å; R94-L97 PolarHBondContact O-N 3.05Å; R94-C98 HydrophobicContact CG-CB 4.46Å; R94-C98 WeakPolarHBondContact O-CA 3.19Å; R94-C98 WeakPolarHBondContact O-CB 3.09Å; R94-C98 PolarHBondContact O-N 2.99Å; R94-Q99 PolarHBondContact NH1-O 2.78Å; R94-Q99 PolarHBondContact O-N 2.88Å; R94-C104 HydrophobicContact CG-CB 4.02Å; R94-C104 VanDerWaalsContact CG-SG 3.6Å; R94-V127 HydrophobicContact CB-CG1 4.14Å; R94-V127 HydrophobicContact CG-CG1 4.02Å; R94-D129 IonicContact CZ-OD1 2.77Å; R94-D129 IonicContact NE-OD1 3.63Å; R94-D129 PolarHBondContact NE-OD1 2.04Å; R94-D129 IonicContact NH2-OD1 2.75Å; R94-D129 PolarHBondContact NH2-OD1 3.16Å
95	E	88.2	Confident	84.5	Confident	29 Å²	29	58.7 Å²	58.7	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-41.3	177.3	-69.3	55.1	-108.8	0	0	109.8	D93 Q99 P164	D93-E95 PolarHBondContact OD1-N 3.46Å; E95-Q99 WeakPolarHBondContact O-CA 3.41Å; E95-Q99 WeakPolarHBondContact O-CG 3.42Å; E95-Q99 PolarHBondContact O-N 2.84Å; E95-P164 HydrophobicContact CB-CB 4.48Å; E95-P164 HydrophobicContact CG-CB 3.53Å
96	Q	86.8	Confident	84.5	Confident	158 Å²	158	58.2 Å²	58.2	74%	0.738	32%	0.317	S	S	*	.	H	α-helix	trans	-72.9	-39.6	175.1	-173.4	176.3	131.2	0	0	112.3	D93 R94	D93-Q96 HydrophobicContact CB-CB 4.31Å; D93-Q96 WeakPolarHBondContact OD1-CB 3.48Å; D93-Q96 PolarHBondContact OD1-N 2.82Å; D93-Q96 WeakPolarHBondContact OD2-CB 3.37Å; D93-Q96 PolarHBondContact OD2-NE2 2.92Å; R94-Q96 VanDerWaalsContact C-N 3.34Å
97	L	83.7	Confident	84.5	Confident	77 Å²	77	63.6 Å²	63.6	40%	0.403	34%	0.342	S	S	.	.	H	α-helix	trans	-74.1	-43	-178.1	-172.4	69.4	0	0	0	112.8	L76 D93 R94 I106	L76-L97 HydrophobicContact CD1-CD1 4.11Å; L76-L97 HydrophobicContact CD1-CD2 4.41Å; D93-L97 VanDerWaalsContact O-CB 3.29Å; D93-L97 WeakPolarHBondContact O-CB 3.34Å; D93-L97 PolarHBondContact O-N 2.81Å; R94-L97 PolarHBondContact O-N 3.05Å; L97-I106 HydrophobicContact CD2-CD1 4.02Å; L97-I106 HydrophobicContact CD2-CG1 3.79Å
98	C	83.7	Confident	84.5	Confident	17 Å²	17	63.1 Å²	63.1	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-128.8	-15.7	-165.1	-69.6	0	0	0	0	113.9	R94 K100 N101 C104	R94-C98 HydrophobicContact CG-CB 4.46Å; R94-C98 WeakPolarHBondContact O-CA 3.19Å; R94-C98 WeakPolarHBondContact O-CB 3.09Å; R94-C98 PolarHBondContact O-N 2.99Å; C98-K100 PolarHBondContact O-N 3.28Å; C98-N101 WeakPolarHBondContact O-CB 3.29Å; C98-N101 PolarHBondContact O-N 2.76Å; C98-N101 VanDerWaalsContact O-N 3.16Å; C98-N101 PolarHBondContact O-ND2 2.79Å; C98-C104 HydrophobicContact CB-CB 3.67Å; C98-C104 WeakPolarHBondContact CB-SG 3.47Å; C98-C104 WeakPolarHBondContact SG-CA 2.92Å; C98-C104 WeakPolarHBondContact SG-CB 3.37Å; C98-C104 CovalentContact SG-SG 2.04Å; C98-C104 PolarHBondContact SG-SG 3.19Å
99	Q	84	Confident	84.4	Confident	136 Å²	136	65.4 Å²	65.4	64%	0.636	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	-131.9	-174.9	-57.9	175.6	6.4	0	0	110.4	R94 E95 N101	R94-Q99 PolarHBondContact NH1-O 2.78Å; R94-Q99 PolarHBondContact O-N 2.88Å; E95-Q99 WeakPolarHBondContact O-CA 3.41Å; E95-Q99 WeakPolarHBondContact O-CG 3.42Å; E95-Q99 PolarHBondContact O-N 2.84Å; Q99-N101 PolarHBondContact O-N 2.92Å
100	K	77.1	Confident	84.5	Confident	104 Å²	104	64 Å²	64	45%	0.452	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	13.4	-177.7	-63.4	-168.9	162.1	-65.9	0	115.1	C98 L102 D163 P164	C98-K100 PolarHBondContact O-N 3.28Å; K100-L102 PolarHBondContact O-N 2.91Å; K100-D163 WeakPolarHBondContact CE-O 3.13Å; K100-D163 PolarHBondContact NZ-O 2.75Å; K100-P164 PolarHBondContact NZ-O 3.24Å
101	N	81.8	Confident	84.4	Confident	106 Å²	106	63.3 Å²	63.3	57%	0.567	33%	0.325	S	S	*	.			trans	-78.7	113.2	177.2	-67	-63.6	0	0	0	110.6	C98 Q99 N103	C98-N101 WeakPolarHBondContact O-CB 3.29Å; C98-N101 PolarHBondContact O-N 2.76Å; C98-N101 VanDerWaalsContact O-N 3.16Å; C98-N101 PolarHBondContact O-ND2 2.79Å; Q99-N101 PolarHBondContact O-N 2.92Å; N101-N103 PolarHBondContact O-N 2.96Å; N101-N103 VanDerWaalsContact O-N 3.16Å
102	L	76.4	Confident	84.1	Confident	135 Å²	135	59.6 Å²	59.6	71%	0.707	30%	0.303	S	S	*	.	S	Bend	trans	-55.7	-29.2	177.9	-69	166.9	0	0	0	114	K100 V166	K100-L102 PolarHBondContact O-N 2.91Å; L102-V166 HydrophobicContact CD2-CB 4.07Å; L102-V166 HydrophobicContact CD2-CG2 4.29Å
103	N	83.1	Confident	83.3	Confident	149 Å²	149	61.7 Å²	61.7	80%	0.797	31%	0.314	S	S	*	.			trans	-101.1	93.7	178.7	-67.8	25	0	0	0	109	N101	N101-N103 PolarHBondContact O-N 2.96Å; N101-N103 VanDerWaalsContact O-N 3.16Å
104	C	86.9	Confident	82.3	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.034	32%	0.32	C	S	.	.			trans	-104.6	105.3	175.3	-165.6	0	0	0	0	110.5	R94 C98 E126 V127	R94-C104 HydrophobicContact CG-CB 4.02Å; R94-C104 VanDerWaalsContact CG-SG 3.6Å; C98-C104 HydrophobicContact CB-CB 3.67Å; C98-C104 WeakPolarHBondContact CB-SG 3.47Å; C98-C104 WeakPolarHBondContact SG-CA 2.92Å; C98-C104 WeakPolarHBondContact SG-CB 3.37Å; C98-C104 CovalentContact SG-SG 2.04Å; C98-C104 PolarHBondContact SG-SG 3.19Å; C104-E126 WeakPolarHBondContact O-CA 3.36Å; C104-V127 HydrophobicContact CB-CB 4.29Å; C104-V127 PolarHBondContact O-N 3.27Å
105	S	86.5	Confident	81.1	Confident	48 Å²	48	66.8 Å²	66.8	34%	0.336	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	178.3	55.1	0	0	0	0	112.1	E107 V125	S105-E107 PolarHBondContact OG-OE1 2.78Å; S105-V125 CarbonylContact C-O 3.56Å; S105-V125 WeakPolarHBondContact CA-O 3.45Å
106	I	84.6	Confident	80	Confident	24 Å²	24	72.1 Å²	72.1	12%	0.123	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.5	167.5	-59.1	171.5	0	0	0	107.5	L76 L77 I92 L97 F108 V125 V127	L76-I106 HydrophobicContact CB-CD1 4.4Å; L76-I106 HydrophobicContact CD1-CD1 3.89Å; L77-I106 HydrophobicContact CD1-CB 4.19Å; L77-I106 HydrophobicContact CD1-CD1 4.39Å; L77-I106 HydrophobicContact CD1-CG2 3.8Å; L77-I106 HydrophobicContact CG-CG2 4.39Å; I92-I106 HydrophobicContact CD1-CD1 3.94Å; I92-I106 HydrophobicContact CG2-CD1 4.31Å; L97-I106 HydrophobicContact CD2-CD1 4.02Å; L97-I106 HydrophobicContact CD2-CG1 3.79Å; I106-F108 HydrophobicContact CG2-CD1 4.44Å; I106-V125 HydrophobicContact CB-CB 4.45Å; I106-V125 PolarHBondContact N-O 2.61Å; I106-V125 PolarHBondContact O-N 2.7Å; I106-V127 HydrophobicContact CD1-CG2 3.81Å; I106-V127 HydrophobicContact CG1-CG2 3.99Å
107	E	85.1	Confident	79	Confident	113 Å²	113	66.8 Å²	66.8	53%	0.528	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.4	-179	-74.1	169.7	-147.9	0	0	111.9	S105 I123 E124	S105-E107 PolarHBondContact OG-OE1 2.78Å; E107-I123 WeakPolarHBondContact CA-O 3.36Å; E107-E124 HydrophobicContact CG-CB 4.24Å; E107-E124 HydrophobicContact CG-CG 3.96Å
108	F	85.8	Confident	78.4	Confident	12 Å²	12	66.4 Å²	66.4	5%	0.053	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	149.7	173.6	65.9	-78.4	0	0	0	111.9	A68 Q70 L77 V79 I86 I106 V110 I123 V125	A68-F108 HydrophobicContact CB-CD2 4.3Å; Q70-F108 HydrophobicContact CG-CB 3.76Å; Q70-F108 HydrophobicContact CG-CD2 4.16Å; Q70-F108 HydrophobicContact CG-CG 4.14Å; L77-F108 HydrophobicContact CB-CE1 4.3Å; L77-F108 HydrophobicContact CB-CZ 4.46Å; L77-F108 HydrophobicContact CD1-CD1 4.27Å; L77-F108 HydrophobicContact CD1-CE1 3.56Å; L77-F108 HydrophobicContact CD1-CZ 4.32Å; V79-F108 HydrophobicContact CG2-CE2 3.67Å; V79-F108 HydrophobicContact CG2-CZ 4.26Å; I86-F108 HydrophobicContact CD1-CZ 4.47Å; I86-F108 HydrophobicContact CG2-CZ 4.06Å; I106-F108 HydrophobicContact CG2-CD1 4.44Å; F108-V110 HydrophobicContact CD2-CG2 3.9Å; F108-V110 HydrophobicContact CE2-CG2 3.59Å; F108-I123 HydrophobicContact CD1-CB 4.49Å; F108-I123 HydrophobicContact CE1-CB 4.12Å; F108-I123 HydrophobicContact CE1-CG2 3.98Å; F108-I123 HydrophobicContact CE2-CB 4.26Å; F108-I123 HydrophobicContact CE2-CD1 4.14Å; F108-I123 HydrophobicContact CZ-CB 4.01Å; F108-I123 HydrophobicContact CZ-CD1 4.27Å; F108-I123 HydrophobicContact CZ-CG2 3.91Å; F108-I123 PolarHBondContact N-O 3.4Å; F108-I123 WeakPolarHBondContact O-CA 3.48Å; F108-I123 WeakPolarHBondContact O-CB 3.12Å; F108-I123 PolarHBondContact O-N 3.48Å; F108-V125 HydrophobicContact CE1-CG2 3.96Å
109	D	84.6	Confident	77.9	Confident	52 Å²	52	66.6 Å²	66.6	28%	0.278	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	150.2	177.1	-60.3	-35	0	0	0	111.7	A68 M69 L120 F121 H122	A68-D109 CarbonylContact C-O 3.52Å; A68-D109 WeakPolarHBondContact CA-O 3.36Å; M69-D109 HydrophobicContact CB-CB 4.31Å; M69-D109 PolarHBondContact N-O 3.42Å; D109-L120 HydrophobicContact CB-CD1 3.89Å; D109-F121 CarbonylContact C-O 3.43Å; D109-F121 WeakPolarHBondContact CA-O 3.49Å; D109-H122 WeakPolarHBondContact OD1-CA 3.05Å; D109-H122 IonicContact OD1-CE1 3.7Å; D109-H122 IonicContact OD1-CG 2.71Å; D109-H122 IonicContact OD1-ND1 2.71Å; D109-H122 PolarHBondContact OD1-ND1 3.06Å
110	V	82.9	Confident	77.7	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.4	170.7	-176.9	0	0	0	0	109.7	L47 F66 R67 A68 V79 F108 F121 I123	L47-V110 HydrophobicContact CD2-CB 3.8Å; L47-V110 HydrophobicContact CD2-CG1 3.53Å; L47-V110 HydrophobicContact CD2-CG2 4.18Å; F66-V110 HydrophobicContact CB-CG1 4Å; F66-V110 HydrophobicContact CD1-CG1 4.36Å; R67-V110 WeakPolarHBondContact O-CA 3.28Å; A68-V110 HydrophobicContact CB-CG2 4.34Å; V79-V110 HydrophobicContact CG1-CG1 4.48Å; V79-V110 HydrophobicContact CG2-CG2 4.05Å; F108-V110 HydrophobicContact CD2-CG2 3.9Å; F108-V110 HydrophobicContact CE2-CG2 3.59Å; V110-F121 PolarHBondContact N-O 2.7Å; V110-F121 PolarHBondContact O-N 2.88Å; V110-I123 HydrophobicContact CB-CD1 4.13Å; V110-I123 HydrophobicContact CG2-CD1 3.48Å; V110-I123 VanDerWaalsContact CG2-CD1 3.48Å; V110-I123 HydrophobicContact CG2-CG1 4.2Å
111	I	82.8	Confident	78	Confident	24 Å²	24	58.1 Å²	58.1	12%	0.123	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	154.4	177.1	54.3	167	0	0	0	112.2	F66 R67 M69 L118 Q119 L120	F66-I111 CarbonylContact C-O 3.51Å; F66-I111 WeakPolarHBondContact CA-O 3.48Å; R67-I111 HydrophobicContact CB-CG1 4.23Å; R67-I111 PolarHBondContact N-O 3.17Å; R67-I111 WeakPolarHBondContact O-CG1 3.39Å; R67-I111 PolarHBondContact O-N 3.29Å; M69-I111 HydrophobicContact CG-CD1 4.27Å; M69-I111 HydrophobicContact CG-CG1 4.12Å; M69-I111 HydrophobicContact CG-CG2 4.45Å; M69-I111 HydrophobicContact SD-CB 4.43Å; M69-I111 HydrophobicContact SD-CD1 3.93Å; M69-I111 HydrophobicContact SD-CG1 4.06Å; M69-I111 HydrophobicContact SD-CG2 3.55Å; M69-I111 VanDerWaalsContact SD-CG2 3.55Å; I111-L118 HydrophobicContact CG2-CD1 4.48Å; I111-Q119 WeakPolarHBondContact CA-O 3.24Å; I111-L120 HydrophobicContact CG2-CD1 3.51Å
112	T	78.4	Confident	78.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147	170	56.4	0	0	0	0	112.8	L55 V64 R65 F66 H117 L118 Q119 F121	L55-T112 HydrophobicContact CD2-CG2 4.5Å; V64-T112 HydrophobicContact CG1-CG2 3.63Å; R65-T112 CarbonylContact O-C 3.6Å; R65-T112 WeakPolarHBondContact O-CA 3.42Å; F66-T112 HydrophobicContact CD1-CG2 4.32Å; F66-T112 HydrophobicContact CE1-CG2 4.26Å; T112-H117 PolarHBondContact OG1-O 3.15Å; T112-L118 WeakPolarHBondContact OG1-CA 3.27Å; T112-Q119 HydrophobicContact CG2-CB 4.3Å; T112-Q119 PolarHBondContact N-O 3.28Å; T112-Q119 PolarHBondContact OG1-N 2.76Å; T112-F121 HydrophobicContact CG2-CE2 3.77Å; T112-F121 HydrophobicContact CG2-CZ 4.32Å
113	L	71.1	Confident	78.5	Confident	47 Å²	47	48.9 Å²	48.9	25%	0.246	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.7	173.5	-64.8	175.8	0	0	0	109.9	R65 R67 T115	R65-L113 PolarHBondContact N-O 3.42Å; R65-L113 PolarHBondContact O-N 3.39Å; R67-L113 HydrophobicContact CB-CD1 4.26Å; L113-T115 HydrophobicContact CD2-CG2 3.8Å
114	P	66.5	Low	78.7	Confident	67 Å²	67	43.7 Å²	43.7	44%	0.435	23%	0.23	S	C	.	.	S	Bend	cis	-73	156	1.5	31.2	-36.3	0	0	0	113.7	E116 H117	P114-E116 PolarHBondContact O-N 2.92Å; P114-H117 PolarHBondContact O-N 3.47Å
115	T	63.2	Low	78.6	Confident	99 Å²	99	43.5 Å²	43.5	61%	0.607	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-63.8	-14.1	-171.9	51.2	0	0	0	0	115	L113 H117 L118	L113-T115 HydrophobicContact CD2-CG2 3.8Å; T115-H117 PolarHBondContact O-N 3.19Å; T115-L118 HydrophobicContact CG2-CD1 4.36Å; T115-L118 PolarHBondContact O-N 2.7Å
116	E	65.8	Low	78.7	Confident	140 Å²	140	44.1 Å²	44.1	65%	0.654	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-61.5	-18.8	170.4	-62.8	-176	-160.9	0	0	113.2	R23 P114	R23-E116 PolarHBondContact NH1-O 3.35Å; P114-E116 PolarHBondContact O-N 2.92Å
117	H	65.9	Low	78.8	Confident	46 Å²	46	43.4 Å²	43.4	21%	0.213	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-129.1	35.7	178.6	-64.2	-15.5	0	0	0	111.5	L58 T112 P114 T115 Q119	L58-H117 HydrophobicContact CD1-CB 4.35Å; L58-H117 HydrophobicContact CD2-CB 3.96Å; T112-H117 PolarHBondContact OG1-O 3.15Å; P114-H117 PolarHBondContact O-N 3.47Å; T115-H117 PolarHBondContact O-N 3.19Å; H117-Q119 PolarHBondContact O-N 2.93Å
118	L	70.3	Confident	78.9	Confident	69 Å²	69	40 Å²	40	36%	0.361	21%	0.208	S	C	.	.			trans	-63	120.3	-179.9	-170.4	149.2	0	0	0	111.7	I111 T112 T115	I111-L118 HydrophobicContact CG2-CD1 4.48Å; T112-L118 WeakPolarHBondContact OG1-CA 3.27Å; T115-L118 HydrophobicContact CG2-CD1 4.36Å; T115-L118 PolarHBondContact O-N 2.7Å
119	Q	73.9	Confident	79	Confident	22 Å²	22	40.8 Å²	40.8	10%	0.103	21%	0.213	C	C	.	.			trans	-116	151.7	164.1	-62.8	-179	4.6	0	0	107.5	V54 I111 T112 H117 F121	V54-Q119 VanDerWaalsContact CG1-OE1 3.31Å; V54-Q119 PolarHBondContact O-NE2 2.92Å; I111-Q119 WeakPolarHBondContact CA-O 3.24Å; T112-Q119 HydrophobicContact CG2-CB 4.3Å; T112-Q119 PolarHBondContact N-O 3.28Å; T112-Q119 PolarHBondContact OG1-N 2.76Å; H117-Q119 PolarHBondContact O-N 2.93Å; Q119-F121 HydrophobicContact CB-CE1 4Å; Q119-F121 HydrophobicContact CB-CE2 4.35Å; Q119-F121 HydrophobicContact CB-CZ 3.68Å
120	L	79.8	Confident	79.2	Confident	61 Å²	61	40.5 Å²	40.5	32%	0.319	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.4	-179	-177.8	71.3	0	0	0	108.8	G27 K28 D109 I111	G27-L120 WeakPolarHBondContact CA-O 3.47Å; K28-L120 PolarHBondContact N-O 3.37Å; D109-L120 HydrophobicContact CB-CD1 3.89Å; I111-L120 HydrophobicContact CG2-CD1 3.51Å
121	F	82.9	Confident	79.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.1	175.2	-50.3	-52.1	0	0	0	108.1	K28 L30 L47 V51 F66 D109 V110 T112 Q119 I123	K28-F121 HydrophobicContact CB-CD1 4.12Å; K28-F121 HydrophobicContact CB-CE1 4.46Å; K28-F121 WeakPolarHBondContact O-CA 3.31Å; L30-F121 HydrophobicContact CD1-CB 4.27Å; L47-F121 HydrophobicContact CD1-CB 4.26Å; L47-F121 HydrophobicContact CD1-CD2 4.3Å; L47-F121 HydrophobicContact CD1-CG 4.36Å; L47-F121 HydrophobicContact CD2-CB 4.49Å; L47-F121 HydrophobicContact CD2-CD2 3.85Å; L47-F121 HydrophobicContact CG-CD2 4.1Å; V51-F121 HydrophobicContact CB-CZ 4.38Å; V51-F121 HydrophobicContact CG1-CD1 4.21Å; V51-F121 HydrophobicContact CG1-CE1 3.5Å; V51-F121 HydrophobicContact CG1-CE2 4.38Å; V51-F121 HydrophobicContact CG1-CZ 3.58Å; F66-F121 HydrophobicContact CD1-CE2 4.5Å; F66-F121 HydrophobicContact CE1-CE2 4.16Å; D109-F121 CarbonylContact C-O 3.43Å; D109-F121 WeakPolarHBondContact CA-O 3.49Å; V110-F121 PolarHBondContact N-O 2.7Å; V110-F121 PolarHBondContact O-N 2.88Å; T112-F121 HydrophobicContact CG2-CE2 3.77Å; T112-F121 HydrophobicContact CG2-CZ 4.32Å; Q119-F121 HydrophobicContact CB-CE1 4Å; Q119-F121 HydrophobicContact CB-CE2 4.35Å; Q119-F121 HydrophobicContact CB-CZ 3.68Å; F121-I123 HydrophobicContact CB-CG1 4.43Å
122	H	83.9	Confident	79.7	Confident	48 Å²	48	43 Å²	43	22%	0.222	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.8	171.1	179	68.4	0	0	0	107.7	K28 N29 L30 D109	K28-H122 PolarHBondContact O-N 2.83Å; N29-H122 CarbonylContact C-O 3.52Å; N29-H122 WeakPolarHBondContact CA-O 3.08Å; L30-H122 PolarHBondContact N-O 3.32Å; D109-H122 WeakPolarHBondContact OD1-CA 3.05Å; D109-H122 IonicContact OD1-CE1 3.7Å; D109-H122 IonicContact OD1-CG 2.71Å; D109-H122 IonicContact OD1-ND1 2.71Å; D109-H122 PolarHBondContact OD1-ND1 3.06Å
123	I	85.3	Confident	80.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.1	-173.6	-50.2	-168.3	0	0	0	109.6	Y32 L47 I86 E107 F108 V110 F121 V125	Y32-I123 HydrophobicContact CD2-CG2 3.62Å; Y32-I123 HydrophobicContact CE2-CG2 3.76Å; L47-I123 HydrophobicContact CD1-CD1 3.82Å; L47-I123 HydrophobicContact CD2-CD1 3.91Å; I86-I123 HydrophobicContact CD1-CD1 3.55Å; I86-I123 HydrophobicContact CD1-CG2 4.28Å; E107-I123 WeakPolarHBondContact CA-O 3.36Å; F108-I123 HydrophobicContact CD1-CB 4.49Å; F108-I123 HydrophobicContact CE1-CB 4.12Å; F108-I123 HydrophobicContact CE1-CG2 3.98Å; F108-I123 HydrophobicContact CE2-CB 4.26Å; F108-I123 HydrophobicContact CE2-CD1 4.14Å; F108-I123 HydrophobicContact CZ-CB 4.01Å; F108-I123 HydrophobicContact CZ-CD1 4.27Å; F108-I123 HydrophobicContact CZ-CG2 3.91Å; F108-I123 PolarHBondContact N-O 3.4Å; F108-I123 WeakPolarHBondContact O-CA 3.48Å; F108-I123 WeakPolarHBondContact O-CB 3.12Å; F108-I123 PolarHBondContact O-N 3.48Å; V110-I123 HydrophobicContact CB-CD1 4.13Å; V110-I123 HydrophobicContact CG2-CD1 3.48Å; V110-I123 VanDerWaalsContact CG2-CD1 3.48Å; V110-I123 HydrophobicContact CG2-CG1 4.2Å; F121-I123 HydrophobicContact CB-CG1 4.43Å; I123-V125 HydrophobicContact CG2-CG2 4Å
124	E	85.9	Confident	81.1	Confident	40 Å²	40	44.8 Å²	44.8	19%	0.187	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.4	177.5	-173.6	-166.5	146.2	0	0	108.1	L30 K31 Y32 E107	L30-E124 PolarHBondContact O-N 2.72Å; K31-E124 WeakPolarHBondContact CA-O 3.15Å; K31-E124 WeakPolarHBondContact CE-OE2 3.28Å; K31-E124 HydrophobicContact CG-CB 4.23Å; K31-E124 IonicContact NZ-OE1 3.71Å; K31-E124 PolarHBondContact NZ-OE1 2.71Å; K31-E124 IonicContact NZ-OE2 2.75Å; K31-E124 PolarHBondContact NZ-OE2 3.44Å; Y32-E124 PolarHBondContact N-O 2.89Å; E107-E124 HydrophobicContact CG-CB 4.24Å; E107-E124 HydrophobicContact CG-CG 3.96Å
125	V	86.5	Confident	82.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	106.7	178.8	-175.3	0	0	0	0	109.1	I34 L77 S105 I106 F108 I123	I34-V125 HydrophobicContact CD1-CG1 3.88Å; I34-V125 HydrophobicContact CG1-CG1 3.9Å; I34-V125 HydrophobicContact CG2-CG1 4.08Å; L77-V125 HydrophobicContact CD1-CB 3.96Å; L77-V125 HydrophobicContact CD1-CG1 4.24Å; L77-V125 HydrophobicContact CD1-CG2 3.73Å; S105-V125 CarbonylContact C-O 3.56Å; S105-V125 WeakPolarHBondContact CA-O 3.45Å; I106-V125 HydrophobicContact CB-CB 4.45Å; I106-V125 PolarHBondContact N-O 2.61Å; I106-V125 PolarHBondContact O-N 2.7Å; F108-V125 HydrophobicContact CE1-CG2 3.96Å; I123-V125 HydrophobicContact CG2-CG2 4Å
126	E	86.9	Confident	83.6	Confident	62 Å²	62	43.9 Å²	43.9	29%	0.29	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.2	176.8	-176.6	178.9	178.4	0	0	109.2	Y32 R33 I34 C104 L128	Y32-E126 PolarHBondContact O-N 2.94Å; R33-E126 WeakPolarHBondContact CA-O 3.08Å; R33-E126 HydrophobicContact CG-CB 3.98Å; R33-E126 HydrophobicContact CG-CG 4.35Å; R33-E126 IonicContact CZ-OE1 3.75Å; R33-E126 IonicContact CZ-OE2 2.87Å; R33-E126 IonicContact NE-OE1 3.21Å; R33-E126 IonicContact NE-OE2 2.79Å; R33-E126 PolarHBondContact NE-OE2 3.16Å; R33-E126 IonicContact NH2-OE1 2.71Å; R33-E126 PolarHBondContact NH2-OE1 2.96Å; R33-E126 IonicContact NH2-OE2 3.94Å; R33-E126 PolarHBondContact NH2-OE2 2.93Å; I34-E126 PolarHBondContact N-O 2.63Å; C104-E126 WeakPolarHBondContact O-CA 3.36Å; E126-L128 HydrophobicContact CG-CD2 4.26Å
127	V	88.3	Confident	84.8	Confident	8 Å²	8	38.1 Å²	38.1	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.5	178.9	-174.6	0	0	0	0	108.3	I34 E36 I92 R94 C104 I106	I34-V127 HydrophobicContact CD1-CG2 4.32Å; I34-V127 HydrophobicContact CG1-CG2 4.35Å; E36-V127 HydrophobicContact CB-CG1 3.91Å; I92-V127 HydrophobicContact CG2-CG1 3.93Å; I92-V127 HydrophobicContact CG2-CG2 4.22Å; R94-V127 HydrophobicContact CB-CG1 4.14Å; R94-V127 HydrophobicContact CG-CG1 4.02Å; C104-V127 HydrophobicContact CB-CB 4.29Å; C104-V127 PolarHBondContact O-N 3.27Å; I106-V127 HydrophobicContact CD1-CG2 3.81Å; I106-V127 HydrophobicContact CG1-CG2 3.99Å
128	L	86.6	Confident	85.8	Confident	43 Å²	43	40.1 Å²	40.1	23%	0.225	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.4	179.3	-57.3	177.7	0	0	0	110.4	R33 I34 Y35 E36 E126	R33-L128 HydrophobicContact CB-CD1 4.21Å; I34-L128 VanDerWaalsContact O-CB 3.27Å; I34-L128 WeakPolarHBondContact O-CB 3.46Å; I34-L128 WeakPolarHBondContact O-CG 3.25Å; I34-L128 PolarHBondContact O-N 3.31Å; Y35-L128 WeakPolarHBondContact CA-O 3.48Å; Y35-L128 HydrophobicContact CD1-CB 3.66Å; Y35-L128 HydrophobicContact CD1-CD1 4.36Å; Y35-L128 HydrophobicContact CE1-CB 3.87Å; Y35-L128 HydrophobicContact CE1-CD1 3.96Å; Y35-L128 HydrophobicContact CE2-CD1 4.42Å; Y35-L128 HydrophobicContact CG-CB 4.35Å; E36-L128 PolarHBondContact N-O 3.41Å; E126-L128 HydrophobicContact CG-CD2 4.26Å
129	D	88.4	Confident	86.7	Confident	27 Å²	27	43.2 Å²	43.2	14%	0.144	22%	0.219	C	C	.	.			trans	-62.1	143.9	178.8	-179	109.7	0	0	0	113	E36 R94 V166 N169	E36-D129 VanDerWaalsContact OE1-CA 3.27Å; E36-D129 WeakPolarHBondContact OE1-CA 3.33Å; R94-D129 IonicContact CZ-OD1 2.77Å; R94-D129 IonicContact NE-OD1 3.63Å; R94-D129 PolarHBondContact NE-OD1 2.04Å; R94-D129 IonicContact NH2-OD1 2.75Å; R94-D129 PolarHBondContact NH2-OD1 3.16Å; D129-V166 HydrophobicContact CB-CG2 4.03Å; D129-V166 WeakPolarHBondContact OD1-CG2 3.38Å; D129-V166 PolarHBondContact OD1-N 2.81Å; D129-N169 VanDerWaalsContact OD2-CB 3.26Å; D129-N169 WeakPolarHBondContact OD2-CB 3.47Å; D129-N169 PolarHBondContact OD2-ND2 2.6Å
130	I	88.4	Confident	87.4	Confident	46 Å²	46	46.7 Å²	46.7	24%	0.236	25%	0.246	C	C	.	.			trans	-127.6	155.7	171.4	69.5	178.1	0	0	0	111	Y35 E36 E37 D132 N169	Y35-I130 HydrophobicContact CD1-CG2 3.85Å; Y35-I130 HydrophobicContact CG-CG2 4.34Å; E36-I130 HydrophobicContact CG-CB 4.38Å; E36-I130 HydrophobicContact CG-CD1 3.81Å; E36-I130 HydrophobicContact CG-CG1 3.58Å; E36-I130 HydrophobicContact CG-CG2 4.21Å; E36-I130 PolarHBondContact OE1-N 3.39Å; E37-I130 HydrophobicContact CB-CD1 4.01Å; I130-D132 HydrophobicContact CD1-CB 4.01Å; I130-D132 HydrophobicContact CG1-CB 3.97Å; I130-D132 PolarHBondContact O-N 3.03Å; I130-N169 VanDerWaalsContact C-ND2 3.31Å; I130-N169 WeakPolarHBondContact CA-ND2 3.25Å
131	N	89.1	Confident	88	Confident	13 Å²	13	48 Å²	48	7%	0.07	25%	0.252	C	S	.	.	S	Bend	trans	-81.2	57	-179.6	-153.1	63.4	0	0	0	112.4	N169 D220 P224 R226	N131-N169 HydrophobicContact CB-CB 4.11Å; N131-N169 PolarHBondContact N-ND2 2.79Å; N131-N169 WeakPolarHBondContact OD1-CA 3.04Å; N131-N169 VanDerWaalsContact OD1-CB 3.28Å; N131-N169 WeakPolarHBondContact OD1-CB 3.42Å; N131-N169 PolarHBondContact OD1-O 3.24Å; N131-N169 VanDerWaalsContact OD1-O 3.09Å; N131-D220 VanDerWaalsContact ND2-CG 3.26Å; N131-D220 PolarHBondContact ND2-OD1 2.89Å; N131-D220 PolarHBondContact ND2-OD2 2.83Å; N131-P224 PolarHBondContact ND2-O 2.86Å; N131-R226 WeakPolarHBondContact O-CD 3.31Å; N131-R226 PolarHBondContact O-NH1 3.5Å; N131-R226 VanDerWaalsContact O-NH1 3.15Å
132	D	87.3	Confident	88.4	Confident	63 Å²	63	48.5 Å²	48.5	34%	0.337	26%	0.255	S	S	.	.			trans	-93.7	-13	179.8	95.1	-42.3	0	0	0	114.2	I130 R226	I130-D132 HydrophobicContact CD1-CB 4.01Å; I130-D132 HydrophobicContact CG1-CB 3.97Å; I130-D132 PolarHBondContact O-N 3.03Å; D132-R226 VanDerWaalsContact CA-NH1 3.28Å; D132-R226 PolarHBondContact O-NH1 2.85Å; D132-R226 PolarHBondContact O-NH2 2.86Å
133	N	88.4	Confident	88.8	Confident	49 Å²	49	50.3 Å²	50.3	26%	0.262	27%	0.271	S	S	.	.	S	Bend	trans	-96.9	-166.2	162.3	-56.2	-84.7	0	0	0	110.8	P164 D165 R226	N133-P164 HydrophobicContact CB-CB 4.06Å; N133-P164 HydrophobicContact CB-CG 3.62Å; N133-D165 VanDerWaalsContact CB-OD1 3.24Å; N133-D165 WeakPolarHBondContact CB-OD1 3.29Å; N133-D165 PolarHBondContact N-OD2 2.86Å; N133-D165 PolarHBondContact ND2-OD1 2.82Å; N133-R226 VanDerWaalsContact O-CD 3.28Å; N133-R226 WeakPolarHBondContact O-CD 2.88Å; N133-R226 PolarHBondContact O-NE 2.93Å; N133-R226 PolarHBondContact O-NH1 3.24Å; N133-R226 PolarHBondContact O-NH2 3.02Å
134	S	89.4	Confident	89.2	Confident	37 Å²	37	51 Å²	51	26%	0.259	27%	0.274	S	S	.	.			trans	-169.7	148.6	-177.2	42	0	0	0	0	110.9	Q136 D163 R226	S134-Q136 PolarHBondContact O-N 3.32Å; S134-D163 WeakPolarHBondContact CA-OD1 3.15Å; S134-D163 PolarHBondContact N-OD1 3Å; S134-R226 PolarHBondContact OG-NH2 2.71Å
135	P	92	Very high	89.5	Confident	2 Å²	2	56 Å²	56	1%	0.013	30%	0.298	C	S	.	.			trans	-52.6	120.3	-178.9	-26.1	29.9	0	0	0	113.6	A161 D163 L171 A218 D220 G228	P135-A161 HydrophobicContact CB-CB 4.19Å; P135-D163 WeakPolarHBondContact CD-OD2 3.39Å; P135-D163 VanDerWaalsContact CG-OD2 3.31Å; P135-D163 WeakPolarHBondContact CG-OD2 3.28Å; P135-L171 HydrophobicContact CB-CD1 4.24Å; P135-L171 HydrophobicContact CG-CD1 4.28Å; P135-A218 HydrophobicContact CB-CB 3.68Å; P135-A218 HydrophobicContact CG-CB 4.47Å; P135-D220 HydrophobicContact CG-CB 4.5Å; P135-G228 VanDerWaalsContact O-CA 3.25Å; P135-G228 WeakPolarHBondContact O-CA 3.35Å; P135-G228 PolarHBondContact O-N 2.77Å
136	Q	90.6	Very high	89.9	Confident	146 Å²	146	56.4 Å²	56.4	68%	0.682	30%	0.3	S	S	*	.	B	Isolated β-bridge	trans	-118.2	130.6	179.1	-169.4	176.4	20.1	0	0	111.7	S134 A161 F162	S134-Q136 PolarHBondContact O-N 3.32Å; Q136-A161 WeakPolarHBondContact O-CA 3.22Å; Q136-F162 PolarHBondContact N-O 3.26Å; Q136-F162 PolarHBondContact O-N 2.83Å
137	F	90.8	Very high	90.2	Very high	18 Å²	18	55.1 Å²	55.1	8%	0.079	30%	0.298	C	S	.	.			trans	-81.7	145.1	170.4	-69.2	-80.3	0	0	0	111.6	R139 I142 A161 Y174 L216 A218	F137-R139 WeakPolarHBondContact CB-O 3.11Å; F137-R139 PolarHBondContact O-N 3.05Å; F137-I142 HydrophobicContact CD1-CD1 4.38Å; F137-A161 HydrophobicContact CD1-CB 4.04Å; F137-A161 HydrophobicContact CE1-CB 3.87Å; F137-A161 HydrophobicContact CE2-CB 4.43Å; F137-A161 HydrophobicContact CG-CB 4.39Å; F137-A161 HydrophobicContact CZ-CB 4.08Å; F137-Y174 HydrophobicContact CE1-CD1 4.33Å; F137-Y174 AromaticContact CE1-CE1 3.92Å; F137-Y174 HydrophobicContact CE1-CE1 3.92Å; F137-Y174 HydrophobicContact CZ-CD1 4.04Å; F137-Y174 AromaticContact CZ-CE1 3.99Å; F137-Y174 HydrophobicContact CZ-CE1 3.99Å; F137-L216 HydrophobicContact CE1-CD2 3.5Å; F137-L216 HydrophobicContact CE1-CG 4.26Å; F137-L216 HydrophobicContact CZ-CD2 3.54Å; F137-L216 HydrophobicContact CZ-CG 3.77Å; F137-A218 HydrophobicContact CE2-CB 3.82Å; F137-A218 HydrophobicContact CZ-CB 3.67Å
138	S	87.9	Confident	90.5	Very high	89 Å²	89	55.1 Å²	55.1	62%	0.622	30%	0.297	S	S	*	.	S	Bend	trans	-62.6	-21.8	174.9	58.5	0	0	0	0	113.7
139	R	89.4	Confident	90.7	Very high	134 Å²	134	57.2 Å²	57.2	51%	0.506	32%	0.315	S	S	.	.			trans	-138	140.8	179.4	-56.1	178.8	-176.8	172.3	3.4	109.9	F137 I141 I142 S230	F137-R139 WeakPolarHBondContact CB-O 3.11Å; F137-R139 PolarHBondContact O-N 3.05Å; R139-I141 WeakPolarHBondContact CB-O 3.1Å; R139-I142 HydrophobicContact CB-CG1 4.3Å; R139-S230 WeakPolarHBondContact O-CB 3.37Å; R139-S230 PolarHBondContact O-OG 3.32Å
140	S	87.8	Confident	90.9	Very high	95 Å²	95	56.8 Å²	56.8	66%	0.664	32%	0.316	S	S	*	.	S	Bend	trans	-76.6	-22.8	172	50	0	0	0	0	113.5	S230 I231	S140-S230 VanDerWaalsContact C-OG 3.28Å; S140-S230 PolarHBondContact O-OG 2.76Å; S140-I231 PolarHBondContact O-N 3.31Å
141	I	92.1	Very high	91.1	Very high	88 Å²	88	57.9 Å²	57.9	45%	0.451	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.2	171.2	-54.7	176.5	0	0	0	107.8	R139 I231 K233	R139-I141 WeakPolarHBondContact CB-O 3.1Å; I141-I231 CarbonylContact C-O 3.56Å; I141-I231 VanDerWaalsContact CA-O 3.32Å; I141-I231 WeakPolarHBondContact CA-O 3.35Å; I141-I231 HydrophobicContact CG1-CB 4.49Å; I141-K233 HydrophobicContact CG2-CB 3.96Å
142	I	91.4	Very high	91.3	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.051	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	104.8	174.7	-62.3	169	0	0	0	106.6	F137 R139 I144 I231 L232 K233	F137-I142 HydrophobicContact CD1-CD1 4.38Å; R139-I142 HydrophobicContact CB-CG1 4.3Å; I142-I144 HydrophobicContact CG2-CD1 4.47Å; I142-I144 HydrophobicContact CG2-CG1 4.09Å; I142-I231 PolarHBondContact N-O 3.4Å; I142-L232 HydrophobicContact CB-CD2 3.82Å; I142-L232 HydrophobicContact CD1-CD2 3.91Å; I142-L232 HydrophobicContact CG1-CD2 4.39Å; I142-L232 HydrophobicContact CG2-CD2 4.16Å; I142-L232 WeakPolarHBondContact O-CA 3.09Å; I142-K233 PolarHBondContact O-N 2.93Å
143	P	93.1	Very high	91.4	Very high	86 Å²	86	59.7 Å²	59.7	56%	0.558	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.4	171.4	30	-33.1	0	0	0	109.5	K233	P143-K233 WeakPolarHBondContact CA-O 3.46Å
144	I	92.6	Very high	91.6	Very high	15 Å²	15	59.7 Å²	59.7	8%	0.077	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.2	175.5	-52.8	179.2	0	0	0	107.3	I142 I146 I156 L158 L198 L232 K233 I234 S235	I142-I144 HydrophobicContact CG2-CD1 4.47Å; I142-I144 HydrophobicContact CG2-CG1 4.09Å; I144-I146 HydrophobicContact CG2-CD1 4.01Å; I144-I146 HydrophobicContact CG2-CG1 3.79Å; I144-I156 HydrophobicContact CG2-CD1 3.99Å; I144-I156 HydrophobicContact CG2-CG2 4.22Å; I144-L158 HydrophobicContact CD1-CD2 3.55Å; I144-L198 HydrophobicContact CD1-CD2 3.94Å; I144-L232 HydrophobicContact CD1-CB 4.2Å; I144-L232 HydrophobicContact CD1-CD1 4.14Å; I144-L232 HydrophobicContact CD1-CD2 4.22Å; I144-L232 HydrophobicContact CD1-CG 4.42Å; I144-K233 PolarHBondContact N-O 2.81Å; I144-I234 HydrophobicContact CB-CG1 4.26Å; I144-I234 HydrophobicContact CD1-CG1 4.4Å; I144-I234 CarbonylContact O-C 3.57Å; I144-I234 VanDerWaalsContact O-CA 3.31Å; I144-I234 WeakPolarHBondContact O-CA 3.34Å; I144-S235 PolarHBondContact O-N 2.73Å; I144-S235 PolarHBondContact O-OG 3.36Å
145	E	93.6	Very high	91.8	Very high	146 Å²	146	63.1 Å²	63.1	68%	0.682	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.1	177	-170.3	171.1	-165.1	0	0	108.5	S235	E145-S235 WeakPolarHBondContact CA-O 3.07Å
146	I	94.3	Very high	91.7	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	124	-173.9	-43.7	-177.8	0	0	0	108.5	I144 A150 I156 F182 L198 L204 I234 S235 I236 S237	I144-I146 HydrophobicContact CG2-CD1 4.01Å; I144-I146 HydrophobicContact CG2-CG1 3.79Å; I146-A150 HydrophobicContact CG2-CB 3.8Å; I146-I156 HydrophobicContact CB-CD1 4.47Å; I146-I156 HydrophobicContact CD1-CD1 3.49Å; I146-I156 VanDerWaalsContact CD1-CD1 3.49Å; I146-I156 HydrophobicContact CG1-CD1 3.53Å; I146-I156 HydrophobicContact CG2-CD1 4.26Å; I146-F182 HydrophobicContact CD1-CD1 4.43Å; I146-F182 HydrophobicContact CD1-CE1 3.56Å; I146-F182 HydrophobicContact CD1-CZ 4.15Å; I146-L198 HydrophobicContact CD1-CD2 4.39Å; I146-L204 HydrophobicContact CG2-CD1 3.87Å; I146-I234 HydrophobicContact CD1-CG2 3.53Å; I146-I234 HydrophobicContact CG1-CG2 3.89Å; I146-S235 PolarHBondContact N-O 3.43Å; I146-S235 VanDerWaalsContact N-O 3.09Å; I146-I236 CarbonylContact O-C 3.57Å; I146-I236 VanDerWaalsContact O-CA 3.24Å; I146-I236 WeakPolarHBondContact O-CA 3.06Å; I146-S237 PolarHBondContact O-N 3.3Å
147	S	93.3	Very high	91.7	Very high	35 Å²	35	62.7 Å²	62.7	25%	0.245	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.6	171.7	173.1	0	0	0	0	110.9	S149 A150 S237 S239	S147-S149 PolarHBondContact O-N 2.68Å; S147-S149 PolarHBondContact OG-N 3.19Å; S147-S149 PolarHBondContact OG-OG 2.88Å; S147-A150 WeakPolarHBondContact O-CB 3.19Å; S147-A150 PolarHBondContact O-N 3.33Å; S147-S237 WeakPolarHBondContact CA-O 3.2Å; S147-S237 WeakPolarHBondContact CA-OG 3.41Å; S147-S237 PolarHBondContact N-OG 2.97Å; S147-S239 PolarHBondContact OG-OG 2.8Å
148	E	93.8	Very high	91.7	Very high	9 Å²	9	62.4 Å²	62.4	4%	0.042	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.5	176.9	63	-114	105.7	0	0	112.9	A150 L204 R206 I236 S237 D238 S239	E148-A150 PolarHBondContact O-N 3.5Å; E148-L204 HydrophobicContact CB-CB 4.06Å; E148-R206 WeakPolarHBondContact OE2-CB 3.43Å; E148-R206 PolarHBondContact OE2-N 2.69Å; E148-I236 HydrophobicContact CB-CG2 3.83Å; E148-S237 VanDerWaalsContact OE1-O 3.13Å; E148-D238 VanDerWaalsContact OE1-C 3.24Å; E148-D238 VanDerWaalsContact OE1-CA 3.26Å; E148-D238 WeakPolarHBondContact OE1-CA 3.45Å; E148-S239 VanDerWaalsContact OE1-CB 3.27Å; E148-S239 WeakPolarHBondContact OE1-CB 3.27Å; E148-S239 PolarHBondContact OE1-N 2.68Å; E148-S239 PolarHBondContact OE1-OG 3.09Å
149	S	91.9	Very high	91.6	Very high	87 Å²	87	62 Å²	62	61%	0.608	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	3	172.2	71.9	0	0	0	0	114.3	S147 A151	S147-S149 PolarHBondContact O-N 2.68Å; S147-S149 PolarHBondContact OG-N 3.19Å; S147-S149 PolarHBondContact OG-OG 2.88Å; S149-A151 PolarHBondContact O-N 2.81Å
150	A	92.6	Very high	91.5	Very high	18 Å²	18	58.7 Å²	58.7	15%	0.149	36%	0.357	C	S	.	.			trans	-67.5	99.7	172.1	0	0	0	0	0	111.9	I146 S147 E148 T154	I146-A150 HydrophobicContact CG2-CB 3.8Å; S147-A150 WeakPolarHBondContact O-CB 3.19Å; S147-A150 PolarHBondContact O-N 3.33Å; E148-A150 PolarHBondContact O-N 3.5Å; A150-T154 HydrophobicContact CB-CG2 4.32Å
151	A	92.4	Very high	91.6	Very high	69 Å²	69	54.4 Å²	54.4	57%	0.57	33%	0.327	S	S	*	.			trans	-48.4	143.4	-179.7	0	0	0	0	0	114.3	S149 G153 T154	S149-A151 PolarHBondContact O-N 2.81Å; A151-G153 PolarHBondContact O-N 2.8Å; A151-T154 VanDerWaalsContact O-CB 3.25Å; A151-T154 WeakPolarHBondContact O-CB 3.16Å; A151-T154 PolarHBondContact O-N 3.29Å; A151-T154 PolarHBondContact O-OG1 3.01Å
152	V	92.7	Very high	91.4	Very high	74 Å²	74	56.2 Å²	56.2	45%	0.448	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	130.5	177.4	-174.5	0	0	0	0	111	E203	V152-E203 HydrophobicContact CG2-CG 3.87Å
153	G	90.3	Very high	91.4	Very high	39 Å²	39	56 Å²	56	40%	0.402	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-0.3	-171.3	0	0	0	0	0	114.6	A151 V200	A151-G153 PolarHBondContact O-N 2.8Å; G153-V200 PolarHBondContact N-O 2.85Å
154	T	92.7	Very high	91.1	Very high	50 Å²	50	53.4 Å²	53.4	31%	0.307	31%	0.314	S	S	.	.			trans	-56.9	136.8	169.2	-68	0	0	0	0	110.7	A150 A151 I199 V200	A150-T154 HydrophobicContact CB-CG2 4.32Å; A151-T154 VanDerWaalsContact O-CB 3.25Å; A151-T154 WeakPolarHBondContact O-CB 3.16Å; A151-T154 PolarHBondContact O-N 3.29Å; A151-T154 PolarHBondContact O-OG1 3.01Å; T154-I199 WeakPolarHBondContact O-CA 3.42Å; T154-V200 PolarHBondContact O-N 3.49Å; T154-V200 VanDerWaalsContact O-N 3.08Å
155	R	91.9	Very high	90.9	Very high	109 Å²	109	52.8 Å²	52.8	41%	0.411	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.4	-171.9	-72	160.7	178.3	-79.5	-9.4	110.7	E185 E197 L198 I199	R155-E185 IonicContact CZ-OE2 3.88Å; R155-E185 IonicContact NH1-OE1 3.27Å; R155-E185 IonicContact NH1-OE2 2.67Å; R155-E185 PolarHBondContact NH1-OE2 3.14Å; R155-E185 IonicContact NH2-OE2 3.41Å; R155-E185 PolarHBondContact NH2-OE2 2.73Å; R155-E197 WeakPolarHBondContact CD-OE2 3.12Å; R155-E197 IonicContact CZ-OE2 2.68Å; R155-E197 IonicContact NE-OE2 3.05Å; R155-E197 IonicContact NH1-OE2 2.56Å; R155-E197 PolarHBondContact NH1-OE2 2.79Å; R155-L198 CarbonylContact C-O 3.52Å; R155-L198 WeakPolarHBondContact CA-O 3.35Å; R155-I199 HydrophobicContact CG-CD1 4.31Å; R155-I199 HydrophobicContact CG-CG1 4.11Å
156	I	91.6	Very high	90.5	Very high	38 Å²	38	46.7 Å²	46.7	20%	0.195	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.2	177.5	-57.6	175.6	0	0	0	108.3	I144 I146 E197 L198	I144-I156 HydrophobicContact CG2-CD1 3.99Å; I144-I156 HydrophobicContact CG2-CG2 4.22Å; I146-I156 HydrophobicContact CB-CD1 4.47Å; I146-I156 HydrophobicContact CD1-CD1 3.49Å; I146-I156 VanDerWaalsContact CD1-CD1 3.49Å; I146-I156 HydrophobicContact CG1-CD1 3.53Å; I146-I156 HydrophobicContact CG2-CD1 4.26Å; I156-E197 CarbonylContact O-C 3.55Å; I156-E197 WeakPolarHBondContact O-CA 3.32Å; I156-L198 HydrophobicContact CB-CB 4.34Å; I156-L198 PolarHBondContact N-O 2.9Å; I156-L198 PolarHBondContact O-N 3.29Å
157	P	90.6	Very high	90	Very high	100 Å²	100	48.6 Å²	48.6	65%	0.649	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.2	177.7	29.2	-33.7	0	0	0	110.4
158	L	90.8	Very high	89.5	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.068	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.8	176.3	-57.5	179.6	0	0	0	110.8	I144 S160 I184 A196 L198 L216 L232	I144-L158 HydrophobicContact CD1-CD2 3.55Å; L158-S160 PolarHBondContact O-N 2.84Å; L158-I184 HydrophobicContact CD1-CG2 4.32Å; L158-A196 HydrophobicContact CB-CB 4.41Å; L158-A196 WeakPolarHBondContact CB-O 3.36Å; L158-A196 HydrophobicContact CD1-CB 4.14Å; L158-A196 PolarHBondContact N-O 3.46Å; L158-L198 HydrophobicContact CD1-CB 4.12Å; L158-L198 HydrophobicContact CD2-CB 4.1Å; L158-L198 HydrophobicContact CG-CB 4.16Å; L158-L216 HydrophobicContact CD1-CD1 4.34Å; L158-L216 HydrophobicContact CD1-CD2 4.05Å; L158-L232 HydrophobicContact CD1-CD1 4.03Å; L158-L232 HydrophobicContact CD2-CD1 4.47Å
159	D	85.6	Confident	89.1	Confident	79 Å²	79	55.2 Å²	55.2	42%	0.422	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-56.5	125.1	171.5	-83.1	-19.5	0	0	0	110.2
160	S	87.6	Confident	88.9	Confident	66 Å²	66	52.8 Å²	52.8	46%	0.462	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.7	137.4	178.8	56.5	0	0	0	0	111.5	L158 Y174	L158-S160 PolarHBondContact O-N 2.84Å; S160-Y174 WeakPolarHBondContact CA-OH 3.26Å; S160-Y174 WeakPolarHBondContact CB-OH 3.33Å
161	A	88.9	Confident	88.6	Confident	5 Å²	5	52.8 Å²	52.8	4%	0.041	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-61.2	141.5	166.3	0	0	0	0	0	109.9	P135 Q136 F137 L171 Y174 A218	P135-A161 HydrophobicContact CB-CB 4.19Å; Q136-A161 WeakPolarHBondContact O-CA 3.22Å; F137-A161 HydrophobicContact CD1-CB 4.04Å; F137-A161 HydrophobicContact CE1-CB 3.87Å; F137-A161 HydrophobicContact CE2-CB 4.43Å; F137-A161 HydrophobicContact CG-CB 4.39Å; F137-A161 HydrophobicContact CZ-CB 4.08Å; A161-L171 HydrophobicContact CB-CD1 4.35Å; A161-Y174 HydrophobicContact CB-CE1 3.99Å; A161-Y174 PolarHBondContact N-OH 2.68Å; A161-A218 HydrophobicContact CB-CB 3.58Å
162	F	88.3	Confident	88.3	Confident	126 Å²	126	53.2 Å²	53.2	55%	0.553	30%	0.303	S	S	*	.	B	Isolated β-bridge	trans	-97.3	132.2	171.8	-175	-88.8	0	0	0	109.2	Q136 P164	Q136-F162 PolarHBondContact N-O 3.26Å; Q136-F162 PolarHBondContact O-N 2.83Å; F162-P164 HydrophobicContact CE1-CG 4.16Å
163	D	90	Very high	88.2	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.027	30%	0.296	C	S	.	.			trans	-126.3	129.7	174.5	-150.7	-6	0	0	0	107.2	K100 S134 P135 L171	K100-D163 WeakPolarHBondContact CE-O 3.13Å; K100-D163 PolarHBondContact NZ-O 2.75Å; S134-D163 WeakPolarHBondContact CA-OD1 3.15Å; S134-D163 PolarHBondContact N-OD1 3Å; P135-D163 WeakPolarHBondContact CD-OD2 3.39Å; P135-D163 VanDerWaalsContact CG-OD2 3.31Å; P135-D163 WeakPolarHBondContact CG-OD2 3.28Å; D163-L171 HydrophobicContact CB-CB 4.06Å; D163-L171 PolarHBondContact OD2-N 2.87Å
164	P	87.2	Confident	88.2	Confident	32 Å²	32	50.5 Å²	50.5	21%	0.208	28%	0.279	C	S	.	.			trans	-63.9	-46.2	177.1	-25.1	36.7	0	0	0	112.9	E95 K100 N133 F162	E95-P164 HydrophobicContact CB-CB 4.48Å; E95-P164 HydrophobicContact CG-CB 3.53Å; K100-P164 PolarHBondContact NZ-O 3.24Å; N133-P164 HydrophobicContact CB-CB 4.06Å; N133-P164 HydrophobicContact CB-CG 3.62Å; F162-P164 HydrophobicContact CE1-CG 4.16Å
165	D	88.9	Confident	88.2	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.283	C	S	.	.			trans	-60.1	163.9	-167.2	-56.4	-3.8	0	0	0	113.2	N133 N169 S170	N133-D165 VanDerWaalsContact CB-OD1 3.24Å; N133-D165 WeakPolarHBondContact CB-OD1 3.29Å; N133-D165 PolarHBondContact N-OD2 2.86Å; N133-D165 PolarHBondContact ND2-OD1 2.82Å; D165-N169 HydrophobicContact CB-CB 3.99Å; D165-S170 WeakPolarHBondContact O-CB 3.33Å
166	V	84.8	Confident	88.2	Confident	19 Å²	19	47.2 Å²	47.2	12%	0.115	27%	0.272	C	S	.	.			trans	-125.5	155.9	-175.5	-57.9	0	0	0	0	114	L102 D129	L102-V166 HydrophobicContact CD2-CB 4.07Å; L102-V166 HydrophobicContact CD2-CG2 4.29Å; D129-V166 HydrophobicContact CB-CG2 4.03Å; D129-V166 WeakPolarHBondContact OD1-CG2 3.38Å; D129-V166 PolarHBondContact OD1-N 2.81Å
167	G	83.6	Confident	88.3	Confident	47 Å²	47	47.3 Å²	47.3	49%	0.485	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	-131.2	179.8	0	0	0	0	0	112.2	N169 S170	G167-N169 VanDerWaalsContact C-N 3.34Å; G167-S170 PolarHBondContact O-N 3.23Å; G167-S170 PolarHBondContact O-OG 3.21Å
168	E	83.6	Confident	88.2	Confident	155 Å²	155	49.6 Å²	49.6	72%	0.724	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.8	-175.8	-61.1	-174.5	160	0	0	113.3	S170 M221 G222	E168-S170 VanDerWaalsContact C-N 3.33Å; E168-M221 CarbonylContact O-C 3.57Å; E168-M221 WeakPolarHBondContact O-CA 3.26Å; E168-M221 VanDerWaalsContact O-CB 3.32Å; E168-M221 WeakPolarHBondContact O-CB 3.31Å; E168-M221 PolarHBondContact O-N 2.84Å; E168-M221 VanDerWaalsContact O-N 3.16Å; E168-G222 PolarHBondContact O-N 3.41Å
169	N	85.6	Confident	88.2	Confident	28 Å²	28	51 Å²	51	15%	0.15	30%	0.296	C	S	.	.	S	Bend	trans	-77.9	-18.1	172.7	-63.9	-21.9	0	0	0	112.2	D129 I130 N131 D165 G167 D220 G222	D129-N169 VanDerWaalsContact OD2-CB 3.26Å; D129-N169 WeakPolarHBondContact OD2-CB 3.47Å; D129-N169 PolarHBondContact OD2-ND2 2.6Å; I130-N169 VanDerWaalsContact C-ND2 3.31Å; I130-N169 WeakPolarHBondContact CA-ND2 3.25Å; N131-N169 HydrophobicContact CB-CB 4.11Å; N131-N169 PolarHBondContact N-ND2 2.79Å; N131-N169 WeakPolarHBondContact OD1-CA 3.04Å; N131-N169 VanDerWaalsContact OD1-CB 3.28Å; N131-N169 WeakPolarHBondContact OD1-CB 3.42Å; N131-N169 PolarHBondContact OD1-O 3.24Å; N131-N169 VanDerWaalsContact OD1-O 3.09Å; D165-N169 HydrophobicContact CB-CB 3.99Å; G167-N169 VanDerWaalsContact C-N 3.34Å; N169-D220 WeakPolarHBondContact O-CB 3.41Å; N169-G222 WeakPolarHBondContact OD1-CA 3.31Å
170	S	86.6	Confident	88.4	Confident	35 Å²	35	51.6 Å²	51.6	25%	0.245	30%	0.298	C	S	.	.	S	Bend	trans	-74.6	146.2	173.7	77.7	0	0	0	0	112.4	D165 G167 E168 H172	D165-S170 WeakPolarHBondContact O-CB 3.33Å; G167-S170 PolarHBondContact O-N 3.23Å; G167-S170 PolarHBondContact O-OG 3.21Å; E168-S170 VanDerWaalsContact C-N 3.33Å; S170-H172 PolarHBondContact O-N 3.16Å
171	L	87.7	Confident	88.7	Confident	18 Å²	18	50.7 Å²	50.7	9%	0.094	29%	0.286	C	S	.	.			trans	-12.7	101.7	168.1	176.9	65.7	0	0	0	114	P135 A161 D163 Y174 K194 A218	P135-L171 HydrophobicContact CB-CD1 4.24Å; P135-L171 HydrophobicContact CG-CD1 4.28Å; A161-L171 HydrophobicContact CB-CD1 4.35Å; D163-L171 HydrophobicContact CB-CB 4.06Å; D163-L171 PolarHBondContact OD2-N 2.87Å; L171-Y174 HydrophobicContact CD1-CE1 4.45Å; L171-Y174 HydrophobicContact CD1-CE2 4.41Å; L171-Y174 HydrophobicContact CD2-CE2 4.15Å; L171-Y174 WeakPolarHBondContact CD2-OH 3.31Å; L171-K194 HydrophobicContact CD2-CB 4.21Å; L171-K194 PolarHBondContact O-NZ 3.36Å; L171-K194 VanDerWaalsContact O-NZ 3.14Å; L171-A218 HydrophobicContact CD1-CB 3.81Å
172	H	85.9	Confident	88.9	Confident	78 Å²	78	50.7 Å²	50.7	36%	0.361	29%	0.285	S	S	.	.			trans	-88	-52.1	-177.9	-176.2	-99.2	0	0	0	112.3	S170 K194 S219 D220 M221	S170-H172 PolarHBondContact O-N 3.16Å; H172-K194 WeakPolarHBondContact O-CD 3.42Å; H172-K194 WeakPolarHBondContact O-CE 3.48Å; H172-K194 PolarHBondContact O-NZ 3.18Å; H172-S219 WeakPolarHBondContact CA-O 3.27Å; H172-S219 WeakPolarHBondContact CB-O 3.23Å; H172-S219 PolarHBondContact N-O 3.04Å; H172-D220 VanDerWaalsContact CB-C 3.47Å; H172-M221 HydrophobicContact CB-CB 3.87Å; H172-M221 HydrophobicContact CB-CG 3.79Å; H172-M221 HydrophobicContact CB-SD 4.47Å; H172-M221 PolarHBondContact CD2-SD 2.81Å; H172-M221 VanDerWaalsContact CG-CG 3.48Å; H172-M221 VanDerWaalsContact CG-SD 3.55Å
173	T	89.3	Confident	89.1	Confident	47 Å²	47	49 Å²	49	29%	0.288	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	166.3	-173.6	-168.4	0	0	0	0	112.3	S219	T173-S219 WeakPolarHBondContact CG2-OG 3.02Å; T173-S219 PolarHBondContact N-O 3.1Å; T173-S219 PolarHBondContact O-N 3.15Å
174	Y	91.9	Very high	89.3	Confident	10 Å²	10	49.9 Å²	49.9	4%	0.039	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	158.2	165.4	-57.6	-95.2	0	0	0	109.9	F137 S160 A161 L171 V186 K194 A196 L216 T217 A218	F137-Y174 HydrophobicContact CE1-CD1 4.33Å; F137-Y174 AromaticContact CE1-CE1 3.92Å; F137-Y174 HydrophobicContact CE1-CE1 3.92Å; F137-Y174 HydrophobicContact CZ-CD1 4.04Å; F137-Y174 AromaticContact CZ-CE1 3.99Å; F137-Y174 HydrophobicContact CZ-CE1 3.99Å; S160-Y174 WeakPolarHBondContact CA-OH 3.26Å; S160-Y174 WeakPolarHBondContact CB-OH 3.33Å; A161-Y174 HydrophobicContact CB-CE1 3.99Å; A161-Y174 PolarHBondContact N-OH 2.68Å; L171-Y174 HydrophobicContact CD1-CE1 4.45Å; L171-Y174 HydrophobicContact CD1-CE2 4.41Å; L171-Y174 HydrophobicContact CD2-CE2 4.15Å; L171-Y174 WeakPolarHBondContact CD2-OH 3.31Å; Y174-V186 HydrophobicContact CD2-CG1 3.99Å; Y174-V186 HydrophobicContact CD2-CG2 3.99Å; Y174-V186 HydrophobicContact CE2-CG1 4.5Å; Y174-V186 HydrophobicContact CG-CG2 4.49Å; Y174-K194 HydrophobicContact CE2-CB 4.43Å; Y174-K194 PolarHBondContact OH-O 2.83Å; Y174-A196 HydrophobicContact CD1-CB 4.49Å; Y174-A196 HydrophobicContact CD2-CB 4.01Å; Y174-A196 HydrophobicContact CE2-CB 4.43Å; Y174-A196 HydrophobicContact CG-CB 4.04Å; Y174-L216 HydrophobicContact CD1-CD1 4.43Å; Y174-L216 HydrophobicContact CD1-CD2 4.47Å; Y174-T217 CarbonylContact C-O 3.33Å; Y174-T217 WeakPolarHBondContact CA-O 3.37Å; Y174-A218 HydrophobicContact CD1-CB 3.83Å; Y174-A218 HydrophobicContact CE1-CB 3.89Å
175	S	91	Very high	89.5	Confident	58 Å²	58	51.4 Å²	51.4	41%	0.406	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.2	171.9	54.9	0	0	0	0	108.9	T217	S175-T217 PolarHBondContact N-O 2.75Å; S175-T217 PolarHBondContact O-N 3.07Å; S175-T217 PolarHBondContact OG-O 2.72Å
176	L	93.8	Very high	89.6	Confident	32 Å²	32	53.8 Å²	53.8	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146	177.3	-173.5	69.4	0	0	0	109.3	T178 F182 I184 L198 L214 Q215 L216 L232	L176-T178 PolarHBondContact O-N 2.82Å; L176-F182 HydrophobicContact CD2-CB 4.22Å; L176-I184 HydrophobicContact CB-CD1 4.08Å; L176-I184 HydrophobicContact CB-CG1 4.02Å; L176-I184 HydrophobicContact CB-CG2 4.16Å; L176-I184 HydrophobicContact CD2-CG2 4.16Å; L176-L198 HydrophobicContact CD2-CD1 3.88Å; L176-L214 HydrophobicContact CD1-CB 3.95Å; L176-L214 HydrophobicContact CD2-CD1 4.22Å; L176-Q215 CarbonylContact C-O 3.6Å; L176-L216 HydrophobicContact CD1-CB 4.46Å; L176-L216 HydrophobicContact CD1-CD1 4.44Å; L176-L232 HydrophobicContact CD1-CD1 3.79Å
177	S	92.4	Very high	89.6	Confident	39 Å²	39	56.6 Å²	56.6	27%	0.273	31%	0.314	S	S	.	.			trans	-54.4	133.9	170.8	54.4	0	0	0	0	111.9	N179 L214 Q215	S177-N179 PolarHBondContact O-N 2.88Å; S177-N179 PolarHBondContact O-ND2 2.94Å; S177-L214 WeakPolarHBondContact OG-CA 3.34Å; S177-L214 WeakPolarHBondContact OG-CB 3.18Å; S177-Q215 PolarHBondContact N-O 3.09Å; S177-Q215 PolarHBondContact OG-N 3.37Å
178	T	88.4	Confident	89.7	Confident	148 Å²	148	58.7 Å²	58.7	91%	0.908	32%	0.317	S	S	*	.			trans	-53.6	119.4	-179.1	50.3	0	0	0	0	111.8	L176	L176-T178 PolarHBondContact O-N 2.82Å
179	N	91.2	Very high	89.6	Confident	44 Å²	44	58 Å²	58	24%	0.235	31%	0.308	C	S	.	.			trans	-155.5	168.1	178.5	79.4	95.1	0	0	0	110	S177 F181 F182 L214	S177-N179 PolarHBondContact O-N 2.88Å; S177-N179 PolarHBondContact O-ND2 2.94Å; N179-F181 PolarHBondContact OD1-N 2.85Å; N179-F181 VanDerWaalsContact OD1-N 3.1Å; N179-F182 PolarHBondContact ND2-O 2.87Å; N179-F182 PolarHBondContact OD1-N 3.38Å; N179-F182 PolarHBondContact OD1-O 2.83Å; N179-L214 HydrophobicContact CB-CD2 3.85Å
180	D	90.8	Very high	89.3	Confident	90 Å²	90	64.1 Å²	64.1	48%	0.481	35%	0.346	S	S	.	.	S	Bend	trans	-97.5	-10.7	-169.3	-92.5	42.5	0	0	0	115	R202	D180-R202 WeakPolarHBondContact O-CD 3.44Å; D180-R202 WeakPolarHBondContact O-CG 3.48Å; D180-R202 PolarHBondContact O-NE 2.89Å; D180-R202 IonicContact OD2-CZ 3.8Å; D180-R202 IonicContact OD2-NH1 2.76Å; D180-R202 PolarHBondContact OD2-NH1 2.94Å; D180-R202 IonicContact OD2-NH2 3.97Å; D180-R202 PolarHBondContact OD2-NH2 3.04Å
181	F	92.1	Very high	88.6	Confident	47 Å²	47	67.1 Å²	67.1	21%	0.206	36%	0.36	C	S	.	.	S	Bend	trans	-115.2	-26.8	-167.2	-66.4	-93.8	0	0	0	113.6	N179 V201 R202 L204 Y212	N179-F181 PolarHBondContact OD1-N 2.85Å; N179-F181 VanDerWaalsContact OD1-N 3.1Å; F181-V201 VanDerWaalsContact C-CG2 3.43Å; F181-V201 VanDerWaalsContact O-CG2 3.31Å; F181-V201 WeakPolarHBondContact O-CG2 3.47Å; F181-V201 PolarHBondContact O-N 3.16Å; F181-R202 HydrophobicContact CD1-CB 4.07Å; F181-L204 HydrophobicContact CB-CD2 4.21Å; F181-L204 HydrophobicContact CD1-CD2 4.05Å; F181-Y212 HydrophobicContact CB-CE1 4.4Å; F181-Y212 AromaticContact CD2-CE1 3.68Å; F181-Y212 HydrophobicContact CD2-CE1 3.68Å; F181-Y212 HydrophobicContact CE2-CE1 4.1Å; F181-Y212 HydrophobicContact CG-CE1 4.06Å
182	F	94.1	Very high	88	Confident	5 Å²	5	68.6 Å²	68.6	2%	0.022	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.6	-175.4	-55.8	-81.2	0	0	0	111.8	I146 L176 N179 L198 I199 V200 L204 Y212 L214 I234 I236	I146-F182 HydrophobicContact CD1-CD1 4.43Å; I146-F182 HydrophobicContact CD1-CE1 3.56Å; I146-F182 HydrophobicContact CD1-CZ 4.15Å; L176-F182 HydrophobicContact CD2-CB 4.22Å; N179-F182 PolarHBondContact ND2-O 2.87Å; N179-F182 PolarHBondContact OD1-N 3.38Å; N179-F182 PolarHBondContact OD1-O 2.83Å; F182-L198 HydrophobicContact CB-CD1 4.01Å; F182-L198 HydrophobicContact CB-CG 4.45Å; F182-L198 HydrophobicContact CD1-CD2 4.07Å; F182-L198 HydrophobicContact CD1-CG 4.27Å; F182-I199 WeakPolarHBondContact CA-O 3.2Å; F182-V200 HydrophobicContact CD1-CG2 4.39Å; F182-V200 HydrophobicContact CE1-CG2 4.16Å; F182-L204 HydrophobicContact CE1-CD1 4.09Å; F182-L204 HydrophobicContact CE1-CD2 4.12Å; F182-L204 HydrophobicContact CE2-CD2 4.1Å; F182-L204 HydrophobicContact CZ-CD1 4.08Å; F182-L204 HydrophobicContact CZ-CD2 3.53Å; F182-L204 HydrophobicContact CZ-CG 4.47Å; F182-Y212 HydrophobicContact CE2-CD1 4.01Å; F182-Y212 AromaticContact CE2-CD2 3.92Å; F182-Y212 HydrophobicContact CE2-CD2 3.92Å; F182-Y212 HydrophobicContact CE2-CE1 4.33Å; F182-Y212 HydrophobicContact CE2-CE2 4.27Å; F182-Y212 AromaticContact CE2-CG 3.83Å; F182-Y212 HydrophobicContact CE2-CG 3.83Å; F182-Y212 HydrophobicContact CZ-CD2 4.44Å; F182-L214 HydrophobicContact CB-CD1 4.07Å; F182-L214 HydrophobicContact CD2-CD1 3.78Å; F182-L214 HydrophobicContact CG-CD1 4.2Å; F182-I234 HydrophobicContact CD1-CD1 4.18Å; F182-I234 HydrophobicContact CD2-CD1 3.93Å; F182-I234 HydrophobicContact CE1-CD1 4.12Å; F182-I234 HydrophobicContact CE2-CD1 3.86Å; F182-I234 HydrophobicContact CG-CD1 4.08Å; F182-I234 HydrophobicContact CZ-CD1 3.95Å; F182-I234 HydrophobicContact CZ-CG2 4.07Å; F182-I236 HydrophobicContact CZ-CD1 4.41Å
183	N	93.2	Very high	87.6	Confident	92 Å²	92	66.6 Å²	66.6	49%	0.492	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	172.6	170.5	-168.8	16.6	0	0	0	109.9	I199 V201	N183-I199 PolarHBondContact N-O 2.99Å; N183-I199 PolarHBondContact O-N 2.92Å; N183-V201 HydrophobicContact CB-CG1 3.66Å; N183-V201 HydrophobicContact CB-CG2 4.47Å
184	I	93.2	Very high	87.3	Confident	22 Å²	22	66.7 Å²	66.7	11%	0.113	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.6	169.8	53.3	166.8	0	0	0	112	L158 L176 E197 L198 L216	L158-I184 HydrophobicContact CD1-CG2 4.32Å; L176-I184 HydrophobicContact CB-CD1 4.08Å; L176-I184 HydrophobicContact CB-CG1 4.02Å; L176-I184 HydrophobicContact CB-CG2 4.16Å; L176-I184 HydrophobicContact CD2-CG2 4.16Å; I184-E197 CarbonylContact C-O 3.59Å; I184-E197 VanDerWaalsContact CA-O 3.31Å; I184-E197 WeakPolarHBondContact CA-O 3.22Å; I184-L198 HydrophobicContact CG2-CD1 3.93Å; I184-L216 HydrophobicContact CD1-CD1 4.16Å; I184-L216 HydrophobicContact CG2-CD1 4.5Å
185	E	91.1	Very high	87	Confident	65 Å²	65	69.7 Å²	69.7	30%	0.304	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.9	167.4	-169.1	-176.8	143.7	0	0	108.8	R155 R187 E197 I199	R155-E185 IonicContact CZ-OE2 3.88Å; R155-E185 IonicContact NH1-OE1 3.27Å; R155-E185 IonicContact NH1-OE2 2.67Å; R155-E185 PolarHBondContact NH1-OE2 3.14Å; R155-E185 IonicContact NH2-OE2 3.41Å; R155-E185 PolarHBondContact NH2-OE2 2.73Å; E185-R187 HydrophobicContact CG-CG 4.38Å; E185-R187 IonicContact OE1-CZ 3.55Å; E185-R187 IonicContact OE1-NE 3.65Å; E185-R187 PolarHBondContact OE1-NE 2.69Å; E185-R187 IonicContact OE1-NH2 3.71Å; E185-R187 PolarHBondContact OE1-NH2 3.05Å; E185-R187 IonicContact OE2-NH2 2.84Å; E185-E197 PolarHBondContact N-O 2.61Å; E185-E197 PolarHBondContact O-N 3.21Å; E185-I199 HydrophobicContact CB-CD1 3.62Å; E185-I199 HydrophobicContact CB-CG1 4.45Å; E185-I199 WeakPolarHBondContact OE2-CD1 3.33Å
186	V	90.6	Very high	87	Confident	50 Å²	50	67 Å²	67	30%	0.303	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.3	176.7	-178.1	0	0	0	0	109.2	Y174	Y174-V186 HydrophobicContact CD2-CG1 3.99Å; Y174-V186 HydrophobicContact CD2-CG2 3.99Å; Y174-V186 HydrophobicContact CE2-CG1 4.5Å; Y174-V186 HydrophobicContact CG-CG2 4.49Å
187	R	86.2	Confident	86.9	Confident	79 Å²	79	66.3 Å²	66.3	30%	0.298	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.8	-176.5	-77.3	176.6	166	-167.5	-4	111.8	E185 K194 Y195 E197	E185-R187 HydrophobicContact CG-CG 4.38Å; E185-R187 IonicContact OE1-CZ 3.55Å; E185-R187 IonicContact OE1-NE 3.65Å; E185-R187 PolarHBondContact OE1-NE 2.69Å; E185-R187 IonicContact OE1-NH2 3.71Å; E185-R187 PolarHBondContact OE1-NH2 3.05Å; E185-R187 IonicContact OE2-NH2 2.84Å; R187-K194 WeakPolarHBondContact O-CA 3.45Å; R187-Y195 HydrophobicContact CB-CD1 4.26Å; R187-Y195 HydrophobicContact CB-CE1 3.66Å; R187-Y195 HydrophobicContact CB-CE2 4.15Å; R187-Y195 PolarHBondContact N-O 2.98Å; R187-Y195 VanDerWaalsContact O-CD1 3.29Å; R187-Y195 WeakPolarHBondContact O-CD1 3.32Å; R187-Y195 PolarHBondContact O-N 2.79Å; R187-E197 WeakPolarHBondContact CD-OE1 3.45Å; R187-E197 IonicContact CZ-OE1 2.58Å; R187-E197 IonicContact CZ-OE2 2.78Å; R187-E197 IonicContact NE-OE1 3.14Å; R187-E197 IonicContact NE-OE2 2.66Å; R187-E197 VanDerWaalsContact NH1-CD 3.27Å; R187-E197 IonicContact NH1-OE1 2.81Å; R187-E197 PolarHBondContact NH1-OE1 2.82Å; R187-E197 IonicContact NH1-OE2 2.58Å; R187-E197 PolarHBondContact NH1-OE2 2.93Å
188	T	85.4	Confident	87	Confident	90 Å²	90	64.6 Å²	64.6	55%	0.552	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.2	176.9	-48	0	0	0	0	108.9	K194	T188-K194 HydrophobicContact CG2-CG 4.32Å
189	R	80.8	Confident	87.2	Confident	142 Å²	142	58.4 Å²	58.4	54%	0.536	31%	0.311	S	S	.	.			trans	-75.6	165	175.1	-172.6	172	70.3	-170	4	110.4	D191 G192 A193 Y195	R189-D191 VanDerWaalsContact CB-OD1 3.23Å; R189-D191 WeakPolarHBondContact CB-OD1 3.36Å; R189-D191 VanDerWaalsContact CG-OD1 3.27Å; R189-D191 WeakPolarHBondContact CG-OD1 3.44Å; R189-D191 IonicContact CZ-OD1 3.99Å; R189-D191 IonicContact CZ-OD2 3.98Å; R189-D191 IonicContact NE-OD1 2.73Å; R189-D191 PolarHBondContact NE-OD1 2.94Å; R189-D191 IonicContact NE-OD2 3.6Å; R189-D191 PolarHBondContact NE-OD2 2.88Å; R189-D191 IonicContact NH2-OD1 3.81Å; R189-D191 IonicContact NH2-OD2 3.21Å; R189-D191 PolarHBondContact NH2-OD2 2.88Å; R189-D191 PolarHBondContact O-N 3.44Å; R189-D191 VanDerWaalsContact O-N 3.07Å; R189-G192 PolarHBondContact O-N 2.96Å; R189-A193 PolarHBondContact N-O 2.84Å; R189-Y195 HydrophobicContact CB-CE1 4.33Å
190	T	78.9	Confident	87.4	Confident	155 Å²	155	56.4 Å²	56.4	95%	0.951	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.8	-175.7	46.1	0	0	0	0	115.3
191	D	72.5	Confident	87.5	Confident	98 Å²	98	55 Å²	55	52%	0.524	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6	172.8	61.9	-23	0	0	0	113.4	R189 A193	R189-D191 VanDerWaalsContact CB-OD1 3.23Å; R189-D191 WeakPolarHBondContact CB-OD1 3.36Å; R189-D191 VanDerWaalsContact CG-OD1 3.27Å; R189-D191 WeakPolarHBondContact CG-OD1 3.44Å; R189-D191 IonicContact CZ-OD1 3.99Å; R189-D191 IonicContact CZ-OD2 3.98Å; R189-D191 IonicContact NE-OD1 2.73Å; R189-D191 PolarHBondContact NE-OD1 2.94Å; R189-D191 IonicContact NE-OD2 3.6Å; R189-D191 PolarHBondContact NE-OD2 2.88Å; R189-D191 IonicContact NH2-OD1 3.81Å; R189-D191 IonicContact NH2-OD2 3.21Å; R189-D191 PolarHBondContact NH2-OD2 2.88Å; R189-D191 PolarHBondContact O-N 3.44Å; R189-D191 VanDerWaalsContact O-N 3.07Å; D191-A193 VanDerWaalsContact C-N 3.31Å; D191-A193 PolarHBondContact OD1-N 2.78Å
192	G	74.4	Confident	87.5	Confident	49 Å²	49	58.6 Å²	58.6	51%	0.505	31%	0.307	S	S	.	.	S	Bend	trans	85	-5.7	-178	0	0	0	0	0	114.7	R189 K194	R189-G192 PolarHBondContact O-N 2.96Å; G192-K194 PolarHBondContact O-N 3.24Å
193	A	78.3	Confident	87.4	Confident	37 Å²	37	65.8 Å²	65.8	31%	0.306	34%	0.34	S	S	.	.			trans	-70.5	130.6	-178.3	0	0	0	0	0	111.2	R189 D191	R189-A193 PolarHBondContact N-O 2.84Å; D191-A193 VanDerWaalsContact C-N 3.31Å; D191-A193 PolarHBondContact OD1-N 2.78Å
194	K	83.1	Confident	87.4	Confident	49 Å²	49	62 Å²	62	21%	0.213	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.5	179.2	-64.9	179.5	-168.6	159.7	0	111.8	L171 H172 Y174 R187 T188 G192	L171-K194 HydrophobicContact CD2-CB 4.21Å; L171-K194 PolarHBondContact O-NZ 3.36Å; L171-K194 VanDerWaalsContact O-NZ 3.14Å; H172-K194 WeakPolarHBondContact O-CD 3.42Å; H172-K194 WeakPolarHBondContact O-CE 3.48Å; H172-K194 PolarHBondContact O-NZ 3.18Å; Y174-K194 HydrophobicContact CE2-CB 4.43Å; Y174-K194 PolarHBondContact OH-O 2.83Å; R187-K194 WeakPolarHBondContact O-CA 3.45Å; T188-K194 HydrophobicContact CG2-CG 4.32Å; G192-K194 PolarHBondContact O-N 3.24Å
195	Y	86.1	Confident	87.5	Confident	72 Å²	72	64 Å²	64	28%	0.282	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	168.1	173.7	70.1	-78.5	0	0	0	110.1	R187 R189 E197	R187-Y195 HydrophobicContact CB-CD1 4.26Å; R187-Y195 HydrophobicContact CB-CE1 3.66Å; R187-Y195 HydrophobicContact CB-CE2 4.15Å; R187-Y195 PolarHBondContact N-O 2.98Å; R187-Y195 VanDerWaalsContact O-CD1 3.29Å; R187-Y195 WeakPolarHBondContact O-CD1 3.32Å; R187-Y195 PolarHBondContact O-N 2.79Å; R189-Y195 HydrophobicContact CB-CE1 4.33Å; Y195-E197 HydrophobicContact CD2-CG 4.38Å; Y195-E197 HydrophobicContact CE2-CG 3.79Å; Y195-E197 PolarHBondContact OH-OE1 2.93Å
196	A	90.4	Very high	87.6	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.4	176.3	0	0	0	0	0	110.4	L158 Y174	L158-A196 HydrophobicContact CB-CB 4.41Å; L158-A196 WeakPolarHBondContact CB-O 3.36Å; L158-A196 HydrophobicContact CD1-CB 4.14Å; L158-A196 PolarHBondContact N-O 3.46Å; Y174-A196 HydrophobicContact CD1-CB 4.49Å; Y174-A196 HydrophobicContact CD2-CB 4.01Å; Y174-A196 HydrophobicContact CE2-CB 4.43Å; Y174-A196 HydrophobicContact CG-CB 4.04Å
197	E	92.4	Very high	87.8	Confident	19 Å²	19	63.2 Å²	63.2	9%	0.089	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.4	163.2	-67	175.9	-163.6	0	0	108	R155 I156 I184 E185 R187 Y195	R155-E197 WeakPolarHBondContact CD-OE2 3.12Å; R155-E197 IonicContact CZ-OE2 2.68Å; R155-E197 IonicContact NE-OE2 3.05Å; R155-E197 IonicContact NH1-OE2 2.56Å; R155-E197 PolarHBondContact NH1-OE2 2.79Å; I156-E197 CarbonylContact O-C 3.55Å; I156-E197 WeakPolarHBondContact O-CA 3.32Å; I184-E197 CarbonylContact C-O 3.59Å; I184-E197 VanDerWaalsContact CA-O 3.31Å; I184-E197 WeakPolarHBondContact CA-O 3.22Å; E185-E197 PolarHBondContact N-O 2.61Å; E185-E197 PolarHBondContact O-N 3.21Å; R187-E197 WeakPolarHBondContact CD-OE1 3.45Å; R187-E197 IonicContact CZ-OE1 2.58Å; R187-E197 IonicContact CZ-OE2 2.78Å; R187-E197 IonicContact NE-OE1 3.14Å; R187-E197 IonicContact NE-OE2 2.66Å; R187-E197 VanDerWaalsContact NH1-CD 3.27Å; R187-E197 IonicContact NH1-OE1 2.81Å; R187-E197 PolarHBondContact NH1-OE1 2.82Å; R187-E197 IonicContact NH1-OE2 2.58Å; R187-E197 PolarHBondContact NH1-OE2 2.93Å; Y195-E197 HydrophobicContact CD2-CG 4.38Å; Y195-E197 HydrophobicContact CE2-CG 3.79Å; Y195-E197 PolarHBondContact OH-OE1 2.93Å
198	L	93.6	Very high	88.1	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	132.2	166.4	-168.9	73.5	0	0	0	108.2	I144 I146 R155 I156 L158 L176 F182 I184 L232 I234	I144-L198 HydrophobicContact CD1-CD2 3.94Å; I146-L198 HydrophobicContact CD1-CD2 4.39Å; R155-L198 CarbonylContact C-O 3.52Å; R155-L198 WeakPolarHBondContact CA-O 3.35Å; I156-L198 HydrophobicContact CB-CB 4.34Å; I156-L198 PolarHBondContact N-O 2.9Å; I156-L198 PolarHBondContact O-N 3.29Å; L158-L198 HydrophobicContact CD1-CB 4.12Å; L158-L198 HydrophobicContact CD2-CB 4.1Å; L158-L198 HydrophobicContact CG-CB 4.16Å; L176-L198 HydrophobicContact CD2-CD1 3.88Å; F182-L198 HydrophobicContact CB-CD1 4.01Å; F182-L198 HydrophobicContact CB-CG 4.45Å; F182-L198 HydrophobicContact CD1-CD2 4.07Å; F182-L198 HydrophobicContact CD1-CG 4.27Å; I184-L198 HydrophobicContact CG2-CD1 3.93Å; L198-L232 HydrophobicContact CD1-CD1 4.07Å; L198-I234 HydrophobicContact CD2-CD1 3.93Å
199	I	93.4	Very high	88.4	Confident	18 Å²	18	65.9 Å²	65.9	9%	0.092	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.8	-177.3	-55.4	-170.9	0	0	0	109.6	T154 R155 F182 N183 E185 V201	T154-I199 WeakPolarHBondContact O-CA 3.42Å; R155-I199 HydrophobicContact CG-CD1 4.31Å; R155-I199 HydrophobicContact CG-CG1 4.11Å; F182-I199 WeakPolarHBondContact CA-O 3.2Å; N183-I199 PolarHBondContact N-O 2.99Å; N183-I199 PolarHBondContact O-N 2.92Å; E185-I199 HydrophobicContact CB-CD1 3.62Å; E185-I199 HydrophobicContact CB-CG1 4.45Å; E185-I199 WeakPolarHBondContact OE2-CD1 3.33Å; I199-V201 HydrophobicContact CG2-CG1 4.21Å; I199-V201 PolarHBondContact O-N 3.43Å
200	V	94.4	Very high	89	Confident	2 Å²	2	62 Å²	62	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	117.6	169.7	-179.9	0	0	0	0	108.4	G153 T154 F182 R202 L204	G153-V200 PolarHBondContact N-O 2.85Å; T154-V200 PolarHBondContact O-N 3.49Å; T154-V200 VanDerWaalsContact O-N 3.08Å; F182-V200 HydrophobicContact CD1-CG2 4.39Å; F182-V200 HydrophobicContact CE1-CG2 4.16Å; V200-R202 WeakPolarHBondContact CG1-O 3.37Å; V200-L204 HydrophobicContact CG1-CD1 4.01Å; V200-L204 HydrophobicContact CG1-CG 4.13Å; V200-L204 HydrophobicContact CG2-CD1 4.17Å
201	V	92.9	Very high	89.7	Confident	61 Å²	61	57.2 Å²	57.2	37%	0.37	30%	0.302	S	S	.	.			trans	-111.9	-6.1	-176.2	-65.6	0	0	0	0	114.5	F181 N183 I199	F181-V201 VanDerWaalsContact C-CG2 3.43Å; F181-V201 VanDerWaalsContact O-CG2 3.31Å; F181-V201 WeakPolarHBondContact O-CG2 3.47Å; F181-V201 PolarHBondContact O-N 3.16Å; N183-V201 HydrophobicContact CB-CG1 3.66Å; N183-V201 HydrophobicContact CB-CG2 4.47Å; I199-V201 HydrophobicContact CG2-CG1 4.21Å; I199-V201 PolarHBondContact O-N 3.43Å
202	R	92.3	Very high	90.6	Very high	122 Å²	122	53 Å²	53	46%	0.46	28%	0.279	S	S	.	.	S	Bend	trans	-139.5	161	165.4	-68.1	-170.6	-170.8	157	16.7	109.1	D180 F181 V200	D180-R202 WeakPolarHBondContact O-CD 3.44Å; D180-R202 WeakPolarHBondContact O-CG 3.48Å; D180-R202 PolarHBondContact O-NE 2.89Å; D180-R202 IonicContact OD2-CZ 3.8Å; D180-R202 IonicContact OD2-NH1 2.76Å; D180-R202 PolarHBondContact OD2-NH1 2.94Å; D180-R202 IonicContact OD2-NH2 3.97Å; D180-R202 PolarHBondContact OD2-NH2 3.04Å; F181-R202 HydrophobicContact CD1-CB 4.07Å; V200-R202 WeakPolarHBondContact CG1-O 3.37Å
203	E	92.4	Very high	91.6	Very high	156 Å²	156	56.5 Å²	56.5	73%	0.729	28%	0.282	S	S	*	.			trans	-55.8	148.4	168.5	-75.1	142.8	-171.4	0	0	110.4	V152	V152-E203 HydrophobicContact CG2-CG 3.87Å
204	L	93.6	Very high	92.3	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.068	27%	0.271	C	S	.	.			trans	-109	158.3	-179	-64.3	171.1	0	0	0	108.1	I146 E148 F181 F182 V200 I236	I146-L204 HydrophobicContact CG2-CD1 3.87Å; E148-L204 HydrophobicContact CB-CB 4.06Å; F181-L204 HydrophobicContact CB-CD2 4.21Å; F181-L204 HydrophobicContact CD1-CD2 4.05Å; F182-L204 HydrophobicContact CE1-CD1 4.09Å; F182-L204 HydrophobicContact CE1-CD2 4.12Å; F182-L204 HydrophobicContact CE2-CD2 4.1Å; F182-L204 HydrophobicContact CZ-CD1 4.08Å; F182-L204 HydrophobicContact CZ-CD2 3.53Å; F182-L204 HydrophobicContact CZ-CG 4.47Å; V200-L204 HydrophobicContact CG1-CD1 4.01Å; V200-L204 HydrophobicContact CG1-CG 4.13Å; V200-L204 HydrophobicContact CG2-CD1 4.17Å; L204-I236 HydrophobicContact CD1-CD1 4.18Å; L204-I236 HydrophobicContact CD2-CD1 4.33Å
205	D	93.9	Very high	92.8	Very high	65 Å²	65	58 Å²	58	35%	0.348	28%	0.284	S	S	.	.			trans	-161.4	110.6	-166.7	170	-20.8	0	0	0	106	E207 L208 K209	D205-E207 PolarHBondContact OD1-N 3.19Å; D205-L208 HydrophobicContact CB-CB 4.18Å; D205-L208 WeakPolarHBondContact OD1-CB 3.36Å; D205-L208 PolarHBondContact OD1-N 3.45Å; D205-L208 VanDerWaalsContact OD2-CB 3.31Å; D205-L208 WeakPolarHBondContact OD2-CB 3.45Å; D205-K209 CarbonylContact O-C 3.54Å; D205-K209 PolarHBondContact O-N 3.02Å
206	R	94.4	Very high	93.2	Very high	30 Å²	30	54.6 Å²	54.6	11%	0.113	27%	0.27	C	S	.	.	H	α-helix	trans	-79.1	-33.5	-175.5	-177.5	-154.8	67.8	109.6	2	111.3	E148 L208 K209 S210 I236 D238 P273 E275	E148-R206 WeakPolarHBondContact OE2-CB 3.43Å; E148-R206 PolarHBondContact OE2-N 2.69Å; R206-L208 VanDerWaalsContact C-N 3.34Å; R206-K209 CarbonylContact O-C 3.16Å; R206-K209 PolarHBondContact O-N 2.84Å; R206-K209 VanDerWaalsContact O-N 3.15Å; R206-S210 PolarHBondContact O-N 2.88Å; R206-I236 HydrophobicContact CB-CB 4.27Å; R206-I236 HydrophobicContact CB-CG2 3.88Å; R206-I236 HydrophobicContact CG-CB 4.41Å; R206-I236 HydrophobicContact CG-CG2 4.46Å; R206-D238 IonicContact CZ-OD1 3.37Å; R206-D238 IonicContact NE-OD1 2.7Å; R206-D238 PolarHBondContact NE-OD1 2.84Å; R206-D238 IonicContact NH1-OD1 3.67Å; R206-D238 IonicContact NH2-OD1 3.57Å; R206-D238 PolarHBondContact NH2-OD1 2.91Å; R206-P273 PolarHBondContact NH2-O 3.22Å; R206-E275 IonicContact CZ-OE2 2.71Å; R206-E275 VanDerWaalsContact NH1-CB 3.34Å; R206-E275 IonicContact NH1-OE2 2.67Å; R206-E275 PolarHBondContact NH1-OE2 3.05Å
207	E	94	Very high	93.3	Very high	68 Å²	68	55.8 Å²	55.8	32%	0.318	28%	0.278	S	S	.	.	H	α-helix	trans	-64.8	-41.2	-177.9	-66.8	57	-115.5	0	0	110	D205 P273	D205-E207 PolarHBondContact OD1-N 3.19Å; E207-P273 HydrophobicContact CG-CB 3.86Å; E207-P273 HydrophobicContact CG-CG 4.1Å
208	L	92.5	Very high	93.3	Very high	129 Å²	129	54.9 Å²	54.9	68%	0.675	27%	0.274	S	S	*	.	H	α-helix	trans	-71.9	-46.6	168	-171	84	0	0	0	111.3	D205 R206	D205-L208 HydrophobicContact CB-CB 4.18Å; D205-L208 WeakPolarHBondContact OD1-CB 3.36Å; D205-L208 PolarHBondContact OD1-N 3.45Å; D205-L208 VanDerWaalsContact OD2-CB 3.31Å; D205-L208 WeakPolarHBondContact OD2-CB 3.45Å; R206-L208 VanDerWaalsContact C-N 3.34Å
209	K	92	Very high	93.1	Very high	96 Å²	96	55.5 Å²	55.5	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-160.1	90	-176.7	-166.4	172.3	166.8	-170.7	0	116.2	D205 R206 S211 Y212	D205-K209 CarbonylContact O-C 3.54Å; D205-K209 PolarHBondContact O-N 3.02Å; R206-K209 CarbonylContact O-C 3.16Å; R206-K209 PolarHBondContact O-N 2.84Å; R206-K209 VanDerWaalsContact O-N 3.15Å; K209-S211 VanDerWaalsContact C-N 3.28Å; K209-S211 WeakPolarHBondContact CE-O 3.21Å; K209-S211 PolarHBondContact O-N 3.09Å; K209-S211 VanDerWaalsContact O-N 3.09Å; K209-Y212 HydrophobicContact CB-CE2 4.38Å; K209-Y212 HydrophobicContact CD-CD1 4.29Å; K209-Y212 HydrophobicContact CD-CE1 3.72Å; K209-Y212 HydrophobicContact CD-CE2 4.19Å; K209-Y212 HydrophobicContact CG-CE1 4.49Å; K209-Y212 HydrophobicContact CG-CE2 4.07Å; K209-Y212 VanDerWaalsContact NZ-CD1 3.32Å; K209-Y212 WeakPolarHBondContact O-CE2 3.48Å
210	S	92.4	Very high	92.9	Very high	59 Å²	59	54.7 Å²	54.7	41%	0.413	27%	0.274	S	S	.	.	S	Bend	trans	-62	-11.4	177.9	65.8	0	0	0	0	118.2	R206 I236	R206-S210 PolarHBondContact O-N 2.88Å; S210-I236 PolarHBondContact O-N 2.88Å
211	S	93.9	Very high	92.6	Very high	56 Å²	56	59.3 Å²	59.3	39%	0.392	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	152	178.7	58	0	0	0	0	115.9	K209 I234	K209-S211 VanDerWaalsContact C-N 3.28Å; K209-S211 WeakPolarHBondContact CE-O 3.21Å; K209-S211 PolarHBondContact O-N 3.09Å; K209-S211 VanDerWaalsContact O-N 3.09Å; S211-I234 CarbonylContact C-O 3.55Å; S211-I234 VanDerWaalsContact CA-O 3.26Å; S211-I234 WeakPolarHBondContact CA-O 3.44Å; S211-I234 WeakPolarHBondContact CB-O 3.31Å
212	Y	93	Very high	92.1	Very high	8 Å²	8	56.7 Å²	56.7	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134	179.8	-60.6	-108.5	0	0	0	110.4	F181 F182 K209 I234 I236	F181-Y212 HydrophobicContact CB-CE1 4.4Å; F181-Y212 AromaticContact CD2-CE1 3.68Å; F181-Y212 HydrophobicContact CD2-CE1 3.68Å; F181-Y212 HydrophobicContact CE2-CE1 4.1Å; F181-Y212 HydrophobicContact CG-CE1 4.06Å; F182-Y212 HydrophobicContact CE2-CD1 4.01Å; F182-Y212 AromaticContact CE2-CD2 3.92Å; F182-Y212 HydrophobicContact CE2-CD2 3.92Å; F182-Y212 HydrophobicContact CE2-CE1 4.33Å; F182-Y212 HydrophobicContact CE2-CE2 4.27Å; F182-Y212 AromaticContact CE2-CG 3.83Å; F182-Y212 HydrophobicContact CE2-CG 3.83Å; F182-Y212 HydrophobicContact CZ-CD2 4.44Å; K209-Y212 HydrophobicContact CB-CE2 4.38Å; K209-Y212 HydrophobicContact CD-CD1 4.29Å; K209-Y212 HydrophobicContact CD-CE1 3.72Å; K209-Y212 HydrophobicContact CD-CE2 4.19Å; K209-Y212 HydrophobicContact CG-CE1 4.49Å; K209-Y212 HydrophobicContact CG-CE2 4.07Å; K209-Y212 VanDerWaalsContact NZ-CD1 3.32Å; K209-Y212 WeakPolarHBondContact O-CE2 3.48Å; Y212-I234 PolarHBondContact N-O 2.75Å; Y212-I234 PolarHBondContact O-N 3.35Å; Y212-I236 HydrophobicContact CD2-CD1 4.15Å; Y212-I236 HydrophobicContact CD2-CG1 4.29Å; Y212-I236 HydrophobicContact CE2-CD1 4.07Å; Y212-I236 HydrophobicContact CE2-CG1 4.04Å
213	E	93.8	Very high	91.6	Very high	123 Å²	123	57.4 Å²	57.4	58%	0.575	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.4	170.6	-62.8	-168.4	159.2	0	0	108.6	I231 L232 K233	E213-I231 HydrophobicContact CB-CG2 4.38Å; E213-L232 WeakPolarHBondContact CA-O 3.41Å; E213-K233 HydrophobicContact CG-CG 4.25Å; E213-K233 IonicContact OE1-NZ 2.82Å; E213-K233 PolarHBondContact OE1-NZ 3.08Å
214	L	93.8	Very high	91.4	Very high	13 Å²	13	54.7 Å²	54.7	7%	0.068	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.3	-173	-59	177.7	0	0	0	110.1	L176 S177 N179 F182 I231 L232 I234	L176-L214 HydrophobicContact CD1-CB 3.95Å; L176-L214 HydrophobicContact CD2-CD1 4.22Å; S177-L214 WeakPolarHBondContact OG-CA 3.34Å; S177-L214 WeakPolarHBondContact OG-CB 3.18Å; N179-L214 HydrophobicContact CB-CD2 3.85Å; F182-L214 HydrophobicContact CB-CD1 4.07Å; F182-L214 HydrophobicContact CD2-CD1 3.78Å; F182-L214 HydrophobicContact CG-CD1 4.2Å; L214-I231 CarbonylContact O-C 3.52Å; L214-L232 HydrophobicContact CB-CB 4.44Å; L214-L232 PolarHBondContact N-O 2.93Å; L214-L232 PolarHBondContact O-N 2.86Å; L214-I234 HydrophobicContact CD1-CD1 3.82Å
215	Q	93.6	Very high	91.1	Very high	104 Å²	104	60 Å²	60	49%	0.486	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.4	178.7	-173.1	175.7	-7.5	0	0	110	L176 S177 S229	L176-Q215 CarbonylContact C-O 3.6Å; S177-Q215 PolarHBondContact N-O 3.09Å; S177-Q215 PolarHBondContact OG-N 3.37Å; Q215-S229 PolarHBondContact NE2-OG 2.9Å
216	L	93.7	Very high	91	Very high	1 Å²	1	61 Å²	61	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.4	167.6	-178.1	72.4	0	0	0	108.6	F137 L158 Y174 L176 I184 S229 S230 L232	F137-L216 HydrophobicContact CE1-CD2 3.5Å; F137-L216 HydrophobicContact CE1-CG 4.26Å; F137-L216 HydrophobicContact CZ-CD2 3.54Å; F137-L216 HydrophobicContact CZ-CG 3.77Å; L158-L216 HydrophobicContact CD1-CD1 4.34Å; L158-L216 HydrophobicContact CD1-CD2 4.05Å; Y174-L216 HydrophobicContact CD1-CD1 4.43Å; Y174-L216 HydrophobicContact CD1-CD2 4.47Å; L176-L216 HydrophobicContact CD1-CB 4.46Å; L176-L216 HydrophobicContact CD1-CD1 4.44Å; I184-L216 HydrophobicContact CD1-CD1 4.16Å; I184-L216 HydrophobicContact CG2-CD1 4.5Å; L216-S229 CarbonylContact O-C 3.59Å; L216-S229 WeakPolarHBondContact O-CA 3.24Å; L216-S230 PolarHBondContact N-O 2.82Å; L216-S230 PolarHBondContact O-N 2.88Å; L216-L232 HydrophobicContact CB-CD1 4.28Å; L216-L232 HydrophobicContact CB-CD2 4.04Å; L216-L232 HydrophobicContact CB-CG 3.96Å; L216-L232 HydrophobicContact CD2-CD2 4.13Å
217	T	92.4	Very high	90.9	Very high	27 Å²	27	63 Å²	63	17%	0.166	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.5	178	-61.8	0	0	0	0	109.9	Y174 S175 G228 S229	Y174-T217 CarbonylContact C-O 3.33Å; Y174-T217 WeakPolarHBondContact CA-O 3.37Å; S175-T217 PolarHBondContact N-O 2.75Å; S175-T217 PolarHBondContact O-N 3.07Å; S175-T217 PolarHBondContact OG-O 2.72Å; T217-G228 CarbonylContact C-O 3.53Å; T217-G228 WeakPolarHBondContact CA-O 3.33Å; T217-S229 PolarHBondContact OG1-OG 3.04Å
218	A	92.2	Very high	90.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.3	171.5	0	0	0	0	0	109.4	P135 F137 A161 L171 Y174 S227 G228	P135-A218 HydrophobicContact CB-CB 3.68Å; P135-A218 HydrophobicContact CG-CB 4.47Å; F137-A218 HydrophobicContact CE2-CB 3.82Å; F137-A218 HydrophobicContact CZ-CB 3.67Å; A161-A218 HydrophobicContact CB-CB 3.58Å; L171-A218 HydrophobicContact CD1-CB 3.81Å; Y174-A218 HydrophobicContact CD1-CB 3.83Å; Y174-A218 HydrophobicContact CE1-CB 3.89Å; A218-S227 CarbonylContact O-C 3.57Å; A218-S227 WeakPolarHBondContact O-CA 3.48Å; A218-S227 WeakPolarHBondContact O-CB 3.38Å; A218-G228 PolarHBondContact N-O 2.81Å; A218-G228 PolarHBondContact O-N 3.37Å
219	S	90.8	Very high	90.8	Very high	15 Å²	15	57.1 Å²	57.1	11%	0.105	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.8	-179.1	63.2	0	0	0	0	112	H172 T173 R226	H172-S219 WeakPolarHBondContact CA-O 3.27Å; H172-S219 WeakPolarHBondContact CB-O 3.23Å; H172-S219 PolarHBondContact N-O 3.04Å; T173-S219 WeakPolarHBondContact CG2-OG 3.02Å; T173-S219 PolarHBondContact N-O 3.1Å; T173-S219 PolarHBondContact O-N 3.15Å; S219-R226 WeakPolarHBondContact CA-O 3.38Å
220	D	89.8	Confident	90.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.298	C	S	.	.			trans	-74.1	-171.1	168.1	60.2	58.5	0	0	0	112.2	N131 P135 N169 H172 G222 Q225 R226	N131-D220 VanDerWaalsContact ND2-CG 3.26Å; N131-D220 PolarHBondContact ND2-OD1 2.89Å; N131-D220 PolarHBondContact ND2-OD2 2.83Å; P135-D220 HydrophobicContact CG-CB 4.5Å; N169-D220 WeakPolarHBondContact O-CB 3.41Å; H172-D220 VanDerWaalsContact CB-C 3.47Å; D220-G222 PolarHBondContact OD1-N 3.33Å; D220-Q225 PolarHBondContact O-NE2 2.91Å; D220-Q225 VanDerWaalsContact OD1-CA 3.29Å; D220-Q225 WeakPolarHBondContact OD1-CA 3.46Å; D220-Q225 WeakPolarHBondContact OD1-CG 3.47Å; D220-R226 VanDerWaalsContact CG-N 3.32Å; D220-R226 PolarHBondContact N-O 2.79Å; D220-R226 PolarHBondContact OD1-N 2.77Å; D220-R226 WeakPolarHBondContact OD2-CA 3.29Å; D220-R226 WeakPolarHBondContact OD2-CB 3.37Å; D220-R226 PolarHBondContact OD2-N 2.73Å
221	M	86.5	Confident	90.9	Very high	100 Å²	100	53.4 Å²	53.4	49%	0.493	30%	0.297	S	S	.	.			trans	-121.7	18.8	165.7	-105.6	-172.6	67.5	0	0	112.8	E168 H172	E168-M221 CarbonylContact O-C 3.57Å; E168-M221 WeakPolarHBondContact O-CA 3.26Å; E168-M221 VanDerWaalsContact O-CB 3.32Å; E168-M221 WeakPolarHBondContact O-CB 3.31Å; E168-M221 PolarHBondContact O-N 2.84Å; E168-M221 VanDerWaalsContact O-N 3.16Å; H172-M221 HydrophobicContact CB-CB 3.87Å; H172-M221 HydrophobicContact CB-CG 3.79Å; H172-M221 HydrophobicContact CB-SD 4.47Å; H172-M221 PolarHBondContact CD2-SD 2.81Å; H172-M221 VanDerWaalsContact CG-CG 3.48Å; H172-M221 VanDerWaalsContact CG-SD 3.55Å
222	G	83	Confident	90.9	Very high	5 Å²	5	50.8 Å²	50.8	5%	0.052	28%	0.278	C	S	.	.			trans	-72.9	177.2	-177.8	0	0	0	0	0	113.9	E168 N169 D220 P224 Q225	E168-G222 PolarHBondContact O-N 3.41Å; N169-G222 WeakPolarHBondContact OD1-CA 3.31Å; D220-G222 PolarHBondContact OD1-N 3.33Å; G222-P224 CarbonylContact O-C 3.6Å; G222-Q225 WeakPolarHBondContact O-CA 3.42Å; G222-Q225 PolarHBondContact O-N 2.81Å
223	V	82.4	Confident	90.9	Very high	138 Å²	138	55 Å²	55	84%	0.836	30%	0.297	S	S	*	.	S	Bend	trans	-131.6	107.2	-179.7	-175.9	0	0	0	0	109.9
224	P	86.7	Confident	90.9	Very high	99 Å²	99	49.1 Å²	49.1	64%	0.643	27%	0.269	S	S	*	.	S	Bend	cis	-69.3	146.3	0.3	31.3	-36.1	0	0	0	112.4	N131 G222	N131-P224 PolarHBondContact ND2-O 2.86Å; G222-P224 CarbonylContact O-C 3.6Å
225	Q	88.8	Confident	91	Very high	124 Å²	124	51 Å²	51	58%	0.579	28%	0.284	S	S	*	.			trans	-68.6	136.8	176.4	-165.1	-171.6	17.3	0	0	110.1	D220 G222	D220-Q225 PolarHBondContact O-NE2 2.91Å; D220-Q225 VanDerWaalsContact OD1-CA 3.29Å; D220-Q225 WeakPolarHBondContact OD1-CA 3.46Å; D220-Q225 WeakPolarHBondContact OD1-CG 3.47Å; G222-Q225 WeakPolarHBondContact O-CA 3.42Å; G222-Q225 PolarHBondContact O-N 2.81Å
226	R	90.9	Very high	91	Very high	86 Å²	86	46.6 Å²	46.6	33%	0.325	26%	0.263	S	S	.	.			trans	-125.6	167.9	178.6	-58.6	165.5	62.9	168.7	-18	110.5	N131 D132 N133 S134 S219 D220	N131-R226 WeakPolarHBondContact O-CD 3.31Å; N131-R226 PolarHBondContact O-NH1 3.5Å; N131-R226 VanDerWaalsContact O-NH1 3.15Å; D132-R226 VanDerWaalsContact CA-NH1 3.28Å; D132-R226 PolarHBondContact O-NH1 2.85Å; D132-R226 PolarHBondContact O-NH2 2.86Å; N133-R226 VanDerWaalsContact O-CD 3.28Å; N133-R226 WeakPolarHBondContact O-CD 2.88Å; N133-R226 PolarHBondContact O-NE 2.93Å; N133-R226 PolarHBondContact O-NH1 3.24Å; N133-R226 PolarHBondContact O-NH2 3.02Å; S134-R226 PolarHBondContact OG-NH2 2.71Å; S219-R226 WeakPolarHBondContact CA-O 3.38Å; D220-R226 VanDerWaalsContact CG-N 3.32Å; D220-R226 PolarHBondContact N-O 2.79Å; D220-R226 PolarHBondContact OD1-N 2.77Å; D220-R226 WeakPolarHBondContact OD2-CA 3.29Å; D220-R226 WeakPolarHBondContact OD2-CB 3.37Å; D220-R226 PolarHBondContact OD2-N 2.73Å
227	S	92.1	Very high	91	Very high	71 Å²	71	48 Å²	48	50%	0.497	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	155.6	-174.6	54	0	0	0	0	111.6	A218	A218-S227 CarbonylContact O-C 3.57Å; A218-S227 WeakPolarHBondContact O-CA 3.48Å; A218-S227 WeakPolarHBondContact O-CB 3.38Å
228	G	91.6	Very high	91.1	Very high	17 Å²	17	48.6 Å²	48.6	18%	0.175	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	154.3	166.9	0	0	0	0	0	110.5	P135 T217 A218	P135-G228 VanDerWaalsContact O-CA 3.25Å; P135-G228 WeakPolarHBondContact O-CA 3.35Å; P135-G228 PolarHBondContact O-N 2.77Å; T217-G228 CarbonylContact C-O 3.53Å; T217-G228 WeakPolarHBondContact CA-O 3.33Å; A218-G228 PolarHBondContact N-O 2.81Å; A218-G228 PolarHBondContact O-N 3.37Å
229	S	92.9	Very high	91.1	Very high	58 Å²	58	49.4 Å²	49.4	41%	0.406	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.3	178.2	-60	0	0	0	0	112.1	Q215 L216 T217	Q215-S229 PolarHBondContact NE2-OG 2.9Å; L216-S229 CarbonylContact O-C 3.59Å; L216-S229 WeakPolarHBondContact O-CA 3.24Å; T217-S229 PolarHBondContact OG1-OG 3.04Å
230	S	92.9	Very high	91.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.1	168.4	-171	0	0	0	0	109.2	R139 S140 L216	R139-S230 WeakPolarHBondContact O-CB 3.37Å; R139-S230 PolarHBondContact O-OG 3.32Å; S140-S230 VanDerWaalsContact C-OG 3.28Å; S140-S230 PolarHBondContact O-OG 2.76Å; L216-S230 PolarHBondContact N-O 2.82Å; L216-S230 PolarHBondContact O-N 2.88Å
231	I	93.8	Very high	91.3	Very high	75 Å²	75	55.1 Å²	55.1	39%	0.385	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117	178.1	-59.5	174	0	0	0	108.6	S140 I141 I142 E213 L214 K233	S140-I231 PolarHBondContact O-N 3.31Å; I141-I231 CarbonylContact C-O 3.56Å; I141-I231 VanDerWaalsContact CA-O 3.32Å; I141-I231 WeakPolarHBondContact CA-O 3.35Å; I141-I231 HydrophobicContact CG1-CB 4.49Å; I142-I231 PolarHBondContact N-O 3.4Å; E213-I231 HydrophobicContact CB-CG2 4.38Å; L214-I231 CarbonylContact O-C 3.52Å; I231-K233 PolarHBondContact O-N 2.99Å
232	L	93.7	Very high	91.6	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	113.1	164.6	-50.7	-170.9	0	0	0	107.5	I142 I144 L158 L176 L198 E213 L214 L216 I234	I142-L232 HydrophobicContact CB-CD2 3.82Å; I142-L232 HydrophobicContact CD1-CD2 3.91Å; I142-L232 HydrophobicContact CG1-CD2 4.39Å; I142-L232 HydrophobicContact CG2-CD2 4.16Å; I142-L232 WeakPolarHBondContact O-CA 3.09Å; I144-L232 HydrophobicContact CD1-CB 4.2Å; I144-L232 HydrophobicContact CD1-CD1 4.14Å; I144-L232 HydrophobicContact CD1-CD2 4.22Å; I144-L232 HydrophobicContact CD1-CG 4.42Å; L158-L232 HydrophobicContact CD1-CD1 4.03Å; L158-L232 HydrophobicContact CD2-CD1 4.47Å; L176-L232 HydrophobicContact CD1-CD1 3.79Å; L198-L232 HydrophobicContact CD1-CD1 4.07Å; E213-L232 WeakPolarHBondContact CA-O 3.41Å; L214-L232 HydrophobicContact CB-CB 4.44Å; L214-L232 PolarHBondContact N-O 2.93Å; L214-L232 PolarHBondContact O-N 2.86Å; L216-L232 HydrophobicContact CB-CD1 4.28Å; L216-L232 HydrophobicContact CB-CD2 4.04Å; L216-L232 HydrophobicContact CB-CG 3.96Å; L216-L232 HydrophobicContact CD2-CD2 4.13Å; L232-I234 HydrophobicContact CB-CG1 4.43Å
233	K	93.9	Very high	92.1	Very high	97 Å²	97	55 Å²	55	42%	0.422	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	99.1	171.4	-173.1	-179.2	-178.9	87.2	0	107.6	I141 I142 P143 I144 E213 I231	I141-K233 HydrophobicContact CG2-CB 3.96Å; I142-K233 PolarHBondContact O-N 2.93Å; P143-K233 WeakPolarHBondContact CA-O 3.46Å; I144-K233 PolarHBondContact N-O 2.81Å; E213-K233 HydrophobicContact CG-CG 4.25Å; E213-K233 IonicContact OE1-NZ 2.82Å; E213-K233 PolarHBondContact OE1-NZ 3.08Å; I231-K233 PolarHBondContact O-N 2.99Å
234	I	94.1	Very high	92.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.7	-178.7	-53.7	173.5	0	0	0	108.1	I144 I146 F182 L198 S211 Y212 L214 L232 I236	I144-I234 HydrophobicContact CB-CG1 4.26Å; I144-I234 HydrophobicContact CD1-CG1 4.4Å; I144-I234 CarbonylContact O-C 3.57Å; I144-I234 VanDerWaalsContact O-CA 3.31Å; I144-I234 WeakPolarHBondContact O-CA 3.34Å; I146-I234 HydrophobicContact CD1-CG2 3.53Å; I146-I234 HydrophobicContact CG1-CG2 3.89Å; F182-I234 HydrophobicContact CD1-CD1 4.18Å; F182-I234 HydrophobicContact CD2-CD1 3.93Å; F182-I234 HydrophobicContact CE1-CD1 4.12Å; F182-I234 HydrophobicContact CE2-CD1 3.86Å; F182-I234 HydrophobicContact CG-CD1 4.08Å; F182-I234 HydrophobicContact CZ-CD1 3.95Å; F182-I234 HydrophobicContact CZ-CG2 4.07Å; L198-I234 HydrophobicContact CD2-CD1 3.93Å; S211-I234 CarbonylContact C-O 3.55Å; S211-I234 VanDerWaalsContact CA-O 3.26Å; S211-I234 WeakPolarHBondContact CA-O 3.44Å; S211-I234 WeakPolarHBondContact CB-O 3.31Å; Y212-I234 PolarHBondContact N-O 2.75Å; Y212-I234 PolarHBondContact O-N 3.35Å; L214-I234 HydrophobicContact CD1-CD1 3.82Å; L232-I234 HydrophobicContact CB-CG1 4.43Å; I234-I236 HydrophobicContact CG2-CD1 4.11Å
235	S	94.3	Very high	93	Very high	53 Å²	53	46.2 Å²	46.2	37%	0.371	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.4	164.2	46.6	0	0	0	0	109.3	I144 E145 I146	I144-S235 PolarHBondContact O-N 2.73Å; I144-S235 PolarHBondContact O-OG 3.36Å; E145-S235 WeakPolarHBondContact CA-O 3.07Å; I146-S235 PolarHBondContact N-O 3.43Å; I146-S235 VanDerWaalsContact N-O 3.09Å
236	I	95.1	Very high	93.2	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.6	170.2	-50	-55.2	0	0	0	107.4	I146 E148 F182 L204 R206 S210 Y212 I234	I146-I236 CarbonylContact O-C 3.57Å; I146-I236 VanDerWaalsContact O-CA 3.24Å; I146-I236 WeakPolarHBondContact O-CA 3.06Å; E148-I236 HydrophobicContact CB-CG2 3.83Å; F182-I236 HydrophobicContact CZ-CD1 4.41Å; L204-I236 HydrophobicContact CD1-CD1 4.18Å; L204-I236 HydrophobicContact CD2-CD1 4.33Å; R206-I236 HydrophobicContact CB-CB 4.27Å; R206-I236 HydrophobicContact CB-CG2 3.88Å; R206-I236 HydrophobicContact CG-CB 4.41Å; R206-I236 HydrophobicContact CG-CG2 4.46Å; S210-I236 PolarHBondContact O-N 2.88Å; Y212-I236 HydrophobicContact CD2-CD1 4.15Å; Y212-I236 HydrophobicContact CD2-CG1 4.29Å; Y212-I236 HydrophobicContact CE2-CD1 4.07Å; Y212-I236 HydrophobicContact CE2-CG1 4.04Å; I234-I236 HydrophobicContact CG2-CD1 4.11Å
237	S	93.3	Very high	93.2	Very high	32 Å²	32	44.4 Å²	44.4	22%	0.224	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.4	179.7	66	0	0	0	0	110.5	I146 S147 E148 S239	I146-S237 PolarHBondContact O-N 3.3Å; S147-S237 WeakPolarHBondContact CA-O 3.2Å; S147-S237 WeakPolarHBondContact CA-OG 3.41Å; S147-S237 PolarHBondContact N-OG 2.97Å; E148-S237 VanDerWaalsContact OE1-O 3.13Å; S237-S239 PolarHBondContact O-OG 2.75Å
238	D	93.9	Very high	93.1	Very high	38 Å²	38	45.5 Å²	45.5	20%	0.203	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-51.7	143.2	-175.6	-169.5	86.2	0	0	0	115.2	E148 R206 E275 N278	E148-D238 VanDerWaalsContact OE1-C 3.24Å; E148-D238 VanDerWaalsContact OE1-CA 3.26Å; E148-D238 WeakPolarHBondContact OE1-CA 3.45Å; R206-D238 IonicContact CZ-OD1 3.37Å; R206-D238 IonicContact NE-OD1 2.7Å; R206-D238 PolarHBondContact NE-OD1 2.84Å; R206-D238 IonicContact NH1-OD1 3.67Å; R206-D238 IonicContact NH2-OD1 3.57Å; R206-D238 PolarHBondContact NH2-OD1 2.91Å; D238-E275 HydrophobicContact CB-CB 3.83Å; D238-E275 VanDerWaalsContact CG-CB 3.49Å; D238-E275 WeakPolarHBondContact OD1-CB 3.36Å; D238-E275 PolarHBondContact OD1-N 3.49Å; D238-E275 PolarHBondContact OD2-N 3.45Å; D238-N278 WeakPolarHBondContact OD2-CB 3.5Å; D238-N278 PolarHBondContact OD2-ND2 3.12Å
239	S	92.7	Very high	93.1	Very high	17 Å²	17	52.9 Å²	52.9	12%	0.119	29%	0.287	C	S	.	.			trans	-138.7	133.9	-178.4	-41.5	0	0	0	0	108	S147 E148 S237 D241	S147-S239 PolarHBondContact OG-OG 2.8Å; E148-S239 VanDerWaalsContact OE1-CB 3.27Å; E148-S239 WeakPolarHBondContact OE1-CB 3.27Å; E148-S239 PolarHBondContact OE1-N 2.68Å; E148-S239 PolarHBondContact OE1-OG 3.09Å; S237-S239 PolarHBondContact O-OG 2.75Å; S239-D241 PolarHBondContact O-N 2.81Å
240	N	93.6	Very high	93.1	Very high	30 Å²	30	53.1 Å²	53.1	16%	0.16	29%	0.288	C	S	.	.			trans	-75.6	71.7	-177.8	-160	116.3	0	0	0	112	N242 D274 N278 D328 G330	N240-N242 PolarHBondContact ND2-O 2.75Å; N240-D274 WeakPolarHBondContact CA-OD2 3.36Å; N240-N278 HydrophobicContact CB-CB 4.05Å; N240-N278 PolarHBondContact N-ND2 3.36Å; N240-N278 VanDerWaalsContact OD1-CA 3.28Å; N240-N278 WeakPolarHBondContact OD1-CA 3.25Å; N240-N278 WeakPolarHBondContact OD1-CB 3.35Å; N240-D328 PolarHBondContact OD1-OD1 2.85Å; N240-D328 VanDerWaalsContact OD1-OD1 3.13Å; N240-G330 WeakPolarHBondContact OD1-CA 3.26Å
241	D	91.4	Very high	93.2	Very high	105 Å²	105	54.3 Å²	54.3	56%	0.561	29%	0.292	S	S	*	.			trans	-106.8	-14.7	-179.4	84.3	-16.8	0	0	0	114.3	S239	S239-D241 PolarHBondContact O-N 2.81Å
242	N	92.1	Very high	93.3	Very high	57 Å²	57	55.8 Å²	55.8	31%	0.305	30%	0.3	S	S	.	.	S	Bend	trans	-83.1	-178.3	161.5	-62.2	-79.8	0	0	0	110.7	N240 P273 D274	N240-N242 PolarHBondContact ND2-O 2.75Å; N242-P273 HydrophobicContact CB-CG 3.69Å; N242-P273 VanDerWaalsContact CG-CG 3.47Å; N242-D274 VanDerWaalsContact CB-OD1 3.31Å; N242-D274 WeakPolarHBondContact CB-OD1 3.05Å; N242-D274 PolarHBondContact N-OD2 3.36Å; N242-D274 PolarHBondContact ND2-OD1 2.82Å
243	S	92.9	Very high	93.3	Very high	45 Å²	45	56.9 Å²	56.9	32%	0.315	31%	0.306	S	S	.	.			trans	-155.9	154.1	176	-58.2	0	0	0	0	109.9	A245 D272	S243-A245 PolarHBondContact O-N 3.46Å; S243-D272 WeakPolarHBondContact CA-OD2 3.09Å
244	P	95.4	Very high	93.4	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.013	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-61.7	124.4	-169.2	-28.1	36.6	0	0	0	113.7	D272 I281 A326 D328 A336	P244-D272 WeakPolarHBondContact CD-OD2 3.22Å; P244-D272 HydrophobicContact CG-CB 4.42Å; P244-D272 WeakPolarHBondContact CG-OD2 3.48Å; P244-I281 HydrophobicContact CB-CD1 3.95Å; P244-I281 HydrophobicContact CB-CG1 3.9Å; P244-I281 HydrophobicContact CG-CD1 4.48Å; P244-I281 HydrophobicContact CG-CG1 3.91Å; P244-A326 HydrophobicContact CB-CB 3.95Å; P244-D328 HydrophobicContact CG-CB 4.2Å; P244-A336 WeakPolarHBondContact O-CB 3.25Å
245	A	93.5	Very high	93.5	Very high	52 Å²	52	60.1 Å²	60.1	43%	0.43	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.8	179.3	0	0	0	0	0	111.9	S243 A270 T271	S243-A245 PolarHBondContact O-N 3.46Å; A245-A270 CarbonylContact O-C 3.57Å; A245-A270 WeakPolarHBondContact O-CA 3.44Å; A245-T271 PolarHBondContact N-O 3.41Å; A245-T271 PolarHBondContact O-N 3.27Å; A245-T271 PolarHBondContact O-OG1 3.05Å
246	F	94.1	Very high	93.5	Very high	28 Å²	28	61.7 Å²	61.7	12%	0.123	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	142.9	169.5	-72.7	-80.8	0	0	0	111.5	Q248 L268 A270 Y283 V324 A326 A336 C338	F246-Q248 PolarHBondContact O-N 3.34Å; F246-L268 HydrophobicContact CE1-CD2 4.44Å; F246-A270 HydrophobicContact CD1-CB 3.85Å; F246-A270 HydrophobicContact CE1-CB 4.14Å; F246-A270 HydrophobicContact CG-CB 4.16Å; F246-Y283 HydrophobicContact CE1-CD1 4.26Å; F246-Y283 HydrophobicContact CE1-CE1 4.06Å; F246-V324 HydrophobicContact CZ-CG1 4.27Å; F246-A326 HydrophobicContact CD2-CB 4.41Å; F246-A326 HydrophobicContact CE1-CB 4.06Å; F246-A326 HydrophobicContact CE2-CB 3.6Å; F246-A326 HydrophobicContact CZ-CB 3.4Å; F246-A336 HydrophobicContact CD2-CB 4.34Å; F246-A336 HydrophobicContact CE2-CB 4.43Å; F246-C338 HydrophobicContact CB-CB 4.3Å; F246-C338 HydrophobicContact CD1-CB 3.88Å; F246-C338 HydrophobicContact CD2-CB 3.57Å; F246-C338 HydrophobicContact CE1-CB 3.98Å; F246-C338 HydrophobicContact CE2-CB 3.66Å; F246-C338 HydrophobicContact CG-CB 3.67Å; F246-C338 HydrophobicContact CZ-CB 3.86Å
247	E	90.4	Very high	93.5	Very high	143 Å²	143	61.8 Å²	61.8	67%	0.668	33%	0.326	S	S	*	.	S	Bend	trans	-58.7	-32.6	176.2	-172.3	-177.3	153.9	0	0	112.9
248	Q	90.3	Very high	93.5	Very high	95 Å²	95	64.7 Å²	64.7	44%	0.444	34%	0.34	S	S	.	.			trans	-138.3	139.8	177.2	-52.4	-175.5	7.8	0	0	110.6	F246 S250 Y251 C338	F246-Q248 PolarHBondContact O-N 3.34Å; Q248-S250 VanDerWaalsContact C-N 3.29Å; Q248-S250 PolarHBondContact O-N 3.03Å; Q248-Y251 HydrophobicContact CB-CE1 3.95Å; Q248-Y251 HydrophobicContact CB-CE2 4.12Å; Q248-Y251 HydrophobicContact CG-CE1 3.98Å; Q248-C338 PolarHBondContact O-SG 2.93Å
249	Q	89.9	Confident	93.5	Very high	172 Å²	172	63.6 Å²	63.6	80%	0.804	34%	0.335	S	S	*	.	S	Bend	trans	-71.2	-22.9	178.9	-64.7	179.1	-1.7	0	0	113.1	K339	Q249-K339 PolarHBondContact O-N 2.76Å
250	S	94.2	Very high	93.6	Very high	62 Å²	62	67 Å²	67	43%	0.434	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	141.8	175.9	67.3	0	0	0	0	113.6	Q248 K339	Q248-S250 VanDerWaalsContact C-N 3.29Å; Q248-S250 PolarHBondContact O-N 3.03Å; S250-K339 CarbonylContact C-O 3.46Å; S250-K339 WeakPolarHBondContact CA-O 3.21Å; S250-K339 WeakPolarHBondContact CB-O 3.34Å
251	Y	94.3	Very high	93.7	Very high	27 Å²	27	69.5 Å²	69.5	11%	0.106	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.3	174.7	-63.9	-86.1	0	0	0	111.1	Q248 L266 L268 C338 K339 I340 I341	Q248-Y251 HydrophobicContact CB-CE1 3.95Å; Q248-Y251 HydrophobicContact CB-CE2 4.12Å; Q248-Y251 HydrophobicContact CG-CE1 3.98Å; Y251-L266 HydrophobicContact CD1-CD1 4.16Å; Y251-L266 HydrophobicContact CD1-CD2 3.99Å; Y251-L266 HydrophobicContact CD2-CD2 3.55Å; Y251-L266 HydrophobicContact CE1-CD1 4.38Å; Y251-L266 HydrophobicContact CE1-CD2 4.45Å; Y251-L266 HydrophobicContact CE2-CD2 4.07Å; Y251-L266 HydrophobicContact CG-CD1 4.49Å; Y251-L266 HydrophobicContact CG-CD2 3.5Å; Y251-L268 HydrophobicContact CD2-CD2 4Å; Y251-L268 HydrophobicContact CE2-CD2 3.71Å; Y251-C338 WeakPolarHBondContact CD2-SG 3.25Å; Y251-C338 VanDerWaalsContact CE2-SG 3.52Å; Y251-K339 PolarHBondContact N-O 2.66Å; Y251-I340 HydrophobicContact CD2-CG1 4.44Å; Y251-I341 PolarHBondContact O-N 2.96Å
252	I	95.6	Very high	93.7	Very high	107 Å²	107	67.2 Å²	67.2	55%	0.549	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.4	172.5	-54.5	-177.9	0	0	0	108.8	I341 K343	I252-I341 WeakPolarHBondContact CA-O 3.23Å; I252-I341 HydrophobicContact CG1-CB 4.38Å; I252-K343 HydrophobicContact CG2-CD 3.9Å; I252-K343 HydrophobicContact CG2-CG 4.37Å
253	I	94.6	Very high	93.8	Very high	23 Å²	23	66.4 Å²	66.4	12%	0.118	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.4	-175.1	-52.4	172.7	0	0	0	108.7	L265 L266 I340 I341 I342 K343	I253-L265 HydrophobicContact CD1-CB 4.34Å; I253-L266 HydrophobicContact CD1-CB 3.86Å; I253-L266 HydrophobicContact CD1-CD2 4.21Å; I253-I340 HydrophobicContact CD1-CG2 3.65Å; I253-I340 HydrophobicContact CG1-CG2 4.32Å; I253-I341 PolarHBondContact N-O 2.76Å; I253-I342 HydrophobicContact CB-CG1 4.45Å; I253-I342 HydrophobicContact CD1-CG1 4.37Å; I253-K343 PolarHBondContact O-N 3.24Å
254	Q	95.4	Very high	93.9	Very high	159 Å²	159	68.6 Å²	68.6	74%	0.743	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.2	168.2	-71.9	-177.1	1.1	0	0	109.3	K343 V345	Q254-K343 WeakPolarHBondContact CA-O 3.48Å; Q254-V345 HydrophobicContact CB-CG2 3.87Å; Q254-V345 HydrophobicContact CG-CG2 4.24Å
255	L	95.8	Very high	93.9	Very high	5 Å²	5	69.7 Å²	69.7	3%	0.026	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.6	-176.7	176	58.8	0	0	0	110	E257 S259 L265 F297 L308 V312 I342 K343 V344 V345	L255-E257 PolarHBondContact O-N 2.9Å; L255-S259 WeakPolarHBondContact CD1-OG 3.2Å; L255-L265 HydrophobicContact CD1-CD2 3.61Å; L255-L265 HydrophobicContact CD2-CD2 3.88Å; L255-L265 HydrophobicContact CG-CD2 4.21Å; L255-F297 HydrophobicContact CD2-CE1 4.06Å; L255-F297 HydrophobicContact CD2-CZ 4.41Å; L255-L308 HydrophobicContact CD2-CD1 4.1Å; L255-V312 HydrophobicContact CD2-CG1 4.42Å; L255-V312 HydrophobicContact CD2-CG2 3.8Å; L255-V312 HydrophobicContact CG-CG2 4.21Å; L255-I342 HydrophobicContact CB-CG2 3.65Å; L255-I342 HydrophobicContact CD2-CG2 3.84Å; L255-I342 HydrophobicContact CG-CG2 4.41Å; L255-K343 PolarHBondContact N-O 3.03Å; L255-V344 CarbonylContact O-C 3.56Å; L255-V344 VanDerWaalsContact O-CA 3.32Å; L255-V344 WeakPolarHBondContact O-CA 3.48Å; L255-V345 PolarHBondContact O-N 2.89Å
256	L	94.8	Very high	93.9	Very high	87 Å²	87	68.8 Å²	68.8	46%	0.455	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	134.1	168.3	-66.4	165.2	0	0	0	109	N258 S259 V345 V347	L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 3.09Å; L256-S259 WeakPolarHBondContact O-CA 3.41Å; L256-S259 WeakPolarHBondContact O-CB 3.2Å; L256-S259 PolarHBondContact O-N 3.19Å; L256-S259 PolarHBondContact O-OG 3.46Å; L256-V345 HydrophobicContact CD2-CB 4.05Å; L256-V345 HydrophobicContact CD2-CG1 3.81Å; L256-V347 HydrophobicContact CB-CG2 4.36Å; L256-V347 HydrophobicContact CD2-CG2 3.87Å
257	E	95.1	Very high	93.9	Very high	11 Å²	11	72.1 Å²	72.1	5%	0.051	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-34.4	-173.1	68	-159.2	112.9	0	0	113.9	L255 S259 V312 Y314 V344 V345 D346 V347	L255-E257 PolarHBondContact O-N 2.9Å; E257-S259 PolarHBondContact O-N 3.26Å; E257-V312 HydrophobicContact CB-CG2 4.32Å; E257-Y314 WeakPolarHBondContact OE1-CB 3.08Å; E257-Y314 WeakPolarHBondContact OE2-CB 3.46Å; E257-Y314 PolarHBondContact OE2-N 3.25Å; E257-V344 HydrophobicContact CB-CG1 3.75Å; E257-V345 PolarHBondContact N-O 3.15Å; E257-D346 VanDerWaalsContact OE1-CA 3.31Å; E257-D346 WeakPolarHBondContact OE1-CA 3.1Å; E257-V347 HydrophobicContact CG-CB 4.29Å; E257-V347 HydrophobicContact CG-CG2 4.26Å; E257-V347 PolarHBondContact OE1-N 2.7Å
258	N	93.1	Very high	94	Very high	94 Å²	94	65.4 Å²	65.4	50%	0.503	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.1	177.9	68.6	-0.2	0	0	0	114.7	L256 P260	L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 3.09Å; N258-P260 WeakPolarHBondContact O-CD 3.28Å; N258-P260 VanDerWaalsContact O-N 3.12Å
259	S	94.8	Very high	94	Very high	15 Å²	15	64.9 Å²	64.9	11%	0.105	36%	0.36	C	S	.	.				25.7	76.1	127.1	24.6	0	0	0	0	117.6	L255 L256 E257 V261 L308	L255-S259 WeakPolarHBondContact CD1-OG 3.2Å; L256-S259 WeakPolarHBondContact O-CA 3.41Å; L256-S259 WeakPolarHBondContact O-CB 3.2Å; L256-S259 PolarHBondContact O-N 3.19Å; L256-S259 PolarHBondContact O-OG 3.46Å; E257-S259 PolarHBondContact O-N 3.26Å; S259-V261 PolarHBondContact O-N 2.84Å; S259-L308 VanDerWaalsContact O-CD2 3.31Å; S259-L308 WeakPolarHBondContact O-CD2 3.31Å
260	P	94.8	Very high	94.2	Very high	87 Å²	87	57 Å²	57	57%	0.565	32%	0.324	S	S	*	.			trans	-59	136.8	174.3	19.8	-32.8	0	0	0	112.5	N258 G262 T263	N258-P260 WeakPolarHBondContact O-CD 3.28Å; N258-P260 VanDerWaalsContact O-N 3.12Å; P260-G262 PolarHBondContact O-N 2.96Å; P260-T263 WeakPolarHBondContact O-CB 3.31Å; P260-T263 PolarHBondContact O-N 3.49Å; P260-T263 VanDerWaalsContact O-N 3.13Å; P260-T263 PolarHBondContact O-OG1 2.85Å
261	V	94.4	Very high	94.1	Very high	84 Å²	84	58.1 Å²	58.1	51%	0.509	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	135.7	173.7	174.1	0	0	0	0	109.8	S259 F309 Q311	S259-V261 PolarHBondContact O-N 2.84Å; V261-F309 VanDerWaalsContact CG1-O 3.29Å; V261-F309 WeakPolarHBondContact CG1-O 3.19Å; V261-Q311 HydrophobicContact CG2-CG 4.08Å
262	G	92.9	Very high	94.2	Very high	56 Å²	56	57.9 Å²	57.9	58%	0.577	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	-3.2	-170.5	0	0	0	0	0	114.5	P260 L264 L308	P260-G262 PolarHBondContact O-N 2.96Å; G262-L264 PolarHBondContact O-N 2.75Å; G262-L308 PolarHBondContact N-O 2.76Å
263	T	94.6	Very high	94.1	Very high	41 Å²	41	56 Å²	56	25%	0.252	32%	0.324	S	S	.	.			trans	-59.5	126.8	173.3	-64.5	0	0	0	0	110.9	P260 T307 L308	P260-T263 WeakPolarHBondContact O-CB 3.31Å; P260-T263 PolarHBondContact O-N 3.49Å; P260-T263 VanDerWaalsContact O-N 3.13Å; P260-T263 PolarHBondContact O-OG1 2.85Å; T263-T307 WeakPolarHBondContact O-CA 3.35Å; T263-L308 PolarHBondContact O-N 2.92Å
264	L	94.8	Very high	94.1	Very high	90 Å²	90	55.4 Å²	55.4	47%	0.471	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.1	169.1	-177.4	67.9	0	0	0	108.9	G262 H305 T307	G262-L264 PolarHBondContact O-N 2.75Å; L264-H305 HydrophobicContact CD1-CB 3.7Å; L264-T307 HydrophobicContact CD1-CG2 4.02Å
265	L	94.6	Very high	94	Very high	25 Å²	25	53.4 Å²	53.4	13%	0.131	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-41.1	-174.8	-64.1	160.7	0	0	0	111.4	I253 L255 F297 L306 L308 I342	I253-L265 HydrophobicContact CD1-CB 4.34Å; L255-L265 HydrophobicContact CD1-CD2 3.61Å; L255-L265 HydrophobicContact CD2-CD2 3.88Å; L255-L265 HydrophobicContact CG-CD2 4.21Å; L265-F297 HydrophobicContact CD1-CD1 3.45Å; L265-F297 VanDerWaalsContact CD1-CD1 3.45Å; L265-F297 HydrophobicContact CD1-CE1 3.65Å; L265-L306 HydrophobicContact CB-CG 4.43Å; L265-L306 WeakPolarHBondContact CB-O 3.4Å; L265-L306 HydrophobicContact CD1-CG 4.24Å; L265-L306 PolarHBondContact N-O 3.25Å; L265-L308 HydrophobicContact CD1-CB 4.27Å; L265-I342 HydrophobicContact CD1-CD1 4.09Å
266	L	93.7	Very high	93.7	Very high	33 Å²	33	56.4 Å²	56.4	17%	0.173	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	147.3	-179.4	-171.9	59.9	0	0	0	109.8	Y251 I253 L268 L306 I340	Y251-L266 HydrophobicContact CD1-CD1 4.16Å; Y251-L266 HydrophobicContact CD1-CD2 3.99Å; Y251-L266 HydrophobicContact CD2-CD2 3.55Å; Y251-L266 HydrophobicContact CE1-CD1 4.38Å; Y251-L266 HydrophobicContact CE1-CD2 4.45Å; Y251-L266 HydrophobicContact CE2-CD2 4.07Å; Y251-L266 HydrophobicContact CG-CD1 4.49Å; Y251-L266 HydrophobicContact CG-CD2 3.5Å; I253-L266 HydrophobicContact CD1-CB 3.86Å; I253-L266 HydrophobicContact CD1-CD2 4.21Å; L266-L268 HydrophobicContact CD2-CD2 3.45Å; L266-L268 VanDerWaalsContact CD2-CD2 3.45Å; L266-L268 HydrophobicContact CD2-CG 3.89Å; L266-L268 HydrophobicContact CG-CD2 4.12Å; L266-L268 HydrophobicContact CG-CG 4.11Å; L266-L306 HydrophobicContact CB-CB 4.38Å; L266-L306 PolarHBondContact O-N 3.2Å; L266-I340 HydrophobicContact CD2-CD1 4.17Å
267	D	93.2	Very high	93.6	Very high	99 Å²	99	54.7 Å²	54.7	53%	0.529	34%	0.342	S	S	.	.			trans	-102.9	107	167.7	-167.9	6.5	0	0	0	106.9	H305	D267-H305 IonicContact OD1-CD2 2.68Å; D267-H305 PolarHBondContact OD1-CD2 2.61Å; D267-H305 VanDerWaalsContact OD1-CD2 3.27Å; D267-H305 IonicContact OD1-NE2 2.7Å
268	L	92.3	Very high	93.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	34%	0.344	C	S	.	.			trans	-91.8	105.8	-174.1	-73.4	160.6	0	0	0	110.3	F246 Y251 L266 Y283 I299 G304 L306 V324 I340	F246-L268 HydrophobicContact CE1-CD2 4.44Å; Y251-L268 HydrophobicContact CD2-CD2 4Å; Y251-L268 HydrophobicContact CE2-CD2 3.71Å; L266-L268 HydrophobicContact CD2-CD2 3.45Å; L266-L268 VanDerWaalsContact CD2-CD2 3.45Å; L266-L268 HydrophobicContact CD2-CG 3.89Å; L266-L268 HydrophobicContact CG-CD2 4.12Å; L266-L268 HydrophobicContact CG-CG 4.11Å; L268-Y283 WeakPolarHBondContact O-CE1 2.86Å; L268-Y283 PolarHBondContact O-OH 3.08Å; L268-I299 HydrophobicContact CD1-CD1 3.74Å; L268-G304 WeakPolarHBondContact CB-O 3.42Å; L268-G304 PolarHBondContact N-O 3.43Å; L268-L306 HydrophobicContact CD1-CB 4.41Å; L268-V324 HydrophobicContact CD1-CB 4.44Å; L268-V324 HydrophobicContact CD1-CG1 4.05Å; L268-V324 HydrophobicContact CD1-CG2 4.18Å; L268-I340 HydrophobicContact CD1-CD1 3.64Å; L268-I340 HydrophobicContact CD2-CD1 3.93Å; L268-I340 HydrophobicContact CG-CD1 4.29Å
269	N	91.2	Very high	93.4	Very high	84 Å²	84	51.7 Å²	51.7	45%	0.449	33%	0.332	S	S	.	.			trans	-93.8	131.7	170.8	-165.5	26	0	0	0	111.1
270	A	93.4	Very high	93.3	Very high	6 Å²	6	55.4 Å²	55.4	5%	0.05	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.5	163.3	0	0	0	0	0	108.3	A245 F246 I281 Y283 A326	A245-A270 CarbonylContact O-C 3.57Å; A245-A270 WeakPolarHBondContact O-CA 3.44Å; F246-A270 HydrophobicContact CD1-CB 3.85Å; F246-A270 HydrophobicContact CE1-CB 4.14Å; F246-A270 HydrophobicContact CG-CB 4.16Å; A270-I281 VanDerWaalsContact C-CD1 3.42Å; A270-I281 HydrophobicContact CB-CD1 3.98Å; A270-I281 WeakPolarHBondContact O-CD1 3.43Å; A270-Y283 HydrophobicContact CB-CE1 3.91Å; A270-Y283 PolarHBondContact N-OH 3.34Å; A270-Y283 PolarHBondContact O-OH 3.24Å; A270-A326 HydrophobicContact CB-CB 3.88Å
271	T	93.9	Very high	93.3	Very high	87 Å²	87	52.3 Å²	52.3	53%	0.534	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.5	-176.9	54.9	0	0	0	0	110.6	A245	A245-T271 PolarHBondContact N-O 3.41Å; A245-T271 PolarHBondContact O-N 3.27Å; A245-T271 PolarHBondContact O-OG1 3.05Å
272	D	95.4	Very high	93.3	Very high	22 Å²	22	50.5 Å²	50.5	12%	0.118	31%	0.313	C	S	.	.			trans	-129.8	131.5	173.5	-164.2	-62.4	0	0	0	107.2	S243 P244 D274 I281	S243-D272 WeakPolarHBondContact CA-OD2 3.09Å; P244-D272 WeakPolarHBondContact CD-OD2 3.22Å; P244-D272 HydrophobicContact CG-CB 4.42Å; P244-D272 WeakPolarHBondContact CG-OD2 3.48Å; D272-D274 WeakPolarHBondContact OD1-CB 3.37Å; D272-D274 PolarHBondContact OD1-N 3.07Å; D272-D274 VanDerWaalsContact OD1-N 3.12Å; D272-I281 HydrophobicContact CB-CD1 3.93Å; D272-I281 HydrophobicContact CB-CG1 3.97Å
273	P	94	Very high	93.4	Very high	67 Å²	67	48.6 Å²	48.6	44%	0.435	29%	0.289	S	S	.	.			trans	-85.8	-14.1	-174.3	36.4	-37.4	0	0	0	114.1	R206 E207 N242	R206-P273 PolarHBondContact NH2-O 3.22Å; E207-P273 HydrophobicContact CG-CB 3.86Å; E207-P273 HydrophobicContact CG-CG 4.1Å; N242-P273 HydrophobicContact CB-CG 3.69Å; N242-P273 VanDerWaalsContact CG-CG 3.47Å
274	D	94.6	Very high	93.5	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.059	29%	0.29	C	S	.	.	S	Bend	trans	-68.9	169.7	-170.7	-63	-2.7	0	0	0	112.2	N240 N242 D272 N278 G279	N240-D274 WeakPolarHBondContact CA-OD2 3.36Å; N242-D274 VanDerWaalsContact CB-OD1 3.31Å; N242-D274 WeakPolarHBondContact CB-OD1 3.05Å; N242-D274 PolarHBondContact N-OD2 3.36Å; N242-D274 PolarHBondContact ND2-OD1 2.82Å; D272-D274 WeakPolarHBondContact OD1-CB 3.37Å; D272-D274 PolarHBondContact OD1-N 3.07Å; D272-D274 VanDerWaalsContact OD1-N 3.12Å; D274-N278 HydrophobicContact CB-CB 3.51Å; D274-G279 WeakPolarHBondContact O-CA 3.36Å; D274-G279 PolarHBondContact O-N 2.97Å
275	E	92.3	Very high	93.5	Very high	117 Å²	117	45.9 Å²	45.9	55%	0.547	28%	0.275	S	S	.	.			trans	-89.9	141.1	-173.9	-140.9	171.4	130.7	0	0	114.7	R206 D238 A277 N278	R206-E275 IonicContact CZ-OE2 2.71Å; R206-E275 VanDerWaalsContact NH1-CB 3.34Å; R206-E275 IonicContact NH1-OE2 2.67Å; R206-E275 PolarHBondContact NH1-OE2 3.05Å; D238-E275 HydrophobicContact CB-CB 3.83Å; D238-E275 VanDerWaalsContact CG-CB 3.49Å; D238-E275 WeakPolarHBondContact OD1-CB 3.36Å; D238-E275 PolarHBondContact OD1-N 3.49Å; D238-E275 PolarHBondContact OD2-N 3.45Å; E275-A277 PolarHBondContact O-N 2.93Å; E275-N278 PolarHBondContact O-N 3.43Å
276	G	90.9	Very high	93.5	Very high	67 Å²	67	44.8 Å²	44.8	69%	0.691	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-86.4	158.8	0	0	0	0	0	115.4	K280	G276-K280 WeakPolarHBondContact O-CB 3.43Å
277	A	91.8	Very high	93.2	Very high	51 Å²	51	48.8 Å²	48.8	42%	0.421	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-32.6	177.1	0	0	0	0	0	112.2	E275 K280 L329	E275-A277 PolarHBondContact O-N 2.93Å; A277-K280 PolarHBondContact O-N 3Å; A277-L329 CarbonylContact O-C 3.54Å; A277-L329 WeakPolarHBondContact O-CB 3.39Å; A277-L329 PolarHBondContact O-N 2.88Å
278	N	91.8	Very high	92.9	Very high	20 Å²	20	49.6 Å²	49.6	11%	0.107	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-47.7	-180	-61.1	-6.8	0	0	0	108.8	D238 N240 D274 E275 K280 D328 G330 P331	D238-N278 WeakPolarHBondContact OD2-CB 3.5Å; D238-N278 PolarHBondContact OD2-ND2 3.12Å; N240-N278 HydrophobicContact CB-CB 4.05Å; N240-N278 PolarHBondContact N-ND2 3.36Å; N240-N278 VanDerWaalsContact OD1-CA 3.28Å; N240-N278 WeakPolarHBondContact OD1-CA 3.25Å; N240-N278 WeakPolarHBondContact OD1-CB 3.35Å; D274-N278 HydrophobicContact CB-CB 3.51Å; E275-N278 PolarHBondContact O-N 3.43Å; N278-K280 PolarHBondContact O-N 2.57Å; N278-K280 VanDerWaalsContact O-N 3.09Å; N278-D328 WeakPolarHBondContact O-CB 3.01Å; N278-G330 WeakPolarHBondContact OD1-CA 3.46Å; N278-P331 WeakPolarHBondContact OD1-CD 3.42Å
279	G	91.3	Very high	92.9	Very high	23 Å²	23	50 Å²	50	24%	0.237	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	1.3	170.2	0	0	0	0	0	116.3	D274 I281	D274-G279 WeakPolarHBondContact O-CA 3.36Å; D274-G279 PolarHBondContact O-N 2.97Å; G279-I281 PolarHBondContact O-N 2.74Å
280	K	93.8	Very high	92.9	Very high	93 Å²	93	48.5 Å²	48.5	40%	0.404	30%	0.299	S	S	.	.			trans	-94.8	97.8	-177	-173.9	172.9	174.6	-176.9	0	112.1	G276 A277 N278 E302 D328 L329	G276-K280 WeakPolarHBondContact O-CB 3.43Å; A277-K280 PolarHBondContact O-N 3Å; N278-K280 PolarHBondContact O-N 2.57Å; N278-K280 VanDerWaalsContact O-N 3.09Å; K280-E302 IonicContact NZ-OE1 2.7Å; K280-D328 CarbonylContact O-C 3.33Å; K280-D328 WeakPolarHBondContact O-CA 3.41Å; K280-L329 HydrophobicContact CB-CD1 4.32Å; K280-L329 HydrophobicContact CD-CD1 3.94Å; K280-L329 HydrophobicContact CG-CD1 4.01Å; K280-L329 WeakPolarHBondContact O-CG 3.34Å; K280-L329 PolarHBondContact O-N 3.13Å
281	I	94.6	Very high	92.7	Very high	22 Å²	22	53 Å²	53	11%	0.113	33%	0.327	C	S	.	.			trans	-71.1	143.9	177.3	-58	166.5	0	0	0	112.6	P244 A270 D272 G279 Y283 A326 Q327	P244-I281 HydrophobicContact CB-CD1 3.95Å; P244-I281 HydrophobicContact CB-CG1 3.9Å; P244-I281 HydrophobicContact CG-CD1 4.48Å; P244-I281 HydrophobicContact CG-CG1 3.91Å; A270-I281 VanDerWaalsContact C-CD1 3.42Å; A270-I281 HydrophobicContact CB-CD1 3.98Å; A270-I281 WeakPolarHBondContact O-CD1 3.43Å; D272-I281 HydrophobicContact CB-CD1 3.93Å; D272-I281 HydrophobicContact CB-CG1 3.97Å; G279-I281 PolarHBondContact O-N 2.74Å; I281-Y283 HydrophobicContact CG2-CD1 4.4Å; I281-Y283 HydrophobicContact CG2-CD2 4.34Å; I281-Y283 HydrophobicContact CG2-CE1 3.99Å; I281-Y283 HydrophobicContact CG2-CE2 3.92Å; I281-A326 HydrophobicContact CG2-CB 3.83Å; I281-Q327 CarbonylContact C-O 3.6Å
282	V	94.8	Very high	92.5	Very high	46 Å²	46	53.2 Å²	53.2	28%	0.279	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.2	166.5	179.1	0	0	0	0	109.4	S301 Q327 L329	V282-S301 WeakPolarHBondContact CA-O 3.5Å; V282-Q327 PolarHBondContact N-O 2.97Å; V282-Q327 PolarHBondContact O-N 2.83Å; V282-L329 HydrophobicContact CG2-CD1 3.96Å; V282-L329 HydrophobicContact CG2-CD2 3.86Å; V282-L329 HydrophobicContact CG2-CG 3.9Å
283	Y	95.5	Very high	92.4	Very high	15 Å²	15	53 Å²	53	6%	0.059	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.8	-178.9	-58.7	-87.4	0	0	0	112.2	F246 L268 A270 I281 S301 G304 A326	F246-Y283 HydrophobicContact CE1-CD1 4.26Å; F246-Y283 HydrophobicContact CE1-CE1 4.06Å; L268-Y283 WeakPolarHBondContact O-CE1 2.86Å; L268-Y283 PolarHBondContact O-OH 3.08Å; A270-Y283 HydrophobicContact CB-CE1 3.91Å; A270-Y283 PolarHBondContact N-OH 3.34Å; A270-Y283 PolarHBondContact O-OH 3.24Å; I281-Y283 HydrophobicContact CG2-CD1 4.4Å; I281-Y283 HydrophobicContact CG2-CD2 4.34Å; I281-Y283 HydrophobicContact CG2-CE1 3.99Å; I281-Y283 HydrophobicContact CG2-CE2 3.92Å; Y283-S301 PolarHBondContact N-O 2.94Å; Y283-S301 WeakPolarHBondContact O-CA 3.44Å; Y283-G304 VanDerWaalsContact CD2-N 3.3Å; Y283-A326 HydrophobicContact CD1-CB 4.1Å; Y283-A326 HydrophobicContact CE1-CB 4.06Å
284	S	94.8	Very high	92.2	Very high	40 Å²	40	54 Å²	54	28%	0.28	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	159.5	177.5	54.7	0	0	0	0	112.6	V324 Q325	S284-V324 WeakPolarHBondContact O-CG1 3.3Å; S284-Q325 PolarHBondContact N-O 3.27Å; S284-Q325 PolarHBondContact O-N 3.3Å; S284-Q325 WeakPolarHBondContact OG-CG 3.13Å
285	F	95.6	Very high	92.1	Very high	34 Å²	34	58.5 Å²	58.5	15%	0.149	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.5	166.5	-62.8	-55.5	0	0	0	109.9	V289 M294 F297 I299 L306 I322 V324	F285-V289 HydrophobicContact CB-CB 4.27Å; F285-V289 HydrophobicContact CB-CG1 4.35Å; F285-V289 HydrophobicContact CB-CG2 4.26Å; F285-M294 HydrophobicContact CB-CE 4Å; F285-M294 HydrophobicContact CD2-CG 3.98Å; F285-F297 VanDerWaalsContact CE2-O 3.32Å; F285-F297 WeakPolarHBondContact CE2-O 3.49Å; F285-F297 HydrophobicContact CZ-CB 4.15Å; F285-F297 WeakPolarHBondContact CZ-O 3.36Å; F285-I299 HydrophobicContact CD2-CG2 4.38Å; F285-I299 HydrophobicContact CE1-CB 4.37Å; F285-I299 HydrophobicContact CE1-CG2 4.36Å; F285-I299 HydrophobicContact CE2-CG2 4.2Å; F285-I299 HydrophobicContact CZ-CB 4.22Å; F285-I299 HydrophobicContact CZ-CG2 4.18Å; F285-L306 HydrophobicContact CE1-CD1 3.83Å; F285-L306 HydrophobicContact CZ-CD1 3.96Å; F285-I322 HydrophobicContact CD1-CG2 3.7Å; F285-I322 HydrophobicContact CE1-CG2 3.7Å; F285-V324 HydrophobicContact CD1-CG2 4.19Å; F285-V324 HydrophobicContact CE1-CG2 4.43Å
286	S	93.8	Very high	92.2	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.014	32%	0.315	C	S	.	.			trans	-72.3	158.1	179.1	-160.7	0	0	0	0	112.7	H288 V289 D323 Q325	S286-H288 VanDerWaalsContact CB-CE1 3.42Å; S286-H288 WeakPolarHBondContact CB-CE1 3.34Å; S286-H288 PolarHBondContact O-N 2.66Å; S286-H288 PolarHBondContact OG-CE1 2.87Å; S286-H288 PolarHBondContact OG-ND1 2.83Å; S286-V289 WeakPolarHBondContact O-CB 3.4Å; S286-V289 WeakPolarHBondContact O-CG2 3.42Å; S286-V289 PolarHBondContact O-N 3.43Å; S286-D323 WeakPolarHBondContact CB-O 3.41Å; S286-D323 PolarHBondContact N-O 2.76Å; S286-Q325 PolarHBondContact OG-OE1 3.47Å
287	S	88.3	Confident	92.4	Very high	117 Å²	117	49.9 Å²	49.9	82%	0.818	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.7	-169.2	58.6	0	0	0	0	115.4
288	H	87.3	Confident	92.5	Very high	116 Å²	116	53.3 Å²	53.3	54%	0.537	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.3	177.5	49.1	-83.9	0	0	0	113.7	S286 S290 D323	S286-H288 VanDerWaalsContact CB-CE1 3.42Å; S286-H288 WeakPolarHBondContact CB-CE1 3.34Å; S286-H288 PolarHBondContact O-N 2.66Å; S286-H288 PolarHBondContact OG-CE1 2.87Å; S286-H288 PolarHBondContact OG-ND1 2.83Å; H288-S290 PolarHBondContact O-N 2.96Å; H288-D323 IonicContact CD2-OD2 2.84Å; H288-D323 VanDerWaalsContact NE2-CB 3.25Å; H288-D323 WeakPolarHBondContact NE2-CB 3.32Å; H288-D323 IonicContact NE2-OD2 3Å
289	V	91.9	Very high	92.7	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	29%	0.287	C	S	.	.	S	Bend	trans	-65.4	129.7	175.9	174.5	0	0	0	0	110.1	F285 S286 I293 M294 D323	F285-V289 HydrophobicContact CB-CB 4.27Å; F285-V289 HydrophobicContact CB-CG1 4.35Å; F285-V289 HydrophobicContact CB-CG2 4.26Å; S286-V289 WeakPolarHBondContact O-CB 3.4Å; S286-V289 WeakPolarHBondContact O-CG2 3.42Å; S286-V289 PolarHBondContact O-N 3.43Å; V289-I293 HydrophobicContact CG1-CB 3.66Å; V289-I293 HydrophobicContact CG1-CD1 4.07Å; V289-I293 HydrophobicContact CG1-CG1 4.48Å; V289-I293 HydrophobicContact CG1-CG2 3.5Å; V289-M294 HydrophobicContact CB-CE 3.98Å; V289-M294 HydrophobicContact CG1-CE 4.25Å; V289-M294 HydrophobicContact CG1-CG 4.24Å; V289-D323 HydrophobicContact CG2-CB 4.37Å; V289-D323 VanDerWaalsContact CG2-O 3.23Å; V289-D323 WeakPolarHBondContact CG2-O 3.46Å
290	S	91.2	Very high	92.9	Very high	51 Å²	51	54.2 Å²	54.2	36%	0.357	29%	0.287	S	S	.	.			trans	-66.6	148.4	-176.4	79	0	0	0	0	112.6	H288 K292 I293 M294	H288-S290 PolarHBondContact O-N 2.96Å; S290-K292 PolarHBondContact O-N 3.41Å; S290-I293 WeakPolarHBondContact O-CB 3.39Å; S290-I293 PolarHBondContact O-N 3.13Å; S290-I293 WeakPolarHBondContact OG-CD1 3.29Å; S290-I293 WeakPolarHBondContact OG-CG1 2.95Å; S290-M294 PolarHBondContact O-N 2.81Å
291	P	89.6	Confident	92.9	Very high	100 Å²	100	52.7 Å²	52.7	65%	0.649	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-28.8	179	23.4	-33.7	0	0	0	113	I293 M294 E295	P291-I293 PolarHBondContact O-N 3.47Å; P291-M294 PolarHBondContact O-N 2.91Å; P291-E295 PolarHBondContact O-N 2.84Å
292	K	89.4	Confident	92.8	Very high	93 Å²	93	57.8 Å²	57.8	40%	0.404	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-34.2	173.1	-169.2	-170.2	178.5	-168.5	0	111.7	S290 T296 T317	S290-K292 PolarHBondContact O-N 3.41Å; K292-T296 PolarHBondContact O-N 3.5Å; K292-T296 PolarHBondContact O-OG1 2.95Å; K292-T296 VanDerWaalsContact O-OG1 3.05Å; K292-T317 PolarHBondContact NZ-OG1 2.82Å
293	I	92.3	Very high	92.6	Very high	17 Å²	17	62.2 Å²	62.2	9%	0.087	32%	0.323	C	S	.	.	H	α-helix	trans	-72.7	-44	176.5	-67.4	163.9	0	0	0	110.2	V289 S290 P291 E295 T296 F297 Y320 E321 I322	V289-I293 HydrophobicContact CG1-CB 3.66Å; V289-I293 HydrophobicContact CG1-CD1 4.07Å; V289-I293 HydrophobicContact CG1-CG1 4.48Å; V289-I293 HydrophobicContact CG1-CG2 3.5Å; S290-I293 WeakPolarHBondContact O-CB 3.39Å; S290-I293 PolarHBondContact O-N 3.13Å; S290-I293 WeakPolarHBondContact OG-CD1 3.29Å; S290-I293 WeakPolarHBondContact OG-CG1 2.95Å; P291-I293 PolarHBondContact O-N 3.47Å; I293-E295 PolarHBondContact O-N 2.89Å; I293-T296 PolarHBondContact O-N 2.81Å; I293-F297 HydrophobicContact CG2-CD2 4.06Å; I293-F297 PolarHBondContact O-N 2.95Å; I293-Y320 HydrophobicContact CG1-CD1 4.06Å; I293-E321 VanDerWaalsContact CD1-O 3.32Å; I293-E321 WeakPolarHBondContact CD1-O 3.46Å; I293-I322 HydrophobicContact CG2-CB 4.42Å; I293-I322 HydrophobicContact CG2-CD1 3.79Å; I293-I322 HydrophobicContact CG2-CG1 3.74Å; I293-I322 HydrophobicContact CG2-CG2 4.02Å
294	M	90.7	Very high	92.4	Very high	87 Å²	87	61.5 Å²	61.5	43%	0.429	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-24.6	177.3	-58.2	-175	-177.9	0	0	113.3	F285 V289 S290 P291	F285-M294 HydrophobicContact CB-CE 4Å; F285-M294 HydrophobicContact CD2-CG 3.98Å; V289-M294 HydrophobicContact CB-CE 3.98Å; V289-M294 HydrophobicContact CG1-CE 4.25Å; V289-M294 HydrophobicContact CG1-CG 4.24Å; S290-M294 PolarHBondContact O-N 2.81Å; P291-M294 PolarHBondContact O-N 2.91Å
295	E	91.9	Very high	92.4	Very high	106 Å²	106	62.4 Å²	62.4	50%	0.495	32%	0.32	S	S	.	.	H	α-helix	trans	-75.2	-24.9	168	-80.6	-173.9	-144.3	0	0	113.9	P291 I293 K310	P291-E295 PolarHBondContact O-N 2.84Å; I293-E295 PolarHBondContact O-N 2.89Å; E295-K310 WeakPolarHBondContact O-CB 3.35Å; E295-K310 IonicContact OE2-NZ 3.51Å; E295-K310 PolarHBondContact OE2-NZ 2.94Å
296	T	94.2	Very high	92.4	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-99.6	-35	-172.2	-64.6	0	0	0	0	113	K292 I293 L308 F309 K310 V312	K292-T296 PolarHBondContact O-N 3.5Å; K292-T296 PolarHBondContact O-OG1 2.95Å; K292-T296 VanDerWaalsContact O-OG1 3.05Å; I293-T296 PolarHBondContact O-N 2.81Å; T296-L308 HydrophobicContact CG2-CD1 4.37Å; T296-F309 WeakPolarHBondContact O-CA 3.13Å; T296-F309 PolarHBondContact O-N 3.1Å; T296-K310 HydrophobicContact CG2-CB 4.48Å; T296-K310 PolarHBondContact O-N 2.85Å; T296-K310 VanDerWaalsContact O-N 3.1Å; T296-V312 HydrophobicContact CG2-CG1 3.58Å
297	F	95.9	Very high	92.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.5	-177.1	-57.4	-81.1	0	0	0	110.4	L255 L265 F285 I293 L306 T307 L308 V312 Y320 I322 I342	L255-F297 HydrophobicContact CD2-CE1 4.06Å; L255-F297 HydrophobicContact CD2-CZ 4.41Å; L265-F297 HydrophobicContact CD1-CD1 3.45Å; L265-F297 VanDerWaalsContact CD1-CD1 3.45Å; L265-F297 HydrophobicContact CD1-CE1 3.65Å; F285-F297 VanDerWaalsContact CE2-O 3.32Å; F285-F297 WeakPolarHBondContact CE2-O 3.49Å; F285-F297 HydrophobicContact CZ-CB 4.15Å; F285-F297 WeakPolarHBondContact CZ-O 3.36Å; I293-F297 HydrophobicContact CG2-CD2 4.06Å; I293-F297 PolarHBondContact O-N 2.95Å; F297-L306 HydrophobicContact CB-CD1 4.23Å; F297-T307 WeakPolarHBondContact CA-O 3.38Å; F297-L308 HydrophobicContact CD1-CD1 4.01Å; F297-L308 HydrophobicContact CE1-CD1 3.6Å; F297-L308 HydrophobicContact CZ-CD1 4.31Å; F297-V312 HydrophobicContact CZ-CG1 3.94Å; F297-Y320 AromaticContact CE2-CD1 3.79Å; F297-Y320 HydrophobicContact CE2-CD1 3.79Å; F297-Y320 AromaticContact CE2-CD2 3.89Å; F297-Y320 HydrophobicContact CE2-CD2 3.89Å; F297-Y320 HydrophobicContact CE2-CE1 4.09Å; F297-Y320 HydrophobicContact CE2-CE2 4.22Å; F297-Y320 AromaticContact CE2-CG 3.66Å; F297-Y320 HydrophobicContact CE2-CG 3.66Å; F297-Y320 AromaticContact CZ-CD2 3.88Å; F297-Y320 HydrophobicContact CZ-CD2 3.88Å; F297-Y320 HydrophobicContact CZ-CE2 4.19Å; F297-Y320 HydrophobicContact CZ-CG 4.1Å; F297-I322 HydrophobicContact CB-CD1 4.33Å; F297-I322 HydrophobicContact CD1-CD1 4.47Å; F297-I322 HydrophobicContact CD2-CD1 3.56Å; F297-I322 HydrophobicContact CE2-CD1 3.91Å; F297-I322 HydrophobicContact CG-CD1 3.86Å; F297-I342 HydrophobicContact CD1-CD1 3.88Å; F297-I342 HydrophobicContact CE1-CD1 3.43Å; F297-I342 VanDerWaalsContact CE1-CD1 3.43Å; F297-I342 HydrophobicContact CE2-CD1 4.35Å; F297-I342 HydrophobicContact CZ-CD1 3.7Å
298	K	94.8	Very high	92.8	Very high	123 Å²	123	57 Å²	57	54%	0.535	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.3	176.8	-176.2	-179.1	177.2	-172.8	0	110.8	T307 F309	K298-T307 PolarHBondContact N-O 2.9Å; K298-T307 PolarHBondContact O-N 2.88Å; K298-T307 PolarHBondContact O-OG1 2.82Å; K298-F309 HydrophobicContact CB-CB 4.13Å
299	I	95.6	Very high	93.2	Very high	18 Å²	18	57.4 Å²	57.4	9%	0.092	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141	171.3	-167.1	161.9	0	0	0	111	L268 F285 H305 L306 V324	L268-I299 HydrophobicContact CD1-CD1 3.74Å; F285-I299 HydrophobicContact CD2-CG2 4.38Å; F285-I299 HydrophobicContact CE1-CB 4.37Å; F285-I299 HydrophobicContact CE1-CG2 4.36Å; F285-I299 HydrophobicContact CE2-CG2 4.2Å; F285-I299 HydrophobicContact CZ-CB 4.22Å; F285-I299 HydrophobicContact CZ-CG2 4.18Å; I299-H305 CarbonylContact C-O 3.59Å; I299-H305 WeakPolarHBondContact CA-O 3.34Å; I299-L306 HydrophobicContact CB-CD1 4.4Å; I299-V324 HydrophobicContact CD1-CG1 3.54Å; I299-V324 HydrophobicContact CD1-CG2 4.35Å
300	D	95.3	Very high	93.2	Very high	43 Å²	43	61.5 Å²	61.5	23%	0.23	30%	0.302	C	S	.	.			trans	-78.3	119.9	165.3	-176	-37.2	0	0	0	108.6	E302 R303 G304 H305	D300-E302 VanDerWaalsContact C-N 3.29Å; D300-E302 PolarHBondContact O-N 3.49Å; D300-E302 PolarHBondContact OD1-N 2.82Å; D300-R303 HydrophobicContact CB-CB 4.1Å; D300-R303 PolarHBondContact OD1-N 2.95Å; D300-R303 IonicContact OD1-NH1 3.01Å; D300-R303 IonicContact OD2-CZ 2.61Å; D300-R303 IonicContact OD2-NH1 3.09Å; D300-R303 PolarHBondContact OD2-NH1 3.01Å; D300-G304 WeakPolarHBondContact O-CA 3.06Å; D300-G304 PolarHBondContact O-N 3.18Å; D300-H305 HydrophobicContact CB-CB 3.96Å; D300-H305 PolarHBondContact N-O 3.36Å
301	S	93.8	Very high	93.3	Very high	61 Å²	61	65.6 Å²	65.6	43%	0.427	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.3	-174.6	56	0	0	0	0	114.3	V282 Y283	V282-S301 WeakPolarHBondContact CA-O 3.5Å; Y283-S301 PolarHBondContact N-O 2.94Å; Y283-S301 WeakPolarHBondContact O-CA 3.44Å
302	E	91.5	Very high	93.6	Very high	129 Å²	129	61.3 Å²	61.3	60%	0.603	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-25.1	177.1	-62.4	-164.9	126.7	0	0	112.9	K280 D300	K280-E302 IonicContact NZ-OE1 2.7Å; D300-E302 VanDerWaalsContact C-N 3.29Å; D300-E302 PolarHBondContact O-N 3.49Å; D300-E302 PolarHBondContact OD1-N 2.82Å
303	R	91	Very high	93.8	Very high	140 Å²	140	59.9 Å²	59.9	53%	0.528	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-13.4	-176.8	-60.1	-175.6	-178.9	70.3	13.5	115.8	D300 H305	D300-R303 HydrophobicContact CB-CB 4.1Å; D300-R303 PolarHBondContact OD1-N 2.95Å; D300-R303 IonicContact OD1-NH1 3.01Å; D300-R303 IonicContact OD2-CZ 2.61Å; D300-R303 IonicContact OD2-NH1 3.09Å; D300-R303 PolarHBondContact OD2-NH1 3.01Å; R303-H305 HydrophobicContact CB-CB 4.49Å; R303-H305 PolarHBondContact O-N 2.84Å; R303-H305 VanDerWaalsContact O-N 3.07Å
304	G	91.4	Very high	94	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.288	C	S	.	.			trans	71	-4.3	-172.7	0	0	0	0	0	114.9	L268 Y283 D300 L306	L268-G304 WeakPolarHBondContact CB-O 3.42Å; L268-G304 PolarHBondContact N-O 3.43Å; Y283-G304 VanDerWaalsContact CD2-N 3.3Å; D300-G304 WeakPolarHBondContact O-CA 3.06Å; D300-G304 PolarHBondContact O-N 3.18Å; G304-L306 PolarHBondContact O-N 2.99Å
305	H	95.1	Very high	94.1	Very high	59 Å²	59	59.5 Å²	59.5	27%	0.273	28%	0.279	S	S	.	.			trans	-54.2	113.2	177.3	-72	-164.6	0	0	0	111.5	L264 D267 I299 D300 R303	L264-H305 HydrophobicContact CD1-CB 3.7Å; D267-H305 IonicContact OD1-CD2 2.68Å; D267-H305 PolarHBondContact OD1-CD2 2.61Å; D267-H305 VanDerWaalsContact OD1-CD2 3.27Å; D267-H305 IonicContact OD1-NE2 2.7Å; I299-H305 CarbonylContact C-O 3.59Å; I299-H305 WeakPolarHBondContact CA-O 3.34Å; D300-H305 HydrophobicContact CB-CB 3.96Å; D300-H305 PolarHBondContact N-O 3.36Å; R303-H305 HydrophobicContact CB-CB 4.49Å; R303-H305 PolarHBondContact O-N 2.84Å; R303-H305 VanDerWaalsContact O-N 3.07Å
306	L	95.6	Very high	94.2	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123	172.9	-177	64.5	0	0	0	109.9	L265 L266 L268 F285 F297 I299 G304 I340 I342	L265-L306 HydrophobicContact CB-CG 4.43Å; L265-L306 WeakPolarHBondContact CB-O 3.4Å; L265-L306 HydrophobicContact CD1-CG 4.24Å; L265-L306 PolarHBondContact N-O 3.25Å; L266-L306 HydrophobicContact CB-CB 4.38Å; L266-L306 PolarHBondContact O-N 3.2Å; L268-L306 HydrophobicContact CD1-CB 4.41Å; F285-L306 HydrophobicContact CE1-CD1 3.83Å; F285-L306 HydrophobicContact CZ-CD1 3.96Å; F297-L306 HydrophobicContact CB-CD1 4.23Å; I299-L306 HydrophobicContact CB-CD1 4.4Å; G304-L306 PolarHBondContact O-N 2.99Å; L306-I340 HydrophobicContact CD2-CD1 3.78Å; L306-I340 HydrophobicContact CD2-CG2 4.19Å; L306-I342 HydrophobicContact CD2-CD1 4.41Å
307	T	95.3	Very high	94.1	Very high	37 Å²	37	61.2 Å²	61.2	23%	0.227	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.8	-172.7	59.9	0	0	0	0	112.8	T263 L264 F297 K298 F309	T263-T307 WeakPolarHBondContact O-CA 3.35Å; L264-T307 HydrophobicContact CD1-CG2 4.02Å; F297-T307 WeakPolarHBondContact CA-O 3.38Å; K298-T307 PolarHBondContact N-O 2.9Å; K298-T307 PolarHBondContact O-N 2.88Å; K298-T307 PolarHBondContact O-OG1 2.82Å; T307-F309 PolarHBondContact O-N 3.04Å
308	L	96.3	Very high	94	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.8	173.6	-172.6	65.7	0	0	0	110.2	L255 S259 G262 T263 L265 T296 F297 K310 V312	L255-L308 HydrophobicContact CD2-CD1 4.1Å; S259-L308 VanDerWaalsContact O-CD2 3.31Å; S259-L308 WeakPolarHBondContact O-CD2 3.31Å; G262-L308 PolarHBondContact N-O 2.76Å; T263-L308 PolarHBondContact O-N 2.92Å; L265-L308 HydrophobicContact CD1-CB 4.27Å; T296-L308 HydrophobicContact CG2-CD1 4.37Å; F297-L308 HydrophobicContact CD1-CD1 4.01Å; F297-L308 HydrophobicContact CE1-CD1 3.6Å; F297-L308 HydrophobicContact CZ-CD1 4.31Å; L308-K310 WeakPolarHBondContact CD1-O 3.13Å; L308-K310 WeakPolarHBondContact CG-O 3.34Å; L308-V312 HydrophobicContact CD1-CG1 4.06Å; L308-V312 HydrophobicContact CD1-CG2 4.47Å
309	F	93.8	Very high	94	Very high	126 Å²	126	62.9 Å²	62.9	55%	0.553	31%	0.308	S	S	*	.			trans	-100.8	-23.1	-177.1	-172.8	-108.4	0	0	0	113.7	V261 T296 K298 T307	V261-F309 VanDerWaalsContact CG1-O 3.29Å; V261-F309 WeakPolarHBondContact CG1-O 3.19Å; T296-F309 WeakPolarHBondContact O-CA 3.13Å; T296-F309 PolarHBondContact O-N 3.1Å; K298-F309 HydrophobicContact CB-CB 4.13Å; T307-F309 PolarHBondContact O-N 3.04Å
310	K	93.8	Very high	93.9	Very high	96 Å²	96	62.8 Å²	62.8	42%	0.417	31%	0.307	S	S	.	.	S	Bend	trans	-136.2	151.1	177.9	-161.1	177.4	-176	178.7	0	108.1	E295 T296 L308	E295-K310 WeakPolarHBondContact O-CB 3.35Å; E295-K310 IonicContact OE2-NZ 3.51Å; E295-K310 PolarHBondContact OE2-NZ 2.94Å; T296-K310 HydrophobicContact CG2-CB 4.48Å; T296-K310 PolarHBondContact O-N 2.85Å; T296-K310 VanDerWaalsContact O-N 3.1Å; L308-K310 WeakPolarHBondContact CD1-O 3.13Å; L308-K310 WeakPolarHBondContact CG-O 3.34Å
311	Q	92.9	Very high	93.9	Very high	137 Å²	137	65.4 Å²	65.4	64%	0.64	32%	0.318	S	S	*	.			trans	-61	145.3	172.4	-67.9	178.3	-79.7	0	0	110.6	V261	V261-Q311 HydrophobicContact CG2-CG 4.08Å
312	V	94.6	Very high	93.9	Very high	11 Å²	11	62.5 Å²	62.5	7%	0.067	30%	0.297	C	S	.	.			trans	-100.6	165.2	171.2	-76.9	0	0	0	0	109.2	L255 E257 T296 F297 L308 Y320	L255-V312 HydrophobicContact CD2-CG1 4.42Å; L255-V312 HydrophobicContact CD2-CG2 3.8Å; L255-V312 HydrophobicContact CG-CG2 4.21Å; E257-V312 HydrophobicContact CB-CG2 4.32Å; T296-V312 HydrophobicContact CG2-CG1 3.58Å; F297-V312 HydrophobicContact CZ-CG1 3.94Å; L308-V312 HydrophobicContact CD1-CG1 4.06Å; L308-V312 HydrophobicContact CD1-CG2 4.47Å; V312-Y320 HydrophobicContact CB-CE2 4.33Å; V312-Y320 HydrophobicContact CG1-CE2 3.61Å
313	D	94.3	Very high	94.1	Very high	63 Å²	63	57.9 Å²	57.9	34%	0.337	28%	0.277	S	S	.	.			trans	-151.1	118.8	-169.9	169.8	-45.6	0	0	0	106	E315 I316 T317	D313-E315 PolarHBondContact OD1-N 3.16Å; D313-I316 HydrophobicContact CB-CB 4.25Å; D313-I316 HydrophobicContact CB-CD1 4.41Å; D313-I316 WeakPolarHBondContact OD1-CB 3.41Å; D313-I316 WeakPolarHBondContact OD1-CG1 3.23Å; D313-I316 PolarHBondContact OD1-N 2.78Å; D313-I316 WeakPolarHBondContact OD2-CD1 3.48Å; D313-T317 PolarHBondContact O-N 3.33Å
314	Y	95.6	Very high	94.3	Very high	43 Å²	43	51.2 Å²	51.2	17%	0.169	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-40	-172.3	-179.6	-108.4	0	0	0	111.1	E257 I316 T317 K318 V344 D346	E257-Y314 WeakPolarHBondContact OE1-CB 3.08Å; E257-Y314 WeakPolarHBondContact OE2-CB 3.46Å; E257-Y314 PolarHBondContact OE2-N 3.25Å; Y314-I316 PolarHBondContact O-N 3.33Å; Y314-T317 PolarHBondContact O-N 2.92Å; Y314-K318 HydrophobicContact CD1-CD 4.45Å; Y314-K318 HydrophobicContact CD1-CG 4.36Å; Y314-K318 HydrophobicContact CD2-CB 3.96Å; Y314-K318 HydrophobicContact CD2-CD 4.41Å; Y314-K318 HydrophobicContact CD2-CG 3.73Å; Y314-K318 HydrophobicContact CE1-CD 3.93Å; Y314-K318 HydrophobicContact CE1-CG 4.24Å; Y314-K318 HydrophobicContact CE2-CB 3.72Å; Y314-K318 HydrophobicContact CE2-CD 3.87Å; Y314-K318 HydrophobicContact CE2-CG 3.58Å; Y314-K318 HydrophobicContact CG-CG 4.1Å; Y314-K318 WeakPolarHBondContact O-CG 3.39Å; Y314-K318 PolarHBondContact O-N 3.2Å; Y314-V344 HydrophobicContact CD2-CB 3.98Å; Y314-V344 HydrophobicContact CD2-CG1 3.98Å; Y314-V344 WeakPolarHBondContact CD2-O 3.45Å; Y314-V344 WeakPolarHBondContact CE2-O 3.46Å; Y314-V344 HydrophobicContact CG-CG1 4.44Å; Y314-D346 HydrophobicContact CD1-CB 3.7Å; Y314-D346 HydrophobicContact CD2-CB 4.4Å; Y314-D346 HydrophobicContact CE1-CB 3.56Å; Y314-D346 WeakPolarHBondContact CE1-OD2 3.46Å; Y314-D346 HydrophobicContact CE2-CB 4.3Å; Y314-D346 HydrophobicContact CG-CB 4.15Å
315	E	94.7	Very high	94.4	Very high	52 Å²	52	52.6 Å²	52.6	24%	0.243	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.4	176.8	-78.4	48.4	-106.8	0	0	111.6	D313 K387	D313-E315 PolarHBondContact OD1-N 3.16Å; E315-K387 HydrophobicContact CG-CB 3.57Å; E315-K387 HydrophobicContact CG-CD 4.21Å
316	I	92.3	Very high	94.4	Very high	116 Å²	116	49.8 Å²	49.8	60%	0.595	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-40.5	177.9	-66.5	177.5	0	0	0	112.1	D313 Y314	D313-I316 HydrophobicContact CB-CB 4.25Å; D313-I316 HydrophobicContact CB-CD1 4.41Å; D313-I316 WeakPolarHBondContact OD1-CB 3.41Å; D313-I316 WeakPolarHBondContact OD1-CG1 3.23Å; D313-I316 PolarHBondContact OD1-N 2.78Å; D313-I316 WeakPolarHBondContact OD2-CD1 3.48Å; Y314-I316 PolarHBondContact O-N 3.33Å
317	T	92.4	Very high	94.4	Very high	30 Å²	30	52.8 Å²	52.8	18%	0.184	26%	0.259	C	S	.	.			trans	-154	88.8	-176.1	-57	0	0	0	0	113.6	K292 D313 Y314 S319 Y320 V344	K292-T317 PolarHBondContact NZ-OG1 2.82Å; D313-T317 PolarHBondContact O-N 3.33Å; Y314-T317 PolarHBondContact O-N 2.92Å; T317-S319 WeakPolarHBondContact CG2-O 3.21Å; T317-S319 PolarHBondContact O-N 2.86Å; T317-S319 VanDerWaalsContact O-N 3.13Å; T317-Y320 HydrophobicContact CG2-CD1 4.03Å; T317-Y320 HydrophobicContact CG2-CD2 4.23Å; T317-Y320 HydrophobicContact CG2-CE1 3.68Å; T317-Y320 HydrophobicContact CG2-CE2 3.84Å; T317-Y320 HydrophobicContact CG2-CG 4.32Å; T317-V344 WeakPolarHBondContact O-CG2 3.49Å
318	K	93.3	Very high	94.3	Very high	86 Å²	86	51.4 Å²	51.4	37%	0.374	25%	0.25	S	S	.	.	S	Bend	trans	-60.6	-19.2	-179.4	-58.5	-171.1	178.1	-127	0	115.9	Y314 V344 S389	Y314-K318 HydrophobicContact CD1-CD 4.45Å; Y314-K318 HydrophobicContact CD1-CG 4.36Å; Y314-K318 HydrophobicContact CD2-CB 3.96Å; Y314-K318 HydrophobicContact CD2-CD 4.41Å; Y314-K318 HydrophobicContact CD2-CG 3.73Å; Y314-K318 HydrophobicContact CE1-CD 3.93Å; Y314-K318 HydrophobicContact CE1-CG 4.24Å; Y314-K318 HydrophobicContact CE2-CB 3.72Å; Y314-K318 HydrophobicContact CE2-CD 3.87Å; Y314-K318 HydrophobicContact CE2-CG 3.58Å; Y314-K318 HydrophobicContact CG-CG 4.1Å; Y314-K318 WeakPolarHBondContact O-CG 3.39Å; Y314-K318 PolarHBondContact O-N 3.2Å; K318-V344 PolarHBondContact O-N 2.8Å; K318-S389 PolarHBondContact NZ-OG 2.95Å
319	S	94.8	Very high	94.2	Very high	73 Å²	73	56.1 Å²	56.1	51%	0.51	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	144	177	58.9	0	0	0	0	112.7	T317 I342	T317-S319 WeakPolarHBondContact CG2-O 3.21Å; T317-S319 PolarHBondContact O-N 2.86Å; T317-S319 VanDerWaalsContact O-N 3.13Å; S319-I342 CarbonylContact C-O 3.57Å; S319-I342 VanDerWaalsContact CA-O 3.26Å; S319-I342 WeakPolarHBondContact CA-O 3.25Å
320	Y	94.6	Very high	94	Very high	16 Å²	16	50.8 Å²	50.8	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138	171.6	-61.1	-94.6	0	0	0	110.2	I293 F297 V312 T317 I341 I342 V344	I293-Y320 HydrophobicContact CG1-CD1 4.06Å; F297-Y320 AromaticContact CE2-CD1 3.79Å; F297-Y320 HydrophobicContact CE2-CD1 3.79Å; F297-Y320 AromaticContact CE2-CD2 3.89Å; F297-Y320 HydrophobicContact CE2-CD2 3.89Å; F297-Y320 HydrophobicContact CE2-CE1 4.09Å; F297-Y320 HydrophobicContact CE2-CE2 4.22Å; F297-Y320 AromaticContact CE2-CG 3.66Å; F297-Y320 HydrophobicContact CE2-CG 3.66Å; F297-Y320 AromaticContact CZ-CD2 3.88Å; F297-Y320 HydrophobicContact CZ-CD2 3.88Å; F297-Y320 HydrophobicContact CZ-CE2 4.19Å; F297-Y320 HydrophobicContact CZ-CG 4.1Å; V312-Y320 HydrophobicContact CB-CE2 4.33Å; V312-Y320 HydrophobicContact CG1-CE2 3.61Å; T317-Y320 HydrophobicContact CG2-CD1 4.03Å; T317-Y320 HydrophobicContact CG2-CD2 4.23Å; T317-Y320 HydrophobicContact CG2-CE1 3.68Å; T317-Y320 HydrophobicContact CG2-CE2 3.84Å; T317-Y320 HydrophobicContact CG2-CG 4.32Å; Y320-I341 CarbonylContact O-C 3.58Å; Y320-I341 WeakPolarHBondContact O-CA 3.09Å; Y320-I342 PolarHBondContact N-O 2.76Å; Y320-I342 PolarHBondContact O-N 2.71Å; Y320-V344 HydrophobicContact CD2-CG2 4Å; Y320-V344 HydrophobicContact CE2-CG2 3.82Å
321	E	94.5	Very high	93.7	Very high	98 Å²	98	50.3 Å²	50.3	46%	0.458	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.2	171.3	-177.5	161.8	123.4	0	0	107.1	I293 K339	I293-E321 VanDerWaalsContact CD1-O 3.32Å; I293-E321 WeakPolarHBondContact CD1-O 3.46Å; E321-K339 HydrophobicContact CG-CD 4.38Å; E321-K339 HydrophobicContact CG-CG 4.45Å; E321-K339 WeakPolarHBondContact OE1-CE 3.13Å; E321-K339 IonicContact OE1-NZ 3.2Å; E321-K339 PolarHBondContact OE1-NZ 3.18Å; E321-K339 WeakPolarHBondContact OE2-CE 3.44Å; E321-K339 IonicContact OE2-NZ 2.75Å; E321-K339 PolarHBondContact OE2-NZ 3.44Å
322	I	94.8	Very high	93.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	105.9	-169.6	-48.1	-177.4	0	0	0	108.9	F285 I293 F297 V324 I340 I342	F285-I322 HydrophobicContact CD1-CG2 3.7Å; F285-I322 HydrophobicContact CE1-CG2 3.7Å; I293-I322 HydrophobicContact CG2-CB 4.42Å; I293-I322 HydrophobicContact CG2-CD1 3.79Å; I293-I322 HydrophobicContact CG2-CG1 3.74Å; I293-I322 HydrophobicContact CG2-CG2 4.02Å; F297-I322 HydrophobicContact CB-CD1 4.33Å; F297-I322 HydrophobicContact CD1-CD1 4.47Å; F297-I322 HydrophobicContact CD2-CD1 3.56Å; F297-I322 HydrophobicContact CE2-CD1 3.91Å; F297-I322 HydrophobicContact CG-CD1 3.86Å; I322-V324 HydrophobicContact CG2-CG2 4.22Å; I322-V324 PolarHBondContact O-N 2.84Å; I322-I340 HydrophobicContact CB-CB 4.39Å; I322-I340 PolarHBondContact N-O 3.02Å; I322-I340 PolarHBondContact O-N 2.99Å; I322-I342 HydrophobicContact CD1-CD1 3.68Å; I322-I342 HydrophobicContact CD1-CG1 4.35Å
323	D	94.4	Very high	93.3	Very high	32 Å²	32	51.7 Å²	51.7	17%	0.171	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	108.3	175.4	-55.8	-71.3	0	0	0	109.8	S286 H288 V289	S286-D323 WeakPolarHBondContact CB-O 3.41Å; S286-D323 PolarHBondContact N-O 2.76Å; H288-D323 IonicContact CD2-OD2 2.84Å; H288-D323 VanDerWaalsContact NE2-CB 3.25Å; H288-D323 WeakPolarHBondContact NE2-CB 3.32Å; H288-D323 IonicContact NE2-OD2 3Å; V289-D323 HydrophobicContact CG2-CB 4.37Å; V289-D323 VanDerWaalsContact CG2-O 3.23Å; V289-D323 WeakPolarHBondContact CG2-O 3.46Å
324	V	95.3	Very high	93.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	148	176.1	178.4	0	0	0	0	108.9	F246 L268 S284 F285 I299 I322 H337 C338 I340	F246-V324 HydrophobicContact CZ-CG1 4.27Å; L268-V324 HydrophobicContact CD1-CB 4.44Å; L268-V324 HydrophobicContact CD1-CG1 4.05Å; L268-V324 HydrophobicContact CD1-CG2 4.18Å; S284-V324 WeakPolarHBondContact O-CG1 3.3Å; F285-V324 HydrophobicContact CD1-CG2 4.19Å; F285-V324 HydrophobicContact CE1-CG2 4.43Å; I299-V324 HydrophobicContact CD1-CG1 3.54Å; I299-V324 HydrophobicContact CD1-CG2 4.35Å; I322-V324 HydrophobicContact CG2-CG2 4.22Å; I322-V324 PolarHBondContact O-N 2.84Å; V324-H337 WeakPolarHBondContact O-CA 3.2Å; V324-C338 PolarHBondContact N-O 3.3Å; V324-C338 PolarHBondContact O-N 3.33Å; V324-I340 HydrophobicContact CB-CD1 4.36Å; V324-I340 HydrophobicContact CG2-CD1 3.57Å; V324-I340 HydrophobicContact CG2-CG1 4.43Å
325	Q	94.6	Very high	93	Very high	28 Å²	28	53.9 Å²	53.9	13%	0.131	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.2	170.4	68.8	-174.9	50.2	0	0	112	S284 S286 P335 A336 H337	S284-Q325 PolarHBondContact N-O 3.27Å; S284-Q325 PolarHBondContact O-N 3.3Å; S284-Q325 WeakPolarHBondContact OG-CG 3.13Å; S286-Q325 PolarHBondContact OG-OE1 3.47Å; Q325-P335 HydrophobicContact CB-CB 4.43Å; Q325-A336 CarbonylContact C-O 3.48Å; Q325-A336 WeakPolarHBondContact CA-O 3.42Å; Q325-A336 WeakPolarHBondContact CB-O 3.42Å; Q325-H337 WeakPolarHBondContact CB-ND1 3.38Å
326	A	95.3	Very high	92.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.1	167.4	0	0	0	0	0	107.3	P244 F246 A270 I281 Y283 P335 A336	P244-A326 HydrophobicContact CB-CB 3.95Å; F246-A326 HydrophobicContact CD2-CB 4.41Å; F246-A326 HydrophobicContact CE1-CB 4.06Å; F246-A326 HydrophobicContact CE2-CB 3.6Å; F246-A326 HydrophobicContact CZ-CB 3.4Å; A270-A326 HydrophobicContact CB-CB 3.88Å; I281-A326 HydrophobicContact CG2-CB 3.83Å; Y283-A326 HydrophobicContact CD1-CB 4.1Å; Y283-A326 HydrophobicContact CE1-CB 4.06Å; A326-P335 WeakPolarHBondContact O-CA 3.49Å; A326-A336 PolarHBondContact N-O 3.19Å; A326-A336 PolarHBondContact O-N 3.38Å
327	Q	94.2	Very high	92.9	Very high	64 Å²	64	52.1 Å²	52.1	30%	0.299	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	134.7	-177.8	-167.9	170.8	5.8	0	0	109.4	I281 V282 S333 P335	I281-Q327 CarbonylContact C-O 3.6Å; V282-Q327 PolarHBondContact N-O 2.97Å; V282-Q327 PolarHBondContact O-N 2.83Å; Q327-S333 WeakPolarHBondContact CG-OG 3.49Å; Q327-S333 PolarHBondContact NE2-OG 3.46Å; Q327-P335 HydrophobicContact CB-CB 4.12Å; Q327-P335 HydrophobicContact CG-CB 4.09Å
328	D	95	Very high	93	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.037	28%	0.277	C	S	.	.			trans	-69.1	-178.8	173.4	60	86.8	0	0	0	112.9	N240 P244 N278 K280 G330 S333	N240-D328 PolarHBondContact OD1-OD1 2.85Å; N240-D328 VanDerWaalsContact OD1-OD1 3.13Å; P244-D328 HydrophobicContact CG-CB 4.2Å; N278-D328 WeakPolarHBondContact O-CB 3.01Å; K280-D328 CarbonylContact O-C 3.33Å; K280-D328 WeakPolarHBondContact O-CA 3.41Å; D328-G330 WeakPolarHBondContact OD1-CA 3.32Å; D328-G330 PolarHBondContact OD1-N 2.88Å; D328-S333 VanDerWaalsContact CG-CB 3.5Å; D328-S333 WeakPolarHBondContact OD1-CA 3.39Å; D328-S333 WeakPolarHBondContact OD1-CB 3.26Å; D328-S333 PolarHBondContact OD1-OG 2.86Å; D328-S333 VanDerWaalsContact OD1-OG 3.08Å; D328-S333 WeakPolarHBondContact OD2-CA 3.48Å; D328-S333 VanDerWaalsContact OD2-CB 3.25Å; D328-S333 WeakPolarHBondContact OD2-CB 3.32Å; D328-S333 PolarHBondContact OD2-OG 2.85Å
329	L	92.8	Very high	93.1	Very high	100 Å²	100	49.9 Å²	49.9	52%	0.524	27%	0.273	S	S	.	.	S	Bend	trans	-112.3	16.3	174.4	-67.3	173.4	0	0	0	112.8	A277 K280 V282	A277-L329 CarbonylContact O-C 3.54Å; A277-L329 WeakPolarHBondContact O-CB 3.39Å; A277-L329 PolarHBondContact O-N 2.88Å; K280-L329 HydrophobicContact CB-CD1 4.32Å; K280-L329 HydrophobicContact CD-CD1 3.94Å; K280-L329 HydrophobicContact CG-CD1 4.01Å; K280-L329 WeakPolarHBondContact O-CG 3.34Å; K280-L329 PolarHBondContact O-N 3.13Å; V282-L329 HydrophobicContact CG2-CD1 3.96Å; V282-L329 HydrophobicContact CG2-CD2 3.86Å; V282-L329 HydrophobicContact CG2-CG 3.9Å
330	G	89.9	Confident	93.2	Very high	15 Å²	15	46.4 Å²	46.4	16%	0.155	25%	0.249	C	C	.	.	S	Bend	trans	-90.4	172.8	-178.6	0	0	0	0	0	114.7	N240 N278 D328	N240-G330 WeakPolarHBondContact OD1-CA 3.26Å; N278-G330 WeakPolarHBondContact OD1-CA 3.46Å; D328-G330 WeakPolarHBondContact OD1-CA 3.32Å; D328-G330 PolarHBondContact OD1-N 2.88Å
331	P	88.2	Confident	93.2	Very high	85 Å²	85	47.5 Å²	47.5	55%	0.552	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	129.6	178.9	31.3	-32.9	0	0	0	111.3	N278 S333	N278-P331 WeakPolarHBondContact OD1-CD 3.42Å; P331-S333 VanDerWaalsContact C-N 3.28Å
332	N	88.3	Confident	93.3	Very high	155 Å²	155	42.9 Å²	42.9	83%	0.829	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	11.8	-176.9	-38.9	-74.9	0	0	0	115.9	I334	N332-I334 PolarHBondContact O-N 3.15Å
333	S	90.6	Very high	93.4	Very high	23 Å²	23	47.5 Å²	47.5	16%	0.161	25%	0.254	C	S	.	.			trans	-21.3	125.5	165.3	-179.8	0	0	0	0	115.9	Q327 D328 P331	Q327-S333 WeakPolarHBondContact CG-OG 3.49Å; Q327-S333 PolarHBondContact NE2-OG 3.46Å; D328-S333 VanDerWaalsContact CG-CB 3.5Å; D328-S333 WeakPolarHBondContact OD1-CA 3.39Å; D328-S333 WeakPolarHBondContact OD1-CB 3.26Å; D328-S333 PolarHBondContact OD1-OG 2.86Å; D328-S333 VanDerWaalsContact OD1-OG 3.08Å; D328-S333 WeakPolarHBondContact OD2-CA 3.48Å; D328-S333 VanDerWaalsContact OD2-CB 3.25Å; D328-S333 WeakPolarHBondContact OD2-CB 3.32Å; D328-S333 PolarHBondContact OD2-OG 2.85Å; P331-S333 VanDerWaalsContact C-N 3.28Å
334	I	90.3	Very high	93.4	Very high	109 Å²	109	46.3 Å²	46.3	56%	0.559	25%	0.248	S	C	*	.			trans	-109.8	112.7	173.8	-55.9	178.7	0	0	0	108.5	N332 A336	N332-I334 PolarHBondContact O-N 3.15Å; I334-A336 PolarHBondContact O-N 3.05Å
335	P	92.4	Very high	93.4	Very high	43 Å²	43	48.6 Å²	48.6	28%	0.279	26%	0.262	S	S	.	.			trans	-70.2	130.5	179.3	28.5	-33.9	0	0	0	110.9	Q325 A326 Q327	Q325-P335 HydrophobicContact CB-CB 4.43Å; A326-P335 WeakPolarHBondContact O-CA 3.49Å; Q327-P335 HydrophobicContact CB-CB 4.12Å; Q327-P335 HydrophobicContact CG-CB 4.09Å
336	A	93.7	Very high	93.5	Very high	27 Å²	27	48.4 Å²	48.4	22%	0.223	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	159.7	167.9	0	0	0	0	0	111.2	P244 F246 Q325 A326 I334	P244-A336 WeakPolarHBondContact O-CB 3.25Å; F246-A336 HydrophobicContact CD2-CB 4.34Å; F246-A336 HydrophobicContact CE2-CB 4.43Å; Q325-A336 CarbonylContact C-O 3.48Å; Q325-A336 WeakPolarHBondContact CA-O 3.42Å; Q325-A336 WeakPolarHBondContact CB-O 3.42Å; A326-A336 PolarHBondContact N-O 3.19Å; A326-A336 PolarHBondContact O-N 3.38Å; I334-A336 PolarHBondContact O-N 3.05Å
337	H	92.8	Very high	93.4	Very high	103 Å²	103	50 Å²	50	48%	0.477	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.2	-174.4	-63.5	-59.7	0	0	0	112.4	V324 Q325	V324-H337 WeakPolarHBondContact O-CA 3.2Å; Q325-H337 WeakPolarHBondContact CB-ND1 3.38Å
338	C	94.2	Very high	93.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133.3	173.1	180	0	0	0	0	110.1	F246 Q248 Y251 V324	F246-C338 HydrophobicContact CB-CB 4.3Å; F246-C338 HydrophobicContact CD1-CB 3.88Å; F246-C338 HydrophobicContact CD2-CB 3.57Å; F246-C338 HydrophobicContact CE1-CB 3.98Å; F246-C338 HydrophobicContact CE2-CB 3.66Å; F246-C338 HydrophobicContact CG-CB 3.67Å; F246-C338 HydrophobicContact CZ-CB 3.86Å; Q248-C338 PolarHBondContact O-SG 2.93Å; Y251-C338 WeakPolarHBondContact CD2-SG 3.25Å; Y251-C338 VanDerWaalsContact CE2-SG 3.52Å; V324-C338 PolarHBondContact N-O 3.3Å; V324-C338 PolarHBondContact O-N 3.33Å
339	K	95.1	Very high	93.4	Very high	68 Å²	68	52.6 Å²	52.6	30%	0.296	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.1	-173.6	171.2	163.2	164.5	156.7	0	112.2	Q249 S250 Y251 E321 I341	Q249-K339 PolarHBondContact O-N 2.76Å; S250-K339 CarbonylContact C-O 3.46Å; S250-K339 WeakPolarHBondContact CA-O 3.21Å; S250-K339 WeakPolarHBondContact CB-O 3.34Å; Y251-K339 PolarHBondContact N-O 2.66Å; E321-K339 HydrophobicContact CG-CD 4.38Å; E321-K339 HydrophobicContact CG-CG 4.45Å; E321-K339 WeakPolarHBondContact OE1-CE 3.13Å; E321-K339 IonicContact OE1-NZ 3.2Å; E321-K339 PolarHBondContact OE1-NZ 3.18Å; E321-K339 WeakPolarHBondContact OE2-CE 3.44Å; E321-K339 IonicContact OE2-NZ 2.75Å; E321-K339 PolarHBondContact OE2-NZ 3.44Å; K339-I341 HydrophobicContact CG-CG1 4.38Å
340	I	95.5	Very high	93.4	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119	-176.2	-53.1	172.4	0	0	0	109.5	Y251 I253 L266 L268 L306 I322 V324 I342	Y251-I340 HydrophobicContact CD2-CG1 4.44Å; I253-I340 HydrophobicContact CD1-CG2 3.65Å; I253-I340 HydrophobicContact CG1-CG2 4.32Å; L266-I340 HydrophobicContact CD2-CD1 4.17Å; L268-I340 HydrophobicContact CD1-CD1 3.64Å; L268-I340 HydrophobicContact CD2-CD1 3.93Å; L268-I340 HydrophobicContact CG-CD1 4.29Å; L306-I340 HydrophobicContact CD2-CD1 3.78Å; L306-I340 HydrophobicContact CD2-CG2 4.19Å; I322-I340 HydrophobicContact CB-CB 4.39Å; I322-I340 PolarHBondContact N-O 3.02Å; I322-I340 PolarHBondContact O-N 2.99Å; V324-I340 HydrophobicContact CB-CD1 4.36Å; V324-I340 HydrophobicContact CG2-CD1 3.57Å; V324-I340 HydrophobicContact CG2-CG1 4.43Å; I340-I342 HydrophobicContact CG2-CG1 4.09Å
341	I	95.8	Very high	93.6	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.205	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	100.5	178.7	-54.8	176.1	0	0	0	108.4	Y251 I252 I253 Y320 K339 K343	Y251-I341 PolarHBondContact O-N 2.96Å; I252-I341 WeakPolarHBondContact CA-O 3.23Å; I252-I341 HydrophobicContact CG1-CB 4.38Å; I253-I341 PolarHBondContact N-O 2.76Å; Y320-I341 CarbonylContact O-C 3.58Å; Y320-I341 WeakPolarHBondContact O-CA 3.09Å; K339-I341 HydrophobicContact CG-CG1 4.38Å; I341-K343 HydrophobicContact CG2-CG 4.29Å
342	I	96.1	Very high	94	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.5	173.9	-55.1	-178.6	0	0	0	108	I253 L255 L265 F297 L306 S319 Y320 I322 I340	I253-I342 HydrophobicContact CB-CG1 4.45Å; I253-I342 HydrophobicContact CD1-CG1 4.37Å; L255-I342 HydrophobicContact CB-CG2 3.65Å; L255-I342 HydrophobicContact CD2-CG2 3.84Å; L255-I342 HydrophobicContact CG-CG2 4.41Å; L265-I342 HydrophobicContact CD1-CD1 4.09Å; F297-I342 HydrophobicContact CD1-CD1 3.88Å; F297-I342 HydrophobicContact CE1-CD1 3.43Å; F297-I342 VanDerWaalsContact CE1-CD1 3.43Å; F297-I342 HydrophobicContact CE2-CD1 4.35Å; F297-I342 HydrophobicContact CZ-CD1 3.7Å; L306-I342 HydrophobicContact CD2-CD1 4.41Å; S319-I342 CarbonylContact C-O 3.57Å; S319-I342 VanDerWaalsContact CA-O 3.26Å; S319-I342 WeakPolarHBondContact CA-O 3.25Å; Y320-I342 PolarHBondContact N-O 2.76Å; Y320-I342 PolarHBondContact O-N 2.71Å; I322-I342 HydrophobicContact CD1-CD1 3.68Å; I322-I342 HydrophobicContact CD1-CG1 4.35Å; I340-I342 HydrophobicContact CG2-CG1 4.09Å
343	K	96.1	Very high	94.2	Very high	98 Å²	98	48.5 Å²	48.5	43%	0.426	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.4	171.3	-64.5	178.3	-179.7	175.6	0	107.7	I252 I253 Q254 L255 I341	I252-K343 HydrophobicContact CG2-CD 3.9Å; I252-K343 HydrophobicContact CG2-CG 4.37Å; I253-K343 PolarHBondContact O-N 3.24Å; Q254-K343 WeakPolarHBondContact CA-O 3.48Å; L255-K343 PolarHBondContact N-O 3.03Å; I341-K343 HydrophobicContact CG2-CG 4.29Å
344	V	96.1	Very high	94.3	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	136.2	174.7	-175.7	0	0	0	0	107.9	L255 E257 Y314 T317 K318 Y320	L255-V344 CarbonylContact O-C 3.56Å; L255-V344 VanDerWaalsContact O-CA 3.32Å; L255-V344 WeakPolarHBondContact O-CA 3.48Å; E257-V344 HydrophobicContact CB-CG1 3.75Å; Y314-V344 HydrophobicContact CD2-CB 3.98Å; Y314-V344 HydrophobicContact CD2-CG1 3.98Å; Y314-V344 WeakPolarHBondContact CD2-O 3.45Å; Y314-V344 WeakPolarHBondContact CE2-O 3.46Å; Y314-V344 HydrophobicContact CG-CG1 4.44Å; T317-V344 WeakPolarHBondContact O-CG2 3.49Å; K318-V344 PolarHBondContact O-N 2.8Å; Y320-V344 HydrophobicContact CD2-CG2 4Å; Y320-V344 HydrophobicContact CE2-CG2 3.82Å
345	V	95.1	Very high	94.3	Very high	48 Å²	48	45.1 Å²	45.1	29%	0.291	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115	178.8	-179.7	0	0	0	0	108.4	Q254 L255 L256 E257	Q254-V345 HydrophobicContact CB-CG2 3.87Å; Q254-V345 HydrophobicContact CG-CG2 4.24Å; L255-V345 PolarHBondContact O-N 2.89Å; L256-V345 HydrophobicContact CD2-CB 4.05Å; L256-V345 HydrophobicContact CD2-CG1 3.81Å; E257-V345 PolarHBondContact N-O 3.15Å
346	D	95.3	Very high	94	Very high	24 Å²	24	44 Å²	44	13%	0.128	22%	0.22	C	C	.	.			trans	-44	127.7	170.5	-168.9	-46	0	0	0	113.1	E257 Y314 S389 N392	E257-D346 VanDerWaalsContact OE1-CA 3.31Å; E257-D346 WeakPolarHBondContact OE1-CA 3.1Å; Y314-D346 HydrophobicContact CD1-CB 3.7Å; Y314-D346 HydrophobicContact CD2-CB 4.4Å; Y314-D346 HydrophobicContact CE1-CB 3.56Å; Y314-D346 WeakPolarHBondContact CE1-OD2 3.46Å; Y314-D346 HydrophobicContact CE2-CB 4.3Å; Y314-D346 HydrophobicContact CG-CB 4.15Å; D346-S389 WeakPolarHBondContact OD2-CA 3.09Å; D346-S389 WeakPolarHBondContact OD2-CB 3.12Å; D346-S389 PolarHBondContact OD2-N 3.41Å; D346-N392 PolarHBondContact OD1-ND2 3.2Å
347	V	94.9	Very high	93.5	Very high	34 Å²	34	46.7 Å²	46.7	21%	0.206	23%	0.231	C	C	.	.			trans	-124	139	173.4	178.7	0	0	0	0	108.9	L256 E257 D349	L256-V347 HydrophobicContact CB-CG2 4.36Å; L256-V347 HydrophobicContact CD2-CG2 3.87Å; E257-V347 HydrophobicContact CG-CB 4.29Å; E257-V347 HydrophobicContact CG-CG2 4.26Å; E257-V347 PolarHBondContact OE1-N 2.7Å; V347-D349 VanDerWaalsContact O-CB 3.3Å; V347-D349 WeakPolarHBondContact O-CB 3.02Å; V347-D349 PolarHBondContact O-N 3.22Å
348	N	94.9	Very high	92.8	Very high	18 Å²	18	43.1 Å²	43.1	10%	0.096	22%	0.215	C	C	.	.	S	Bend	trans	-65.4	95	179	-153.8	77.9	0	0	0	110.9	D388 N392 D439 G441 P443 L445	N348-D388 VanDerWaalsContact CA-OD2 3.32Å; N348-D388 WeakPolarHBondContact CA-OD2 3.11Å; N348-N392 HydrophobicContact CB-CB 4.1Å; N348-N392 PolarHBondContact N-ND2 2.78Å; N348-N392 WeakPolarHBondContact OD1-CA 3.37Å; N348-N392 WeakPolarHBondContact OD1-CB 3.49Å; N348-N392 PolarHBondContact OD1-O 2.73Å; N348-D439 PolarHBondContact ND2-OD2 2.98Å; N348-G441 WeakPolarHBondContact OD1-CA 3.24Å; N348-P443 PolarHBondContact ND2-O 2.74Å; N348-P443 VanDerWaalsContact ND2-O 3.16Å; N348-L445 WeakPolarHBondContact ND2-CG 3.21Å
349	D	93.6	Very high	91.4	Very high	106 Å²	106	48 Å²	48	57%	0.567	24%	0.239	S	C	*	.			trans	-127.7	-39.9	-164.6	158.2	-77.5	0	0	0	110.3	V347 D388	V347-D349 VanDerWaalsContact O-CB 3.3Å; V347-D349 WeakPolarHBondContact O-CB 3.02Å; V347-D349 PolarHBondContact O-N 3.22Å; D349-D388 PolarHBondContact N-OD2 3.18Å
350	N	93.5	Very high	89.8	Confident	26 Å²	26	46.1 Å²	46.1	14%	0.139	23%	0.234	C	C	.	.	S	Bend	trans	-83.9	167.1	167.3	-61.3	-91.7	0	0	0	110.3	D386 K387 D388 L445	N350-D386 WeakPolarHBondContact CB-OD1 3.45Å; N350-K387 HydrophobicContact CB-CB 4.3Å; N350-K387 HydrophobicContact CB-CG 4.44Å; N350-K387 WeakPolarHBondContact OD1-CE 3.31Å; N350-K387 PolarHBondContact OD1-NZ 2.67Å; N350-D388 WeakPolarHBondContact CB-OD1 3.27Å; N350-D388 PolarHBondContact N-OD1 3.19Å; N350-D388 PolarHBondContact N-OD2 2.93Å; N350-D388 VanDerWaalsContact N-OD2 3.08Å; N350-D388 PolarHBondContact ND2-OD1 3.47Å; N350-L445 WeakPolarHBondContact O-CD1 3.34Å
351	K	93.8	Very high	87.8	Confident	131 Å²	131	52.6 Å²	52.6	57%	0.57	28%	0.277	S	S	*	.			trans	-130.7	154.9	178.7	68	-179.7	-177.6	178	0	109.2	E353 L445	K351-E353 PolarHBondContact O-N 2.78Å; K351-L445 HydrophobicContact CB-CB 3.84Å; K351-L445 HydrophobicContact CB-CD1 4.46Å
352	P	95.6	Very high	85.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.306	C	S	.	.			trans	-59.9	123.3	-174.7	-27.7	33.8	0	0	0	112.8	V384 D386 I395 A437 D439 T447	P352-V384 HydrophobicContact CB-CG1 3.69Å; P352-D386 WeakPolarHBondContact CA-OD2 3.32Å; P352-D386 WeakPolarHBondContact CD-OD2 3.48Å; P352-D386 VanDerWaalsContact CG-OD2 3.24Å; P352-D386 WeakPolarHBondContact CG-OD2 3.41Å; P352-I395 HydrophobicContact CB-CD1 4.3Å; P352-I395 HydrophobicContact CB-CG1 4.06Å; P352-I395 HydrophobicContact CG-CG1 4.05Å; P352-A437 HydrophobicContact CB-CB 3.61Å; P352-A437 HydrophobicContact CG-CB 4.31Å; P352-D439 HydrophobicContact CG-CB 4.2Å; P352-T447 WeakPolarHBondContact O-CB 3.46Å; P352-T447 PolarHBondContact O-OG1 3.39Å
353	E	93.4	Very high	84.1	Confident	112 Å²	112	60.1 Å²	60.1	52%	0.523	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.2	174.9	-165.7	-174.2	125	0	0	110.5	K351 N355 V384 Q385	K351-E353 PolarHBondContact O-N 2.78Å; E353-N355 PolarHBondContact OE1-ND2 3.08Å; E353-V384 VanDerWaalsContact O-CA 3.3Å; E353-V384 WeakPolarHBondContact O-CA 3.48Å; E353-V384 WeakPolarHBondContact O-CG1 3.47Å; E353-Q385 PolarHBondContact N-O 3.04Å; E353-Q385 PolarHBondContact O-N 3.31Å
354	I	92.7	Very high	82.4	Confident	5 Å²	5	64 Å²	64	3%	0.026	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.2	-177.4	-51.9	177.8	0	0	0	110.8	I356 V382 V384 V435 A437 T447 K449	I354-I356 HydrophobicContact CG2-CD1 4.23Å; I354-I356 HydrophobicContact CG2-CG1 3.89Å; I354-V382 HydrophobicContact CG2-CG1 3.9Å; I354-V384 HydrophobicContact CG1-CG1 4.19Å; I354-V384 HydrophobicContact CG1-CG2 4.45Å; I354-V435 HydrophobicContact CD1-CB 4.4Å; I354-V435 HydrophobicContact CD1-CG1 4.1Å; I354-V435 HydrophobicContact CG2-CB 4.38Å; I354-V435 HydrophobicContact CG2-CG1 4.06Å; I354-A437 HydrophobicContact CD1-CB 3.73Å; I354-A437 HydrophobicContact CG1-CB 3.81Å; I354-T447 HydrophobicContact CD1-CG2 3.93Å; I354-T447 WeakPolarHBondContact CD1-O 3.33Å; I354-T447 HydrophobicContact CG1-CG2 3.97Å; I354-K449 HydrophobicContact CB-CB 4.17Å; I354-K449 HydrophobicContact CB-CD 4.06Å; I354-K449 HydrophobicContact CD1-CB 4.14Å; I354-K449 HydrophobicContact CG2-CB 4.15Å; I354-K449 HydrophobicContact CG2-CD 4.09Å; I354-K449 WeakPolarHBondContact O-CD 3.3Å; I354-K449 WeakPolarHBondContact O-CE 3.11Å; I354-K449 PolarHBondContact O-NZ 2.88Å
355	N	89.8	Confident	81.3	Confident	57 Å²	57	70.5 Å²	70.5	31%	0.305	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.3	175.6	-76.2	-49.7	0	0	0	110.8	E353 R383	E353-N355 PolarHBondContact OE1-ND2 3.08Å; N355-R383 PolarHBondContact N-O 2.76Å; N355-R383 PolarHBondContact O-N 3.13Å
356	I	86.8	Confident	80.7	Confident	18 Å²	18	69.9 Å²	69.9	9%	0.092	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113	-173.3	-51.8	-176.9	0	0	0	108.6	I354 L358 A380 V382 V435 K449 F451	I354-I356 HydrophobicContact CG2-CD1 4.23Å; I354-I356 HydrophobicContact CG2-CG1 3.89Å; I356-L358 HydrophobicContact CG2-CD2 3.76Å; I356-L358 HydrophobicContact CG2-CG 4.34Å; I356-A380 HydrophobicContact CG2-CB 3.98Å; I356-V382 HydrophobicContact CG1-CG2 4.29Å; I356-V382 HydrophobicContact CG2-CG2 4.41Å; I356-V435 HydrophobicContact CD1-CG2 3.9Å; I356-K449 HydrophobicContact CD1-CB 4.36Å; I356-K449 HydrophobicContact CD1-CD 4.01Å; I356-K449 HydrophobicContact CD1-CG 3.92Å; I356-K449 HydrophobicContact CG1-CD 4.14Å; I356-F451 HydrophobicContact CD1-CD1 3.86Å; I356-F451 HydrophobicContact CD1-CE1 4.37Å
357	N	82.9	Confident	80.3	Confident	84 Å²	84	68.8 Å²	68.8	45%	0.449	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105	172.6	-69.4	-1.8	0	0	0	108.4	L381	N357-L381 HydrophobicContact CB-CB 4.33Å; N357-L381 PolarHBondContact N-O 3.37Å; N357-L381 PolarHBondContact O-N 3.11Å
358	L	78.3	Confident	80	Confident	29 Å²	29	70.3 Å²	70.3	15%	0.152	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	155	178.7	-57.8	172.4	0	0	0	111.1	I356 S360 K363 E364 A380 F451	I356-L358 HydrophobicContact CG2-CD2 3.76Å; I356-L358 HydrophobicContact CG2-CG 4.34Å; L358-S360 VanDerWaalsContact C-N 3.28Å; L358-S360 PolarHBondContact O-N 2.74Å; L358-K363 WeakPolarHBondContact CD1-O 3.13Å; L358-E364 VanDerWaalsContact CD1-C 3.41Å; L358-E364 WeakPolarHBondContact CD1-O 3.17Å; L358-A380 HydrophobicContact CD2-CB 3.92Å; L358-F451 HydrophobicContact CD2-CD2 3.75Å; L358-F451 HydrophobicContact CD2-CE2 4.13Å; L358-F451 HydrophobicContact CD2-CG 4.39Å
359	M	64.8	Low	79.8	Confident	102 Å²	102	69.5 Å²	69.5	50%	0.502	37%	0.367	S	S	.	.	S	Bend	trans	-70.8	-25	179.8	-169.8	163.7	89.2	0	0	112.9	P361 F378	M359-P361 WeakPolarHBondContact O-CD 3.19Å; M359-F378 HydrophobicContact CB-CD1 4.37Å; M359-F378 HydrophobicContact CB-CE1 4.09Å; M359-F378 HydrophobicContact CG-CD1 4.36Å; M359-F378 HydrophobicContact CG-CE1 4.31Å; M359-F378 HydrophobicContact SD-CD1 3.77Å; M359-F378 HydrophobicContact SD-CE1 4.31Å
360	S	60.7	Low	79.6	Confident	29 Å²	29	69 Å²	69	20%	0.203	36%	0.36	C	S	.	.	S	Bend	trans	-98.8	112.1	-175.9	-48.5	0	0	0	0	111.6	L358 G362 Y368	L358-S360 VanDerWaalsContact C-N 3.28Å; L358-S360 PolarHBondContact O-N 2.74Å; S360-G362 PolarHBondContact O-N 3.37Å; S360-Y368 PolarHBondContact OG-N 3.34Å
361	P	53.3	Low	79.5	Confident	137 Å²	137	68.3 Å²	68.3	89%	0.89	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	123.2	179	28.9	-33.7	0	0	0	111.4	M359	M359-P361 WeakPolarHBondContact O-CD 3.19Å
362	G	56	Low	79.2	Confident	79 Å²	79	64.9 Å²	64.9	81%	0.814	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	140.6	-15	168.1	0	0	0	0	0	116.7	S360	S360-G362 PolarHBondContact O-N 3.37Å
363	K	58.3	Low	78.9	Confident	118 Å²	118	67 Å²	67	51%	0.513	37%	0.369	S	S	.	.			trans	-143.4	124.3	171.7	-65.6	-178.8	-174.4	168.1	0	109.5	L358 E365 I366 Y368	L358-K363 WeakPolarHBondContact CD1-O 3.13Å; K363-E365 PolarHBondContact O-N 3.35Å; K363-I366 HydrophobicContact CD-CD1 4Å; K363-I366 HydrophobicContact CD-CG1 4.48Å; K363-Y368 PolarHBondContact NZ-OH 3.3Å
364	E	61.7	Low	78.7	Confident	180 Å²	180	65.7 Å²	65.7	84%	0.841	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.1	-174.3	-61.9	-177.7	176.8	0	0	114.3	L358	L358-E364 VanDerWaalsContact CD1-C 3.41Å; L358-E364 WeakPolarHBondContact CD1-O 3.17Å
365	E	73	Confident	78.6	Confident	144 Å²	144	69.6 Å²	69.6	67%	0.673	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-8.1	-175.4	-60.2	-178.9	147.8	0	0	114.2	K363 T452	K363-E365 PolarHBondContact O-N 3.35Å; E365-T452 PolarHBondContact O-N 2.68Å
366	I	82.6	Confident	78.7	Confident	34 Å²	34	70.9 Å²	70.9	17%	0.174	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117	-173.3	-51.5	-178.3	0	0	0	111.6	K363 Y368 T452 Q454	K363-I366 HydrophobicContact CD-CD1 4Å; K363-I366 HydrophobicContact CD-CG1 4.48Å; I366-Y368 HydrophobicContact CB-CE2 4.34Å; I366-Y368 HydrophobicContact CG2-CD2 4.35Å; I366-Y368 HydrophobicContact CG2-CE1 4.15Å; I366-Y368 HydrophobicContact CG2-CE2 3.78Å; I366-T452 WeakPolarHBondContact CA-O 3.32Å; I366-Q454 HydrophobicContact CG2-CB 4.31Å; I366-Q454 HydrophobicContact CG2-CG 3.89Å
367	S	86.2	Confident	78.9	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.007	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	149.5	165.8	-134.9	0	0	0	0	110.7	V379 T452 V453 Q454	S367-V379 PolarHBondContact OG-O 3.22Å; S367-T452 PolarHBondContact N-O 3.31Å; S367-V453 WeakPolarHBondContact O-CA 3.23Å; S367-Q454 PolarHBondContact O-N 3.25Å
368	Y	87.5	Confident	79.2	Confident	66 Å²	66	70.4 Å²	70.4	26%	0.259	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.3	175.7	-59.9	-93.4	0	0	0	110	S360 K363 I366 Q454 N456	S360-Y368 PolarHBondContact OG-N 3.34Å; K363-Y368 PolarHBondContact NZ-OH 3.3Å; I366-Y368 HydrophobicContact CB-CE2 4.34Å; I366-Y368 HydrophobicContact CG2-CD2 4.35Å; I366-Y368 HydrophobicContact CG2-CE1 4.15Å; I366-Y368 HydrophobicContact CG2-CE2 3.78Å; Y368-Q454 WeakPolarHBondContact CA-O 3.07Å; Y368-Q454 HydrophobicContact CD1-CB 4.02Å; Y368-Q454 HydrophobicContact CE1-CB 4.09Å; Y368-Q454 VanDerWaalsContact CE1-OE1 3.28Å; Y368-Q454 PolarHBondContact OH-OE1 3.36Å; Y368-N456 WeakPolarHBondContact CD1-OD1 3.32Å
369	I	90.9	Very high	79.8	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.9	177.9	-170.6	165.1	0	0	0	108.8	D373 T377 V379 T419 L423 V453 Q454 I455 N456	I369-D373 HydrophobicContact CD1-CB 4.37Å; I369-D373 HydrophobicContact CG1-CB 4.08Å; I369-D373 VanDerWaalsContact CG1-OD2 3.23Å; I369-D373 WeakPolarHBondContact CG1-OD2 3.43Å; I369-T377 HydrophobicContact CD1-CG2 3.73Å; I369-T377 HydrophobicContact CG1-CG2 4.3Å; I369-V379 HydrophobicContact CD1-CG2 3.99Å; I369-T419 HydrophobicContact CD1-CG2 3.47Å; I369-T419 VanDerWaalsContact CD1-CG2 3.47Å; I369-L423 HydrophobicContact CD1-CD1 3.99Å; I369-L423 HydrophobicContact CG1-CD1 4.27Å; I369-L423 HydrophobicContact CG2-CD1 3.58Å; I369-V453 HydrophobicContact CG2-CG1 3.55Å; I369-Q454 PolarHBondContact N-O 3.26Å; I369-I455 HydrophobicContact CG2-CG1 4.11Å; I369-I455 CarbonylContact O-C 3.59Å; I369-I455 WeakPolarHBondContact O-CA 3.47Å; I369-N456 PolarHBondContact O-N 2.86Å
370	F	90.1	Very high	80.9	Confident	96 Å²	96	64.3 Å²	64.3	42%	0.421	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	153.4	175.8	-61.8	-93.6	0	0	0	110.9	D373 N456 I458	F370-D373 PolarHBondContact N-OD2 2.9Å; F370-D373 VanDerWaalsContact O-CB 3.32Å; F370-D373 WeakPolarHBondContact O-CB 3.16Å; F370-D373 PolarHBondContact O-N 2.76Å; F370-N456 WeakPolarHBondContact CA-O 3.24Å; F370-N456 HydrophobicContact CD1-CB 3.37Å; F370-N456 HydrophobicContact CE1-CB 3.51Å; F370-N456 HydrophobicContact CG-CB 3.93Å; F370-N456 HydrophobicContact CZ-CB 4.18Å; F370-N456 WeakPolarHBondContact CZ-ND2 3Å; F370-I458 HydrophobicContact CB-CD1 3.93Å; F370-I458 HydrophobicContact CB-CG1 4.15Å; F370-I458 HydrophobicContact CD1-CG1 4.15Å
371	E	91.7	Very high	82.3	Confident	11 Å²	11	64.5 Å²	64.5	5%	0.051	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.5	-176.9	61.3	-151.1	119.2	0	0	114.7	D373 L423 R425 I455 N456 D457 I458	E371-D373 PolarHBondContact O-N 3.26Å; E371-L423 HydrophobicContact CB-CB 4.38Å; E371-R425 WeakPolarHBondContact OE2-CB 3.45Å; E371-R425 PolarHBondContact OE2-N 2.83Å; E371-I455 HydrophobicContact CB-CG2 3.75Å; E371-N456 PolarHBondContact N-O 3.13Å; E371-D457 VanDerWaalsContact OE1-CA 3.24Å; E371-D457 WeakPolarHBondContact OE1-CA 3.48Å; E371-I458 HydrophobicContact CG-CB 4.25Å; E371-I458 HydrophobicContact CG-CG1 4.34Å; E371-I458 PolarHBondContact OE1-N 2.72Å
372	G	86.6	Confident	84.1	Confident	58 Å²	58	58 Å²	58	60%	0.598	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	4.6	173.6	0	0	0	0	0	114.6
373	D	89.9	Confident	85.9	Confident	45 Å²	45	59 Å²	59	24%	0.241	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-65.1	138.3	170.9	-79.7	-37.9	0	0	0	110.3	I369 F370 E371 T377	I369-D373 HydrophobicContact CD1-CB 4.37Å; I369-D373 HydrophobicContact CG1-CB 4.08Å; I369-D373 VanDerWaalsContact CG1-OD2 3.23Å; I369-D373 WeakPolarHBondContact CG1-OD2 3.43Å; F370-D373 PolarHBondContact N-OD2 2.9Å; F370-D373 VanDerWaalsContact O-CB 3.32Å; F370-D373 WeakPolarHBondContact O-CB 3.16Å; F370-D373 PolarHBondContact O-N 2.76Å; E371-D373 PolarHBondContact O-N 3.26Å; D373-T377 HydrophobicContact CB-CG2 4.01Å
374	P	90.3	Very high	87.5	Confident	84 Å²	84	53.6 Å²	53.6	55%	0.545	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-68.2	166.2	-174.8	27.4	-34.7	0	0	0	112.9	T377 T419	P374-T377 WeakPolarHBondContact CD-OG1 3.38Å; P374-T377 WeakPolarHBondContact CG-OG1 3.4Å; P374-T377 VanDerWaalsContact O-CB 3.3Å; P374-T377 WeakPolarHBondContact O-CB 3.21Å; P374-T377 PolarHBondContact O-N 2.68Å; P374-T377 PolarHBondContact O-OG1 3.47Å; P374-T419 PolarHBondContact O-OG1 2.99Å
375	I	90.4	Very high	89	Confident	87 Å²	87	51 Å²	51	45%	0.446	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	145.1	165.2	-56.7	176	0	0	0	108.8	T377 T419 T422	I375-T377 VanDerWaalsContact C-N 3.32Å; I375-T419 WeakPolarHBondContact CA-OG1 3.22Å; I375-T422 HydrophobicContact CG1-CG2 4.47Å
376	D	90.8	Very high	90	Very high	84 Å²	84	45.6 Å²	45.6	45%	0.449	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	15.7	-173.1	-62.4	10.9	0	0	0	115.4	K406 T419	D376-K406 VanDerWaalsContact OD1-CE 3.22Å; D376-K406 WeakPolarHBondContact OD1-CE 3.22Å; D376-K406 IonicContact OD1-NZ 2.67Å; D376-K406 PolarHBondContact OD1-NZ 2.66Å; D376-K406 IonicContact OD2-NZ 3.72Å; D376-K406 PolarHBondContact OD2-NZ 3.21Å; D376-T419 WeakPolarHBondContact CA-O 3.44Å; D376-T419 PolarHBondContact N-O 2.84Å; D376-T419 PolarHBondContact N-OG1 2.58Å; D376-T419 VanDerWaalsContact N-OG1 3.09Å
377	T	91.2	Very high	90.5	Very high	25 Å²	25	50.1 Å²	50.1	15%	0.153	26%	0.256	C	S	.	.			trans	-67.7	137.4	168.9	-63	0	0	0	0	111.3	I369 D373 P374 I375 L418 T419	I369-T377 HydrophobicContact CD1-CG2 3.73Å; I369-T377 HydrophobicContact CG1-CG2 4.3Å; D373-T377 HydrophobicContact CB-CG2 4.01Å; P374-T377 WeakPolarHBondContact CD-OG1 3.38Å; P374-T377 WeakPolarHBondContact CG-OG1 3.4Å; P374-T377 VanDerWaalsContact O-CB 3.3Å; P374-T377 WeakPolarHBondContact O-CB 3.21Å; P374-T377 PolarHBondContact O-N 2.68Å; P374-T377 PolarHBondContact O-OG1 3.47Å; I375-T377 VanDerWaalsContact C-N 3.32Å; T377-L418 CarbonylContact O-C 3.52Å; T377-L418 VanDerWaalsContact O-CA 3.24Å; T377-L418 WeakPolarHBondContact O-CA 3.11Å; T377-T419 PolarHBondContact N-OG1 2.91Å; T377-T419 PolarHBondContact O-N 2.87Å
378	F	90.1	Very high	91	Very high	68 Å²	68	50.4 Å²	50.4	30%	0.298	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.8	-178	169.4	-101.2	0	0	0	112.7	M359 A380 L381 L416 L418	M359-F378 HydrophobicContact CB-CD1 4.37Å; M359-F378 HydrophobicContact CB-CE1 4.09Å; M359-F378 HydrophobicContact CG-CD1 4.36Å; M359-F378 HydrophobicContact CG-CE1 4.31Å; M359-F378 HydrophobicContact SD-CD1 3.77Å; M359-F378 HydrophobicContact SD-CE1 4.31Å; F378-A380 VanDerWaalsContact CE2-O 3.25Å; F378-A380 WeakPolarHBondContact CE2-O 3.48Å; F378-A380 VanDerWaalsContact CZ-C 3.45Å; F378-L381 HydrophobicContact CE2-CB 4.05Å; F378-L381 HydrophobicContact CZ-CB 3.92Å; F378-L416 HydrophobicContact CD2-CD2 3.92Å; F378-L416 HydrophobicContact CE2-CD2 3.61Å; F378-L418 HydrophobicContact CB-CD2 4.06Å; F378-L418 HydrophobicContact CD2-CD2 4.27Å
379	V	89.4	Confident	91.2	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-44.4	-177	-175.6	0	0	0	0	112.1	S367 I369 F405 I417 T419 F451 V453	S367-V379 PolarHBondContact OG-O 3.22Å; I369-V379 HydrophobicContact CD1-CG2 3.99Å; V379-F405 HydrophobicContact CG2-CD1 3.98Å; V379-F405 HydrophobicContact CG2-CE1 3.89Å; V379-I417 HydrophobicContact CB-CG2 4.18Å; V379-I417 WeakPolarHBondContact CB-O 3.42Å; V379-I417 PolarHBondContact N-O 3.04Å; V379-T419 HydrophobicContact CG2-CG2 4.36Å; V379-F451 HydrophobicContact CG1-CE2 4.44Å; V379-V453 HydrophobicContact CG1-CG1 4.21Å; V379-V453 HydrophobicContact CG1-CG2 3.63Å
380	A	89.2	Confident	91.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	147.6	-175.9	0	0	0	0	0	111.9	I356 L358 F378 I417 F451	I356-A380 HydrophobicContact CG2-CB 3.98Å; L358-A380 HydrophobicContact CD2-CB 3.92Å; F378-A380 VanDerWaalsContact CE2-O 3.25Å; F378-A380 WeakPolarHBondContact CE2-O 3.48Å; F378-A380 VanDerWaalsContact CZ-C 3.45Å; A380-I417 HydrophobicContact CB-CB 4.46Å; A380-I417 PolarHBondContact O-N 2.89Å; A380-F451 HydrophobicContact CB-CE2 4.33Å; A380-F451 HydrophobicContact CB-CZ 4.34Å
381	L	90	Very high	91.2	Very high	34 Å²	34	52.9 Å²	52.9	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.5	168.6	170.3	66.3	0	0	0	108.7	N357 F378 R383 N414 L416	N357-L381 HydrophobicContact CB-CB 4.33Å; N357-L381 PolarHBondContact N-O 3.37Å; N357-L381 PolarHBondContact O-N 3.11Å; F378-L381 HydrophobicContact CE2-CB 4.05Å; F378-L381 HydrophobicContact CZ-CB 3.92Å; L381-R383 HydrophobicContact CG-CG 4.45Å; L381-N414 HydrophobicContact CD1-CB 4.4Å; L381-L416 HydrophobicContact CD1-CD2 3.87Å
382	V	91.3	Very high	91.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.5	171.8	179.4	0	0	0	0	108.5	I354 I356 V384 Y415 I417 V435	I354-V382 HydrophobicContact CG2-CG1 3.9Å; I356-V382 HydrophobicContact CG1-CG2 4.29Å; I356-V382 HydrophobicContact CG2-CG2 4.41Å; V382-V384 HydrophobicContact CG1-CG2 3.91Å; V382-Y415 PolarHBondContact N-O 2.95Å; V382-Y415 PolarHBondContact O-N 2.84Å; V382-I417 HydrophobicContact CG2-CD1 3.63Å; V382-I417 HydrophobicContact CG2-CG1 4.02Å; V382-V435 HydrophobicContact CG1-CG1 3.99Å; V382-V435 HydrophobicContact CG2-CG2 4.11Å
383	R	91.9	Very high	91.4	Very high	101 Å²	101	51.6 Å²	51.6	38%	0.381	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.1	162.6	-59.9	-164.8	168.7	137.1	1.6	108.2	N355 L381 N414	N355-R383 PolarHBondContact N-O 2.76Å; N355-R383 PolarHBondContact O-N 3.13Å; L381-R383 HydrophobicContact CG-CG 4.45Å; R383-N414 WeakPolarHBondContact CG-OD1 3.31Å; R383-N414 PolarHBondContact NE-OD1 2.85Å
384	V	93	Very high	91.5	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.8	167	-161.3	0	0	0	0	108.5	P352 E353 I354 V382 I395 C397 N413 Y415 A437	P352-V384 HydrophobicContact CB-CG1 3.69Å; E353-V384 VanDerWaalsContact O-CA 3.3Å; E353-V384 WeakPolarHBondContact O-CA 3.48Å; E353-V384 WeakPolarHBondContact O-CG1 3.47Å; I354-V384 HydrophobicContact CG1-CG1 4.19Å; I354-V384 HydrophobicContact CG1-CG2 4.45Å; V382-V384 HydrophobicContact CG1-CG2 3.91Å; V384-I395 HydrophobicContact CB-CD1 4Å; V384-I395 HydrophobicContact CB-CG2 4.03Å; V384-I395 HydrophobicContact CG1-CD1 3.61Å; V384-I395 HydrophobicContact CG1-CG1 4.23Å; V384-I395 HydrophobicContact CG1-CG2 3.86Å; V384-I395 HydrophobicContact CG2-CG2 4.46Å; V384-C397 HydrophobicContact CG2-CB 4.43Å; V384-N413 PolarHBondContact N-O 2.85Å; V384-N413 WeakPolarHBondContact O-CB 3.43Å; V384-Y415 HydrophobicContact CG2-CD2 4.25Å; V384-Y415 HydrophobicContact CG2-CE2 4.1Å; V384-A437 HydrophobicContact CG1-CB 3.6Å; V384-A437 HydrophobicContact CG2-CB 4.26Å
385	Q	92.4	Very high	91.6	Very high	127 Å²	127	49.4 Å²	49.4	59%	0.593	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.7	176.3	-68.4	-177.1	-43.2	0	0	108.8	E353	E353-Q385 PolarHBondContact N-O 3.04Å; E353-Q385 PolarHBondContact O-N 3.31Å
386	D	94.9	Very high	91.6	Very high	30 Å²	30	47.9 Å²	47.9	16%	0.16	26%	0.258	C	S	.	.			trans	-115.2	163.1	162	-135.5	-51.5	0	0	0	108.8	N350 P352 I395	N350-D386 WeakPolarHBondContact CB-OD1 3.45Å; P352-D386 WeakPolarHBondContact CA-OD2 3.32Å; P352-D386 WeakPolarHBondContact CD-OD2 3.48Å; P352-D386 VanDerWaalsContact CG-OD2 3.24Å; P352-D386 WeakPolarHBondContact CG-OD2 3.41Å; D386-I395 HydrophobicContact CB-CD1 3.99Å; D386-I395 HydrophobicContact CB-CG1 4.36Å
387	K	93.6	Very high	91.7	Very high	129 Å²	129	44.6 Å²	44.6	56%	0.561	24%	0.242	S	C	*	.	S	Bend	trans	-96.6	-37.5	175.5	-51.3	-170.7	-156.4	137.5	0	111.7	E315 N350	E315-K387 HydrophobicContact CG-CB 3.57Å; E315-K387 HydrophobicContact CG-CD 4.21Å; N350-K387 HydrophobicContact CB-CB 4.3Å; N350-K387 HydrophobicContact CB-CG 4.44Å; N350-K387 WeakPolarHBondContact OD1-CE 3.31Å; N350-K387 PolarHBondContact OD1-NZ 2.67Å
388	D	95.1	Very high	91.7	Very high	7 Å²	7	48 Å²	48	4%	0.037	25%	0.254	C	S	.	.	S	Bend	trans	-59	158.5	178.2	-56.6	6.3	0	0	0	109.7	N348 D349 N350 N392 G393	N348-D388 VanDerWaalsContact CA-OD2 3.32Å; N348-D388 WeakPolarHBondContact CA-OD2 3.11Å; D349-D388 PolarHBondContact N-OD2 3.18Å; N350-D388 WeakPolarHBondContact CB-OD1 3.27Å; N350-D388 PolarHBondContact N-OD1 3.19Å; N350-D388 PolarHBondContact N-OD2 2.93Å; N350-D388 VanDerWaalsContact N-OD2 3.08Å; N350-D388 PolarHBondContact ND2-OD1 3.47Å; D388-N392 HydrophobicContact CB-CB 3.64Å; D388-G393 WeakPolarHBondContact O-CA 3.24Å
389	S	91.8	Very high	91.8	Very high	37 Å²	37	46.7 Å²	46.7	26%	0.259	25%	0.25	S	C	.	.			trans	-117.9	176.1	-171.8	-54	0	0	0	0	112.4	K318 D346 L391 N392 G393	K318-S389 PolarHBondContact NZ-OG 2.95Å; D346-S389 WeakPolarHBondContact OD2-CA 3.09Å; D346-S389 WeakPolarHBondContact OD2-CB 3.12Å; D346-S389 PolarHBondContact OD2-N 3.41Å; S389-L391 PolarHBondContact O-N 2.89Å; S389-N392 WeakPolarHBondContact O-CB 3.11Å; S389-N392 PolarHBondContact O-N 2.68Å; S389-N392 VanDerWaalsContact O-N 3.15Å; S389-G393 PolarHBondContact O-N 2.87Å
390	G	90.8	Very high	91.7	Very high	70 Å²	70	53 Å²	53	72%	0.722	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-122.3	-179.8	0	0	0	0	0	112.7
391	L	90.9	Very high	90.7	Very high	108 Å²	108	54.6 Å²	54.6	57%	0.565	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-30.3	176.8	-68.4	173.5	0	0	0	112.7	S389 G393 E394 K440	S389-L391 PolarHBondContact O-N 2.89Å; L391-G393 VanDerWaalsContact C-N 3.29Å; L391-G393 PolarHBondContact O-N 2.79Å; L391-E394 PolarHBondContact O-N 2.87Å; L391-K440 CarbonylContact O-C 3.6Å; L391-K440 WeakPolarHBondContact O-CB 3.34Å; L391-K440 PolarHBondContact O-N 2.86Å
392	N	91.9	Very high	89.6	Confident	27 Å²	27	57.6 Å²	57.6	14%	0.144	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-42.7	176.5	-60.6	-9.5	0	0	0	109.2	D346 N348 D388 S389 E394 D439 G441	D346-N392 PolarHBondContact OD1-ND2 3.2Å; N348-N392 HydrophobicContact CB-CB 4.1Å; N348-N392 PolarHBondContact N-ND2 2.78Å; N348-N392 WeakPolarHBondContact OD1-CA 3.37Å; N348-N392 WeakPolarHBondContact OD1-CB 3.49Å; N348-N392 PolarHBondContact OD1-O 2.73Å; D388-N392 HydrophobicContact CB-CB 3.64Å; S389-N392 WeakPolarHBondContact O-CB 3.11Å; S389-N392 PolarHBondContact O-N 2.68Å; S389-N392 VanDerWaalsContact O-N 3.15Å; N392-E394 VanDerWaalsContact C-N 3.33Å; N392-E394 PolarHBondContact O-N 3.49Å; N392-D439 VanDerWaalsContact O-CB 3.27Å; N392-D439 WeakPolarHBondContact O-CB 3.36Å; N392-G441 WeakPolarHBondContact OD1-CA 3.05Å
393	G	90.3	Very high	89	Confident	16 Å²	16	60.2 Å²	60.2	17%	0.165	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.2	171	0	0	0	0	0	117.7	D388 S389 L391 I395	D388-G393 WeakPolarHBondContact O-CA 3.24Å; S389-G393 PolarHBondContact O-N 2.87Å; L391-G393 VanDerWaalsContact C-N 3.29Å; L391-G393 PolarHBondContact O-N 2.79Å; G393-I395 PolarHBondContact O-N 3.29Å
394	E	91.8	Very high	88.9	Confident	80 Å²	80	58.5 Å²	58.5	37%	0.374	33%	0.332	S	S	.	.			trans	-90.2	85.5	-169.3	-151	-151	142.3	0	0	114.2	L391 N392 V396 K440	L391-E394 PolarHBondContact O-N 2.87Å; N392-E394 VanDerWaalsContact C-N 3.33Å; N392-E394 PolarHBondContact O-N 3.49Å; E394-V396 PolarHBondContact O-N 2.87Å; E394-K440 HydrophobicContact CB-CD 4.31Å; E394-K440 VanDerWaalsContact CD-CE 3.48Å; E394-K440 WeakPolarHBondContact O-CG 3.22Å; E394-K440 WeakPolarHBondContact OE1-CE 3.19Å; E394-K440 IonicContact OE1-NZ 2.61Å; E394-K440 PolarHBondContact OE1-NZ 2.95Å; E394-K440 WeakPolarHBondContact OE2-CD 3.44Å; E394-K440 WeakPolarHBondContact OE2-CE 3.48Å; E394-K440 IonicContact OE2-NZ 3.35Å; E394-K440 PolarHBondContact OE2-NZ 3.06Å
395	I	92.5	Very high	88.9	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.015	33%	0.333	C	S	.	.			trans	-67.9	126.8	-175.1	-65.6	153.9	0	0	0	114.9	P352 V384 D386 G393 C397 N413 Y415 A437	P352-I395 HydrophobicContact CB-CD1 4.3Å; P352-I395 HydrophobicContact CB-CG1 4.06Å; P352-I395 HydrophobicContact CG-CG1 4.05Å; V384-I395 HydrophobicContact CB-CD1 4Å; V384-I395 HydrophobicContact CB-CG2 4.03Å; V384-I395 HydrophobicContact CG1-CD1 3.61Å; V384-I395 HydrophobicContact CG1-CG1 4.23Å; V384-I395 HydrophobicContact CG1-CG2 3.86Å; V384-I395 HydrophobicContact CG2-CG2 4.46Å; D386-I395 HydrophobicContact CB-CD1 3.99Å; D386-I395 HydrophobicContact CB-CG1 4.36Å; G393-I395 PolarHBondContact O-N 3.29Å; I395-C397 HydrophobicContact CG2-CB 4.43Å; I395-N413 HydrophobicContact CD1-CB 4.46Å; I395-Y415 PolarHBondContact O-OH 2.88Å; I395-A437 HydrophobicContact CG2-CB 4.19Å
396	V	91.5	Very high	88.9	Confident	54 Å²	54	55.5 Å²	55.5	33%	0.327	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	105.4	162.2	-175	0	0	0	0	109.8	E394 K398 E438 K440	E394-V396 PolarHBondContact O-N 2.87Å; V396-K398 HydrophobicContact CG1-CG 4.45Å; V396-E438 PolarHBondContact N-O 2.58Å; V396-E438 PolarHBondContact O-N 3.05Å; V396-E438 VanDerWaalsContact O-N 3.11Å; V396-K440 HydrophobicContact CG2-CG 4.14Å
397	C	92.3	Very high	88.7	Confident	16 Å²	16	56.2 Å²	56.2	11%	0.108	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.1	176.5	-166.3	0	0	0	0	112	V384 I395 L407 Y415 V435 I436	V384-C397 HydrophobicContact CG2-CB 4.43Å; I395-C397 HydrophobicContact CG2-CB 4.43Å; C397-L407 HydrophobicContact CB-CD2 4.12Å; C397-Y415 HydrophobicContact CB-CD1 4.08Å; C397-Y415 HydrophobicContact CB-CD2 4.02Å; C397-Y415 HydrophobicContact CB-CE1 3.61Å; C397-Y415 HydrophobicContact CB-CE2 3.56Å; C397-Y415 HydrophobicContact CB-CG 4.28Å; C397-V435 VanDerWaalsContact SG-CG1 3.55Å; C397-I436 CarbonylContact C-O 3.33Å; C397-I436 WeakPolarHBondContact CA-O 3.25Å
398	K	91.9	Very high	88.6	Confident	96 Å²	96	54.3 Å²	54.3	42%	0.417	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.7	-176.4	-61.8	165.9	-172.5	168.9	0	109.1	V396 I436 E438	V396-K398 HydrophobicContact CG1-CG 4.45Å; K398-I436 HydrophobicContact CB-CB 4.49Å; K398-I436 PolarHBondContact N-O 2.56Å; K398-I436 PolarHBondContact O-N 2.83Å; K398-E438 IonicContact NZ-OE2 2.87Å; K398-E438 PolarHBondContact NZ-OE2 3.05Å
399	L	92.2	Very high	88.4	Confident	40 Å²	40	58.9 Å²	58.9	21%	0.209	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.4	172.7	-178.9	66.8	0	0	0	109.5	F405 L407 I417 L433 V435	L399-F405 HydrophobicContact CD2-CB 4.11Å; L399-L407 HydrophobicContact CB-CB 3.83Å; L399-L407 HydrophobicContact CB-CD2 4.32Å; L399-L407 HydrophobicContact CB-CG 4.47Å; L399-L407 HydrophobicContact CD2-CB 4.35Å; L399-I417 HydrophobicContact CD1-CD1 3.92Å; L399-I417 HydrophobicContact CD2-CG1 4.44Å; L399-I417 HydrophobicContact CD2-CG2 4.18Å; L399-L433 HydrophobicContact CD1-CB 4.32Å; L399-V435 HydrophobicContact CD1-CG2 4.26Å
400	H	85.8	Confident	88.1	Confident	134 Å²	134	60.1 Å²	60.1	62%	0.62	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.6	174.4	-164	91.4	0	0	0	109.4	T434 I436	H400-T434 PolarHBondContact N-O 2.78Å; H400-T434 WeakPolarHBondContact O-CA 3.4Å; H400-T434 VanDerWaalsContact O-CB 3.31Å; H400-T434 WeakPolarHBondContact O-CB 3.31Å; H400-T434 PolarHBondContact O-N 2.82Å; H400-I436 HydrophobicContact CB-CD1 4.21Å
401	G	69.4	Low	87.6	Confident	34 Å²	34	63.7 Å²	63.7	35%	0.351	33%	0.331	S	S	.	.	S	Bend	trans	173.3	164.8	-172.4	0	0	0	0	0	109	G403	G401-G403 PolarHBondContact O-N 3.3Å
402	H	66.6	Low	87.1	Confident	97 Å²	97	65.5 Å²	65.5	45%	0.449	34%	0.337	S	S	.	.			trans	-61.7	139.7	-174.4	-61.6	-92.8	0	0	0	111.5	H404 F405 R428 Y431	H402-H404 PolarHBondContact O-N 2.81Å; H402-F405 PolarHBondContact O-N 3.01Å; H402-R428 PolarHBondContact CD2-NH1 2.9Å; H402-R428 PolarHBondContact CD2-NH2 2.9Å; H402-R428 PolarHBondContact CE1-NH1 3.01Å; H402-R428 VanDerWaalsContact CE1-NH1 3.3Å; H402-R428 PolarHBondContact NE2-NH1 3.2Å; H402-R428 PolarHBondContact NE2-NH2 3.09Å; H402-Y431 HydrophobicContact CB-CD1 4.05Å; H402-Y431 HydrophobicContact CB-CE1 3.94Å
403	G	79.1	Confident	86.8	Confident	55 Å²	55	66.3 Å²	66.3	57%	0.567	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	12.7	-170.3	0	0	0	0	0	117.5	G401 F405 N420	G401-G403 PolarHBondContact O-N 3.3Å; G403-F405 PolarHBondContact O-N 3.49Å; G403-N420 PolarHBondContact O-ND2 2.76Å
404	H	89.7	Confident	86.8	Confident	66 Å²	66	66 Å²	66	31%	0.306	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.2	163.3	-61.5	-103.4	0	0	0	112	H402 T419 N420 A421 T422 L423 Y431	H402-H404 PolarHBondContact O-N 2.81Å; H404-T419 CarbonylContact O-C 3.47Å; H404-T419 WeakPolarHBondContact O-CA 3.18Å; H404-N420 PolarHBondContact O-N 3.24Å; H404-A421 HydrophobicContact CB-CB 4.49Å; H404-A421 PolarHBondContact O-N 2.86Å; H404-T422 PolarHBondContact ND1-O 3.1Å; H404-L423 HydrophobicContact CB-CD2 4.01Å; H404-Y431 HydrophobicContact CB-CE1 4.46Å; H404-Y431 AromaticContact CD2-CE1 3.91Å
405	F	92.6	Very high	86.8	Confident	11 Å²	11	62.7 Å²	62.7	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.4	176	-57.2	-86	0	0	0	111.3	V379 L399 H402 G403 I417 L418 T419 L423 Y431 L433 V453	V379-F405 HydrophobicContact CG2-CD1 3.98Å; V379-F405 HydrophobicContact CG2-CE1 3.89Å; L399-F405 HydrophobicContact CD2-CB 4.11Å; H402-F405 PolarHBondContact O-N 3.01Å; G403-F405 PolarHBondContact O-N 3.49Å; F405-I417 HydrophobicContact CB-CG2 4.35Å; F405-I417 HydrophobicContact CD1-CG2 4.44Å; F405-L418 CarbonylContact C-O 3.59Å; F405-L418 VanDerWaalsContact CA-O 3.31Å; F405-L418 WeakPolarHBondContact CA-O 3.46Å; F405-T419 HydrophobicContact CD1-CG2 4.47Å; F405-T419 HydrophobicContact CE1-CG2 4.19Å; F405-L423 HydrophobicContact CE1-CD1 4.47Å; F405-L423 HydrophobicContact CE2-CD2 4.44Å; F405-L423 HydrophobicContact CZ-CD1 4.28Å; F405-L423 HydrophobicContact CZ-CD2 4.03Å; F405-Y431 AromaticContact CE2-CD1 3.88Å; F405-Y431 HydrophobicContact CE2-CD1 3.88Å; F405-Y431 AromaticContact CE2-CD2 3.86Å; F405-Y431 HydrophobicContact CE2-CD2 3.86Å; F405-Y431 HydrophobicContact CE2-CE1 4.39Å; F405-Y431 HydrophobicContact CE2-CE2 4.39Å; F405-Y431 AromaticContact CE2-CG 3.58Å; F405-Y431 HydrophobicContact CE2-CG 3.58Å; F405-Y431 HydrophobicContact CZ-CD2 4.17Å; F405-Y431 HydrophobicContact CZ-CG 4.28Å; F405-L433 HydrophobicContact CB-CD1 4.24Å; F405-L433 HydrophobicContact CD1-CD1 4.13Å; F405-L433 HydrophobicContact CD2-CD1 3.97Å; F405-L433 HydrophobicContact CD2-CD2 3.79Å; F405-L433 HydrophobicContact CD2-CG 4.44Å; F405-L433 HydrophobicContact CE2-CD1 4.4Å; F405-L433 HydrophobicContact CE2-CD2 4.37Å; F405-L433 HydrophobicContact CG-CD1 3.82Å; F405-L433 HydrophobicContact CG-CD2 4.29Å; F405-V453 HydrophobicContact CE1-CG1 4.26Å; F405-V453 HydrophobicContact CE1-CG2 4.46Å; F405-V453 HydrophobicContact CZ-CB 4.33Å; F405-V453 HydrophobicContact CZ-CG1 4.07Å; F405-V453 HydrophobicContact CZ-CG2 4.47Å
406	K	91.6	Very high	86.7	Confident	56 Å²	56	64.7 Å²	64.7	24%	0.243	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.2	175.2	66.2	-174.3	-172.6	-171	0	111.2	D376 I417 L418 N420	D376-K406 VanDerWaalsContact OD1-CE 3.22Å; D376-K406 WeakPolarHBondContact OD1-CE 3.22Å; D376-K406 IonicContact OD1-NZ 2.67Å; D376-K406 PolarHBondContact OD1-NZ 2.66Å; D376-K406 IonicContact OD2-NZ 3.72Å; D376-K406 PolarHBondContact OD2-NZ 3.21Å; K406-I417 WeakPolarHBondContact O-CA 3.3Å; K406-L418 HydrophobicContact CG-CB 4.09Å; K406-L418 PolarHBondContact N-O 2.76Å; K406-L418 PolarHBondContact O-N 3.49Å; K406-N420 HydrophobicContact CB-CB 3.98Å; K406-N420 HydrophobicContact CD-CB 4.11Å; K406-N420 HydrophobicContact CG-CB 4.07Å
407	L	92.5	Very high	86.8	Confident	44 Å²	44	62.1 Å²	62.1	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.8	173.3	-169.1	72	0	0	0	109.3	C397 L399 Y415 I417	C397-L407 HydrophobicContact CB-CD2 4.12Å; L399-L407 HydrophobicContact CB-CB 3.83Å; L399-L407 HydrophobicContact CB-CD2 4.32Å; L399-L407 HydrophobicContact CB-CG 4.47Å; L399-L407 HydrophobicContact CD2-CB 4.35Å; L407-Y415 HydrophobicContact CD1-CG 4.41Å; L407-Y415 HydrophobicContact CD2-CD1 4.01Å; L407-Y415 HydrophobicContact CD2-CG 4.45Å; L407-Y415 HydrophobicContact CG-CD1 4.11Å; L407-Y415 HydrophobicContact CG-CG 4.42Å; L407-I417 HydrophobicContact CD1-CD1 4.39Å; L407-I417 HydrophobicContact CD1-CG1 3.67Å
408	Q	91.1	Very high	86.7	Confident	90 Å²	90	62 Å²	62	42%	0.421	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110	178.7	-179.1	169.1	-19	0	0	110	Y415 L416	Q408-Y415 CarbonylContact O-C 3.51Å; Q408-Y415 WeakPolarHBondContact O-CA 3.46Å; Q408-L416 PolarHBondContact N-O 3.47Å; Q408-L416 PolarHBondContact O-N 2.73Å
409	K	89.6	Confident	86.8	Confident	103 Å²	103	57.5 Å²	57.5	45%	0.448	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.3	170.6	-165.1	167	-170	157.5	0	109	E412 N413 Y415	K409-E412 WeakPolarHBondContact CE-O 3.45Å; K409-N413 PolarHBondContact NZ-OD1 3.39Å; K409-Y415 HydrophobicContact CB-CD1 3.61Å; K409-Y415 HydrophobicContact CB-CE1 3.63Å; K409-Y415 HydrophobicContact CD-CD1 4.35Å; K409-Y415 HydrophobicContact CD-CE1 3.54Å; K409-Y415 WeakPolarHBondContact CE-OH 2.98Å; K409-Y415 HydrophobicContact CG-CD1 3.81Å; K409-Y415 HydrophobicContact CG-CE1 3.51Å; K409-Y415 PolarHBondContact NZ-OH 2.94Å
410	T	86.3	Confident	86.8	Confident	63 Å²	63	59.3 Å²	59.3	39%	0.387	30%	0.304	S	S	.	.			trans	-109.2	-81.9	-180	50.6	0	0	0	0	111.5	N414 L416	T410-N414 PolarHBondContact N-O 3.12Å; T410-N414 PolarHBondContact OG1-O 2.83Å; T410-L416 HydrophobicContact CG2-CD1 3.59Å; T410-L416 HydrophobicContact CG2-CG 3.66Å
411	Y	79.9	Confident	87	Confident	144 Å²	144	54.4 Å²	54.4	57%	0.565	29%	0.286	S	S	*	.	S	Bend	trans	-137.2	149.7	176.5	62.9	-91.6	0	0	0	109.5	N414	Y411-N414 WeakPolarHBondContact CE2-ND2 3.48Å; Y411-N414 VanDerWaalsContact O-CB 3.31Å; Y411-N414 WeakPolarHBondContact O-CB 3.48Å; Y411-N414 PolarHBondContact O-N 2.79Å; Y411-N414 VanDerWaalsContact O-N 3.1Å; Y411-N414 PolarHBondContact O-ND2 2.8Å
412	E	80.3	Confident	88	Confident	147 Å²	147	57.5 Å²	57.5	69%	0.687	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	-138.9	-172.5	-54.3	158.1	165.3	0	0	110.4	K409 N414	K409-E412 WeakPolarHBondContact CE-O 3.45Å; E412-N414 VanDerWaalsContact C-N 3.33Å; E412-N414 PolarHBondContact OE2-ND2 3.03Å; E412-N414 VanDerWaalsContact OE2-ND2 3.14Å
413	N	85.4	Confident	89.2	Confident	44 Å²	44	53.4 Å²	53.4	24%	0.235	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	33.8	173.6	-68.2	-28.8	0	0	0	112.5	V384 I395 K409 Y415	V384-N413 PolarHBondContact N-O 2.85Å; V384-N413 WeakPolarHBondContact O-CB 3.43Å; I395-N413 HydrophobicContact CD1-CB 4.46Å; K409-N413 PolarHBondContact NZ-OD1 3.39Å; N413-Y415 HydrophobicContact CB-CE2 4.36Å; N413-Y415 WeakPolarHBondContact O-CD2 3.44Å; N413-Y415 VanDerWaalsContact O-CE2 3.29Å; N413-Y415 WeakPolarHBondContact O-CE2 3.39Å
414	N	90.7	Very high	89.8	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.8	169.2	-55	-92.7	0	0	0	110.4	L381 R383 T410 Y411 E412	L381-N414 HydrophobicContact CD1-CB 4.4Å; R383-N414 WeakPolarHBondContact CG-OD1 3.31Å; R383-N414 PolarHBondContact NE-OD1 2.85Å; T410-N414 PolarHBondContact N-O 3.12Å; T410-N414 PolarHBondContact OG1-O 2.83Å; Y411-N414 WeakPolarHBondContact CE2-ND2 3.48Å; Y411-N414 VanDerWaalsContact O-CB 3.31Å; Y411-N414 WeakPolarHBondContact O-CB 3.48Å; Y411-N414 PolarHBondContact O-N 2.79Å; Y411-N414 VanDerWaalsContact O-N 3.1Å; Y411-N414 PolarHBondContact O-ND2 2.8Å; E412-N414 VanDerWaalsContact C-N 3.33Å; E412-N414 PolarHBondContact OE2-ND2 3.03Å; E412-N414 VanDerWaalsContact OE2-ND2 3.14Å
415	Y	91.7	Very high	90	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.4	-179.5	-53.7	-101.7	0	0	0	110.2	V382 V384 I395 C397 L407 Q408 K409 N413	V382-Y415 PolarHBondContact N-O 2.95Å; V382-Y415 PolarHBondContact O-N 2.84Å; V384-Y415 HydrophobicContact CG2-CD2 4.25Å; V384-Y415 HydrophobicContact CG2-CE2 4.1Å; I395-Y415 PolarHBondContact O-OH 2.88Å; C397-Y415 HydrophobicContact CB-CD1 4.08Å; C397-Y415 HydrophobicContact CB-CD2 4.02Å; C397-Y415 HydrophobicContact CB-CE1 3.61Å; C397-Y415 HydrophobicContact CB-CE2 3.56Å; C397-Y415 HydrophobicContact CB-CG 4.28Å; L407-Y415 HydrophobicContact CD1-CG 4.41Å; L407-Y415 HydrophobicContact CD2-CD1 4.01Å; L407-Y415 HydrophobicContact CD2-CG 4.45Å; L407-Y415 HydrophobicContact CG-CD1 4.11Å; L407-Y415 HydrophobicContact CG-CG 4.42Å; Q408-Y415 CarbonylContact O-C 3.51Å; Q408-Y415 WeakPolarHBondContact O-CA 3.46Å; K409-Y415 HydrophobicContact CB-CD1 3.61Å; K409-Y415 HydrophobicContact CB-CE1 3.63Å; K409-Y415 HydrophobicContact CD-CD1 4.35Å; K409-Y415 HydrophobicContact CD-CE1 3.54Å; K409-Y415 WeakPolarHBondContact CE-OH 2.98Å; K409-Y415 HydrophobicContact CG-CD1 3.81Å; K409-Y415 HydrophobicContact CG-CE1 3.51Å; K409-Y415 PolarHBondContact NZ-OH 2.94Å; N413-Y415 HydrophobicContact CB-CE2 4.36Å; N413-Y415 WeakPolarHBondContact O-CD2 3.44Å; N413-Y415 VanDerWaalsContact O-CE2 3.29Å; N413-Y415 WeakPolarHBondContact O-CE2 3.39Å
416	L	91.4	Very high	90.1	Very high	46 Å²	46	53.8 Å²	53.8	24%	0.241	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.4	171.4	-57.7	174.4	0	0	0	109.5	F378 L381 Q408 T410 L418	F378-L416 HydrophobicContact CD2-CD2 3.92Å; F378-L416 HydrophobicContact CE2-CD2 3.61Å; L381-L416 HydrophobicContact CD1-CD2 3.87Å; Q408-L416 PolarHBondContact N-O 3.47Å; Q408-L416 PolarHBondContact O-N 2.73Å; T410-L416 HydrophobicContact CG2-CD1 3.59Å; T410-L416 HydrophobicContact CG2-CG 3.66Å; L416-L418 HydrophobicContact CB-CD2 4.01Å; L416-L418 HydrophobicContact CB-CG 4.24Å
417	I	91.9	Very high	90.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.1	164.1	-63	177.2	0	0	0	107.5	V379 A380 V382 L399 F405 K406 L407 L433 V435 F451	V379-I417 HydrophobicContact CB-CG2 4.18Å; V379-I417 WeakPolarHBondContact CB-O 3.42Å; V379-I417 PolarHBondContact N-O 3.04Å; A380-I417 HydrophobicContact CB-CB 4.46Å; A380-I417 PolarHBondContact O-N 2.89Å; V382-I417 HydrophobicContact CG2-CD1 3.63Å; V382-I417 HydrophobicContact CG2-CG1 4.02Å; L399-I417 HydrophobicContact CD1-CD1 3.92Å; L399-I417 HydrophobicContact CD2-CG1 4.44Å; L399-I417 HydrophobicContact CD2-CG2 4.18Å; F405-I417 HydrophobicContact CB-CG2 4.35Å; F405-I417 HydrophobicContact CD1-CG2 4.44Å; K406-I417 WeakPolarHBondContact O-CA 3.3Å; L407-I417 HydrophobicContact CD1-CD1 4.39Å; L407-I417 HydrophobicContact CD1-CG1 3.67Å; I417-L433 HydrophobicContact CG2-CD1 4.31Å; I417-V435 HydrophobicContact CD1-CG2 4.07Å; I417-F451 HydrophobicContact CD1-CE1 3.6Å; I417-F451 HydrophobicContact CD1-CZ 3.51Å
418	L	91.5	Very high	90	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.4	-177.8	-53.9	-177.6	0	0	0	110.8	T377 F378 F405 K406 L416	T377-L418 CarbonylContact O-C 3.52Å; T377-L418 VanDerWaalsContact O-CA 3.24Å; T377-L418 WeakPolarHBondContact O-CA 3.11Å; F378-L418 HydrophobicContact CB-CD2 4.06Å; F378-L418 HydrophobicContact CD2-CD2 4.27Å; F405-L418 CarbonylContact C-O 3.59Å; F405-L418 VanDerWaalsContact CA-O 3.31Å; F405-L418 WeakPolarHBondContact CA-O 3.46Å; K406-L418 HydrophobicContact CG-CB 4.09Å; K406-L418 PolarHBondContact N-O 2.76Å; K406-L418 PolarHBondContact O-N 3.49Å; L416-L418 HydrophobicContact CB-CD2 4.01Å; L416-L418 HydrophobicContact CB-CG 4.24Å
419	T	92.6	Very high	90	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	145.1	164.4	55.7	0	0	0	0	110.9	I369 P374 I375 D376 T377 V379 H404 F405 L423	I369-T419 HydrophobicContact CD1-CG2 3.47Å; I369-T419 VanDerWaalsContact CD1-CG2 3.47Å; P374-T419 PolarHBondContact O-OG1 2.99Å; I375-T419 WeakPolarHBondContact CA-OG1 3.22Å; D376-T419 WeakPolarHBondContact CA-O 3.44Å; D376-T419 PolarHBondContact N-O 2.84Å; D376-T419 PolarHBondContact N-OG1 2.58Å; D376-T419 VanDerWaalsContact N-OG1 3.09Å; T377-T419 PolarHBondContact N-OG1 2.91Å; T377-T419 PolarHBondContact O-N 2.87Å; V379-T419 HydrophobicContact CG2-CG2 4.36Å; H404-T419 CarbonylContact O-C 3.47Å; H404-T419 WeakPolarHBondContact O-CA 3.18Å; F405-T419 HydrophobicContact CD1-CG2 4.47Å; F405-T419 HydrophobicContact CE1-CG2 4.19Å; T419-L423 HydrophobicContact CG2-CD1 3.95Å; T419-L423 HydrophobicContact CG2-CG 4.34Å
420	N	92.3	Very high	90.1	Very high	78 Å²	78	59.3 Å²	59.3	42%	0.417	30%	0.295	S	S	.	.	S	Bend	trans	-125.3	-15	-178.2	-176.4	64.1	0	0	0	112.1	G403 H404 K406	G403-N420 PolarHBondContact O-ND2 2.76Å; H404-N420 PolarHBondContact O-N 3.24Å; K406-N420 HydrophobicContact CB-CB 3.98Å; K406-N420 HydrophobicContact CD-CB 4.11Å; K406-N420 HydrophobicContact CG-CB 4.07Å
421	A	90.3	Very high	90.3	Very high	30 Å²	30	56.8 Å²	56.8	25%	0.248	28%	0.279	C	S	.	.	S	Bend	trans	-139.7	167.4	170	0	0	0	0	0	108.5	H404	H404-A421 HydrophobicContact CB-CB 4.49Å; H404-A421 PolarHBondContact O-N 2.86Å
422	T	90.6	Very high	90.8	Very high	100 Å²	100	53 Å²	53	61%	0.613	27%	0.274	S	S	*	.			trans	-60.9	150.5	168.4	50.4	0	0	0	0	110.6	I375 H404	I375-T422 HydrophobicContact CG1-CG2 4.47Å; H404-T422 PolarHBondContact ND1-O 3.1Å
423	L	92.1	Very high	91.4	Very high	11 Å²	11	46 Å²	46	6%	0.058	24%	0.241	C	C	.	.			trans	-102.3	164.9	174.2	-61.6	-178.1	0	0	0	109.5	I369 E371 H404 F405 T419 Y431 I455	I369-L423 HydrophobicContact CD1-CD1 3.99Å; I369-L423 HydrophobicContact CG1-CD1 4.27Å; I369-L423 HydrophobicContact CG2-CD1 3.58Å; E371-L423 HydrophobicContact CB-CB 4.38Å; H404-L423 HydrophobicContact CB-CD2 4.01Å; F405-L423 HydrophobicContact CE1-CD1 4.47Å; F405-L423 HydrophobicContact CE2-CD2 4.44Å; F405-L423 HydrophobicContact CZ-CD1 4.28Å; F405-L423 HydrophobicContact CZ-CD2 4.03Å; T419-L423 HydrophobicContact CG2-CD1 3.95Å; T419-L423 HydrophobicContact CG2-CG 4.34Å; L423-Y431 HydrophobicContact CD2-CE2 4.27Å; L423-I455 HydrophobicContact CB-CD1 4.03Å; L423-I455 HydrophobicContact CD1-CD1 4.18Å; L423-I455 HydrophobicContact CD1-CG1 4.24Å; L423-I455 HydrophobicContact CD2-CD1 4.32Å; L423-I455 HydrophobicContact CG-CD1 4.4Å
424	D	92.1	Very high	91.7	Very high	49 Å²	49	45 Å²	45	26%	0.262	24%	0.236	S	C	.	.			trans	-169	105.8	-166.4	-168.9	-74.8	0	0	0	107.7	K427 R428	D424-K427 HydrophobicContact CB-CB 4.34Å; D424-K427 HydrophobicContact CB-CD 4.27Å; D424-K427 WeakPolarHBondContact OD1-CB 3.29Å; D424-K427 WeakPolarHBondContact OD1-CD 3.08Å; D424-K427 WeakPolarHBondContact OD1-CG 3.33Å; D424-K427 PolarHBondContact OD1-N 2.81Å; D424-K427 IonicContact OD1-NZ 2.69Å; D424-K427 PolarHBondContact OD1-NZ 3.14Å; D424-K427 WeakPolarHBondContact OD2-CE 3.36Å; D424-K427 IonicContact OD2-NZ 3.19Å; D424-K427 PolarHBondContact OD2-NZ 2.89Å; D424-R428 PolarHBondContact O-N 3.11Å
425	R	94.4	Very high	91.8	Very high	29 Å²	29	44.5 Å²	44.5	11%	0.109	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-32.7	-167.5	-173.7	-146.6	60.4	103.6	-2.3	111.5	E371 K427 R428 S429 I455 D457 P492	E371-R425 WeakPolarHBondContact OE2-CB 3.45Å; E371-R425 PolarHBondContact OE2-N 2.83Å; R425-K427 VanDerWaalsContact C-N 3.32Å; R425-K427 PolarHBondContact O-N 3.29Å; R425-R428 CarbonylContact O-C 3.6Å; R425-R428 PolarHBondContact O-N 3.02Å; R425-R428 VanDerWaalsContact O-N 3.11Å; R425-S429 PolarHBondContact O-N 2.91Å; R425-S429 VanDerWaalsContact O-N 3.09Å; R425-I455 HydrophobicContact CB-CB 4.37Å; R425-I455 HydrophobicContact CB-CG2 3.75Å; R425-I455 HydrophobicContact CG-CB 4.33Å; R425-I455 HydrophobicContact CG-CG2 4.12Å; R425-D457 WeakPolarHBondContact CD-OD1 2.81Å; R425-D457 IonicContact CZ-OD1 3.66Å; R425-D457 IonicContact NE-OD1 3.87Å; R425-D457 PolarHBondContact NE-OD1 2.99Å; R425-D457 IonicContact NH1-OD1 3.59Å; R425-D457 IonicContact NH2-OD1 3.42Å; R425-D457 PolarHBondContact NH2-OD1 2.74Å; R425-P492 PolarHBondContact NH2-O 2.77Å
426	E	93.4	Very high	91.9	Very high	61 Å²	61	46.2 Å²	46.2	29%	0.285	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-35.8	178.6	-61.2	59.7	-116.9	0	0	110.3	P492	E426-P492 HydrophobicContact CG-CB 3.86Å; E426-P492 HydrophobicContact CG-CG 4.16Å
427	K	91.4	Very high	92.1	Very high	163 Å²	163	44 Å²	44	71%	0.709	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-40.9	167.3	-72.5	167.2	-159.2	67.4	0	111.7	D424 R425	D424-K427 HydrophobicContact CB-CB 4.34Å; D424-K427 HydrophobicContact CB-CD 4.27Å; D424-K427 WeakPolarHBondContact OD1-CB 3.29Å; D424-K427 WeakPolarHBondContact OD1-CD 3.08Å; D424-K427 WeakPolarHBondContact OD1-CG 3.33Å; D424-K427 PolarHBondContact OD1-N 2.81Å; D424-K427 IonicContact OD1-NZ 2.69Å; D424-K427 PolarHBondContact OD1-NZ 3.14Å; D424-K427 WeakPolarHBondContact OD2-CE 3.36Å; D424-K427 IonicContact OD2-NZ 3.19Å; D424-K427 PolarHBondContact OD2-NZ 2.89Å; R425-K427 VanDerWaalsContact C-N 3.32Å; R425-K427 PolarHBondContact O-N 3.29Å
428	R	90.9	Very high	92.2	Very high	84 Å²	84	46.9 Å²	46.9	32%	0.317	25%	0.245	S	C	.	.			trans	-162.4	109.3	-178.5	-175.3	163.7	-179.3	171.2	4.3	114	H402 D424 R425 E430 Y431 I455	H402-R428 PolarHBondContact CD2-NH1 2.9Å; H402-R428 PolarHBondContact CD2-NH2 2.9Å; H402-R428 PolarHBondContact CE1-NH1 3.01Å; H402-R428 VanDerWaalsContact CE1-NH1 3.3Å; H402-R428 PolarHBondContact NE2-NH1 3.2Å; H402-R428 PolarHBondContact NE2-NH2 3.09Å; D424-R428 PolarHBondContact O-N 3.11Å; R425-R428 CarbonylContact O-C 3.6Å; R425-R428 PolarHBondContact O-N 3.02Å; R425-R428 VanDerWaalsContact O-N 3.11Å; R428-E430 WeakPolarHBondContact CG-O 3.31Å; R428-E430 PolarHBondContact NE-O 2.82Å; R428-E430 PolarHBondContact O-N 3.48Å; R428-Y431 HydrophobicContact CB-CE2 4.34Å; R428-Y431 HydrophobicContact CG-CD2 4.44Å; R428-Y431 HydrophobicContact CG-CE1 4.5Å; R428-Y431 HydrophobicContact CG-CE2 3.97Å; R428-I455 VanDerWaalsContact O-CD1 3.31Å; R428-I455 WeakPolarHBondContact O-CD1 3.48Å
429	S	90.6	Very high	92.4	Very high	62 Å²	62	46.4 Å²	46.4	43%	0.434	24%	0.243	S	C	.	.	S	Bend	trans	-76.3	-17.1	-179.8	56.8	0	0	0	0	116.1	R425 I455	R425-S429 PolarHBondContact O-N 2.91Å; R425-S429 VanDerWaalsContact O-N 3.09Å; S429-I455 PolarHBondContact O-N 2.88Å
430	E	92.2	Very high	92.4	Very high	101 Å²	101	50.6 Å²	50.6	47%	0.472	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.2	-179.9	62.6	166.8	-143.4	0	0	115.4	R428 T452 V453	R428-E430 WeakPolarHBondContact CG-O 3.31Å; R428-E430 PolarHBondContact NE-O 2.82Å; R428-E430 PolarHBondContact O-N 3.48Å; E430-T452 HydrophobicContact CB-CG2 4.3Å; E430-V453 WeakPolarHBondContact CA-O 3.47Å
431	Y	90.8	Very high	92.4	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	114.7	174.9	-69.8	-95.2	0	0	0	110.5	H402 H404 F405 L423 R428 V453 I455	H402-Y431 HydrophobicContact CB-CD1 4.05Å; H402-Y431 HydrophobicContact CB-CE1 3.94Å; H404-Y431 HydrophobicContact CB-CE1 4.46Å; H404-Y431 AromaticContact CD2-CE1 3.91Å; F405-Y431 AromaticContact CE2-CD1 3.88Å; F405-Y431 HydrophobicContact CE2-CD1 3.88Å; F405-Y431 AromaticContact CE2-CD2 3.86Å; F405-Y431 HydrophobicContact CE2-CD2 3.86Å; F405-Y431 HydrophobicContact CE2-CE1 4.39Å; F405-Y431 HydrophobicContact CE2-CE2 4.39Å; F405-Y431 AromaticContact CE2-CG 3.58Å; F405-Y431 HydrophobicContact CE2-CG 3.58Å; F405-Y431 HydrophobicContact CZ-CD2 4.17Å; F405-Y431 HydrophobicContact CZ-CG 4.28Å; L423-Y431 HydrophobicContact CD2-CE2 4.27Å; R428-Y431 HydrophobicContact CB-CE2 4.34Å; R428-Y431 HydrophobicContact CG-CD2 4.44Å; R428-Y431 HydrophobicContact CG-CE1 4.5Å; R428-Y431 HydrophobicContact CG-CE2 3.97Å; Y431-V453 PolarHBondContact N-O 2.8Å; Y431-V453 PolarHBondContact O-N 2.92Å; Y431-I455 HydrophobicContact CD2-CD1 3.86Å; Y431-I455 HydrophobicContact CE2-CD1 3.54Å
432	S	91.2	Very high	92.4	Very high	65 Å²	65	52.1 Å²	52.1	46%	0.455	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.2	163.2	-173	0	0	0	0	109.3
433	L	91.2	Very high	92.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.8	-180	-63.5	-175.3	0	0	0	109.8	L399 F405 I417 H450 F451 V453	L399-L433 HydrophobicContact CD1-CB 4.32Å; F405-L433 HydrophobicContact CB-CD1 4.24Å; F405-L433 HydrophobicContact CD1-CD1 4.13Å; F405-L433 HydrophobicContact CD2-CD1 3.97Å; F405-L433 HydrophobicContact CD2-CD2 3.79Å; F405-L433 HydrophobicContact CD2-CG 4.44Å; F405-L433 HydrophobicContact CE2-CD1 4.4Å; F405-L433 HydrophobicContact CE2-CD2 4.37Å; F405-L433 HydrophobicContact CG-CD1 3.82Å; F405-L433 HydrophobicContact CG-CD2 4.29Å; I417-L433 HydrophobicContact CG2-CD1 4.31Å; L433-H450 WeakPolarHBondContact O-CA 3.06Å; L433-F451 HydrophobicContact CB-CD1 4.16Å; L433-F451 HydrophobicContact CB-CE1 3.68Å; L433-F451 HydrophobicContact CB-CE2 4.44Å; L433-F451 HydrophobicContact CB-CZ 3.84Å; L433-F451 HydrophobicContact CD1-CE1 4.35Å; L433-F451 HydrophobicContact CD1-CE2 4.13Å; L433-F451 HydrophobicContact CD1-CZ 3.68Å; L433-F451 HydrophobicContact CG-CZ 4.35Å; L433-F451 PolarHBondContact N-O 3.02Å; L433-F451 PolarHBondContact O-N 3.09Å; L433-F451 VanDerWaalsContact O-O 3.12Å; L433-V453 HydrophobicContact CD1-CG2 3.61Å; L433-V453 HydrophobicContact CG-CG2 4.23Å
434	T	92.1	Very high	92.6	Very high	22 Å²	22	54.3 Å²	54.3	14%	0.135	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.3	-177.3	-57.8	0	0	0	0	109.6	H400 I436 V448 H450	H400-T434 PolarHBondContact N-O 2.78Å; H400-T434 WeakPolarHBondContact O-CA 3.4Å; H400-T434 VanDerWaalsContact O-CB 3.31Å; H400-T434 WeakPolarHBondContact O-CB 3.31Å; H400-T434 PolarHBondContact O-N 2.82Å; T434-I436 HydrophobicContact CG2-CG1 4.09Å; T434-V448 HydrophobicContact CG2-CG1 3.37Å; T434-H450 VanDerWaalsContact CG2-CE1 3.48Å; T434-H450 WeakPolarHBondContact CG2-CE1 3.32Å; T434-H450 WeakPolarHBondContact CG2-ND1 3.45Å; T434-H450 PolarHBondContact OG1-CE1 3.24Å; T434-H450 PolarHBondContact OG1-ND1 3.49Å
435	V	93	Very high	92.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127	171.5	-172.5	0	0	0	0	108	I354 I356 V382 C397 L399 I417 V448 K449 F451	I354-V435 HydrophobicContact CD1-CB 4.4Å; I354-V435 HydrophobicContact CD1-CG1 4.1Å; I354-V435 HydrophobicContact CG2-CB 4.38Å; I354-V435 HydrophobicContact CG2-CG1 4.06Å; I356-V435 HydrophobicContact CD1-CG2 3.9Å; V382-V435 HydrophobicContact CG1-CG1 3.99Å; V382-V435 HydrophobicContact CG2-CG2 4.11Å; C397-V435 VanDerWaalsContact SG-CG1 3.55Å; L399-V435 HydrophobicContact CD1-CG2 4.26Å; I417-V435 HydrophobicContact CD1-CG2 4.07Å; V435-V448 WeakPolarHBondContact O-CA 3.31Å; V435-K449 PolarHBondContact N-O 3.44Å; V435-K449 PolarHBondContact O-N 3.47Å; V435-F451 HydrophobicContact CG2-CD1 4.37Å; V435-F451 HydrophobicContact CG2-CE1 3.97Å
436	I	93.6	Very high	92.7	Very high	46 Å²	46	56.6 Å²	56.6	24%	0.236	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.4	174	-53.9	177.9	0	0	0	107.2	C397 K398 H400 T434 T447 V448	C397-I436 CarbonylContact C-O 3.33Å; C397-I436 WeakPolarHBondContact CA-O 3.25Å; K398-I436 HydrophobicContact CB-CB 4.49Å; K398-I436 PolarHBondContact N-O 2.56Å; K398-I436 PolarHBondContact O-N 2.83Å; H400-I436 HydrophobicContact CB-CD1 4.21Å; T434-I436 HydrophobicContact CG2-CG1 4.09Å; I436-T447 WeakPolarHBondContact CA-O 3.49Å; I436-V448 HydrophobicContact CG1-CG1 4.36Å; I436-V448 HydrophobicContact CG1-CG2 4.29Å; I436-V448 HydrophobicContact CG2-CG2 4.4Å
437	A	94.9	Very high	92.8	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.3	167.6	0	0	0	0	0	108.9	P352 I354 V384 I395 S446 T447	P352-A437 HydrophobicContact CB-CB 3.61Å; P352-A437 HydrophobicContact CG-CB 4.31Å; I354-A437 HydrophobicContact CD1-CB 3.73Å; I354-A437 HydrophobicContact CG1-CB 3.81Å; V384-A437 HydrophobicContact CG1-CB 3.6Å; V384-A437 HydrophobicContact CG2-CB 4.26Å; I395-A437 HydrophobicContact CG2-CB 4.19Å; A437-S446 CarbonylContact O-C 3.6Å; A437-S446 WeakPolarHBondContact O-CA 3.45Å; A437-S446 WeakPolarHBondContact O-CB 3.48Å; A437-T447 PolarHBondContact N-O 3.44Å; A437-T447 PolarHBondContact O-N 2.8Å
438	E	94.5	Very high	92.9	Very high	59 Å²	59	50.7 Å²	50.7	28%	0.276	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.9	-179.2	-174.5	-178.3	174.2	0	0	106.7	V396 K398 L445	V396-E438 PolarHBondContact N-O 2.58Å; V396-E438 PolarHBondContact O-N 3.05Å; V396-E438 VanDerWaalsContact O-N 3.11Å; K398-E438 IonicContact NZ-OE2 2.87Å; K398-E438 PolarHBondContact NZ-OE2 3.05Å; E438-L445 WeakPolarHBondContact CA-O 3.4Å
439	D	95.3	Very high	92.9	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.027	29%	0.291	C	S	.	.			trans	-79.7	-167.6	175.1	63	49	0	0	0	112.2	N348 P352 N392 G441 S444 L445	N348-D439 PolarHBondContact ND2-OD2 2.98Å; P352-D439 HydrophobicContact CG-CB 4.2Å; N392-D439 VanDerWaalsContact O-CB 3.27Å; N392-D439 WeakPolarHBondContact O-CB 3.36Å; D439-G441 PolarHBondContact OD1-N 3.49Å; D439-S444 WeakPolarHBondContact OD1-CA 3.15Å; D439-S444 WeakPolarHBondContact OD1-CB 3.4Å; D439-L445 VanDerWaalsContact CG-N 3.34Å; D439-L445 PolarHBondContact N-O 2.81Å; D439-L445 VanDerWaalsContact N-O 3.13Å; D439-L445 PolarHBondContact OD1-N 3.23Å; D439-L445 VanDerWaalsContact OD2-CA 3.25Å; D439-L445 WeakPolarHBondContact OD2-CA 3.44Å; D439-L445 VanDerWaalsContact OD2-CB 3.23Å; D439-L445 WeakPolarHBondContact OD2-CB 3.33Å; D439-L445 PolarHBondContact OD2-N 3.35Å; D439-L445 VanDerWaalsContact OD2-O 3.12Å
440	K	93.8	Very high	92.9	Very high	88 Å²	88	52.9 Å²	52.9	38%	0.383	30%	0.296	S	S	.	.	S	Bend	trans	-121.9	22.5	167.6	-63.8	-176.6	-160.9	171.8	0	113	L391 E394 V396	L391-K440 CarbonylContact O-C 3.6Å; L391-K440 WeakPolarHBondContact O-CB 3.34Å; L391-K440 PolarHBondContact O-N 2.86Å; E394-K440 HydrophobicContact CB-CD 4.31Å; E394-K440 VanDerWaalsContact CD-CE 3.48Å; E394-K440 WeakPolarHBondContact O-CG 3.22Å; E394-K440 WeakPolarHBondContact OE1-CE 3.19Å; E394-K440 IonicContact OE1-NZ 2.61Å; E394-K440 PolarHBondContact OE1-NZ 2.95Å; E394-K440 WeakPolarHBondContact OE2-CD 3.44Å; E394-K440 WeakPolarHBondContact OE2-CE 3.48Å; E394-K440 IonicContact OE2-NZ 3.35Å; E394-K440 PolarHBondContact OE2-NZ 3.06Å; V396-K440 HydrophobicContact CG2-CG 4.14Å
441	G	91.8	Very high	92.8	Very high	6 Å²	6	48.3 Å²	48.3	6%	0.062	27%	0.274	C	S	.	.	S	Bend	trans	-67.2	173.3	170.4	0	0	0	0	0	112.3	N348 N392 D439 P443 S444	N348-G441 WeakPolarHBondContact OD1-CA 3.24Å; N392-G441 WeakPolarHBondContact OD1-CA 3.05Å; D439-G441 PolarHBondContact OD1-N 3.49Å; G441-P443 CarbonylContact C-O 3.56Å; G441-P443 CarbonylContact O-C 3.54Å; G441-S444 WeakPolarHBondContact O-CA 3.49Å; G441-S444 PolarHBondContact O-N 2.92Å
442	T	90.2	Very high	92.7	Very high	134 Å²	134	49.7 Å²	49.7	82%	0.822	28%	0.283	S	S	*	.	S	Bend	trans	-135.4	105	176.4	56.9	0	0	0	0	110.2
443	P	93	Very high	92.7	Very high	102 Å²	102	46.6 Å²	46.6	66%	0.662	26%	0.262	S	S	*	.	S	Bend	cis	-66.9	149.7	-0.7	31.4	-36.7	0	0	0	112.2	N348 G441	N348-P443 PolarHBondContact ND2-O 2.74Å; N348-P443 VanDerWaalsContact ND2-O 3.16Å; G441-P443 CarbonylContact C-O 3.56Å; G441-P443 CarbonylContact O-C 3.54Å
444	S	93.9	Very high	92.7	Very high	56 Å²	56	49.5 Å²	49.5	39%	0.392	28%	0.276	S	S	.	.			trans	-77.7	139.2	173.7	55.8	0	0	0	0	111.4	D439 G441	D439-S444 WeakPolarHBondContact OD1-CA 3.15Å; D439-S444 WeakPolarHBondContact OD1-CB 3.4Å; G441-S444 WeakPolarHBondContact O-CA 3.49Å; G441-S444 PolarHBondContact O-N 2.92Å
445	L	94.2	Very high	92.7	Very high	58 Å²	58	49 Å²	49	30%	0.304	27%	0.272	S	S	.	.			trans	-104.5	156.6	174.8	-58.3	171.3	0	0	0	109.4	N348 N350 K351 E438 D439	N348-L445 WeakPolarHBondContact ND2-CG 3.21Å; N350-L445 WeakPolarHBondContact O-CD1 3.34Å; K351-L445 HydrophobicContact CB-CB 3.84Å; K351-L445 HydrophobicContact CB-CD1 4.46Å; E438-L445 WeakPolarHBondContact CA-O 3.4Å; D439-L445 VanDerWaalsContact CG-N 3.34Å; D439-L445 PolarHBondContact N-O 2.81Å; D439-L445 VanDerWaalsContact N-O 3.13Å; D439-L445 PolarHBondContact OD1-N 3.23Å; D439-L445 VanDerWaalsContact OD2-CA 3.25Å; D439-L445 WeakPolarHBondContact OD2-CA 3.44Å; D439-L445 VanDerWaalsContact OD2-CB 3.23Å; D439-L445 WeakPolarHBondContact OD2-CB 3.33Å; D439-L445 PolarHBondContact OD2-N 3.35Å; D439-L445 VanDerWaalsContact OD2-O 3.12Å
446	S	94.7	Very high	92.6	Very high	68 Å²	68	51.3 Å²	51.3	48%	0.476	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	151.5	-177.6	56.4	0	0	0	0	112.8	A437	A437-S446 CarbonylContact O-C 3.6Å; A437-S446 WeakPolarHBondContact O-CA 3.45Å; A437-S446 WeakPolarHBondContact O-CB 3.48Å
447	T	95.4	Very high	92.5	Very high	26 Å²	26	50.3 Å²	50.3	16%	0.16	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141	175.4	-67.5	0	0	0	0	108.9	P352 I354 I436 A437	P352-T447 WeakPolarHBondContact O-CB 3.46Å; P352-T447 PolarHBondContact O-OG1 3.39Å; I354-T447 HydrophobicContact CD1-CG2 3.93Å; I354-T447 WeakPolarHBondContact CD1-O 3.33Å; I354-T447 HydrophobicContact CG1-CG2 3.97Å; I436-T447 WeakPolarHBondContact CA-O 3.49Å; A437-T447 PolarHBondContact N-O 3.44Å; A437-T447 PolarHBondContact O-N 2.8Å
448	V	94	Very high	92.3	Very high	74 Å²	74	53.5 Å²	53.5	45%	0.448	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.5	178	-175.9	0	0	0	0	108.1	T434 V435 I436	T434-V448 HydrophobicContact CG2-CG1 3.37Å; V435-V448 WeakPolarHBondContact O-CA 3.31Å; I436-V448 HydrophobicContact CG1-CG1 4.36Å; I436-V448 HydrophobicContact CG1-CG2 4.29Å; I436-V448 HydrophobicContact CG2-CG2 4.4Å
449	K	91.2	Very high	92.2	Very high	75 Å²	75	51.8 Å²	51.8	33%	0.326	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.1	177.1	-169.4	161.2	179.1	163.2	0	110.2	I354 I356 V435	I354-K449 HydrophobicContact CB-CB 4.17Å; I354-K449 HydrophobicContact CB-CD 4.06Å; I354-K449 HydrophobicContact CD1-CB 4.14Å; I354-K449 HydrophobicContact CG2-CB 4.15Å; I354-K449 HydrophobicContact CG2-CD 4.09Å; I354-K449 WeakPolarHBondContact O-CD 3.3Å; I354-K449 WeakPolarHBondContact O-CE 3.11Å; I354-K449 PolarHBondContact O-NZ 2.88Å; I356-K449 HydrophobicContact CD1-CB 4.36Å; I356-K449 HydrophobicContact CD1-CD 4.01Å; I356-K449 HydrophobicContact CD1-CG 3.92Å; I356-K449 HydrophobicContact CG1-CD 4.14Å; V435-K449 PolarHBondContact N-O 3.44Å; V435-K449 PolarHBondContact O-N 3.47Å
450	H	90.1	Very high	91.9	Very high	116 Å²	116	56.3 Å²	56.3	54%	0.537	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.6	179.8	-51.5	-77.7	0	0	0	110.2	L433 T434	L433-H450 WeakPolarHBondContact O-CA 3.06Å; T434-H450 VanDerWaalsContact CG2-CE1 3.48Å; T434-H450 WeakPolarHBondContact CG2-CE1 3.32Å; T434-H450 WeakPolarHBondContact CG2-ND1 3.45Å; T434-H450 PolarHBondContact OG1-CE1 3.24Å; T434-H450 PolarHBondContact OG1-ND1 3.49Å
451	F	89.2	Confident	91.8	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.3	166.1	74.2	-78.3	0	0	0	109.5	I356 L358 V379 A380 I417 L433 V435 V453	I356-F451 HydrophobicContact CD1-CD1 3.86Å; I356-F451 HydrophobicContact CD1-CE1 4.37Å; L358-F451 HydrophobicContact CD2-CD2 3.75Å; L358-F451 HydrophobicContact CD2-CE2 4.13Å; L358-F451 HydrophobicContact CD2-CG 4.39Å; V379-F451 HydrophobicContact CG1-CE2 4.44Å; A380-F451 HydrophobicContact CB-CE2 4.33Å; A380-F451 HydrophobicContact CB-CZ 4.34Å; I417-F451 HydrophobicContact CD1-CE1 3.6Å; I417-F451 HydrophobicContact CD1-CZ 3.51Å; L433-F451 HydrophobicContact CB-CD1 4.16Å; L433-F451 HydrophobicContact CB-CE1 3.68Å; L433-F451 HydrophobicContact CB-CE2 4.44Å; L433-F451 HydrophobicContact CB-CZ 3.84Å; L433-F451 HydrophobicContact CD1-CE1 4.35Å; L433-F451 HydrophobicContact CD1-CE2 4.13Å; L433-F451 HydrophobicContact CD1-CZ 3.68Å; L433-F451 HydrophobicContact CG-CZ 4.35Å; L433-F451 PolarHBondContact N-O 3.02Å; L433-F451 PolarHBondContact O-N 3.09Å; L433-F451 VanDerWaalsContact O-O 3.12Å; V435-F451 HydrophobicContact CG2-CD1 4.37Å; V435-F451 HydrophobicContact CG2-CE1 3.97Å; F451-V453 HydrophobicContact CD2-CG2 4.32Å; F451-V453 HydrophobicContact CE2-CG2 3.69Å; F451-V453 HydrophobicContact CZ-CG2 4.47Å
452	T	90.2	Very high	91.8	Very high	37 Å²	37	57.2 Å²	57.2	23%	0.227	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.5	-179.7	-59.9	0	0	0	0	110.5	E365 I366 S367 E430 Q454	E365-T452 PolarHBondContact O-N 2.68Å; I366-T452 WeakPolarHBondContact CA-O 3.32Å; S367-T452 PolarHBondContact N-O 3.31Å; E430-T452 HydrophobicContact CB-CG2 4.3Å; T452-Q454 HydrophobicContact CG2-CG 4.17Å
453	V	90.7	Very high	92	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116	166.7	-176.6	0	0	0	0	107.2	S367 I369 V379 F405 E430 Y431 L433 F451	S367-V453 WeakPolarHBondContact O-CA 3.23Å; I369-V453 HydrophobicContact CG2-CG1 3.55Å; V379-V453 HydrophobicContact CG1-CG1 4.21Å; V379-V453 HydrophobicContact CG1-CG2 3.63Å; F405-V453 HydrophobicContact CE1-CG1 4.26Å; F405-V453 HydrophobicContact CE1-CG2 4.46Å; F405-V453 HydrophobicContact CZ-CB 4.33Å; F405-V453 HydrophobicContact CZ-CG1 4.07Å; F405-V453 HydrophobicContact CZ-CG2 4.47Å; E430-V453 WeakPolarHBondContact CA-O 3.47Å; Y431-V453 PolarHBondContact N-O 2.8Å; Y431-V453 PolarHBondContact O-N 2.92Å; L433-V453 HydrophobicContact CD1-CG2 3.61Å; L433-V453 HydrophobicContact CG-CG2 4.23Å; F451-V453 HydrophobicContact CD2-CG2 4.32Å; F451-V453 HydrophobicContact CE2-CG2 3.69Å; F451-V453 HydrophobicContact CZ-CG2 4.47Å
454	Q	90.8	Very high	92	Very high	62 Å²	62	52.2 Å²	52.2	29%	0.29	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.7	170.4	-68.8	-170.5	-38.1	0	0	109	I366 S367 Y368 I369 T452	I366-Q454 HydrophobicContact CG2-CB 4.31Å; I366-Q454 HydrophobicContact CG2-CG 3.89Å; S367-Q454 PolarHBondContact O-N 3.25Å; Y368-Q454 WeakPolarHBondContact CA-O 3.07Å; Y368-Q454 HydrophobicContact CD1-CB 4.02Å; Y368-Q454 HydrophobicContact CE1-CB 4.09Å; Y368-Q454 VanDerWaalsContact CE1-OE1 3.28Å; Y368-Q454 PolarHBondContact OH-OE1 3.36Å; I369-Q454 PolarHBondContact N-O 3.26Å; T452-Q454 HydrophobicContact CG2-CG 4.17Å
455	I	92.3	Very high	92	Very high	11 Å²	11	50 Å²	50	6%	0.056	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.2	178	-66.2	166	0	0	0	108.8	I369 E371 L423 R425 R428 S429 Y431	I369-I455 HydrophobicContact CG2-CG1 4.11Å; I369-I455 CarbonylContact O-C 3.59Å; I369-I455 WeakPolarHBondContact O-CA 3.47Å; E371-I455 HydrophobicContact CB-CG2 3.75Å; L423-I455 HydrophobicContact CB-CD1 4.03Å; L423-I455 HydrophobicContact CD1-CD1 4.18Å; L423-I455 HydrophobicContact CD1-CG1 4.24Å; L423-I455 HydrophobicContact CD2-CD1 4.32Å; L423-I455 HydrophobicContact CG-CD1 4.4Å; R425-I455 HydrophobicContact CB-CB 4.37Å; R425-I455 HydrophobicContact CB-CG2 3.75Å; R425-I455 HydrophobicContact CG-CB 4.33Å; R425-I455 HydrophobicContact CG-CG2 4.12Å; R428-I455 VanDerWaalsContact O-CD1 3.31Å; R428-I455 WeakPolarHBondContact O-CD1 3.48Å; S429-I455 PolarHBondContact O-N 2.88Å; Y431-I455 HydrophobicContact CD2-CD1 3.86Å; Y431-I455 HydrophobicContact CE2-CD1 3.54Å
456	N	91.1	Very high	91.7	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.5	171.3	-70.5	-14.9	0	0	0	109.9	Y368 I369 F370 E371	Y368-N456 WeakPolarHBondContact CD1-OD1 3.32Å; I369-N456 PolarHBondContact O-N 2.86Å; F370-N456 WeakPolarHBondContact CA-O 3.24Å; F370-N456 HydrophobicContact CD1-CB 3.37Å; F370-N456 HydrophobicContact CE1-CB 3.51Å; F370-N456 HydrophobicContact CG-CB 3.93Å; F370-N456 HydrophobicContact CZ-CB 4.18Å; F370-N456 WeakPolarHBondContact CZ-ND2 3Å; E371-N456 PolarHBondContact N-O 3.13Å
457	D	91.6	Very high	91.5	Very high	25 Å²	25	57.2 Å²	57.2	13%	0.134	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-67.9	139.7	-179.1	-165.3	93.2	0	0	0	113.1	E371 R425 L494 N497	E371-D457 VanDerWaalsContact OE1-CA 3.24Å; E371-D457 WeakPolarHBondContact OE1-CA 3.48Å; R425-D457 WeakPolarHBondContact CD-OD1 2.81Å; R425-D457 IonicContact CZ-OD1 3.66Å; R425-D457 IonicContact NE-OD1 3.87Å; R425-D457 PolarHBondContact NE-OD1 2.99Å; R425-D457 IonicContact NH1-OD1 3.59Å; R425-D457 IonicContact NH2-OD1 3.42Å; R425-D457 PolarHBondContact NH2-OD1 2.74Å; D457-L494 HydrophobicContact CB-CB 3.86Å; D457-L494 VanDerWaalsContact CG-CB 3.49Å; D457-L494 VanDerWaalsContact CG-N 3.29Å; D457-L494 WeakPolarHBondContact OD1-CA 3.19Å; D457-L494 WeakPolarHBondContact OD1-CB 3.49Å; D457-L494 PolarHBondContact OD1-N 3.41Å; D457-L494 PolarHBondContact OD2-N 3.39Å; D457-N497 WeakPolarHBondContact OD2-CB 3.28Å; D457-N497 PolarHBondContact OD2-ND2 3.39Å
458	I	91.1	Very high	91.1	Very high	66 Å²	66	61 Å²	61	34%	0.338	31%	0.311	S	S	.	.			trans	-122.8	135.1	164.1	-63.5	-173.8	0	0	0	108.4	F370 E371 D460	F370-I458 HydrophobicContact CB-CD1 3.93Å; F370-I458 HydrophobicContact CB-CG1 4.15Å; F370-I458 HydrophobicContact CD1-CG1 4.15Å; E371-I458 HydrophobicContact CG-CB 4.25Å; E371-I458 HydrophobicContact CG-CG1 4.34Å; E371-I458 PolarHBondContact OE1-N 2.72Å; I458-D460 WeakPolarHBondContact O-CB 3.42Å; I458-D460 PolarHBondContact O-N 2.84Å
459	N	91.6	Very high	91	Very high	23 Å²	23	63 Å²	63	12%	0.123	31%	0.311	C	S	.	.			trans	-65.5	89.3	174.8	-158.9	99.5	0	0	0	111.8	D493 N497 D549 G551 K554 L556	N459-D493 WeakPolarHBondContact CA-OD2 3.28Å; N459-N497 HydrophobicContact CB-CB 4Å; N459-N497 PolarHBondContact N-ND2 2.84Å; N459-N497 WeakPolarHBondContact OD1-CA 3.34Å; N459-N497 WeakPolarHBondContact OD1-CB 3.34Å; N459-N497 PolarHBondContact OD1-OD1 2.75Å; N459-D549 PolarHBondContact ND2-OD2 2.9Å; N459-D549 PolarHBondContact OD1-OD2 2.89Å; N459-G551 WeakPolarHBondContact OD1-CA 3.35Å; N459-K554 PolarHBondContact ND2-O 2.99Å; N459-L556 WeakPolarHBondContact ND2-CD1 3.45Å; N459-L556 VanDerWaalsContact ND2-CG 3.34Å; N459-L556 WeakPolarHBondContact ND2-CG 3.47Å
460	D	89.8	Confident	91.1	Very high	100 Å²	100	59.9 Å²	59.9	54%	0.535	30%	0.297	S	S	.	.			trans	-121.7	-32.3	-165.3	153.4	-76.8	0	0	0	110.9	I458 D493	I458-D460 WeakPolarHBondContact O-CB 3.42Å; I458-D460 PolarHBondContact O-N 2.84Å; D460-D493 PolarHBondContact N-OD2 3.12Å
461	N	90.6	Very high	91.2	Very high	47 Å²	47	60.3 Å²	60.3	25%	0.251	30%	0.299	S	S	.	.	S	Bend	trans	-97.2	137.2	176.9	-62.9	-83.1	0	0	0	111.6	P492 D493 L556	N461-P492 HydrophobicContact CB-CG 3.44Å; N461-P492 VanDerWaalsContact CB-CG 3.44Å; N461-D493 WeakPolarHBondContact CB-OD1 3.27Å; N461-D493 PolarHBondContact N-OD2 2.77Å; N461-D493 VanDerWaalsContact N-OD2 3.07Å; N461-D493 PolarHBondContact ND2-OD1 3.28Å; N461-L556 VanDerWaalsContact C-CD1 3.49Å; N461-L556 VanDerWaalsContact O-CD1 3.3Å; N461-L556 WeakPolarHBondContact O-CD1 3.44Å
462	P	92	Very high	91.3	Very high	66 Å²	66	61.9 Å²	61.9	43%	0.429	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-83.6	150.3	172.7	32.7	-33.5	0	0	0	111.9	H464 D491 L556	P462-H464 PolarHBondContact O-N 3.39Å; P462-D491 VanDerWaalsContact C-OD2 3.31Å; P462-L556 HydrophobicContact CB-CB 3.96Å
463	P	94.8	Very high	91.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-57.2	126.9	175.1	-26.6	32.4	0	0	0	111.4	A489 D491 V500 A547 D549 S558	P463-A489 HydrophobicContact CB-CB 4.35Å; P463-D491 VanDerWaalsContact CA-OD2 3.26Å; P463-D491 WeakPolarHBondContact CA-OD2 3.26Å; P463-D491 HydrophobicContact CB-CB 4.49Å; P463-D491 WeakPolarHBondContact CD-OD2 3.3Å; P463-D491 VanDerWaalsContact CG-OD2 3.25Å; P463-D491 WeakPolarHBondContact CG-OD2 3.35Å; P463-V500 HydrophobicContact CB-CG1 4.3Å; P463-V500 HydrophobicContact CB-CG2 4.01Å; P463-V500 HydrophobicContact CG-CG2 4.38Å; P463-A547 HydrophobicContact CB-CB 4.05Å; P463-D549 HydrophobicContact CG-CB 4.22Å; P463-S558 WeakPolarHBondContact O-CB 3.34Å; P463-S558 PolarHBondContact O-OG 3.09Å
464	H	93.6	Very high	91.4	Very high	131 Å²	131	65.8 Å²	65.8	61%	0.606	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.7	-173.4	-176.4	-78.2	0	0	0	112.9	P462 A489 T490	P462-H464 PolarHBondContact O-N 3.39Å; H464-A489 VanDerWaalsContact O-CA 3.27Å; H464-A489 WeakPolarHBondContact O-CA 3.11Å; H464-T490 PolarHBondContact N-O 3.33Å; H464-T490 PolarHBondContact O-N 3.35Å
465	F	93.8	Very high	91.4	Very high	9 Å²	9	65.2 Å²	65.2	4%	0.039	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141	173.7	-76.5	-78.1	0	0	0	112.9	R467 Y470 V487 T488 A489 Y502 V545 A547 S558 T560	F465-R467 WeakPolarHBondContact CB-O 3.35Å; F465-R467 PolarHBondContact O-N 3.07Å; F465-R467 VanDerWaalsContact O-N 3.09Å; F465-Y470 HydrophobicContact CD1-CE2 4.34Å; F465-V487 HydrophobicContact CE1-CB 4.17Å; F465-V487 HydrophobicContact CE1-CG2 4.1Å; F465-T488 WeakPolarHBondContact CA-O 3.25Å; F465-A489 HydrophobicContact CD1-CB 3.81Å; F465-A489 HydrophobicContact CD2-CB 4.32Å; F465-A489 HydrophobicContact CE1-CB 4.05Å; F465-A489 HydrophobicContact CG-CB 3.95Å; F465-A489 HydrophobicContact CZ-CB 4.41Å; F465-Y502 HydrophobicContact CE1-CD1 4.07Å; F465-Y502 AromaticContact CE1-CE1 3.86Å; F465-Y502 HydrophobicContact CE1-CE1 3.86Å; F465-Y502 HydrophobicContact CZ-CD1 4.21Å; F465-Y502 HydrophobicContact CZ-CE1 4.32Å; F465-V545 HydrophobicContact CZ-CB 4.43Å; F465-V545 HydrophobicContact CZ-CG1 4.07Å; F465-A547 HydrophobicContact CD2-CB 4.39Å; F465-A547 HydrophobicContact CE1-CB 4.23Å; F465-A547 HydrophobicContact CE2-CB 3.52Å; F465-A547 HydrophobicContact CZ-CB 3.42Å; F465-A547 VanDerWaalsContact CZ-CB 3.42Å; F465-S558 VanDerWaalsContact CD2-OG 3.3Å; F465-S558 WeakPolarHBondContact CD2-OG 3.36Å; F465-T560 HydrophobicContact CD1-CG2 3.62Å; F465-T560 HydrophobicContact CD2-CG2 3.88Å; F465-T560 HydrophobicContact CE1-CG2 3.54Å; F465-T560 HydrophobicContact CE2-CG2 3.8Å; F465-T560 HydrophobicContact CG-CG2 3.79Å; F465-T560 HydrophobicContact CZ-CG2 3.64Å
466	Q	88.1	Confident	91.3	Very high	129 Å²	129	65 Å²	65	60%	0.603	33%	0.329	S	S	*	.	S	Bend	trans	-61.5	-20.6	176.9	-62.7	-174.1	-1.8	0	0	113.8	Y470 T488	Q466-Y470 PolarHBondContact N-OH 2.96Å; Q466-T488 PolarHBondContact N-O 3.32Å; Q466-T488 PolarHBondContact NE2-OG1 3.49Å
467	R	88.8	Confident	91.1	Very high	150 Å²	150	67 Å²	67	57%	0.566	34%	0.341	S	S	*	.			trans	-144	147.4	177	-51.4	-178.5	-172.9	176.1	3	109.3	F465 Y470 T560	F465-R467 WeakPolarHBondContact CB-O 3.35Å; F465-R467 PolarHBondContact O-N 3.07Å; F465-R467 VanDerWaalsContact O-N 3.09Å; R467-Y470 HydrophobicContact CB-CD1 4.43Å; R467-Y470 HydrophobicContact CB-CD2 4.18Å; R467-Y470 HydrophobicContact CB-CE1 4.14Å; R467-Y470 HydrophobicContact CB-CE2 3.84Å; R467-Y470 HydrophobicContact CB-CG 4.46Å; R467-Y470 HydrophobicContact CG-CD1 4.45Å; R467-Y470 HydrophobicContact CG-CE1 4.01Å; R467-Y470 PolarHBondContact N-OH 2.88Å; R467-Y470 WeakPolarHBondContact O-CE2 3.4Å; R467-T560 PolarHBondContact O-OG1 2.79Å
468	S	87.9	Confident	91	Very high	104 Å²	104	66.6 Å²	66.6	73%	0.727	34%	0.338	S	S	*	.	S	Bend	trans	-80.4	-17.6	173.9	52.9	0	0	0	0	113.9	T560 T561	S468-T560 PolarHBondContact O-OG1 3.47Å; S468-T561 PolarHBondContact O-N 3.26Å; S468-T561 VanDerWaalsContact O-N 3.14Å; S468-T561 PolarHBondContact O-OG1 3.45Å
469	R	92.6	Very high	90.9	Very high	118 Å²	118	67.2 Å²	67.2	45%	0.445	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.1	173.9	-175.3	155.3	172.8	-95.5	-9.8	109.1	E471 T561	R469-E471 IonicContact CZ-OE1 3.25Å; R469-E471 IonicContact NH1-OE1 3.06Å; R469-E471 PolarHBondContact NH1-OE1 2.89Å; R469-E471 IonicContact NH2-OE1 2.74Å; R469-E471 PolarHBondContact NH2-OE1 2.86Å; R469-T561 WeakPolarHBondContact CA-O 3.5Å; R469-T561 WeakPolarHBondContact CA-OG1 2.94Å; R469-T561 VanDerWaalsContact CB-OG1 3.24Å; R469-T561 WeakPolarHBondContact CB-OG1 3.42Å; R469-T561 WeakPolarHBondContact CD-OG1 3.37Å; R469-T561 WeakPolarHBondContact CG-OG1 3.1Å
470	Y	92.5	Very high	90.8	Very high	9 Å²	9	70.1 Å²	70.1	4%	0.035	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.1	168.7	-62.5	-104.8	0	0	0	108.9	F465 Q466 R467 F472 V487 T488 T560 T561 V562 V563	F465-Y470 HydrophobicContact CD1-CE2 4.34Å; Q466-Y470 PolarHBondContact N-OH 2.96Å; R467-Y470 HydrophobicContact CB-CD1 4.43Å; R467-Y470 HydrophobicContact CB-CD2 4.18Å; R467-Y470 HydrophobicContact CB-CE1 4.14Å; R467-Y470 HydrophobicContact CB-CE2 3.84Å; R467-Y470 HydrophobicContact CB-CG 4.46Å; R467-Y470 HydrophobicContact CG-CD1 4.45Å; R467-Y470 HydrophobicContact CG-CE1 4.01Å; R467-Y470 PolarHBondContact N-OH 2.88Å; R467-Y470 WeakPolarHBondContact O-CE2 3.4Å; Y470-F472 HydrophobicContact CD1-CE1 4.47Å; Y470-F472 HydrophobicContact CD1-CE2 4.2Å; Y470-F472 AromaticContact CD1-CZ 3.61Å; Y470-F472 HydrophobicContact CD1-CZ 3.61Å; Y470-F472 HydrophobicContact CG-CE2 4.04Å; Y470-F472 AromaticContact CG-CZ 3.94Å; Y470-F472 HydrophobicContact CG-CZ 3.94Å; Y470-V487 HydrophobicContact CD1-CG1 4.29Å; Y470-V487 HydrophobicContact CD2-CG1 3.88Å; Y470-V487 HydrophobicContact CE1-CG1 4.41Å; Y470-V487 HydrophobicContact CE2-CB 4.33Å; Y470-V487 HydrophobicContact CE2-CG1 4.04Å; Y470-V487 HydrophobicContact CG-CG1 4.03Å; Y470-T488 PolarHBondContact OH-O 3.25Å; Y470-T560 HydrophobicContact CD2-CG2 4.1Å; Y470-T560 WeakPolarHBondContact CD2-OG1 3.23Å; Y470-T560 HydrophobicContact CE2-CG2 3.98Å; Y470-T561 PolarHBondContact N-O 3.09Å; Y470-V562 WeakPolarHBondContact O-CA 3.19Å; Y470-V563 PolarHBondContact O-N 3.05Å
471	E	93.3	Very high	90.8	Very high	124 Å²	124	67.8 Å²	67.8	58%	0.579	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.1	173.1	-64.8	-179.5	142.2	0	0	107.6	R469 V563	R469-E471 IonicContact CZ-OE1 3.25Å; R469-E471 IonicContact NH1-OE1 3.06Å; R469-E471 PolarHBondContact NH1-OE1 2.89Å; R469-E471 IonicContact NH2-OE1 2.74Å; R469-E471 PolarHBondContact NH2-OE1 2.86Å; E471-V563 WeakPolarHBondContact CA-O 3.43Å; E471-V563 HydrophobicContact CG-CB 4.48Å
472	F	90.8	Very high	90.8	Very high	39 Å²	39	66.5 Å²	66.5	17%	0.171	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.3	-179.4	-58.8	-64.5	0	0	0	110.1	Y470 T485 V487 V562 V563 L564 T565	Y470-F472 HydrophobicContact CD1-CE1 4.47Å; Y470-F472 HydrophobicContact CD1-CE2 4.2Å; Y470-F472 AromaticContact CD1-CZ 3.61Å; Y470-F472 HydrophobicContact CD1-CZ 3.61Å; Y470-F472 HydrophobicContact CG-CE2 4.04Å; Y470-F472 AromaticContact CG-CZ 3.94Å; Y470-F472 HydrophobicContact CG-CZ 3.94Å; F472-T485 HydrophobicContact CD1-CG2 4.4Å; F472-T485 WeakPolarHBondContact CD1-OG1 3.3Å; F472-T485 HydrophobicContact CD2-CG2 3.55Å; F472-T485 HydrophobicContact CE1-CG2 4.27Å; F472-T485 WeakPolarHBondContact CE1-OG1 3.5Å; F472-T485 HydrophobicContact CE2-CG2 3.35Å; F472-T485 HydrophobicContact CG-CG2 4.06Å; F472-T485 HydrophobicContact CZ-CG2 3.74Å; F472-T485 WeakPolarHBondContact CZ-OG1 3.43Å; F472-V487 HydrophobicContact CE2-CG1 4.29Å; F472-V562 HydrophobicContact CD2-CG1 3.8Å; F472-V562 HydrophobicContact CE2-CG1 4.02Å; F472-V563 PolarHBondContact N-O 3.28Å; F472-L564 HydrophobicContact CB-CD1 4.32Å; F472-T565 PolarHBondContact O-N 3.37Å
473	V	91.5	Very high	90.8	Very high	94 Å²	94	69.3 Å²	69.3	57%	0.57	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.5	-176.3	-164.6	0	0	0	0	109.1	T565 I567	V473-T565 VanDerWaalsContact CA-O 3.31Å; V473-T565 WeakPolarHBondContact CA-O 3.34Å; V473-I567 HydrophobicContact CG1-CD1 3.4Å; V473-I567 HydrophobicContact CG1-CG1 3.49Å; V473-I567 VanDerWaalsContact CG1-CG1 3.49Å
474	I	91.6	Very high	90.7	Very high	26 Å²	26	70.7 Å²	70.7	13%	0.133	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.1	177.7	-161.5	176.3	0	0	0	108	N478 I484 F533 L564 T565 I566 I567	I474-N478 HydrophobicContact CD1-CB 4.11Å; I474-I484 HydrophobicContact CD1-CG1 4.3Å; I474-F533 HydrophobicContact CD1-CD2 4.35Å; I474-F533 HydrophobicContact CD1-CE2 4.26Å; I474-F533 HydrophobicContact CG2-CD2 3.96Å; I474-F533 HydrophobicContact CG2-CE2 4.33Å; I474-L564 HydrophobicContact CB-CD1 4.08Å; I474-L564 HydrophobicContact CG2-CD1 3.72Å; I474-L564 HydrophobicContact CG2-CD2 4.38Å; I474-L564 HydrophobicContact CG2-CG 4.18Å; I474-T565 PolarHBondContact N-O 3.36Å; I474-T565 VanDerWaalsContact N-O 3.09Å; I474-I566 HydrophobicContact CG2-CG1 3.88Å; I474-I566 CarbonylContact O-C 3.59Å; I474-I566 WeakPolarHBondContact O-CA 3.21Å; I474-I567 PolarHBondContact O-N 3.3Å
475	S	90	Very high	90.6	Very high	49 Å²	49	65.1 Å²	65.1	34%	0.343	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	151.4	163	-61.3	0	0	0	0	109.8	E569	S475-E569 WeakPolarHBondContact CB-OE1 3.47Å; S475-E569 PolarHBondContact OG-OE1 2.92Å
476	E	89.6	Confident	90.5	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.028	37%	0.365	C	S	.	.	S	Bend	trans	-62.8	-174.7	162.2	69.1	179.5	179.9	0	0	112.4	N478 F533 H535 I566 I567 E569	E476-N478 PolarHBondContact O-N 3.1Å; E476-F533 WeakPolarHBondContact CB-O 3.22Å; E476-H535 WeakPolarHBondContact OE2-CB 3.25Å; E476-H535 PolarHBondContact OE2-N 3.16Å; E476-I566 HydrophobicContact CB-CG2 3.72Å; E476-I567 WeakPolarHBondContact CG-O 3.48Å; E476-I567 PolarHBondContact N-O 2.95Å; E476-E569 HydrophobicContact CG-CB 4.12Å; E476-E569 HydrophobicContact CG-CG 3.97Å; E476-E569 WeakPolarHBondContact OE1-CA 3.4Å; E476-E569 WeakPolarHBondContact OE1-CB 3.49Å; E476-E569 PolarHBondContact OE1-N 3.46Å
477	N	87.9	Confident	90.8	Very high	93 Å²	93	61.4 Å²	61.4	50%	0.497	34%	0.336	S	S	.	.	S	Bend	trans	56.1	21.2	178.3	-87.3	-63.7	0	0	0	113.6	F533 D571	N477-F533 PolarHBondContact N-O 2.93Å; N477-D571 PolarHBondContact ND2-OD2 3.07Å
478	N	89.2	Confident	91	Very high	16 Å²	16	56.3 Å²	56.3	9%	0.086	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65.6	153.3	-178.8	70.4	-83.8	0	0	0	112.3	I474 E476 A529 R531 I532 F533	I474-N478 HydrophobicContact CD1-CB 4.11Å; E476-N478 PolarHBondContact O-N 3.1Å; N478-A529 WeakPolarHBondContact ND2-CB 3.43Å; N478-R531 PolarHBondContact ND2-O 3.27Å; N478-I532 WeakPolarHBondContact O-CG1 3.24Å; N478-F533 WeakPolarHBondContact OD1-CB 3.41Å; N478-F533 WeakPolarHBondContact OD1-CD2 3.24Å; N478-F533 WeakPolarHBondContact OD1-CG 3.48Å; N478-F533 PolarHBondContact OD1-N 3.45Å
479	S	89.4	Confident	91.3	Very high	78 Å²	78	51.8 Å²	51.8	55%	0.545	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-67.5	140.5	172.2	54.2	0	0	0	0	111.8	G481 A482	S479-G481 PolarHBondContact O-N 3.06Å; S479-A482 WeakPolarHBondContact O-CB 3.36Å; S479-A482 PolarHBondContact O-N 3.19Å
480	P	89.5	Confident	91.3	Very high	85 Å²	85	50.2 Å²	50.2	55%	0.552	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	134.8	165.9	-22.5	34.7	0	0	0	110.2	I532	P480-I532 HydrophobicContact CG-CD1 4.47Å; P480-I532 HydrophobicContact CG-CG1 3.83Å
481	G	89	Confident	91.4	Very high	50 Å²	50	51 Å²	51	52%	0.515	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	3.8	-170.5	0	0	0	0	0	114.6	S479 Y483 A529	S479-G481 PolarHBondContact O-N 3.06Å; G481-Y483 PolarHBondContact O-N 3.03Å; G481-A529 VanDerWaalsContact CA-O 3.26Å; G481-A529 WeakPolarHBondContact CA-O 3.41Å; G481-A529 PolarHBondContact N-O 3.21Å
482	A	90.8	Very high	91.4	Very high	20 Å²	20	48.1 Å²	48.1	17%	0.165	29%	0.291	C	S	.	.			trans	-59.5	133.2	176.2	0	0	0	0	0	111.8	S479 Y528 A529	S479-A482 WeakPolarHBondContact O-CB 3.36Å; S479-A482 PolarHBondContact O-N 3.19Å; A482-Y528 CarbonylContact O-C 3.52Å; A482-Y528 VanDerWaalsContact O-CA 3.25Å; A482-Y528 WeakPolarHBondContact O-CA 3.4Å; A482-A529 HydrophobicContact CB-CB 4.45Å; A482-A529 PolarHBondContact O-N 3.1Å
483	Y	93.1	Very high	91.5	Very high	125 Å²	125	46.8 Å²	46.8	49%	0.49	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	129.3	167.6	170.5	-93.4	0	0	0	109.8	G481 T485 T486 A526 Y528	G481-Y483 PolarHBondContact O-N 3.03Å; Y483-T485 WeakPolarHBondContact CE2-O 3.39Å; Y483-T485 VanDerWaalsContact CZ-C 3.43Å; Y483-T486 HydrophobicContact CE2-CG2 4.1Å; Y483-T486 PolarHBondContact OH-N 2.7Å; Y483-T486 PolarHBondContact OH-OG1 3.45Å; Y483-A526 HydrophobicContact CD2-CB 4.29Å; Y483-A526 HydrophobicContact CE2-CB 3.97Å; Y483-Y528 HydrophobicContact CD2-CE1 4Å
484	I	91.6	Very high	91.5	Very high	30 Å²	30	47.4 Å²	47.4	15%	0.154	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-54.5	176.9	-50.4	-175.2	0	0	0	109.7	I474 V518 I527 A529 F533 L564	I474-I484 HydrophobicContact CD1-CG1 4.3Å; I484-V518 HydrophobicContact CD1-CG1 3.71Å; I484-I527 WeakPolarHBondContact CB-O 3.37Å; I484-I527 HydrophobicContact CD1-CG2 4.24Å; I484-I527 PolarHBondContact N-O 3.33Å; I484-A529 HydrophobicContact CD1-CB 4.02Å; I484-A529 HydrophobicContact CG1-CB 4.23Å; I484-F533 HydrophobicContact CD1-CE2 4.2Å; I484-F533 HydrophobicContact CD1-CZ 4.37Å; I484-L564 HydrophobicContact CD1-CD2 3.86Å; I484-L564 HydrophobicContact CG2-CD1 3.71Å
485	T	90.8	Very high	91.4	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.086	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	174.5	-167.3	-167.8	0	0	0	0	111.9	F472 Y483 A526 I527	F472-T485 HydrophobicContact CD1-CG2 4.4Å; F472-T485 WeakPolarHBondContact CD1-OG1 3.3Å; F472-T485 HydrophobicContact CD2-CG2 3.55Å; F472-T485 HydrophobicContact CE1-CG2 4.27Å; F472-T485 WeakPolarHBondContact CE1-OG1 3.5Å; F472-T485 HydrophobicContact CE2-CG2 3.35Å; F472-T485 HydrophobicContact CG-CG2 4.06Å; F472-T485 HydrophobicContact CZ-CG2 3.74Å; F472-T485 WeakPolarHBondContact CZ-OG1 3.43Å; Y483-T485 WeakPolarHBondContact CE2-O 3.39Å; Y483-T485 VanDerWaalsContact CZ-C 3.43Å; T485-A526 CarbonylContact O-C 3.51Å; T485-A526 WeakPolarHBondContact O-CA 3.5Å; T485-I527 HydrophobicContact CG2-CB 4.13Å; T485-I527 HydrophobicContact CG2-CD1 3.94Å; T485-I527 HydrophobicContact CG2-CG1 4.29Å; T485-I527 PolarHBondContact O-N 3.36Å
486	T	93.1	Very high	91.3	Very high	60 Å²	60	53 Å²	53	37%	0.368	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.9	165.6	39	0	0	0	0	110.6	Y483 G525 A526	Y483-T486 HydrophobicContact CE2-CG2 4.1Å; Y483-T486 PolarHBondContact OH-N 2.7Å; Y483-T486 PolarHBondContact OH-OG1 3.45Å; T486-G525 WeakPolarHBondContact CA-O 3.49Å; T486-A526 HydrophobicContact CG2-CB 3.83Å
487	V	93.9	Very high	91.3	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.326	C	S	.	.			trans	-105.1	142.7	162.3	-67.2	0	0	0	0	109.3	F465 Y470 F472 Y502 I520 G525 I527 V545 V562	F465-V487 HydrophobicContact CE1-CB 4.17Å; F465-V487 HydrophobicContact CE1-CG2 4.1Å; Y470-V487 HydrophobicContact CD1-CG1 4.29Å; Y470-V487 HydrophobicContact CD2-CG1 3.88Å; Y470-V487 HydrophobicContact CE1-CG1 4.41Å; Y470-V487 HydrophobicContact CE2-CB 4.33Å; Y470-V487 HydrophobicContact CE2-CG1 4.04Å; Y470-V487 HydrophobicContact CG-CG1 4.03Å; F472-V487 HydrophobicContact CE2-CG1 4.29Å; V487-Y502 HydrophobicContact CG2-CD1 4.49Å; V487-I520 HydrophobicContact CG2-CD1 3.86Å; V487-G525 PolarHBondContact N-O 3.21Å; V487-I527 HydrophobicContact CG1-CD1 4.12Å; V487-I527 HydrophobicContact CG2-CD1 4.24Å; V487-V545 HydrophobicContact CG2-CB 4.43Å; V487-V545 HydrophobicContact CG2-CG1 4Å; V487-V545 HydrophobicContact CG2-CG2 4.4Å; V487-V562 HydrophobicContact CG1-CG2 3.97Å
488	T	93.3	Very high	91.4	Very high	43 Å²	43	50.6 Å²	50.6	26%	0.264	31%	0.313	S	S	.	.			trans	-130.8	128.8	-175.9	51.3	0	0	0	0	111.1	F465 Q466 Y470	F465-T488 WeakPolarHBondContact CA-O 3.25Å; Q466-T488 PolarHBondContact N-O 3.32Å; Q466-T488 PolarHBondContact NE2-OG1 3.49Å; Y470-T488 PolarHBondContact OH-O 3.25Å
489	A	93.8	Very high	91.5	Very high	8 Å²	8	55.3 Å²	55.3	7%	0.066	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.7	165	0	0	0	0	0	109.6	P463 H464 F465 V500 Y502 A547	P463-A489 HydrophobicContact CB-CB 4.35Å; H464-A489 VanDerWaalsContact O-CA 3.27Å; H464-A489 WeakPolarHBondContact O-CA 3.11Å; F465-A489 HydrophobicContact CD1-CB 3.81Å; F465-A489 HydrophobicContact CD2-CB 4.32Å; F465-A489 HydrophobicContact CE1-CB 4.05Å; F465-A489 HydrophobicContact CG-CB 3.95Å; F465-A489 HydrophobicContact CZ-CB 4.41Å; A489-V500 HydrophobicContact CB-CG1 4.18Å; A489-Y502 HydrophobicContact CB-CE1 4.06Å; A489-Y502 PolarHBondContact N-OH 2.89Å; A489-Y502 PolarHBondContact O-OH 2.91Å; A489-A547 HydrophobicContact CB-CB 3.78Å
490	T	93	Very high	91.7	Very high	86 Å²	86	52.8 Å²	52.8	53%	0.528	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.4	177.7	50.4	0	0	0	0	108.9	H464	H464-T490 PolarHBondContact N-O 3.33Å; H464-T490 PolarHBondContact O-N 3.35Å
491	D	94.5	Very high	91.9	Very high	24 Å²	24	50.4 Å²	50.4	13%	0.128	30%	0.299	C	S	.	.			trans	-113.9	136.1	175.6	-159.6	-66.3	0	0	0	108.5	P462 P463 D493 V500	P462-D491 VanDerWaalsContact C-OD2 3.31Å; P463-D491 VanDerWaalsContact CA-OD2 3.26Å; P463-D491 WeakPolarHBondContact CA-OD2 3.26Å; P463-D491 HydrophobicContact CB-CB 4.49Å; P463-D491 WeakPolarHBondContact CD-OD2 3.3Å; P463-D491 VanDerWaalsContact CG-OD2 3.25Å; P463-D491 WeakPolarHBondContact CG-OD2 3.35Å; D491-D493 WeakPolarHBondContact OD1-CB 3.34Å; D491-D493 PolarHBondContact OD1-N 3.44Å; D491-V500 HydrophobicContact CB-CG2 3.77Å
492	P	92.4	Very high	92.2	Very high	65 Å²	65	48.7 Å²	48.7	42%	0.422	28%	0.277	S	S	.	.			trans	-83.3	-16.9	179.8	35.2	-36.2	0	0	0	113.8	R425 E426 N461	R425-P492 PolarHBondContact NH2-O 2.77Å; E426-P492 HydrophobicContact CG-CB 3.86Å; E426-P492 HydrophobicContact CG-CG 4.16Å; N461-P492 HydrophobicContact CB-CG 3.44Å; N461-P492 VanDerWaalsContact CB-CG 3.44Å
493	D	93.6	Very high	92.4	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.053	28%	0.282	C	S	.	.	S	Bend	trans	-71.1	169.9	-172.4	-63.6	4.1	0	0	0	111.4	N459 D460 N461 D491 N497 G498	N459-D493 WeakPolarHBondContact CA-OD2 3.28Å; D460-D493 PolarHBondContact N-OD2 3.12Å; N461-D493 WeakPolarHBondContact CB-OD1 3.27Å; N461-D493 PolarHBondContact N-OD2 2.77Å; N461-D493 VanDerWaalsContact N-OD2 3.07Å; N461-D493 PolarHBondContact ND2-OD1 3.28Å; D491-D493 WeakPolarHBondContact OD1-CB 3.34Å; D491-D493 PolarHBondContact OD1-N 3.44Å; D493-N497 HydrophobicContact CB-CB 3.8Å; D493-G498 WeakPolarHBondContact O-CA 3.09Å; D493-G498 PolarHBondContact O-N 2.82Å
494	L	90.9	Very high	92.4	Very high	107 Å²	107	45 Å²	45	56%	0.56	27%	0.265	S	S	*	.			trans	-102.5	135.1	-167.1	-165.3	63.1	0	0	0	113.9	D457 E496 N497	D457-L494 HydrophobicContact CB-CB 3.86Å; D457-L494 VanDerWaalsContact CG-CB 3.49Å; D457-L494 VanDerWaalsContact CG-N 3.29Å; D457-L494 WeakPolarHBondContact OD1-CA 3.19Å; D457-L494 WeakPolarHBondContact OD1-CB 3.49Å; D457-L494 PolarHBondContact OD1-N 3.41Å; D457-L494 PolarHBondContact OD2-N 3.39Å; L494-E496 PolarHBondContact O-N 3.37Å; L494-N497 PolarHBondContact O-N 3.33Å
495	G	89.2	Confident	92.5	Very high	56 Å²	56	46.4 Å²	46.4	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	-121.3	170.4	0	0	0	0	0	112.2	N497 Q499	G495-N497 VanDerWaalsContact C-N 3.31Å; G495-Q499 WeakPolarHBondContact O-CB 3.2Å; G495-Q499 PolarHBondContact O-N 3.14Å
496	E	88.9	Confident	92.4	Very high	136 Å²	136	50.8 Å²	50.8	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-28.5	179.2	-63.9	-174.4	157.4	0	0	112.1	L494 Q499 G550	L494-E496 PolarHBondContact O-N 3.37Å; E496-Q499 WeakPolarHBondContact O-CB 3.32Å; E496-Q499 PolarHBondContact O-N 2.67Å; E496-G550 CarbonylContact O-C 3.56Å; E496-G550 WeakPolarHBondContact O-CA 3.14Å; E496-G550 PolarHBondContact O-N 3.38Å
497	N	89.3	Confident	92.2	Very high	29 Å²	29	49.5 Å²	49.5	16%	0.155	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-48.4	175.3	-64.1	-11.9	0	0	0	110.1	D457 N459 D493 L494 G495 Q499 D549	D457-N497 WeakPolarHBondContact OD2-CB 3.28Å; D457-N497 PolarHBondContact OD2-ND2 3.39Å; N459-N497 HydrophobicContact CB-CB 4Å; N459-N497 PolarHBondContact N-ND2 2.84Å; N459-N497 WeakPolarHBondContact OD1-CA 3.34Å; N459-N497 WeakPolarHBondContact OD1-CB 3.34Å; N459-N497 PolarHBondContact OD1-OD1 2.75Å; D493-N497 HydrophobicContact CB-CB 3.8Å; L494-N497 PolarHBondContact O-N 3.33Å; G495-N497 VanDerWaalsContact C-N 3.31Å; N497-Q499 PolarHBondContact O-N 2.7Å; N497-D549 WeakPolarHBondContact O-CB 3.34Å
498	G	89.6	Confident	91.9	Very high	21 Å²	21	56.5 Å²	56.5	22%	0.216	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-1.2	170.7	0	0	0	0	0	116	D493 V500	D493-G498 WeakPolarHBondContact O-CA 3.09Å; D493-G498 PolarHBondContact O-N 2.82Å; G498-V500 PolarHBondContact O-N 3.16Å; G498-V500 VanDerWaalsContact O-N 3.1Å
499	Q	91.9	Very high	91.4	Very high	115 Å²	115	55.7 Å²	55.7	54%	0.537	31%	0.309	S	S	.	.			trans	-86	86	-171.8	-168	173.5	0.7	0	0	112.6	G495 E496 N497 T501 D549 G550	G495-Q499 WeakPolarHBondContact O-CB 3.2Å; G495-Q499 PolarHBondContact O-N 3.14Å; E496-Q499 WeakPolarHBondContact O-CB 3.32Å; E496-Q499 PolarHBondContact O-N 2.67Å; N497-Q499 PolarHBondContact O-N 2.7Å; Q499-T501 PolarHBondContact O-N 3.14Å; Q499-D549 CarbonylContact O-C 3.57Å; Q499-G550 PolarHBondContact O-N 2.99Å
500	V	93.1	Very high	90.7	Very high	24 Å²	24	61 Å²	61	15%	0.145	34%	0.336	C	S	.	.			trans	-59.9	128.8	174.4	-172.5	0	0	0	0	112.3	P463 A489 D491 G498 Y502 A547 R548	P463-V500 HydrophobicContact CB-CG1 4.3Å; P463-V500 HydrophobicContact CB-CG2 4.01Å; P463-V500 HydrophobicContact CG-CG2 4.38Å; A489-V500 HydrophobicContact CB-CG1 4.18Å; D491-V500 HydrophobicContact CB-CG2 3.77Å; G498-V500 PolarHBondContact O-N 3.16Å; G498-V500 VanDerWaalsContact O-N 3.1Å; V500-Y502 HydrophobicContact CG1-CD1 4.49Å; V500-Y502 HydrophobicContact CG1-CD2 4.5Å; V500-Y502 HydrophobicContact CG1-CE1 3.96Å; V500-Y502 HydrophobicContact CG1-CE2 3.95Å; V500-A547 HydrophobicContact CG1-CB 3.89Å; V500-R548 CarbonylContact C-O 3.51Å; V500-R548 WeakPolarHBondContact CA-O 3.11Å
501	T	93.9	Very high	90	Very high	35 Å²	35	60.1 Å²	60.1	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.6	165.1	68.4	0	0	0	0	111.5	Q499 P522 R548	Q499-T501 PolarHBondContact O-N 3.14Å; T501-P522 VanDerWaalsContact CA-O 3.28Å; T501-P522 WeakPolarHBondContact CA-O 3.42Å; T501-R548 PolarHBondContact N-O 2.97Å; T501-R548 PolarHBondContact O-N 2.9Å; T501-R548 WeakPolarHBondContact OG1-CG 3.18Å; T501-R548 PolarHBondContact OG1-NE 2.86Å; T501-R548 PolarHBondContact OG1-NH2 3.22Å
502	Y	95.1	Very high	89.5	Confident	15 Å²	15	61 Å²	61	6%	0.059	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.4	-173.1	-56.2	-89.9	0	0	0	113	F465 V487 A489 V500 I520 P522 E546 A547	F465-Y502 HydrophobicContact CE1-CD1 4.07Å; F465-Y502 AromaticContact CE1-CE1 3.86Å; F465-Y502 HydrophobicContact CE1-CE1 3.86Å; F465-Y502 HydrophobicContact CZ-CD1 4.21Å; F465-Y502 HydrophobicContact CZ-CE1 4.32Å; V487-Y502 HydrophobicContact CG2-CD1 4.49Å; A489-Y502 HydrophobicContact CB-CE1 4.06Å; A489-Y502 PolarHBondContact N-OH 2.89Å; A489-Y502 PolarHBondContact O-OH 2.91Å; V500-Y502 HydrophobicContact CG1-CD1 4.49Å; V500-Y502 HydrophobicContact CG1-CD2 4.5Å; V500-Y502 HydrophobicContact CG1-CE1 3.96Å; V500-Y502 HydrophobicContact CG1-CE2 3.95Å; Y502-I520 HydrophobicContact CG-CD1 4.46Å; Y502-P522 PolarHBondContact N-O 3.04Å; Y502-P522 WeakPolarHBondContact O-CA 3.33Å; Y502-P522 WeakPolarHBondContact O-CB 3.46Å; Y502-E546 WeakPolarHBondContact CA-O 3.15Å; Y502-A547 HydrophobicContact CD1-CB 4.13Å; Y502-A547 HydrophobicContact CE1-CB 4.2Å
503	T	94.8	Very high	89.3	Confident	44 Å²	44	58.6 Å²	58.6	27%	0.27	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144.3	171.5	28.4	0	0	0	0	111.7	E546 R548	T503-E546 PolarHBondContact N-O 3.12Å; T503-E546 PolarHBondContact O-N 2.67Å; T503-R548 PolarHBondContact OG1-NH1 2.91Å
504	I	94.4	Very high	89.2	Confident	23 Å²	23	58.1 Å²	58.1	12%	0.118	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.3	169.3	-67.9	158.2	0	0	0	108.5	I514 V518 I520 F543 V545	I504-I514 HydrophobicContact CG2-CG1 3.91Å; I504-I514 HydrophobicContact CG2-CG2 3.71Å; I504-V518 HydrophobicContact CD1-CB 4.48Å; I504-V518 HydrophobicContact CD1-CG2 3.99Å; I504-I520 HydrophobicContact CD1-CB 3.89Å; I504-I520 HydrophobicContact CD1-CG2 4.01Å; I504-I520 HydrophobicContact CG1-CB 4.06Å; I504-I520 HydrophobicContact CG1-CG2 3.83Å; I504-F543 HydrophobicContact CD1-CD2 4.5Å; I504-F543 HydrophobicContact CD1-CE2 4.22Å; I504-F543 HydrophobicContact CG1-CD2 4.1Å; I504-F543 HydrophobicContact CG1-CE2 4.08Å; I504-F543 HydrophobicContact CG2-CD2 3.99Å; I504-V545 HydrophobicContact CG1-CG2 4.18Å
505	L	92.3	Very high	89.1	Confident	59 Å²	59	56.4 Å²	56.4	31%	0.309	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-78.4	135.4	174.5	-67	-176.9	0	0	0	111.3	S507 V544 E546	L505-S507 PolarHBondContact O-N 3.19Å; L505-S507 PolarHBondContact O-OG 2.56Å; L505-S507 VanDerWaalsContact O-OG 3.09Å; L505-V544 HydrophobicContact CB-CB 4.32Å; L505-V544 HydrophobicContact CD1-CB 4.26Å; L505-V544 HydrophobicContact CD1-CG1 3.85Å; L505-V544 HydrophobicContact CG-CG1 4.46Å; L505-V544 PolarHBondContact N-O 2.84Å; L505-E546 HydrophobicContact CD1-CB 4.45Å; L505-E546 HydrophobicContact CD2-CB 3.93Å; L505-E546 HydrophobicContact CG-CB 4Å
506	E	89.8	Confident	89.1	Confident	106 Å²	106	56.1 Å²	56.1	50%	0.495	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-59.4	119.5	-176.3	-176.4	61.6	-170.6	0	0	111.5	F508 S513 T515	E506-F508 HydrophobicContact CG-CE2 4.45Å; E506-S513 WeakPolarHBondContact OE1-CB 3.13Å; E506-S513 PolarHBondContact OE1-OG 2.91Å; E506-S513 PolarHBondContact OE2-OG 3.26Å; E506-T515 WeakPolarHBondContact OE2-CG2 3.31Å
507	S	88.3	Confident	89.1	Confident	33 Å²	33	49.9 Å²	49.9	23%	0.231	29%	0.286	C	S	.	.			trans	-147.6	155.2	-176.7	42.5	0	0	0	0	109.8	L505 I514	L505-S507 PolarHBondContact O-N 3.19Å; L505-S507 PolarHBondContact O-OG 2.56Å; L505-S507 VanDerWaalsContact O-OG 3.09Å; S507-I514 WeakPolarHBondContact O-CB 3.46Å; S507-I514 WeakPolarHBondContact O-CG2 3.15Å; S507-I514 PolarHBondContact O-N 2.78Å; S507-I514 WeakPolarHBondContact OG-CG2 3.47Å
508	F	86.9	Confident	89.3	Confident	148 Å²	148	48.6 Å²	48.6	65%	0.649	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.9	-171.1	-66.8	-86	0	0	0	112	E506 S512	E506-F508 HydrophobicContact CG-CE2 4.45Å; F508-S512 CarbonylContact C-O 3.51Å; F508-S512 WeakPolarHBondContact CA-O 2.94Å
509	I	83.3	Confident	89.5	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.128	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.5	177.5	-61.9	178.1	0	0	0	107.3	G511 S512 I514 Y517 V538 I541	I509-G511 PolarHBondContact O-N 3.26Å; I509-S512 PolarHBondContact N-O 2.72Å; I509-S512 PolarHBondContact O-N 3.49Å; I509-S512 VanDerWaalsContact O-O 3.13Å; I509-I514 HydrophobicContact CD1-CD1 3.82Å; I509-Y517 HydrophobicContact CB-CE2 4.11Å; I509-Y517 HydrophobicContact CG2-CE2 4.4Å; I509-V538 HydrophobicContact CG2-CG1 4.3Å; I509-V538 HydrophobicContact CG2-CG2 4.33Å; I509-I541 HydrophobicContact CD1-CB 4.2Å; I509-I541 HydrophobicContact CD1-CG1 4.3Å; I509-I541 HydrophobicContact CD1-CG2 3.66Å
510	L	79.5	Confident	89.7	Confident	121 Å²	121	45.8 Å²	45.8	63%	0.634	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	29.3	-171.6	-58.9	-173.9	0	0	0	115	S512 E537 V538	L510-S512 VanDerWaalsContact C-N 3.31Å; L510-S512 PolarHBondContact O-N 3.42Å; L510-E537 HydrophobicContact CD1-CG 3.72Å; L510-E537 WeakPolarHBondContact CD1-O 3.2Å; L510-V538 HydrophobicContact CD1-CG2 3.56Å; L510-V538 HydrophobicContact CG-CG2 4.14Å
511	G	78.3	Confident	89.8	Confident	67 Å²	67	46.8 Å²	46.8	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-4.2	-177.8	0	0	0	0	0	115.4	I509	I509-G511 PolarHBondContact O-N 3.26Å
512	S	84.4	Confident	89.8	Confident	41 Å²	41	48.4 Å²	48.4	29%	0.287	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	151.3	168.3	-71.2	0	0	0	0	111.1	F508 I509 L510	F508-S512 CarbonylContact C-O 3.51Å; F508-S512 WeakPolarHBondContact CA-O 2.94Å; I509-S512 PolarHBondContact N-O 2.72Å; I509-S512 PolarHBondContact O-N 3.49Å; I509-S512 VanDerWaalsContact O-O 3.13Å; L510-S512 VanDerWaalsContact C-N 3.31Å; L510-S512 PolarHBondContact O-N 3.42Å
513	S	88.9	Confident	89.6	Confident	16 Å²	16	51.9 Å²	51.9	11%	0.112	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.8	173.7	169.9	0	0	0	0	111.5	E506 T515 T516	E506-S513 WeakPolarHBondContact OE1-CB 3.13Å; E506-S513 PolarHBondContact OE1-OG 2.91Å; E506-S513 PolarHBondContact OE2-OG 3.26Å; S513-T515 PolarHBondContact O-N 3.02Å; S513-T515 PolarHBondContact OG-N 2.98Å; S513-T515 PolarHBondContact OG-OG1 2.77Å; S513-T516 WeakPolarHBondContact O-CB 3.46Å; S513-T516 PolarHBondContact O-N 2.85Å; S513-T516 PolarHBondContact O-OG1 3.31Å
514	I	90.5	Very high	89.5	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-51.8	-36.2	172.3	-172.8	62.8	0	0	0	112.5	I504 S507 I509 T516 Y517 V518 I541 F543	I504-I514 HydrophobicContact CG2-CG1 3.91Å; I504-I514 HydrophobicContact CG2-CG2 3.71Å; S507-I514 WeakPolarHBondContact O-CB 3.46Å; S507-I514 WeakPolarHBondContact O-CG2 3.15Å; S507-I514 PolarHBondContact O-N 2.78Å; S507-I514 WeakPolarHBondContact OG-CG2 3.47Å; I509-I514 HydrophobicContact CD1-CD1 3.82Å; I514-T516 PolarHBondContact O-N 3.4Å; I514-Y517 PolarHBondContact O-N 2.88Å; I514-V518 HydrophobicContact CD1-CG2 3.6Å; I514-V518 HydrophobicContact CG1-CG2 3.73Å; I514-V518 PolarHBondContact O-N 3.5Å; I514-I541 HydrophobicContact CD1-CG2 3.88Å; I514-F543 HydrophobicContact CD1-CB 3.7Å; I514-F543 HydrophobicContact CD1-CD1 3.89Å; I514-F543 HydrophobicContact CD1-CG 3.89Å; I514-F543 HydrophobicContact CG1-CB 3.68Å; I514-F543 HydrophobicContact CG1-CG 4.04Å
515	T	88.4	Confident	89.4	Confident	71 Å²	71	52 Å²	52	44%	0.436	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-66.3	-8.3	179.3	63.8	0	0	0	0	113.4	E506 S513 L530	E506-T515 WeakPolarHBondContact OE2-CG2 3.31Å; S513-T515 PolarHBondContact O-N 3.02Å; S513-T515 PolarHBondContact OG-N 2.98Å; S513-T515 PolarHBondContact OG-OG1 2.77Å; T515-L530 VanDerWaalsContact O-CD1 3.24Å; T515-L530 WeakPolarHBondContact O-CD1 3.42Å
516	T	88.8	Confident	89.5	Confident	50 Å²	50	49.3 Å²	49.3	31%	0.307	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-95.7	-11.8	171.8	75.1	0	0	0	0	113.6	S513 I514 R531	S513-T516 WeakPolarHBondContact O-CB 3.46Å; S513-T516 PolarHBondContact O-N 2.85Å; S513-T516 PolarHBondContact O-OG1 3.31Å; I514-T516 PolarHBondContact O-N 3.4Å; T516-R531 WeakPolarHBondContact O-CD 3.46Å; T516-R531 VanDerWaalsContact O-CG 3.27Å; T516-R531 WeakPolarHBondContact O-CG 3.38Å; T516-R531 PolarHBondContact O-NE 3.43Å; T516-R531 PolarHBondContact OG1-NH2 2.62Å
517	Y	89.9	Confident	89.7	Confident	5 Å²	5	44.3 Å²	44.3	2%	0.02	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-41.9	176.3	-70.5	-83.2	0	0	0	111.8	I509 I514 L530 F533 I541	I509-Y517 HydrophobicContact CB-CE2 4.11Å; I509-Y517 HydrophobicContact CG2-CE2 4.4Å; I514-Y517 PolarHBondContact O-N 2.88Å; Y517-L530 PolarHBondContact O-N 2.87Å; Y517-F533 HydrophobicContact CD1-CE1 4.18Å; Y517-I541 HydrophobicContact CD1-CD1 4.23Å
518	V	93	Very high	90	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153	-176.4	-71.5	0	0	0	0	111.9	I484 I504 I514 I527 Y528 F533 F543	I484-V518 HydrophobicContact CD1-CG1 3.71Å; I504-V518 HydrophobicContact CD1-CB 4.48Å; I504-V518 HydrophobicContact CD1-CG2 3.99Å; I514-V518 HydrophobicContact CD1-CG2 3.6Å; I514-V518 HydrophobicContact CG1-CG2 3.73Å; I514-V518 PolarHBondContact O-N 3.5Å; V518-I527 HydrophobicContact CB-CG2 4.22Å; V518-I527 HydrophobicContact CG1-CG2 4.4Å; V518-Y528 CarbonylContact C-O 3.57Å; V518-Y528 VanDerWaalsContact CA-O 3.28Å; V518-Y528 WeakPolarHBondContact CA-O 3.3Å; V518-F533 HydrophobicContact CG1-CZ 4.05Å; V518-F543 HydrophobicContact CG2-CE1 4.28Å; V518-F543 HydrophobicContact CG2-CE2 4.37Å; V518-F543 HydrophobicContact CG2-CZ 4.19Å
519	T	94.2	Very high	90.3	Very high	61 Å²	61	39.2 Å²	39.2	37%	0.374	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162	168.6	-171.2	0	0	0	0	110.3	I527 Y528 L530	T519-I527 CarbonylContact O-C 3.59Å; T519-I527 WeakPolarHBondContact O-CA 3.35Å; T519-Y528 HydrophobicContact CG2-CD2 4.48Å; T519-Y528 PolarHBondContact N-O 2.79Å; T519-Y528 PolarHBondContact O-N 2.84Å; T519-L530 HydrophobicContact CG2-CD1 4.43Å; T519-L530 HydrophobicContact CG2-CD2 3.77Å; T519-L530 HydrophobicContact CG2-CG 4.06Å
520	I	95.6	Very high	90.7	Very high	17 Å²	17	42 Å²	42	9%	0.087	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.4	173.9	-166.9	164.3	0	0	0	110.1	V487 Y502 I504 P522 A526 I527 V545	V487-I520 HydrophobicContact CG2-CD1 3.86Å; Y502-I520 HydrophobicContact CG-CD1 4.46Å; I504-I520 HydrophobicContact CD1-CB 3.89Å; I504-I520 HydrophobicContact CD1-CG2 4.01Å; I504-I520 HydrophobicContact CG1-CB 4.06Å; I504-I520 HydrophobicContact CG1-CG2 3.83Å; I520-P522 WeakPolarHBondContact O-CD 3.35Å; I520-A526 CarbonylContact C-O 3.58Å; I520-A526 WeakPolarHBondContact CA-O 3.39Å; I520-I527 HydrophobicContact CB-CG1 4.43Å; I520-I527 HydrophobicContact CD1-CD1 4.4Å; I520-I527 HydrophobicContact CD1-CG1 3.89Å; I520-I527 HydrophobicContact CG1-CG1 4Å; I520-V545 HydrophobicContact CD1-CG1 3.55Å; I520-V545 HydrophobicContact CD1-CG2 4.22Å
521	D	95.1	Very high	91.1	Very high	45 Å²	45	40.4 Å²	40.4	24%	0.241	24%	0.242	C	C	.	.			trans	-73.4	117.2	167.8	-177.2	-35.4	0	0	0	109	S523 N524 G525 A526 Y528	D521-S523 PolarHBondContact O-N 3.01Å; D521-S523 VanDerWaalsContact O-N 3.16Å; D521-S523 WeakPolarHBondContact OD1-CB 3.47Å; D521-S523 PolarHBondContact OD1-N 2.99Å; D521-S523 PolarHBondContact OD1-OG 3.16Å; D521-N524 WeakPolarHBondContact CB-OD1 3.43Å; D521-N524 PolarHBondContact OD1-ND2 3.05Å; D521-N524 PolarHBondContact OD2-ND2 3.43Å; D521-G525 WeakPolarHBondContact O-CA 3.37Å; D521-G525 PolarHBondContact O-N 2.61Å; D521-A526 HydrophobicContact CB-CB 4.34Å; D521-A526 PolarHBondContact N-O 3.33Å; D521-Y528 HydrophobicContact CB-CE2 4.27Å
522	P	94	Very high	91.7	Very high	68 Å²	68	41.8 Å²	41.8	44%	0.442	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.2	-174.4	30.1	-36.7	0	0	0	113.6	T501 Y502 I520	T501-P522 VanDerWaalsContact CA-O 3.28Å; T501-P522 WeakPolarHBondContact CA-O 3.42Å; Y502-P522 PolarHBondContact N-O 3.04Å; Y502-P522 WeakPolarHBondContact O-CA 3.33Å; Y502-P522 WeakPolarHBondContact O-CB 3.46Å; I520-P522 WeakPolarHBondContact O-CD 3.35Å
523	S	91.9	Very high	92	Very high	88 Å²	88	40.2 Å²	40.2	62%	0.615	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-26.3	-176.2	72.2	0	0	0	0	114.5	D521	D521-S523 PolarHBondContact O-N 3.01Å; D521-S523 VanDerWaalsContact O-N 3.16Å; D521-S523 WeakPolarHBondContact OD1-CB 3.47Å; D521-S523 PolarHBondContact OD1-N 2.99Å; D521-S523 PolarHBondContact OD1-OG 3.16Å
524	N	91.9	Very high	92.1	Very high	69 Å²	69	43.1 Å²	43.1	37%	0.369	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-1.8	-172.6	60.4	53.9	0	0	0	114.3	D521 A526	D521-N524 WeakPolarHBondContact CB-OD1 3.43Å; D521-N524 PolarHBondContact OD1-ND2 3.05Å; D521-N524 PolarHBondContact OD2-ND2 3.43Å; N524-A526 VanDerWaalsContact C-N 3.26Å; N524-A526 PolarHBondContact O-N 3.41Å; N524-A526 WeakPolarHBondContact OD1-CB 3.28Å; N524-A526 PolarHBondContact OD1-N 2.84Å
525	G	92.3	Very high	92.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.241	C	C	.	.			trans	73	13	175.2	0	0	0	0	0	114.8	T486 V487 D521 I527	T486-G525 WeakPolarHBondContact CA-O 3.49Å; V487-G525 PolarHBondContact N-O 3.21Å; D521-G525 WeakPolarHBondContact O-CA 3.37Å; D521-G525 PolarHBondContact O-N 2.61Å; G525-I527 PolarHBondContact O-N 2.99Å
526	A	94.6	Very high	92.2	Very high	3 Å²	3	44 Å²	44	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.3	173.9	0	0	0	0	0	111.1	Y483 T485 T486 I520 D521 N524 Y528	Y483-A526 HydrophobicContact CD2-CB 4.29Å; Y483-A526 HydrophobicContact CE2-CB 3.97Å; T485-A526 CarbonylContact O-C 3.51Å; T485-A526 WeakPolarHBondContact O-CA 3.5Å; T486-A526 HydrophobicContact CG2-CB 3.83Å; I520-A526 CarbonylContact C-O 3.58Å; I520-A526 WeakPolarHBondContact CA-O 3.39Å; D521-A526 HydrophobicContact CB-CB 4.34Å; D521-A526 PolarHBondContact N-O 3.33Å; N524-A526 VanDerWaalsContact C-N 3.26Å; N524-A526 PolarHBondContact O-N 3.41Å; N524-A526 WeakPolarHBondContact OD1-CB 3.28Å; N524-A526 PolarHBondContact OD1-N 2.84Å; A526-Y528 HydrophobicContact CB-CD2 4.5Å; A526-Y528 HydrophobicContact CB-CE2 3.57Å; A526-Y528 WeakPolarHBondContact O-CD2 3.09Å; A526-Y528 WeakPolarHBondContact O-CE2 3.4Å
527	I	94.8	Very high	92.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.2	-179.1	-54	176.3	0	0	0	108.7	I484 T485 V487 V518 T519 I520 G525 F543 V545 V562	I484-I527 WeakPolarHBondContact CB-O 3.37Å; I484-I527 HydrophobicContact CD1-CG2 4.24Å; I484-I527 PolarHBondContact N-O 3.33Å; T485-I527 HydrophobicContact CG2-CB 4.13Å; T485-I527 HydrophobicContact CG2-CD1 3.94Å; T485-I527 HydrophobicContact CG2-CG1 4.29Å; T485-I527 PolarHBondContact O-N 3.36Å; V487-I527 HydrophobicContact CG1-CD1 4.12Å; V487-I527 HydrophobicContact CG2-CD1 4.24Å; V518-I527 HydrophobicContact CB-CG2 4.22Å; V518-I527 HydrophobicContact CG1-CG2 4.4Å; T519-I527 CarbonylContact O-C 3.59Å; T519-I527 WeakPolarHBondContact O-CA 3.35Å; I520-I527 HydrophobicContact CB-CG1 4.43Å; I520-I527 HydrophobicContact CD1-CD1 4.4Å; I520-I527 HydrophobicContact CD1-CG1 3.89Å; I520-I527 HydrophobicContact CG1-CG1 4Å; G525-I527 PolarHBondContact O-N 2.99Å; I527-F543 HydrophobicContact CD1-CE2 4.05Å; I527-F543 HydrophobicContact CD1-CZ 4.05Å; I527-F543 HydrophobicContact CG2-CZ 4.13Å; I527-V545 HydrophobicContact CD1-CG2 4.29Å; I527-V562 HydrophobicContact CD1-CG1 4.4Å; I527-V562 HydrophobicContact CD1-CG2 4.38Å
528	Y	93.9	Very high	92.1	Very high	75 Å²	75	47.6 Å²	47.6	29%	0.294	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.2	-178.4	-57.3	-94.7	0	0	0	111.1	A482 Y483 V518 T519 D521 A526	A482-Y528 CarbonylContact O-C 3.52Å; A482-Y528 VanDerWaalsContact O-CA 3.25Å; A482-Y528 WeakPolarHBondContact O-CA 3.4Å; Y483-Y528 HydrophobicContact CD2-CE1 4Å; V518-Y528 CarbonylContact C-O 3.57Å; V518-Y528 VanDerWaalsContact CA-O 3.28Å; V518-Y528 WeakPolarHBondContact CA-O 3.3Å; T519-Y528 HydrophobicContact CG2-CD2 4.48Å; T519-Y528 PolarHBondContact N-O 2.79Å; T519-Y528 PolarHBondContact O-N 2.84Å; D521-Y528 HydrophobicContact CB-CE2 4.27Å; A526-Y528 HydrophobicContact CB-CD2 4.5Å; A526-Y528 HydrophobicContact CB-CE2 3.57Å; A526-Y528 WeakPolarHBondContact O-CD2 3.09Å; A526-Y528 WeakPolarHBondContact O-CE2 3.4Å
529	A	93.3	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129	170.8	0	0	0	0	0	110.1	N478 G481 A482 I484 F533	N478-A529 WeakPolarHBondContact ND2-CB 3.43Å; G481-A529 VanDerWaalsContact CA-O 3.26Å; G481-A529 WeakPolarHBondContact CA-O 3.41Å; G481-A529 PolarHBondContact N-O 3.21Å; A482-A529 HydrophobicContact CB-CB 4.45Å; A482-A529 PolarHBondContact O-N 3.1Å; I484-A529 HydrophobicContact CD1-CB 4.02Å; I484-A529 HydrophobicContact CG1-CB 4.23Å; A529-F533 HydrophobicContact CB-CE2 3.65Å; A529-F533 HydrophobicContact CB-CZ 3.8Å
530	L	90.9	Very high	91.8	Very high	82 Å²	82	52.2 Å²	52.2	43%	0.429	27%	0.272	S	S	.	.	S	Bend	trans	-93.9	-17	173.8	-68.8	179.9	0	0	0	113	T515 Y517 T519	T515-L530 VanDerWaalsContact O-CD1 3.24Å; T515-L530 WeakPolarHBondContact O-CD1 3.42Å; Y517-L530 PolarHBondContact O-N 2.87Å; T519-L530 HydrophobicContact CG2-CD1 4.43Å; T519-L530 HydrophobicContact CG2-CD2 3.77Å; T519-L530 HydrophobicContact CG2-CG 4.06Å
531	R	88.6	Confident	91.6	Very high	89 Å²	89	51.4 Å²	51.4	34%	0.336	27%	0.268	S	S	.	.	S	Bend	trans	-120	168.5	176.8	-69.8	179.5	-171.8	-154.6	7.6	110.9	N478 T516	N478-R531 PolarHBondContact ND2-O 3.27Å; T516-R531 WeakPolarHBondContact O-CD 3.46Å; T516-R531 VanDerWaalsContact O-CG 3.27Å; T516-R531 WeakPolarHBondContact O-CG 3.38Å; T516-R531 PolarHBondContact O-NE 3.43Å; T516-R531 PolarHBondContact OG1-NH2 2.62Å
532	I	90.8	Very high	91.4	Very high	96 Å²	96	52.5 Å²	52.5	49%	0.492	28%	0.276	S	S	.	.			trans	-75.3	133.7	155.9	-48.2	-172.2	0	0	0	106.6	N478 P480	N478-I532 WeakPolarHBondContact O-CG1 3.24Å; P480-I532 HydrophobicContact CG-CD1 4.47Å; P480-I532 HydrophobicContact CG-CG1 3.83Å
533	F	91.2	Very high	91.4	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.031	26%	0.256	C	S	.	.			trans	-91.1	152.9	170.2	-58.1	-51.5	0	0	0	110.7	I474 E476 N477 N478 I484 Y517 V518 A529 I541 L564 I566	I474-F533 HydrophobicContact CD1-CD2 4.35Å; I474-F533 HydrophobicContact CD1-CE2 4.26Å; I474-F533 HydrophobicContact CG2-CD2 3.96Å; I474-F533 HydrophobicContact CG2-CE2 4.33Å; E476-F533 WeakPolarHBondContact CB-O 3.22Å; N477-F533 PolarHBondContact N-O 2.93Å; N478-F533 WeakPolarHBondContact OD1-CB 3.41Å; N478-F533 WeakPolarHBondContact OD1-CD2 3.24Å; N478-F533 WeakPolarHBondContact OD1-CG 3.48Å; N478-F533 PolarHBondContact OD1-N 3.45Å; I484-F533 HydrophobicContact CD1-CE2 4.2Å; I484-F533 HydrophobicContact CD1-CZ 4.37Å; Y517-F533 HydrophobicContact CD1-CE1 4.18Å; V518-F533 HydrophobicContact CG1-CZ 4.05Å; A529-F533 HydrophobicContact CB-CE2 3.65Å; A529-F533 HydrophobicContact CB-CZ 3.8Å; F533-I541 HydrophobicContact CD1-CD1 3.71Å; F533-I541 HydrophobicContact CE1-CD1 3.45Å; F533-I541 VanDerWaalsContact CE1-CD1 3.45Å; F533-I541 HydrophobicContact CZ-CD1 4.15Å; F533-L564 HydrophobicContact CE2-CD2 3.81Å; F533-L564 HydrophobicContact CZ-CD2 3.94Å; F533-I566 HydrophobicContact CB-CD1 3.72Å; F533-I566 HydrophobicContact CB-CG1 3.99Å; F533-I566 HydrophobicContact CB-CG2 4.27Å; F533-I566 HydrophobicContact CD1-CD1 4.08Å; F533-I566 HydrophobicContact CD2-CD1 4.29Å; F533-I566 HydrophobicContact CD2-CG1 4.28Å; F533-I566 HydrophobicContact CG-CD1 3.78Å; F533-I566 HydrophobicContact CG-CG1 4.16Å
534	D	90.8	Very high	91.5	Very high	77 Å²	77	47.5 Å²	47.5	41%	0.412	24%	0.24	S	C	.	.			trans	-142.4	116.4	-169.5	178.2	106.3	0	0	0	104.9	E536 E537 V538	D534-E536 PolarHBondContact O-N 3.39Å; D534-E537 HydrophobicContact CB-CB 4.29Å; D534-E537 PolarHBondContact O-N 3.41Å; D534-E537 WeakPolarHBondContact OD2-CB 3.09Å; D534-E537 PolarHBondContact OD2-N 3.11Å; D534-V538 PolarHBondContact O-N 3.4Å
535	H	90.9	Very high	91.6	Very high	32 Å²	32	44.2 Å²	44.2	15%	0.148	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-33.3	-172	-170.5	90.8	0	0	0	111.4	E476 V538 S539 I566 D568 S610	E476-H535 WeakPolarHBondContact OE2-CB 3.25Å; E476-H535 PolarHBondContact OE2-N 3.16Å; H535-V538 CarbonylContact O-C 3.54Å; H535-V538 PolarHBondContact O-N 3.42Å; H535-S539 WeakPolarHBondContact CE1-CB 3.39Å; H535-S539 WeakPolarHBondContact NE2-CB 3.36Å; H535-S539 PolarHBondContact O-N 3.08Å; H535-I566 HydrophobicContact CB-CG2 4.29Å; H535-I566 PolarHBondContact CE1-O 2.9Å; H535-I566 PolarHBondContact ND1-O 2.93Å; H535-D568 HydrophobicContact CB-CB 4.37Å; H535-D568 IonicContact CD2-OD1 3.59Å; H535-D568 PolarHBondContact CD2-OD1 2.85Å; H535-D568 IonicContact CG-OD1 3.95Å; H535-D568 PolarHBondContact ND1-N 2.88Å; H535-S610 PolarHBondContact NE2-OG 3.35Å
536	E	90.6	Very high	91.7	Very high	59 Å²	59	46 Å²	46	28%	0.276	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-34.6	-178.2	-73.3	49.3	-105.5	0	0	112	D534 R608	D534-E536 PolarHBondContact O-N 3.39Å; E536-R608 HydrophobicContact CG-CB 3.88Å
537	E	87.9	Confident	91.7	Very high	112 Å²	112	45.9 Å²	45.9	52%	0.523	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-52.1	167.9	-162.2	-173.3	-163.5	0	0	111.3	L510 D534	L510-E537 HydrophobicContact CD1-CG 3.72Å; L510-E537 WeakPolarHBondContact CD1-O 3.2Å; D534-E537 HydrophobicContact CB-CB 4.29Å; D534-E537 PolarHBondContact O-N 3.41Å; D534-E537 WeakPolarHBondContact OD2-CB 3.09Å; D534-E537 PolarHBondContact OD2-N 3.11Å
538	V	88.3	Confident	91.7	Very high	17 Å²	17	48.6 Å²	48.6	10%	0.103	24%	0.24	C	C	.	.			trans	-147.4	99.7	-175	-171.5	0	0	0	0	113.3	I509 L510 D534 H535 Q540 I541 I566	I509-V538 HydrophobicContact CG2-CG1 4.3Å; I509-V538 HydrophobicContact CG2-CG2 4.33Å; L510-V538 HydrophobicContact CD1-CG2 3.56Å; L510-V538 HydrophobicContact CG-CG2 4.14Å; D534-V538 PolarHBondContact O-N 3.4Å; H535-V538 CarbonylContact O-C 3.54Å; H535-V538 PolarHBondContact O-N 3.42Å; V538-Q540 WeakPolarHBondContact CG1-O 3.45Å; V538-Q540 PolarHBondContact O-N 3.34Å; V538-I541 HydrophobicContact CG1-CD1 4.46Å; V538-I541 HydrophobicContact CG1-CG1 3.64Å; V538-I566 WeakPolarHBondContact O-CD1 3.35Å
539	S	88.8	Confident	91.7	Very high	59 Å²	59	45.1 Å²	45.1	41%	0.413	23%	0.226	S	C	.	.	S	Bend	trans	-74.5	-17	173	56	0	0	0	0	115.6	H535 I566	H535-S539 WeakPolarHBondContact CE1-CB 3.39Å; H535-S539 WeakPolarHBondContact NE2-CB 3.36Å; H535-S539 PolarHBondContact O-N 3.08Å; S539-I566 PolarHBondContact O-N 2.87Å
540	Q	91.3	Very high	91.3	Very high	100 Å²	100	46.3 Å²	46.3	47%	0.467	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	129.4	175.7	-172.5	170.2	92.8	0	0	113.9	V538 V563 L564 T565	V538-Q540 WeakPolarHBondContact CG1-O 3.45Å; V538-Q540 PolarHBondContact O-N 3.34Å; Q540-V563 HydrophobicContact CG-CG1 3.82Å; Q540-L564 WeakPolarHBondContact CA-O 3.34Å; Q540-T565 PolarHBondContact NE2-OG1 2.93Å; Q540-T565 VanDerWaalsContact NE2-OG1 3.12Å
541	I	90.9	Very high	90.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.1	178.3	-69.4	178.8	0	0	0	108.5	I509 I514 Y517 F533 V538 F543 L564 I566	I509-I541 HydrophobicContact CD1-CB 4.2Å; I509-I541 HydrophobicContact CD1-CG1 4.3Å; I509-I541 HydrophobicContact CD1-CG2 3.66Å; I514-I541 HydrophobicContact CD1-CG2 3.88Å; Y517-I541 HydrophobicContact CD1-CD1 4.23Å; F533-I541 HydrophobicContact CD1-CD1 3.71Å; F533-I541 HydrophobicContact CE1-CD1 3.45Å; F533-I541 VanDerWaalsContact CE1-CD1 3.45Å; F533-I541 HydrophobicContact CZ-CD1 4.15Å; V538-I541 HydrophobicContact CG1-CD1 4.46Å; V538-I541 HydrophobicContact CG1-CG1 3.64Å; I541-F543 HydrophobicContact CG2-CD1 3.92Å; I541-F543 HydrophobicContact CG2-CE1 4.22Å; I541-L564 HydrophobicContact CB-CB 4.22Å; I541-L564 HydrophobicContact CB-CD2 4.49Å; I541-L564 PolarHBondContact N-O 3.45Å; I541-L564 PolarHBondContact O-N 2.91Å; I541-I566 HydrophobicContact CD1-CD1 3.82Å; I541-I566 HydrophobicContact CG1-CD1 4.06Å
542	T	92.2	Very high	90.3	Very high	68 Å²	68	42.8 Å²	42.8	42%	0.417	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.6	175.5	-65.5	0	0	0	0	110.6	V562 V563	T542-V562 WeakPolarHBondContact CA-O 3.06Å; T542-V563 HydrophobicContact CG2-CG2 3.98Å
543	F	92.8	Very high	89.2	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	171.7	179.1	59	-78.9	0	0	0	111.8	I504 I514 V518 I527 I541 V545 V562	I504-F543 HydrophobicContact CD1-CD2 4.5Å; I504-F543 HydrophobicContact CD1-CE2 4.22Å; I504-F543 HydrophobicContact CG1-CD2 4.1Å; I504-F543 HydrophobicContact CG1-CE2 4.08Å; I504-F543 HydrophobicContact CG2-CD2 3.99Å; I514-F543 HydrophobicContact CD1-CB 3.7Å; I514-F543 HydrophobicContact CD1-CD1 3.89Å; I514-F543 HydrophobicContact CD1-CG 3.89Å; I514-F543 HydrophobicContact CG1-CB 3.68Å; I514-F543 HydrophobicContact CG1-CG 4.04Å; V518-F543 HydrophobicContact CG2-CE1 4.28Å; V518-F543 HydrophobicContact CG2-CE2 4.37Å; V518-F543 HydrophobicContact CG2-CZ 4.19Å; I527-F543 HydrophobicContact CD1-CE2 4.05Å; I527-F543 HydrophobicContact CD1-CZ 4.05Å; I527-F543 HydrophobicContact CG2-CZ 4.13Å; I541-F543 HydrophobicContact CG2-CD1 3.92Å; I541-F543 HydrophobicContact CG2-CE1 4.22Å; F543-V545 HydrophobicContact CD2-CG2 4.03Å; F543-V545 HydrophobicContact CE2-CG2 3.78Å; F543-V562 HydrophobicContact CD1-CB 4.35Å; F543-V562 HydrophobicContact CD2-CB 4.21Å; F543-V562 HydrophobicContact CE1-CB 4Å; F543-V562 HydrophobicContact CE1-CG1 3.77Å; F543-V562 HydrophobicContact CE2-CB 3.85Å; F543-V562 HydrophobicContact CE2-CG1 4.1Å; F543-V562 HydrophobicContact CE2-CG2 4.22Å; F543-V562 HydrophobicContact CG-CB 4.46Å; F543-V562 HydrophobicContact CZ-CB 3.74Å; F543-V562 HydrophobicContact CZ-CG1 3.5Å; F543-V562 HydrophobicContact CZ-CG2 4.45Å; F543-V562 PolarHBondContact N-O 2.91Å; F543-V562 PolarHBondContact O-N 2.79Å
544	V	94	Very high	88.7	Confident	46 Å²	46	51.4 Å²	51.4	28%	0.279	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.8	178.1	-175.7	0	0	0	0	108.8	L505 N559 T560 T561	L505-V544 HydrophobicContact CB-CB 4.32Å; L505-V544 HydrophobicContact CD1-CB 4.26Å; L505-V544 HydrophobicContact CD1-CG1 3.85Å; L505-V544 HydrophobicContact CG-CG1 4.46Å; L505-V544 PolarHBondContact N-O 2.84Å; V544-N559 HydrophobicContact CG1-CB 3.79Å; V544-T560 WeakPolarHBondContact CA-O 3.18Å; V544-T560 WeakPolarHBondContact CG1-O 3.39Å; V544-T561 HydrophobicContact CG2-CG2 4.39Å
545	V	94.9	Very high	88.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.8	169.2	-177.4	0	0	0	0	108.3	F465 V487 I504 I520 I527 F543 N559 T560 V562	F465-V545 HydrophobicContact CZ-CB 4.43Å; F465-V545 HydrophobicContact CZ-CG1 4.07Å; V487-V545 HydrophobicContact CG2-CB 4.43Å; V487-V545 HydrophobicContact CG2-CG1 4Å; V487-V545 HydrophobicContact CG2-CG2 4.4Å; I504-V545 HydrophobicContact CG1-CG2 4.18Å; I520-V545 HydrophobicContact CD1-CG1 3.55Å; I520-V545 HydrophobicContact CD1-CG2 4.22Å; I527-V545 HydrophobicContact CD1-CG2 4.29Å; F543-V545 HydrophobicContact CD2-CG2 4.03Å; F543-V545 HydrophobicContact CE2-CG2 3.78Å; V545-N559 WeakPolarHBondContact O-CA 3.48Å; V545-T560 HydrophobicContact CB-CG2 4.07Å; V545-T560 PolarHBondContact N-O 2.82Å; V545-T560 PolarHBondContact O-N 2.82Å; V545-V562 HydrophobicContact CG2-CG2 3.75Å
546	E	94.9	Very high	88.6	Confident	38 Å²	38	52 Å²	52	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.5	169.5	-175.9	177.7	77.3	0	0	109.5	Y502 T503 L505 R548 V557 S558 N559	Y502-E546 WeakPolarHBondContact CA-O 3.15Å; T503-E546 PolarHBondContact N-O 3.12Å; T503-E546 PolarHBondContact O-N 2.67Å; L505-E546 HydrophobicContact CD1-CB 4.45Å; L505-E546 HydrophobicContact CD2-CB 3.93Å; L505-E546 HydrophobicContact CG-CB 4Å; E546-R548 IonicContact OE1-NH1 3.11Å; E546-V557 HydrophobicContact CG-CB 4.2Å; E546-S558 WeakPolarHBondContact CA-O 3.37Å; E546-N559 VanDerWaalsContact CA-OD1 3.24Å; E546-N559 WeakPolarHBondContact CA-OD1 3.33Å; E546-N559 VanDerWaalsContact CB-OD1 3.25Å; E546-N559 WeakPolarHBondContact CB-OD1 3.37Å
547	A	95	Very high	88.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.7	161.6	0	0	0	0	0	107.9	P463 F465 A489 V500 Y502 V557 S558	P463-A547 HydrophobicContact CB-CB 4.05Å; F465-A547 HydrophobicContact CD2-CB 4.39Å; F465-A547 HydrophobicContact CE1-CB 4.23Å; F465-A547 HydrophobicContact CE2-CB 3.52Å; F465-A547 HydrophobicContact CZ-CB 3.42Å; F465-A547 VanDerWaalsContact CZ-CB 3.42Å; A489-A547 HydrophobicContact CB-CB 3.78Å; V500-A547 HydrophobicContact CG1-CB 3.89Å; Y502-A547 HydrophobicContact CD1-CB 4.13Å; Y502-A547 HydrophobicContact CE1-CB 4.2Å; A547-V557 CarbonylContact O-C 3.46Å; A547-V557 VanDerWaalsContact O-CA 3.28Å; A547-V557 WeakPolarHBondContact O-CA 3.22Å; A547-S558 PolarHBondContact N-O 2.93Å; A547-S558 PolarHBondContact O-N 2.85Å
548	R	93.3	Very high	89	Confident	58 Å²	58	48.6 Å²	48.6	22%	0.219	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.9	173.5	67.9	175.4	167.9	-77.8	-33	110.7	V500 T501 T503 E546 L556 V557	V500-R548 CarbonylContact C-O 3.51Å; V500-R548 WeakPolarHBondContact CA-O 3.11Å; T501-R548 PolarHBondContact N-O 2.97Å; T501-R548 PolarHBondContact O-N 2.9Å; T501-R548 WeakPolarHBondContact OG1-CG 3.18Å; T501-R548 PolarHBondContact OG1-NE 2.86Å; T501-R548 PolarHBondContact OG1-NH2 3.22Å; T503-R548 PolarHBondContact OG1-NH1 2.91Å; E546-R548 IonicContact OE1-NH1 3.11Å; R548-L556 WeakPolarHBondContact CA-O 3.25Å; R548-V557 HydrophobicContact CB-CG1 3.72Å
549	D	93.5	Very high	89.3	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.293	C	S	.	.			trans	-74	-177.8	168.6	55.6	42.4	0	0	0	112.7	N459 P463 N497 Q499 G551 Q555 L556	N459-D549 PolarHBondContact ND2-OD2 2.9Å; N459-D549 PolarHBondContact OD1-OD2 2.89Å; P463-D549 HydrophobicContact CG-CB 4.22Å; N497-D549 WeakPolarHBondContact O-CB 3.34Å; Q499-D549 CarbonylContact O-C 3.57Å; D549-G551 WeakPolarHBondContact OD1-CA 3.46Å; D549-G551 PolarHBondContact OD1-N 3.1Å; D549-Q555 WeakPolarHBondContact OD1-CA 3.4Å; D549-Q555 VanDerWaalsContact OD1-CB 3.3Å; D549-Q555 WeakPolarHBondContact OD1-CB 3.47Å; D549-Q555 WeakPolarHBondContact OD1-CG 3.19Å; D549-L556 VanDerWaalsContact CG-N 3.34Å; D549-L556 PolarHBondContact N-O 3.21Å; D549-L556 PolarHBondContact OD1-N 3.39Å; D549-L556 VanDerWaalsContact OD2-CA 3.28Å; D549-L556 WeakPolarHBondContact OD2-CA 3.12Å; D549-L556 WeakPolarHBondContact OD2-CB 3.41Å; D549-L556 PolarHBondContact OD2-N 2.77Å
550	G	86.3	Confident	89.6	Confident	25 Å²	25	49 Å²	49	26%	0.258	27%	0.273	S	S	.	.			trans	-93.1	8.2	163.8	0	0	0	0	0	113.8	E496 Q499	E496-G550 CarbonylContact O-C 3.56Å; E496-G550 WeakPolarHBondContact O-CA 3.14Å; E496-G550 PolarHBondContact O-N 3.38Å; Q499-G550 PolarHBondContact O-N 2.99Å
551	G	82.8	Confident	89.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.01	27%	0.266	C	S	.	.			trans	-58.5	139	-163.4	0	0	0	0	0	115.5	N459 D549 K554 Q555	N459-G551 WeakPolarHBondContact OD1-CA 3.35Å; D549-G551 WeakPolarHBondContact OD1-CA 3.46Å; D549-G551 PolarHBondContact OD1-N 3.1Å; G551-K554 CarbonylContact O-C 3.54Å; G551-Q555 WeakPolarHBondContact O-CG 3.46Å
552	S	75.9	Confident	89.9	Confident	96 Å²	96	46.7 Å²	46.7	67%	0.671	27%	0.266	S	S	*	.	S	Bend	trans	-128.1	131.5	177.2	-73.4	0	0	0	0	110.9
553	P	67.1	Low	89.9	Confident	145 Å²	145	43.7 Å²	43.7	94%	0.942	25%	0.247	S	C	*	.	S	Bend	cis	-92.3	-1.1	13.2	37.1	-38.2	0	0	0	115.3
554	K	80.7	Confident	90	Very high	139 Å²	139	43.5 Å²	43.5	60%	0.604	25%	0.247	S	C	*	.			trans	-129.3	114.5	-176.7	-178.6	-153.1	174.4	-159.6	0	109.3	N459 G551 L556	N459-K554 PolarHBondContact ND2-O 2.99Å; G551-K554 CarbonylContact O-C 3.54Å; K554-L556 HydrophobicContact CD-CD2 3.82Å; K554-L556 VanDerWaalsContact CE-CD2 3.42Å; K554-L556 HydrophobicContact CG-CD2 4.5Å
555	Q	87.4	Confident	89.9	Confident	104 Å²	104	43.6 Å²	43.6	49%	0.486	25%	0.247	S	C	.	.			trans	-73.9	136.3	169.4	-65.4	172.2	-14.5	0	0	110.3	D549 G551	D549-Q555 WeakPolarHBondContact OD1-CA 3.4Å; D549-Q555 VanDerWaalsContact OD1-CB 3.3Å; D549-Q555 WeakPolarHBondContact OD1-CB 3.47Å; D549-Q555 WeakPolarHBondContact OD1-CG 3.19Å; G551-Q555 WeakPolarHBondContact O-CG 3.46Å
556	L	91.6	Very high	89.8	Confident	18 Å²	18	43.6 Å²	43.6	9%	0.094	25%	0.248	C	C	.	.			trans	-100.6	148.7	170.8	-51.7	174.9	0	0	0	108.8	N459 N461 P462 R548 D549 K554	N459-L556 WeakPolarHBondContact ND2-CD1 3.45Å; N459-L556 VanDerWaalsContact ND2-CG 3.34Å; N459-L556 WeakPolarHBondContact ND2-CG 3.47Å; N461-L556 VanDerWaalsContact C-CD1 3.49Å; N461-L556 VanDerWaalsContact O-CD1 3.3Å; N461-L556 WeakPolarHBondContact O-CD1 3.44Å; P462-L556 HydrophobicContact CB-CB 3.96Å; R548-L556 WeakPolarHBondContact CA-O 3.25Å; D549-L556 VanDerWaalsContact CG-N 3.34Å; D549-L556 PolarHBondContact N-O 3.21Å; D549-L556 PolarHBondContact OD1-N 3.39Å; D549-L556 VanDerWaalsContact OD2-CA 3.28Å; D549-L556 WeakPolarHBondContact OD2-CA 3.12Å; D549-L556 WeakPolarHBondContact OD2-CB 3.41Å; D549-L556 PolarHBondContact OD2-N 2.77Å; K554-L556 HydrophobicContact CD-CD2 3.82Å; K554-L556 VanDerWaalsContact CE-CD2 3.42Å; K554-L556 HydrophobicContact CG-CD2 4.5Å
557	V	93.3	Very high	89.7	Confident	71 Å²	71	45.7 Å²	45.7	43%	0.43	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148	-173	-52.3	0	0	0	0	110.8	E546 A547 R548	E546-V557 HydrophobicContact CG-CB 4.2Å; A547-V557 CarbonylContact O-C 3.46Å; A547-V557 VanDerWaalsContact O-CA 3.28Å; A547-V557 WeakPolarHBondContact O-CA 3.22Å; R548-V557 HydrophobicContact CB-CG1 3.72Å
558	S	94.3	Very high	89.5	Confident	28 Å²	28	46.9 Å²	46.9	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	161.8	162.3	82.8	0	0	0	0	111.1	P463 F465 E546 A547	P463-S558 WeakPolarHBondContact O-CB 3.34Å; P463-S558 PolarHBondContact O-OG 3.09Å; F465-S558 VanDerWaalsContact CD2-OG 3.3Å; F465-S558 WeakPolarHBondContact CD2-OG 3.36Å; E546-S558 WeakPolarHBondContact CA-O 3.37Å; A547-S558 PolarHBondContact N-O 2.93Å; A547-S558 PolarHBondContact O-N 2.85Å
559	N	94.6	Very high	89.4	Confident	86 Å²	86	48.1 Å²	48.1	46%	0.46	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.2	-174.1	-75.4	-38.1	0	0	0	110.4	V544 V545 E546	V544-N559 HydrophobicContact CG1-CB 3.79Å; V545-N559 WeakPolarHBondContact O-CA 3.48Å; E546-N559 VanDerWaalsContact CA-OD1 3.24Å; E546-N559 WeakPolarHBondContact CA-OD1 3.33Å; E546-N559 VanDerWaalsContact CB-OD1 3.25Å; E546-N559 WeakPolarHBondContact CB-OD1 3.37Å
560	T	94.3	Very high	89.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.5	167	-176	0	0	0	0	110.8	F465 R467 S468 Y470 V544 V545 V562	F465-T560 HydrophobicContact CD1-CG2 3.62Å; F465-T560 HydrophobicContact CD2-CG2 3.88Å; F465-T560 HydrophobicContact CE1-CG2 3.54Å; F465-T560 HydrophobicContact CE2-CG2 3.8Å; F465-T560 HydrophobicContact CG-CG2 3.79Å; F465-T560 HydrophobicContact CZ-CG2 3.64Å; R467-T560 PolarHBondContact O-OG1 2.79Å; S468-T560 PolarHBondContact O-OG1 3.47Å; Y470-T560 HydrophobicContact CD2-CG2 4.1Å; Y470-T560 WeakPolarHBondContact CD2-OG1 3.23Å; Y470-T560 HydrophobicContact CE2-CG2 3.98Å; V544-T560 WeakPolarHBondContact CA-O 3.18Å; V544-T560 WeakPolarHBondContact CG1-O 3.39Å; V545-T560 HydrophobicContact CB-CG2 4.07Å; V545-T560 PolarHBondContact N-O 2.82Å; V545-T560 PolarHBondContact O-N 2.82Å; T560-V562 HydrophobicContact CG2-CG2 4.44Å
561	T	94.3	Very high	89.4	Confident	50 Å²	50	50.9 Å²	50.9	31%	0.307	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	141.4	167.3	50.5	0	0	0	0	110.5	S468 R469 Y470 V544	S468-T561 PolarHBondContact O-N 3.26Å; S468-T561 VanDerWaalsContact O-N 3.14Å; S468-T561 PolarHBondContact O-OG1 3.45Å; R469-T561 WeakPolarHBondContact CA-O 3.5Å; R469-T561 WeakPolarHBondContact CA-OG1 2.94Å; R469-T561 VanDerWaalsContact CB-OG1 3.24Å; R469-T561 WeakPolarHBondContact CB-OG1 3.42Å; R469-T561 WeakPolarHBondContact CD-OG1 3.37Å; R469-T561 WeakPolarHBondContact CG-OG1 3.1Å; Y470-T561 PolarHBondContact N-O 3.09Å; V544-T561 HydrophobicContact CG2-CG2 4.39Å
562	V	94.1	Very high	89.7	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.1	171.7	-177.3	0	0	0	0	107.9	Y470 F472 V487 I527 T542 F543 V545 T560	Y470-V562 WeakPolarHBondContact O-CA 3.19Å; F472-V562 HydrophobicContact CD2-CG1 3.8Å; F472-V562 HydrophobicContact CE2-CG1 4.02Å; V487-V562 HydrophobicContact CG1-CG2 3.97Å; I527-V562 HydrophobicContact CD1-CG1 4.4Å; I527-V562 HydrophobicContact CD1-CG2 4.38Å; T542-V562 WeakPolarHBondContact CA-O 3.06Å; F543-V562 HydrophobicContact CD1-CB 4.35Å; F543-V562 HydrophobicContact CD2-CB 4.21Å; F543-V562 HydrophobicContact CE1-CB 4Å; F543-V562 HydrophobicContact CE1-CG1 3.77Å; F543-V562 HydrophobicContact CE2-CB 3.85Å; F543-V562 HydrophobicContact CE2-CG1 4.1Å; F543-V562 HydrophobicContact CE2-CG2 4.22Å; F543-V562 HydrophobicContact CG-CB 4.46Å; F543-V562 HydrophobicContact CZ-CB 3.74Å; F543-V562 HydrophobicContact CZ-CG1 3.5Å; F543-V562 HydrophobicContact CZ-CG2 4.45Å; F543-V562 PolarHBondContact N-O 2.91Å; F543-V562 PolarHBondContact O-N 2.79Å; V545-V562 HydrophobicContact CG2-CG2 3.75Å; T560-V562 HydrophobicContact CG2-CG2 4.44Å
563	V	93.8	Very high	90.4	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	108.3	177.5	-178.5	0	0	0	0	108.2	Y470 E471 F472 Q540 T542	Y470-V563 PolarHBondContact O-N 3.05Å; E471-V563 WeakPolarHBondContact CA-O 3.43Å; E471-V563 HydrophobicContact CG-CB 4.48Å; F472-V563 PolarHBondContact N-O 3.28Å; Q540-V563 HydrophobicContact CG-CG1 3.82Å; T542-V563 HydrophobicContact CG2-CG2 3.98Å
564	L	93	Very high	91.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.3	175.1	178	63.8	0	0	0	108.3	F472 I474 I484 F533 Q540 I541	F472-L564 HydrophobicContact CB-CD1 4.32Å; I474-L564 HydrophobicContact CB-CD1 4.08Å; I474-L564 HydrophobicContact CG2-CD1 3.72Å; I474-L564 HydrophobicContact CG2-CD2 4.38Å; I474-L564 HydrophobicContact CG2-CG 4.18Å; I484-L564 HydrophobicContact CD1-CD2 3.86Å; I484-L564 HydrophobicContact CG2-CD1 3.71Å; F533-L564 HydrophobicContact CE2-CD2 3.81Å; F533-L564 HydrophobicContact CZ-CD2 3.94Å; Q540-L564 WeakPolarHBondContact CA-O 3.34Å; I541-L564 HydrophobicContact CB-CB 4.22Å; I541-L564 HydrophobicContact CB-CD2 4.49Å; I541-L564 PolarHBondContact N-O 3.45Å; I541-L564 PolarHBondContact O-N 2.91Å
565	T	92.9	Very high	92	Very high	48 Å²	48	42.3 Å²	42.3	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.9	171.8	-53.4	0	0	0	0	108.6	F472 V473 I474 Q540	F472-T565 PolarHBondContact O-N 3.37Å; V473-T565 VanDerWaalsContact CA-O 3.31Å; V473-T565 WeakPolarHBondContact CA-O 3.34Å; I474-T565 PolarHBondContact N-O 3.36Å; I474-T565 VanDerWaalsContact N-O 3.09Å; Q540-T565 PolarHBondContact NE2-OG1 2.93Å; Q540-T565 VanDerWaalsContact NE2-OG1 3.12Å
566	I	93.1	Very high	92.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.5	179.5	-71.7	148.1	0	0	0	107.6	I474 E476 F533 H535 V538 S539 I541	I474-I566 HydrophobicContact CG2-CG1 3.88Å; I474-I566 CarbonylContact O-C 3.59Å; I474-I566 WeakPolarHBondContact O-CA 3.21Å; E476-I566 HydrophobicContact CB-CG2 3.72Å; F533-I566 HydrophobicContact CB-CD1 3.72Å; F533-I566 HydrophobicContact CB-CG1 3.99Å; F533-I566 HydrophobicContact CB-CG2 4.27Å; F533-I566 HydrophobicContact CD1-CD1 4.08Å; F533-I566 HydrophobicContact CD2-CD1 4.29Å; F533-I566 HydrophobicContact CD2-CG1 4.28Å; F533-I566 HydrophobicContact CG-CD1 3.78Å; F533-I566 HydrophobicContact CG-CG1 4.16Å; H535-I566 HydrophobicContact CB-CG2 4.29Å; H535-I566 PolarHBondContact CE1-O 2.9Å; H535-I566 PolarHBondContact ND1-O 2.93Å; V538-I566 WeakPolarHBondContact O-CD1 3.35Å; S539-I566 PolarHBondContact O-N 2.87Å; I541-I566 HydrophobicContact CD1-CD1 3.82Å; I541-I566 HydrophobicContact CG1-CD1 4.06Å
567	I	91.6	Very high	91.8	Very high	82 Å²	82	42.9 Å²	42.9	42%	0.421	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.6	172.1	-75.2	168.7	0	0	0	108.3	V473 I474 E476	V473-I567 HydrophobicContact CG1-CD1 3.4Å; V473-I567 HydrophobicContact CG1-CG1 3.49Å; V473-I567 VanDerWaalsContact CG1-CG1 3.49Å; I474-I567 PolarHBondContact O-N 3.3Å; E476-I567 WeakPolarHBondContact CG-O 3.48Å; E476-I567 PolarHBondContact N-O 2.95Å
568	D	91.7	Very high	91.4	Very high	25 Å²	25	40.2 Å²	40.2	13%	0.134	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-53.3	119.7	160.3	-173.3	88.3	0	0	0	111.3	H535 D609 S610 N613	H535-D568 HydrophobicContact CB-CB 4.37Å; H535-D568 IonicContact CD2-OD1 3.59Å; H535-D568 PolarHBondContact CD2-OD1 2.85Å; H535-D568 IonicContact CG-OD1 3.95Å; H535-D568 PolarHBondContact ND1-N 2.88Å; D568-D609 WeakPolarHBondContact OD1-CA 3.36Å; D568-S610 VanDerWaalsContact CG-N 3.26Å; D568-S610 VanDerWaalsContact OD1-CB 3.27Å; D568-S610 WeakPolarHBondContact OD1-CB 3.26Å; D568-S610 PolarHBondContact OD1-N 3.32Å; D568-S610 PolarHBondContact OD2-N 3.45Å; D568-S610 VanDerWaalsContact OD2-N 3.13Å; D568-S610 VanDerWaalsContact OD2-O 3.07Å; D568-N613 WeakPolarHBondContact OD2-CB 3.27Å; D568-N613 PolarHBondContact OD2-ND2 3.05Å
569	E	90.4	Very high	90.9	Very high	84 Å²	84	40.3 Å²	40.3	39%	0.393	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-101.3	173.6	165.5	-60.4	-81.4	164.6	0	0	108.1	S475 E476 D571 N613	S475-E569 WeakPolarHBondContact CB-OE1 3.47Å; S475-E569 PolarHBondContact OG-OE1 2.92Å; E476-E569 HydrophobicContact CG-CB 4.12Å; E476-E569 HydrophobicContact CG-CG 3.97Å; E476-E569 WeakPolarHBondContact OE1-CA 3.4Å; E476-E569 WeakPolarHBondContact OE1-CB 3.49Å; E476-E569 PolarHBondContact OE1-N 3.46Å; E569-D571 PolarHBondContact O-N 3.08Å; E569-N613 PolarHBondContact O-ND2 2.86Å
570	N	91	Very high	90.3	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	24%	0.236	C	C	.	.	S	Bend	trans	-92.8	81.9	-178.7	-161.2	108.5	0	0	0	110.3	D609 N613 D660 G662 P664 L666	N570-D609 WeakPolarHBondContact CA-OD2 3.37Å; N570-N613 HydrophobicContact CB-CB 4.13Å; N570-N613 PolarHBondContact N-ND2 3.02Å; N570-N613 WeakPolarHBondContact OD1-CA 3.3Å; N570-N613 WeakPolarHBondContact OD1-CB 3.05Å; N570-D660 PolarHBondContact ND2-OD2 2.81Å; N570-D660 PolarHBondContact OD1-OD1 2.92Å; N570-D660 PolarHBondContact OD1-OD2 2.78Å; N570-G662 VanDerWaalsContact OD1-CA 3.22Å; N570-G662 WeakPolarHBondContact OD1-CA 3.3Å; N570-G662 PolarHBondContact OD1-N 2.67Å; N570-P664 PolarHBondContact ND2-O 3.36Å; N570-L666 WeakPolarHBondContact ND2-CD1 3.15Å; N570-L666 WeakPolarHBondContact ND2-CG 3.26Å; N570-L666 VanDerWaalsContact O-CD1 3.26Å; N570-L666 WeakPolarHBondContact O-CD1 3.32Å
571	D	88.9	Confident	89.8	Confident	72 Å²	72	43 Å²	43	39%	0.385	25%	0.249	S	C	.	.			trans	-103.6	-40.3	-166.9	166	-69.3	0	0	0	112.5	N477 E569 D609	N477-D571 PolarHBondContact ND2-OD2 3.07Å; E569-D571 PolarHBondContact O-N 3.08Å; D571-D609 PolarHBondContact N-OD2 2.92Å; D571-D609 VanDerWaalsContact N-OD2 3.1Å
572	N	90.1	Very high	89	Confident	32 Å²	32	50.4 Å²	50.4	17%	0.171	27%	0.271	C	S	.	.	S	Bend	trans	-86	164.5	178.7	-64.4	-97.4	0	0	0	112.3	D607 R608 D609 L666	N572-D607 WeakPolarHBondContact CB-OD1 3.43Å; N572-R608 HydrophobicContact CB-CB 3.96Å; N572-R608 VanDerWaalsContact OD1-CD 3.27Å; N572-R608 WeakPolarHBondContact OD1-CD 3.31Å; N572-D609 WeakPolarHBondContact CB-OD1 3.39Å; N572-D609 PolarHBondContact N-OD1 3.24Å; N572-D609 VanDerWaalsContact N-OD1 3.13Å; N572-D609 PolarHBondContact N-OD2 2.75Å; N572-D609 PolarHBondContact ND2-OD1 3.42Å; N572-L666 WeakPolarHBondContact O-CD1 3.12Å
573	I	89.8	Confident	88.3	Confident	93 Å²	93	58 Å²	58	48%	0.477	31%	0.312	S	S	.	.			trans	-108.8	143.8	177.6	66.7	176.8	0	0	0	110.7	V575 L666	I573-V575 WeakPolarHBondContact O-CG2 3.26Å; I573-V575 PolarHBondContact O-N 3.09Å; I573-L666 HydrophobicContact CG2-CB 4.14Å; I573-L666 HydrophobicContact CG2-CD1 4.18Å
574	P	91.9	Very high	87.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.335	C	S	.	.			trans	-56.1	111.5	178.3	-27.8	31.2	0	0	0	113.1	D607 L616 I658 T668	P574-D607 WeakPolarHBondContact CA-OD2 3.19Å; P574-D607 WeakPolarHBondContact CD-OD2 3.49Å; P574-D607 WeakPolarHBondContact CG-OD2 3.21Å; P574-L616 HydrophobicContact CB-CD1 4.5Å; P574-L616 HydrophobicContact CB-CD2 3.71Å; P574-L616 HydrophobicContact CG-CD2 3.65Å; P574-I658 HydrophobicContact CB-CG2 3.88Å; P574-T668 WeakPolarHBondContact O-CB 3.26Å; P574-T668 PolarHBondContact O-OG1 3.47Å
575	V	89.8	Confident	87.3	Confident	75 Å²	75	64.1 Å²	64.1	46%	0.455	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123	-176	-179.1	0	0	0	0	111.7	I573 A605 I606	I573-V575 WeakPolarHBondContact O-CG2 3.26Å; I573-V575 PolarHBondContact O-N 3.09Å; V575-A605 CarbonylContact O-C 3.47Å; V575-A605 WeakPolarHBondContact O-CA 3.26Å; V575-A605 WeakPolarHBondContact O-CB 3.24Å; V575-I606 PolarHBondContact N-O 2.89Å; V575-I606 PolarHBondContact O-N 2.98Å
576	V	88.8	Confident	87	Confident	27 Å²	27	62 Å²	62	16%	0.164	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.2	-177.2	-164.1	0	0	0	0	111.7	G578 L581 I603 A605 I658 T668 V670	V576-G578 WeakPolarHBondContact CG1-O 3.39Å; V576-L581 HydrophobicContact CB-CD1 3.89Å; V576-L581 HydrophobicContact CG1-CD1 4.16Å; V576-L581 HydrophobicContact CG1-CG 4.4Å; V576-L581 HydrophobicContact CG2-CD1 4.17Å; V576-I603 HydrophobicContact CG1-CG2 4.12Å; V576-A605 HydrophobicContact CG2-CB 4.48Å; V576-I658 HydrophobicContact CB-CD1 4.48Å; V576-I658 HydrophobicContact CG1-CD1 4.39Å; V576-I658 HydrophobicContact CG2-CD1 3.32Å; V576-T668 HydrophobicContact CG2-CG2 3.86Å; V576-V670 HydrophobicContact CG2-CG2 3.81Å
577	I	87.2	Confident	86.5	Confident	108 Å²	108	68.8 Å²	68.8	55%	0.554	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	-31.3	176.1	-51.7	-177.1	0	0	0	111.3	R604 I606	I577-R604 PolarHBondContact N-O 3.35Å; I577-I606 HydrophobicContact CD1-CB 4.36Å; I577-I606 HydrophobicContact CD1-CD1 3.96Å; I577-I606 HydrophobicContact CD1-CG1 3.89Å; I577-I606 HydrophobicContact CD1-CG2 3.65Å; I577-I606 HydrophobicContact CG1-CG1 4.27Å
578	G	83.9	Confident	86.3	Confident	15 Å²	15	65.6 Å²	65.6	16%	0.155	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	149.2	-179.3	0	0	0	0	0	113.2	V576 I603 R604	V576-G578 WeakPolarHBondContact CG1-O 3.39Å; G578-I603 CarbonylContact O-C 3.58Å; G578-I603 WeakPolarHBondContact O-CA 3.46Å; G578-R604 PolarHBondContact N-O 3.19Å; G578-R604 PolarHBondContact O-N 2.98Å
579	P	83.6	Confident	85.9	Confident	30 Å²	30	69 Å²	69	20%	0.195	37%	0.371	C	S	.	.	S	Bend	cis	-60.8	161.9	-9	28	-36.1	0	0	0	112.4	L581 A586 L672	P579-L581 WeakPolarHBondContact O-CD2 3.46Å; P579-L581 PolarHBondContact O-N 3.2Å; P579-L581 VanDerWaalsContact O-N 3.13Å; P579-A586 HydrophobicContact CB-CB 4.15Å; P579-A586 HydrophobicContact CG-CB 3.79Å; P579-L672 HydrophobicContact CG-CD2 4.23Å
580	A	81.9	Confident	85.7	Confident	90 Å²	90	65 Å²	65	74%	0.744	35%	0.352	S	S	*	.			trans	-69.3	110.7	-173.6	0	0	0	0	0	111.4
581	L	83.6	Confident	85.2	Confident	52 Å²	52	66.7 Å²	66.7	27%	0.272	36%	0.363	S	S	.	.			trans	-80.8	146.2	-175.4	-51.6	-171.9	0	0	0	112.6	V576 P579 T585 A586 V670	V576-L581 HydrophobicContact CB-CD1 3.89Å; V576-L581 HydrophobicContact CG1-CD1 4.16Å; V576-L581 HydrophobicContact CG1-CG 4.4Å; V576-L581 HydrophobicContact CG2-CD1 4.17Å; P579-L581 WeakPolarHBondContact O-CD2 3.46Å; P579-L581 PolarHBondContact O-N 3.2Å; P579-L581 VanDerWaalsContact O-N 3.13Å; L581-T585 CarbonylContact C-O 3.6Å; L581-T585 VanDerWaalsContact CA-O 3.3Å; L581-T585 WeakPolarHBondContact CA-O 3.33Å; L581-A586 HydrophobicContact CD2-CB 3.69Å; L581-V670 HydrophobicContact CD1-CG1 4.18Å; L581-V670 HydrophobicContact CD1-CG2 3.93Å; L581-V670 HydrophobicContact CD2-CG1 3.64Å
582	R	77.6	Confident	84.6	Confident	206 Å²	206	66.4 Å²	66.4	78%	0.777	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-127.2	119.2	165.2	-66.8	-176.7	174.8	-166.3	-1.3	108.1	N584 T585	R582-N584 VanDerWaalsContact C-N 3.25Å; R582-N584 PolarHBondContact O-N 2.92Å; R582-T585 PolarHBondContact N-O 2.84Å; R582-T585 PolarHBondContact O-N 2.78Å; R582-T585 PolarHBondContact O-OG1 3.18Å
583	N	80.4	Confident	83.9	Confident	161 Å²	161	67.5 Å²	67.5	86%	0.861	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	45	-174.5	-59.2	-5	0	0	0	112.9	T585	N583-T585 PolarHBondContact O-N 3.18Å; N583-T585 VanDerWaalsContact O-N 3.09Å
584	N	80.1	Confident	83.4	Confident	95 Å²	95	63.1 Å²	63.1	51%	0.508	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	8.9	-173.5	-62.2	25.4	0	0	0	115.7	R582 K669 L671	R582-N584 VanDerWaalsContact C-N 3.25Å; R582-N584 PolarHBondContact O-N 2.92Å; N584-K669 PolarHBondContact ND2-O 3.26Å; N584-L671 PolarHBondContact O-N 3.43Å
585	T	84.8	Confident	82.9	Confident	39 Å²	39	70.3 Å²	70.3	24%	0.239	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	147.8	172.2	80.1	0	0	0	0	111.6	L581 R582 N583 L671	L581-T585 CarbonylContact C-O 3.6Å; L581-T585 VanDerWaalsContact CA-O 3.3Å; L581-T585 WeakPolarHBondContact CA-O 3.33Å; R582-T585 PolarHBondContact N-O 2.84Å; R582-T585 PolarHBondContact O-N 2.78Å; R582-T585 PolarHBondContact O-OG1 3.18Å; N583-T585 PolarHBondContact O-N 3.18Å; N583-T585 VanDerWaalsContact O-N 3.09Å; T585-L671 CarbonylContact C-O 3.51Å; T585-L671 WeakPolarHBondContact CA-O 3.46Å; T585-L671 HydrophobicContact CG2-CB 4.11Å; T585-L671 HydrophobicContact CG2-CD2 4.08Å
586	A	86.1	Confident	82.5	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.033	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.4	164.3	0	0	0	0	0	110.6	P579 L581 L671 L672 K673	P579-A586 HydrophobicContact CB-CB 4.15Å; P579-A586 HydrophobicContact CG-CB 3.79Å; L581-A586 HydrophobicContact CD2-CB 3.69Å; A586-L671 PolarHBondContact N-O 3Å; A586-L672 HydrophobicContact CB-CD2 3.89Å; A586-L672 CarbonylContact O-C 3.55Å; A586-L672 WeakPolarHBondContact O-CA 3.26Å; A586-K673 PolarHBondContact O-N 3.22Å
587	E	84	Confident	82.2	Confident	143 Å²	143	71.4 Å²	71.4	67%	0.668	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.9	175.2	-69.1	165.5	-160.3	0	0	109.4	K673 M675	E587-K673 WeakPolarHBondContact CA-O 3.38Å; E587-K673 HydrophobicContact CG-CB 4.17Å; E587-K673 HydrophobicContact CG-CD 4.46Å; E587-M675 HydrophobicContact CB-CE 4.09Å; E587-M675 HydrophobicContact CG-CE 4.22Å
588	I	86.4	Confident	82.2	Confident	15 Å²	15	69.9 Å²	69.9	8%	0.077	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.8	-180	-53.9	170.9	0	0	0	108.3	V600 T601 L672 K673 C674 M675	I588-V600 HydrophobicContact CD1-CG1 4.45Å; I588-V600 HydrophobicContact CG2-CG1 3.81Å; I588-T601 HydrophobicContact CD1-CG2 3.53Å; I588-L672 HydrophobicContact CD1-CB 4.01Å; I588-L672 HydrophobicContact CD1-CD1 3.89Å; I588-L672 HydrophobicContact CD1-CD2 4.04Å; I588-L672 HydrophobicContact CD1-CG 4.2Å; I588-K673 PolarHBondContact N-O 2.78Å; I588-C674 CarbonylContact O-C 3.57Å; I588-C674 WeakPolarHBondContact O-CA 3.43Å; I588-M675 PolarHBondContact O-N 3.48Å
589	T	84.9	Confident	82.3	Confident	97 Å²	97	73.1 Å²	73.1	60%	0.595	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.1	173.9	46.5	0	0	0	0	111.1	M675	T589-M675 WeakPolarHBondContact CA-O 3.06Å
590	I	84.4	Confident	82.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.4	178.9	-54.4	177.3	0	0	0	108	A594 F598 V600 F629 M644 C674 M675 I676 F677	I590-A594 HydrophobicContact CG2-CB 4.03Å; I590-F598 HydrophobicContact CG2-CD1 4.27Å; I590-F598 HydrophobicContact CG2-CE1 4.2Å; I590-V600 HydrophobicContact CD1-CB 4.44Å; I590-V600 HydrophobicContact CD1-CG1 3.74Å; I590-V600 HydrophobicContact CD1-CG2 3.83Å; I590-V600 HydrophobicContact CG1-CG1 3.98Å; I590-V600 HydrophobicContact CG1-CG2 4.33Å; I590-F629 HydrophobicContact CD1-CE1 3.66Å; I590-F629 HydrophobicContact CD1-CZ 4.02Å; I590-M644 HydrophobicContact CB-CE 4.28Å; I590-M644 HydrophobicContact CD1-CE 3.78Å; I590-M644 HydrophobicContact CG2-CE 3.85Å; I590-C674 HydrophobicContact CD1-CB 3.89Å; I590-M675 PolarHBondContact N-O 2.76Å; I590-I676 CarbonylContact O-C 3.52Å; I590-I676 WeakPolarHBondContact O-CA 3.42Å; I590-F677 PolarHBondContact O-N 2.88Å
591	P	81.2	Confident	82.8	Confident	46 Å²	46	69.2 Å²	69.2	30%	0.299	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.9	177	28	-32.9	0	0	0	110.5	G593 A594 F598	P591-G593 VanDerWaalsContact C-N 3.31Å; P591-G593 PolarHBondContact O-N 2.9Å; P591-A594 HydrophobicContact CG-CB 4.34Å; P591-A594 WeakPolarHBondContact O-CB 3.46Å; P591-A594 PolarHBondContact O-N 3.45Å; P591-A594 VanDerWaalsContact O-N 3.08Å; P591-F598 HydrophobicContact CG-CE1 4.2Å; P591-F598 HydrophobicContact CG-CE2 3.87Å; P591-F598 HydrophobicContact CG-CZ 3.63Å
592	K	77.4	Confident	83	Confident	67 Å²	67	72.7 Å²	72.7	29%	0.291	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40.6	-177.6	-168.9	177.6	176	177.7	0	114	A594 M644 D645 I676 F677 E678	K592-A594 PolarHBondContact O-N 3.26Å; K592-M644 CarbonylContact O-C 3.52Å; K592-M644 WeakPolarHBondContact O-CB 3.33Å; K592-D645 PolarHBondContact O-N 2.75Å; K592-I676 HydrophobicContact CB-CG2 3.69Å; K592-I676 HydrophobicContact CD-CG2 4.41Å; K592-I676 HydrophobicContact CG-CG2 3.92Å; K592-F677 PolarHBondContact N-O 2.99Å; K592-E678 HydrophobicContact CD-CB 4.13Å; K592-E678 HydrophobicContact CD-CG 3.87Å; K592-E678 WeakPolarHBondContact CD-OE1 3.19Å; K592-E678 WeakPolarHBondContact CD-OE2 3.16Å; K592-E678 IonicContact NZ-OE1 2.69Å; K592-E678 PolarHBondContact NZ-OE1 2.66Å; K592-E678 IonicContact NZ-OE2 2.74Å; K592-E678 PolarHBondContact NZ-OE2 3.35Å
593	G	74.1	Confident	83.6	Confident	54 Å²	54	63.1 Å²	63.1	56%	0.557	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	32.2	174.2	0	0	0	0	0	114.8	P591 E595	P591-G593 VanDerWaalsContact C-N 3.31Å; P591-G593 PolarHBondContact O-N 2.9Å; G593-E595 PolarHBondContact O-N 3.13Å
594	A	80.2	Confident	84	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.017	34%	0.338	C	S	.	.			trans	-77.1	113.6	174.8	0	0	0	0	0	110.4	I590 P591 K592 F598 S643 M644	I590-A594 HydrophobicContact CG2-CB 4.03Å; P591-A594 HydrophobicContact CG-CB 4.34Å; P591-A594 WeakPolarHBondContact O-CB 3.46Å; P591-A594 PolarHBondContact O-N 3.45Å; P591-A594 VanDerWaalsContact O-N 3.08Å; K592-A594 PolarHBondContact O-N 3.26Å; A594-F598 HydrophobicContact CB-CB 3.87Å; A594-F598 HydrophobicContact CB-CD1 3.98Å; A594-F598 HydrophobicContact CB-CD2 4.18Å; A594-F598 HydrophobicContact CB-CG 3.74Å; A594-S643 WeakPolarHBondContact O-CA 3.16Å; A594-M644 HydrophobicContact CB-CB 4.04Å; A594-M644 PolarHBondContact O-N 3.49Å
595	E	80.3	Confident	84.5	Confident	150 Å²	150	60.1 Å²	60.1	70%	0.701	32%	0.324	S	S	*	.			trans	-67.1	173.5	172.2	-62.3	-172.3	171.5	0	0	112.1	G593 F598 T640	G593-E595 PolarHBondContact O-N 3.13Å; E595-F598 WeakPolarHBondContact O-CB 3.28Å; E595-F598 PolarHBondContact O-N 2.7Å; E595-T640 PolarHBondContact O-OG1 2.72Å
596	S	82.2	Confident	84.7	Confident	77 Å²	77	62.4 Å²	62.4	54%	0.538	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	135.4	170	-179.5	0	0	0	0	110.4	N641	S596-N641 WeakPolarHBondContact CB-O 3.33Å; S596-N641 PolarHBondContact OG-O 3.02Å
597	G	83.1	Confident	85	Confident	48 Å²	48	63.4 Å²	63.4	50%	0.495	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	6.6	-175	0	0	0	0	0	115	H599 T640	G597-H599 PolarHBondContact O-N 3.46Å; G597-T640 WeakPolarHBondContact CA-O 3.19Å; G597-T640 PolarHBondContact N-O 2.84Å; G597-T640 PolarHBondContact N-OG1 3.42Å
598	F	85.2	Confident	85.3	Confident	76 Å²	76	64.7 Å²	64.7	33%	0.333	34%	0.337	S	S	.	.			trans	-67.7	123.1	175.4	178.5	-90.2	0	0	0	111	I590 P591 A594 E595 V600 H639 T640	I590-F598 HydrophobicContact CG2-CD1 4.27Å; I590-F598 HydrophobicContact CG2-CE1 4.2Å; P591-F598 HydrophobicContact CG-CE1 4.2Å; P591-F598 HydrophobicContact CG-CE2 3.87Å; P591-F598 HydrophobicContact CG-CZ 3.63Å; A594-F598 HydrophobicContact CB-CB 3.87Å; A594-F598 HydrophobicContact CB-CD1 3.98Å; A594-F598 HydrophobicContact CB-CD2 4.18Å; A594-F598 HydrophobicContact CB-CG 3.74Å; E595-F598 WeakPolarHBondContact O-CB 3.28Å; E595-F598 PolarHBondContact O-N 2.7Å; F598-V600 HydrophobicContact CD1-CG2 4.32Å; F598-V600 PolarHBondContact O-N 3.19Å; F598-H639 CarbonylContact O-C 3.56Å; F598-H639 VanDerWaalsContact O-CA 3.26Å; F598-H639 WeakPolarHBondContact O-CA 3.26Å; F598-T640 HydrophobicContact CB-CG2 4.25Å; F598-T640 WeakPolarHBondContact CB-OG1 3.21Å; F598-T640 PolarHBondContact N-OG1 2.93Å; F598-T640 PolarHBondContact O-N 3.01Å
599	H	87.9	Confident	85.6	Confident	84 Å²	84	64.3 Å²	64.3	39%	0.389	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	111.4	176.8	168.9	-70.7	0	0	0	111.1	G597 T601 D637	G597-H599 PolarHBondContact O-N 3.46Å; H599-T601 VanDerWaalsContact CE1-C 3.49Å; H599-D637 IonicContact CD2-OD1 3.8Å; H599-D637 IonicContact NE2-OD1 2.65Å
600	V	86.9	Confident	85.8	Confident	15 Å²	15	61.9 Å²	61.9	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-54	-179.4	174.5	0	0	0	0	111.2	I588 I590 F598 F629 I638 T640	I588-V600 HydrophobicContact CD1-CG1 4.45Å; I588-V600 HydrophobicContact CG2-CG1 3.81Å; I590-V600 HydrophobicContact CD1-CB 4.44Å; I590-V600 HydrophobicContact CD1-CG1 3.74Å; I590-V600 HydrophobicContact CD1-CG2 3.83Å; I590-V600 HydrophobicContact CG1-CG1 3.98Å; I590-V600 HydrophobicContact CG1-CG2 4.33Å; F598-V600 HydrophobicContact CD1-CG2 4.32Å; F598-V600 PolarHBondContact O-N 3.19Å; V600-F629 HydrophobicContact CG2-CD1 4.19Å; V600-F629 HydrophobicContact CG2-CE1 4.07Å; V600-I638 HydrophobicContact CB-CB 4.36Å; V600-I638 HydrophobicContact CB-CG2 4.1Å; V600-I638 WeakPolarHBondContact CB-O 3.17Å; V600-I638 HydrophobicContact CG1-CG2 4.46Å; V600-I638 HydrophobicContact CG2-CG2 4.45Å; V600-I638 PolarHBondContact N-O 3.45Å; V600-T640 HydrophobicContact CG2-CG2 4Å
601	T	87.6	Confident	86	Confident	22 Å²	22	65.2 Å²	65.2	14%	0.135	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	159.7	176	-162.2	0	0	0	0	111.5	I588 H599 I638 L672	I588-T601 HydrophobicContact CD1-CG2 3.53Å; H599-T601 VanDerWaalsContact CE1-C 3.49Å; T601-I638 HydrophobicContact CG2-CB 4.49Å; T601-I638 HydrophobicContact CG2-CD1 4.18Å; T601-I638 PolarHBondContact O-N 2.91Å; T601-L672 HydrophobicContact CG2-CD1 4.24Å
602	R	88.5	Confident	86.4	Confident	125 Å²	125	67.2 Å²	67.2	47%	0.472	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.8	163	178.7	169.2	-71.8	155.7	5.7	108.9	R604 D637	R602-R604 HydrophobicContact CG-CG 3.94Å; R602-D637 VanDerWaalsContact CB-OD1 3.23Å; R602-D637 WeakPolarHBondContact CB-OD1 3.18Å; R602-D637 WeakPolarHBondContact CG-OD1 3.35Å; R602-D637 IonicContact CZ-OD1 3.41Å; R602-D637 VanDerWaalsContact CZ-OD1 3.25Å; R602-D637 IonicContact CZ-OD2 2.77Å; R602-D637 IonicContact NE-OD1 2.64Å; R602-D637 PolarHBondContact NE-OD1 2.94Å; R602-D637 IonicContact NE-OD2 3.56Å; R602-D637 VanDerWaalsContact NH2-CG 3.29Å; R602-D637 IonicContact NH2-OD1 2.75Å; R602-D637 PolarHBondContact NH2-OD1 3.09Å; R602-D637 IonicContact NH2-OD2 2.72Å; R602-D637 PolarHBondContact NH2-OD2 3.19Å
603	I	89.8	Confident	86.9	Confident	6 Å²	6	64.7 Å²	64.7	3%	0.031	36%	0.357	C	S	.	.			trans	-75	128.4	164.5	-59.3	178.8	0	0	0	107.8	V576 G578 I631 C636 I638 V656 I658 L672	V576-I603 HydrophobicContact CG1-CG2 4.12Å; G578-I603 CarbonylContact O-C 3.58Å; G578-I603 WeakPolarHBondContact O-CA 3.46Å; I603-I631 HydrophobicContact CD1-CD1 4.45Å; I603-C636 HydrophobicContact CB-CB 4.03Å; I603-C636 PolarHBondContact N-O 2.79Å; I603-C636 WeakPolarHBondContact O-CB 3.5Å; I603-I638 HydrophobicContact CD1-CD1 4.19Å; I603-I638 HydrophobicContact CG1-CD1 4.5Å; I603-V656 HydrophobicContact CD1-CB 3.99Å; I603-V656 HydrophobicContact CD1-CG1 3.61Å; I603-V656 HydrophobicContact CD1-CG2 4.21Å; I603-I658 HydrophobicContact CG2-CD1 3.48Å; I603-I658 VanDerWaalsContact CG2-CD1 3.48Å; I603-I658 HydrophobicContact CG2-CG1 4.06Å; I603-L672 HydrophobicContact CD1-CD1 4.16Å; I603-L672 HydrophobicContact CG1-CD1 4.48Å
604	R	89.3	Confident	87.6	Confident	168 Å²	168	63.9 Å²	63.9	63%	0.634	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	107.7	174.7	-64.1	-172.8	66.3	-168.4	-2.2	108.4	I577 G578 R602	I577-R604 PolarHBondContact N-O 3.35Å; G578-R604 PolarHBondContact N-O 3.19Å; G578-R604 PolarHBondContact O-N 2.98Å; R602-R604 HydrophobicContact CG-CG 3.94Å
605	A	89.4	Confident	88.1	Confident	25 Å²	25	67.9 Å²	67.9	21%	0.207	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	165.3	167.1	0	0	0	0	0	110.3	V575 V576 L616 I658	V575-A605 CarbonylContact O-C 3.47Å; V575-A605 WeakPolarHBondContact O-CA 3.26Å; V575-A605 WeakPolarHBondContact O-CB 3.24Å; V576-A605 HydrophobicContact CG2-CB 4.48Å; A605-L616 HydrophobicContact CB-CD1 3.6Å; A605-I658 HydrophobicContact CB-CD1 4.45Å; A605-I658 HydrophobicContact CB-CG2 3.92Å
606	I	90.6	Very high	88.6	Confident	87 Å²	87	62.3 Å²	62.3	45%	0.446	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.1	163.3	57.5	169.7	0	0	0	107.6	V575 I577	V575-I606 PolarHBondContact N-O 2.89Å; V575-I606 PolarHBondContact O-N 2.98Å; I577-I606 HydrophobicContact CD1-CB 4.36Å; I577-I606 HydrophobicContact CD1-CD1 3.96Å; I577-I606 HydrophobicContact CD1-CG1 3.89Å; I577-I606 HydrophobicContact CD1-CG2 3.65Å; I577-I606 HydrophobicContact CG1-CG1 4.27Å
607	D	91.8	Very high	89.1	Confident	24 Å²	24	59.6 Å²	59.6	13%	0.128	32%	0.32	C	S	.	.			trans	-103.5	176.4	152.3	-126.9	-56.4	0	0	0	111.1	N572 P574 A614 L616	N572-D607 WeakPolarHBondContact CB-OD1 3.43Å; P574-D607 WeakPolarHBondContact CA-OD2 3.19Å; P574-D607 WeakPolarHBondContact CD-OD2 3.49Å; P574-D607 WeakPolarHBondContact CG-OD2 3.21Å; D607-A614 HydrophobicContact CB-CB 4.35Å; D607-L616 HydrophobicContact CB-CD2 4.14Å
608	R	91	Very high	89.5	Confident	171 Å²	171	57.5 Å²	57.5	65%	0.645	30%	0.297	S	S	*	.	S	Bend	trans	-103.5	-37.3	174	-76.4	179.6	160.4	-158.2	-7	113	E536 N572	E536-R608 HydrophobicContact CG-CB 3.88Å; N572-R608 HydrophobicContact CB-CB 3.96Å; N572-R608 VanDerWaalsContact OD1-CD 3.27Å; N572-R608 WeakPolarHBondContact OD1-CD 3.31Å
609	D	92.5	Very high	89.7	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.032	30%	0.297	C	S	.	.	S	Bend	trans	-54.6	-178	174.1	-51.6	2.5	0	0	0	111.6	D568 N570 D571 N572 N613 A614	D568-D609 WeakPolarHBondContact OD1-CA 3.36Å; N570-D609 WeakPolarHBondContact CA-OD2 3.37Å; D571-D609 PolarHBondContact N-OD2 2.92Å; D571-D609 VanDerWaalsContact N-OD2 3.1Å; N572-D609 WeakPolarHBondContact CB-OD1 3.39Å; N572-D609 PolarHBondContact N-OD1 3.24Å; N572-D609 VanDerWaalsContact N-OD1 3.13Å; N572-D609 PolarHBondContact N-OD2 2.75Å; N572-D609 PolarHBondContact ND2-OD1 3.42Å; D609-N613 HydrophobicContact CB-CB 3.52Å; D609-A614 VanDerWaalsContact O-CB 3.23Å; D609-A614 WeakPolarHBondContact O-CB 3.4Å
610	S	89.5	Confident	89.8	Confident	47 Å²	47	53.5 Å²	53.5	33%	0.329	29%	0.287	S	S	.	.			trans	-124.6	169.6	-172.6	-71.1	0	0	0	0	113.7	H535 D568 V612 N613 A614	H535-S610 PolarHBondContact NE2-OG 3.35Å; D568-S610 VanDerWaalsContact CG-N 3.26Å; D568-S610 VanDerWaalsContact OD1-CB 3.27Å; D568-S610 WeakPolarHBondContact OD1-CB 3.26Å; D568-S610 PolarHBondContact OD1-N 3.32Å; D568-S610 PolarHBondContact OD2-N 3.45Å; D568-S610 VanDerWaalsContact OD2-N 3.13Å; D568-S610 VanDerWaalsContact OD2-O 3.07Å; S610-V612 PolarHBondContact O-N 3.41Å; S610-N613 WeakPolarHBondContact O-CB 3.42Å; S610-N613 PolarHBondContact O-N 3.27Å; S610-A614 PolarHBondContact O-N 2.82Å
611	G	88.3	Confident	89.8	Confident	69 Å²	69	57.2 Å²	57.2	71%	0.711	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	-109.2	171.6	0	0	0	0	0	114.5
612	V	88.3	Confident	89.6	Confident	89 Å²	89	58.5 Å²	58.5	54%	0.539	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-24.8	-179.7	-66.4	0	0	0	0	113.3	S610 A614 E615 K661	S610-V612 PolarHBondContact O-N 3.41Å; V612-A614 VanDerWaalsContact C-N 3.31Å; V612-E615 PolarHBondContact O-N 3.1Å; V612-E615 VanDerWaalsContact O-N 3.1Å; V612-K661 CarbonylContact O-C 3.55Å
613	N	88.6	Confident	89.3	Confident	14 Å²	14	53.9 Å²	53.9	8%	0.075	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-34.9	176.6	-59.7	-11.9	0	0	0	109.4	D568 E569 N570 D609 S610 E615 D660 G662	D568-N613 WeakPolarHBondContact OD2-CB 3.27Å; D568-N613 PolarHBondContact OD2-ND2 3.05Å; E569-N613 PolarHBondContact O-ND2 2.86Å; N570-N613 HydrophobicContact CB-CB 4.13Å; N570-N613 PolarHBondContact N-ND2 3.02Å; N570-N613 WeakPolarHBondContact OD1-CA 3.3Å; N570-N613 WeakPolarHBondContact OD1-CB 3.05Å; D609-N613 HydrophobicContact CB-CB 3.52Å; S610-N613 WeakPolarHBondContact O-CB 3.42Å; S610-N613 PolarHBondContact O-N 3.27Å; N613-E615 VanDerWaalsContact C-N 3.35Å; N613-E615 PolarHBondContact O-N 2.93Å; N613-D660 WeakPolarHBondContact O-CB 3.26Å; N613-G662 WeakPolarHBondContact OD1-CA 3.38Å
614	A	88.7	Confident	89.1	Confident	36 Å²	36	54.7 Å²	54.7	30%	0.298	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.2	168.3	0	0	0	0	0	115.8	D607 D609 S610 V612 L616	D607-A614 HydrophobicContact CB-CB 4.35Å; D609-A614 VanDerWaalsContact O-CB 3.23Å; D609-A614 WeakPolarHBondContact O-CB 3.4Å; S610-A614 PolarHBondContact O-N 2.82Å; V612-A614 VanDerWaalsContact C-N 3.31Å; A614-L616 VanDerWaalsContact C-N 3.3Å; A614-L616 PolarHBondContact O-N 3.05Å
615	E	90.7	Very high	88.5	Confident	87 Å²	87	55.7 Å²	55.7	41%	0.407	33%	0.33	S	S	.	.			trans	-82.5	74.6	-172	-152.5	-148.2	156	0	0	112.1	V612 N613 K661	V612-E615 PolarHBondContact O-N 3.1Å; V612-E615 VanDerWaalsContact O-N 3.1Å; N613-E615 VanDerWaalsContact C-N 3.35Å; N613-E615 PolarHBondContact O-N 2.93Å; E615-K661 HydrophobicContact CB-CD 4.37Å; E615-K661 WeakPolarHBondContact O-CE 3.19Å; E615-K661 WeakPolarHBondContact O-CG 3.49Å; E615-K661 IonicContact OE1-NZ 3.74Å; E615-K661 PolarHBondContact OE1-NZ 2.87Å; E615-K661 WeakPolarHBondContact OE2-CD 3.26Å; E615-K661 IonicContact OE2-NZ 2.84Å; E615-K661 PolarHBondContact OE2-NZ 3.34Å
616	L	91.1	Very high	87.8	Confident	32 Å²	32	59.8 Å²	59.8	17%	0.168	35%	0.345	C	S	.	.			trans	-55.2	147.2	-175.8	-57.4	-171.2	0	0	0	114.4	P574 A605 D607 A614 I658	P574-L616 HydrophobicContact CB-CD1 4.5Å; P574-L616 HydrophobicContact CB-CD2 3.71Å; P574-L616 HydrophobicContact CG-CD2 3.65Å; A605-L616 HydrophobicContact CB-CD1 3.6Å; D607-L616 HydrophobicContact CB-CD2 4.14Å; A614-L616 VanDerWaalsContact C-N 3.3Å; A614-L616 PolarHBondContact O-N 3.05Å; L616-I658 HydrophobicContact CD1-CG2 4.43Å
617	S	91.5	Very high	87.4	Confident	21 Å²	21	60.6 Å²	60.6	15%	0.147	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.4	170.6	63.2	0	0	0	0	112.1	P633 Q659	S617-P633 WeakPolarHBondContact CA-O 3.45Å; S617-P633 WeakPolarHBondContact CB-O 3.49Å; S617-Q659 PolarHBondContact N-O 2.9Å; S617-Q659 PolarHBondContact O-N 2.86Å; S617-Q659 VanDerWaalsContact O-O 3.09Å; S617-Q659 PolarHBondContact OG-O 2.82Å
618	C	91.8	Very high	87	Confident	4 Å²	4	59.8 Å²	59.8	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.6	-173.1	-63.5	0	0	0	0	112.8	I631 P633 C636 I657	C618-I631 HydrophobicContact CB-CD1 3.58Å; C618-I631 HydrophobicContact CB-CG1 4.29Å; C618-P633 PolarHBondContact N-O 2.78Å; C618-P633 WeakPolarHBondContact O-CA 3.03Å; C618-C636 HydrophobicContact CB-CB 3.74Å; C618-C636 WeakPolarHBondContact CB-SG 3.44Å; C618-C636 WeakPolarHBondContact SG-CB 3.44Å; C618-C636 CovalentContact SG-SG 2.03Å; C618-C636 PolarHBondContact SG-SG 2.94Å; C618-I657 WeakPolarHBondContact CA-O 3.42Å
619	A	90.7	Very high	86.9	Confident	40 Å²	40	51.8 Å²	51.8	33%	0.331	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.9	177	0	0	0	0	0	112.4	V656 I657	A619-V656 WeakPolarHBondContact O-CA 3.41Å; A619-V656 VanDerWaalsContact O-CG1 3.31Å; A619-V656 WeakPolarHBondContact O-CG1 3.17Å; A619-I657 HydrophobicContact CB-CG2 3.93Å; A619-I657 PolarHBondContact N-O 2.84Å; A619-I657 PolarHBondContact O-N 2.72Å
620	I	89.3	Confident	86.7	Confident	35 Å²	35	55.5 Å²	55.5	18%	0.179	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.6	171.1	-58.3	164.4	0	0	0	107.9	N624 F629 I631 V656	I620-N624 HydrophobicContact CG2-CB 3.71Å; I620-F629 HydrophobicContact CD1-CB 3.95Å; I620-I631 HydrophobicContact CD1-CB 4.06Å; I620-I631 HydrophobicContact CD1-CG2 4.16Å; I620-I631 HydrophobicContact CG1-CB 4.1Å; I620-I631 HydrophobicContact CG1-CG2 3.88Å; I620-V656 HydrophobicContact CG1-CG2 4.33Å
621	V	87.5	Confident	86.7	Confident	93 Å²	93	54.4 Å²	54.4	56%	0.564	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	-30.9	-173.2	-178	0	0	0	0	112.6	S655 I657	V621-S655 PolarHBondContact N-O 2.89Å; V621-I657 HydrophobicContact CG2-CB 3.66Å; V621-I657 HydrophobicContact CG2-CG2 3.4Å; V621-I657 VanDerWaalsContact CG2-CG2 3.4Å
622	A	83.4	Confident	86.8	Confident	50 Å²	50	54.4 Å²	54.4	41%	0.413	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166.4	176	0	0	0	0	0	111.8	S655	A622-S655 PolarHBondContact N-O 2.81Å; A622-S655 PolarHBondContact O-N 2.76Å
623	G	81.9	Confident	86.7	Confident	28 Å²	28	53.8 Å²	53.8	29%	0.289	31%	0.307	S	S	.	.	S	Bend	trans	88.4	1.8	179.6	0	0	0	0	0	115.2	L654	G623-L654 WeakPolarHBondContact O-CD2 3.34Å
624	N	84.5	Confident	86.6	Confident	23 Å²	23	62.7 Å²	62.7	12%	0.123	34%	0.339	C	S	.	.			trans	-123.1	42.7	-174.5	-170.1	35.9	0	0	0	112.1	I620 E626 N627 I628 F629 L654	I620-N624 HydrophobicContact CG2-CB 3.71Å; N624-E626 PolarHBondContact O-N 2.68Å; N624-N627 PolarHBondContact O-N 3.36Å; N624-I628 PolarHBondContact OD1-N 2.97Å; N624-F629 PolarHBondContact ND2-O 3.48Å; N624-F629 PolarHBondContact OD1-N 2.63Å; N624-L654 HydrophobicContact CB-CD2 4.18Å
625	E	76.7	Confident	86.5	Confident	188 Å²	188	63 Å²	63	88%	0.879	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.9	-168.3	-59.8	-176.3	179.4	0	0	113.6
626	E	75.9	Confident	86.4	Confident	111 Å²	111	59.4 Å²	59.4	52%	0.519	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	5.5	176.5	-64.7	-174.6	160.5	0	0	113.6	N624 I628	N624-E626 PolarHBondContact O-N 2.68Å; E626-I628 VanDerWaalsContact C-N 3.26Å; E626-I628 HydrophobicContact CB-CD1 3.94Å; E626-I628 HydrophobicContact CB-CG1 3.91Å; E626-I628 PolarHBondContact O-N 2.82Å
627	N	82.7	Confident	86.4	Confident	105 Å²	105	58.5 Å²	58.5	56%	0.561	32%	0.319	S	S	*	.			trans	53.6	37.5	-172.4	-59.6	-75.6	0	0	0	113.9	N624 F629 N641	N624-N627 PolarHBondContact O-N 3.36Å; N627-F629 PolarHBondContact O-N 3.37Å; N627-N641 VanDerWaalsContact O-CB 3.26Å; N627-N641 WeakPolarHBondContact O-CB 3.14Å; N627-N641 PolarHBondContact O-ND2 2.75Å
628	I	82.9	Confident	86.3	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.036	31%	0.312	C	S	.	.			trans	-64.1	-30	177.4	-65.7	155.2	0	0	0	111.4	N624 E626 N641 V647 W652	N624-I628 PolarHBondContact OD1-N 2.97Å; E626-I628 VanDerWaalsContact C-N 3.26Å; E626-I628 HydrophobicContact CB-CD1 3.94Å; E626-I628 HydrophobicContact CB-CG1 3.91Å; E626-I628 PolarHBondContact O-N 2.82Å; I628-N641 WeakPolarHBondContact O-CB 3.27Å; I628-N641 PolarHBondContact O-N 2.84Å; I628-V647 HydrophobicContact CD1-CG1 3.78Å; I628-V647 HydrophobicContact CG1-CG1 4.36Å; I628-W652 HydrophobicContact CD1-CZ2 4.45Å
629	F	87.8	Confident	86.2	Confident	2 Å²	2	60 Å²	60	1%	0.009	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.8	-179.8	-58	-82.8	0	0	0	111.6	I590 V600 I620 N624 N627 I638 H639 M644 W652 L654 C674	I590-F629 HydrophobicContact CD1-CE1 3.66Å; I590-F629 HydrophobicContact CD1-CZ 4.02Å; V600-F629 HydrophobicContact CG2-CD1 4.19Å; V600-F629 HydrophobicContact CG2-CE1 4.07Å; I620-F629 HydrophobicContact CD1-CB 3.95Å; N624-F629 PolarHBondContact ND2-O 3.48Å; N624-F629 PolarHBondContact OD1-N 2.63Å; N627-F629 PolarHBondContact O-N 3.37Å; F629-I638 HydrophobicContact CB-CG2 4.21Å; F629-I638 HydrophobicContact CD1-CG2 4.09Å; F629-H639 WeakPolarHBondContact CA-O 3.12Å; F629-M644 HydrophobicContact CE1-CE 4.29Å; F629-M644 HydrophobicContact CZ-CE 4.05Å; F629-W652 HydrophobicContact CE2-CB 4.23Å; F629-W652 AromaticContact CE2-CD2 3.87Å; F629-W652 HydrophobicContact CE2-CD2 3.87Å; F629-W652 HydrophobicContact CE2-CE3 4.26Å; F629-W652 AromaticContact CE2-CG 3.83Å; F629-W652 HydrophobicContact CE2-CG 3.83Å; F629-W652 HydrophobicContact CZ-CD2 4.04Å; F629-W652 AromaticContact CZ-CE3 3.94Å; F629-W652 HydrophobicContact CZ-CE3 3.94Å; F629-W652 HydrophobicContact CZ-CG 4.39Å; F629-W652 HydrophobicContact CZ-CZ3 4.48Å; F629-L654 HydrophobicContact CB-CD1 4.2Å; F629-L654 HydrophobicContact CD1-CD1 4.11Å; F629-L654 HydrophobicContact CD2-CD1 3.67Å; F629-L654 HydrophobicContact CD2-CD2 3.62Å; F629-L654 HydrophobicContact CD2-CG 4.23Å; F629-L654 HydrophobicContact CE1-CD1 4.43Å; F629-L654 HydrophobicContact CE2-CD1 4.02Å; F629-L654 HydrophobicContact CE2-CD2 3.95Å; F629-L654 HydrophobicContact CE2-CG 4.4Å; F629-L654 HydrophobicContact CG-CD1 3.71Å; F629-L654 HydrophobicContact CG-CD2 4.4Å; F629-L654 HydrophobicContact CZ-CD1 4.38Å; F629-C674 HydrophobicContact CZ-CB 4.32Å
630	I	88.7	Confident	86	Confident	85 Å²	85	58.3 Å²	58.3	44%	0.436	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.3	169.9	-70.2	167.1	0	0	0	107.6	I638 H639 N641	I630-I638 CarbonylContact O-C 3.59Å; I630-I638 WeakPolarHBondContact O-CA 3.37Å; I630-H639 PolarHBondContact N-O 2.84Å; I630-H639 PolarHBondContact O-N 2.87Å; I630-N641 HydrophobicContact CD1-CB 3.81Å; I630-N641 HydrophobicContact CG1-CB 4.06Å
631	I	90.3	Very high	85.9	Confident	23 Å²	23	59.7 Å²	59.7	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.3	170.6	-167.4	165.5	0	0	0	109.6	I603 C618 I620 D637 I638 V656	I603-I631 HydrophobicContact CD1-CD1 4.45Å; C618-I631 HydrophobicContact CB-CD1 3.58Å; C618-I631 HydrophobicContact CB-CG1 4.29Å; I620-I631 HydrophobicContact CD1-CB 4.06Å; I620-I631 HydrophobicContact CD1-CG2 4.16Å; I620-I631 HydrophobicContact CG1-CB 4.1Å; I620-I631 HydrophobicContact CG1-CG2 3.88Å; I631-D637 WeakPolarHBondContact CA-O 3.42Å; I631-I638 HydrophobicContact CB-CG1 4.17Å; I631-I638 HydrophobicContact CD1-CD1 4.19Å; I631-I638 HydrophobicContact CD1-CG1 3.76Å; I631-I638 HydrophobicContact CG1-CG1 3.84Å; I631-V656 HydrophobicContact CD1-CG1 3.7Å
632	D	89.6	Confident	85.6	Confident	69 Å²	69	57.8 Å²	57.8	37%	0.369	31%	0.305	S	S	.	.			trans	-73.9	121	165	-176.9	-54.4	0	0	0	108.5	R634 S635 C636 D637	D632-R634 PolarHBondContact O-N 2.9Å; D632-R634 WeakPolarHBondContact OD1-CA 3.05Å; D632-R634 PolarHBondContact OD1-N 2.95Å; D632-S635 VanDerWaalsContact CB-OG 3.3Å; D632-S635 WeakPolarHBondContact CB-OG 3.4Å; D632-S635 PolarHBondContact OD1-N 3.38Å; D632-C636 VanDerWaalsContact O-CA 3.26Å; D632-C636 WeakPolarHBondContact O-CA 3.42Å; D632-C636 PolarHBondContact O-N 3.23Å; D632-D637 PolarHBondContact N-O 3.42Å
633	P	87.3	Confident	85.4	Confident	76 Å²	76	57.4 Å²	57.4	49%	0.494	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.8	-173.7	30.9	-36.5	0	0	0	114.5	S617 C618	S617-P633 WeakPolarHBondContact CA-O 3.45Å; S617-P633 WeakPolarHBondContact CB-O 3.49Å; C618-P633 PolarHBondContact N-O 2.78Å; C618-P633 WeakPolarHBondContact O-CA 3.03Å
634	R	86.4	Confident	85.3	Confident	202 Å²	202	56.2 Å²	56.2	76%	0.762	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-40.5	176.5	-69.3	179.9	176	153.6	-2.2	113.3	D632	D632-R634 PolarHBondContact O-N 2.9Å; D632-R634 WeakPolarHBondContact OD1-CA 3.05Å; D632-R634 PolarHBondContact OD1-N 2.95Å
635	S	86.6	Confident	84.7	Confident	42 Å²	42	60 Å²	60	29%	0.294	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.4	177.2	75.2	0	0	0	0	113.3	D632 D637	D632-S635 VanDerWaalsContact CB-OG 3.3Å; D632-S635 WeakPolarHBondContact CB-OG 3.4Å; D632-S635 PolarHBondContact OD1-N 3.38Å; S635-D637 VanDerWaalsContact CB-OD2 3.26Å; S635-D637 WeakPolarHBondContact CB-OD2 3.17Å; S635-D637 PolarHBondContact O-N 2.03Å; S635-D637 WeakPolarHBondContact OG-CB 3.31Å; S635-D637 PolarHBondContact OG-N 3.41Å; S635-D637 PolarHBondContact OG-OD2 2.85Å
636	C	88.9	Confident	84.3	Confident	11 Å²	11	55.1 Å²	55.1	7%	0.074	29%	0.293	C	S	.	.			trans	56.2	29.2	-175.9	-55.9	0	0	0	0	113.3	I603 C618 D632	I603-C636 HydrophobicContact CB-CB 4.03Å; I603-C636 PolarHBondContact N-O 2.79Å; I603-C636 WeakPolarHBondContact O-CB 3.5Å; C618-C636 HydrophobicContact CB-CB 3.74Å; C618-C636 WeakPolarHBondContact CB-SG 3.44Å; C618-C636 WeakPolarHBondContact SG-CB 3.44Å; C618-C636 CovalentContact SG-SG 2.03Å; C618-C636 PolarHBondContact SG-SG 2.94Å; D632-C636 VanDerWaalsContact O-CA 3.26Å; D632-C636 WeakPolarHBondContact O-CA 3.42Å; D632-C636 PolarHBondContact O-N 3.23Å
637	D	90.2	Very high	84.1	Confident	13 Å²	13	50.8 Å²	50.8	7%	0.07	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.5	174.7	-67.7	-41	0	0	0	111	H599 R602 I631 D632 S635 H639	H599-D637 IonicContact CD2-OD1 3.8Å; H599-D637 IonicContact NE2-OD1 2.65Å; R602-D637 VanDerWaalsContact CB-OD1 3.23Å; R602-D637 WeakPolarHBondContact CB-OD1 3.18Å; R602-D637 WeakPolarHBondContact CG-OD1 3.35Å; R602-D637 IonicContact CZ-OD1 3.41Å; R602-D637 VanDerWaalsContact CZ-OD1 3.25Å; R602-D637 IonicContact CZ-OD2 2.77Å; R602-D637 IonicContact NE-OD1 2.64Å; R602-D637 PolarHBondContact NE-OD1 2.94Å; R602-D637 IonicContact NE-OD2 3.56Å; R602-D637 VanDerWaalsContact NH2-CG 3.29Å; R602-D637 IonicContact NH2-OD1 2.75Å; R602-D637 PolarHBondContact NH2-OD1 3.09Å; R602-D637 IonicContact NH2-OD2 2.72Å; R602-D637 PolarHBondContact NH2-OD2 3.19Å; I631-D637 WeakPolarHBondContact CA-O 3.42Å; D632-D637 PolarHBondContact N-O 3.42Å; S635-D637 VanDerWaalsContact CB-OD2 3.26Å; S635-D637 WeakPolarHBondContact CB-OD2 3.17Å; S635-D637 PolarHBondContact O-N 2.03Å; S635-D637 WeakPolarHBondContact OG-CB 3.31Å; S635-D637 PolarHBondContact OG-N 3.41Å; S635-D637 PolarHBondContact OG-OD2 2.85Å; D637-H639 WeakPolarHBondContact CB-CE1 3.43Å; D637-H639 PolarHBondContact O-ND1 2.87Å
638	I	89.7	Confident	83.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.5	175.7	-59.8	176.4	0	0	0	108.9	V600 T601 I603 F629 I630 I631 V656 L672	V600-I638 HydrophobicContact CB-CB 4.36Å; V600-I638 HydrophobicContact CB-CG2 4.1Å; V600-I638 WeakPolarHBondContact CB-O 3.17Å; V600-I638 HydrophobicContact CG1-CG2 4.46Å; V600-I638 HydrophobicContact CG2-CG2 4.45Å; V600-I638 PolarHBondContact N-O 3.45Å; T601-I638 HydrophobicContact CG2-CB 4.49Å; T601-I638 HydrophobicContact CG2-CD1 4.18Å; T601-I638 PolarHBondContact O-N 2.91Å; I603-I638 HydrophobicContact CD1-CD1 4.19Å; I603-I638 HydrophobicContact CG1-CD1 4.5Å; F629-I638 HydrophobicContact CB-CG2 4.21Å; F629-I638 HydrophobicContact CD1-CG2 4.09Å; I630-I638 CarbonylContact O-C 3.59Å; I630-I638 WeakPolarHBondContact O-CA 3.37Å; I631-I638 HydrophobicContact CB-CG1 4.17Å; I631-I638 HydrophobicContact CD1-CD1 4.19Å; I631-I638 HydrophobicContact CD1-CG1 3.76Å; I631-I638 HydrophobicContact CG1-CG1 3.84Å; I638-V656 HydrophobicContact CD1-CG2 4.09Å; I638-L672 HydrophobicContact CD1-CD1 3.34Å
639	H	89.9	Confident	83	Confident	58 Å²	58	56.8 Å²	56.8	27%	0.269	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.5	178.5	-60.9	87.1	0	0	0	110.7	F598 F629 I630 D637	F598-H639 CarbonylContact O-C 3.56Å; F598-H639 VanDerWaalsContact O-CA 3.26Å; F598-H639 WeakPolarHBondContact O-CA 3.26Å; F629-H639 WeakPolarHBondContact CA-O 3.12Å; I630-H639 PolarHBondContact N-O 2.84Å; I630-H639 PolarHBondContact O-N 2.87Å; D637-H639 WeakPolarHBondContact CB-CE1 3.43Å; D637-H639 PolarHBondContact O-ND1 2.87Å
640	T	86.6	Confident	82.3	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.2	164.6	57	0	0	0	0	110.2	E595 G597 F598 V600	E595-T640 PolarHBondContact O-OG1 2.72Å; G597-T640 WeakPolarHBondContact CA-O 3.19Å; G597-T640 PolarHBondContact N-O 2.84Å; G597-T640 PolarHBondContact N-OG1 3.42Å; F598-T640 HydrophobicContact CB-CG2 4.25Å; F598-T640 WeakPolarHBondContact CB-OG1 3.21Å; F598-T640 PolarHBondContact N-OG1 2.93Å; F598-T640 PolarHBondContact O-N 3.01Å; V600-T640 HydrophobicContact CG2-CG2 4Å
641	N	85.8	Confident	82	Confident	65 Å²	65	61.8 Å²	61.8	35%	0.348	33%	0.332	S	S	.	.	S	Bend	trans	-96.2	-31.1	170.6	-172.5	24.4	0	0	0	111.1	S596 N627 I628 I630	S596-N641 WeakPolarHBondContact CB-O 3.33Å; S596-N641 PolarHBondContact OG-O 3.02Å; N627-N641 VanDerWaalsContact O-CB 3.26Å; N627-N641 WeakPolarHBondContact O-CB 3.14Å; N627-N641 PolarHBondContact O-ND2 2.75Å; I628-N641 WeakPolarHBondContact O-CB 3.27Å; I628-N641 PolarHBondContact O-N 2.84Å; I630-N641 HydrophobicContact CD1-CB 3.81Å; I630-N641 HydrophobicContact CG1-CB 4.06Å
642	V	81.9	Confident	81.8	Confident	53 Å²	53	61.6 Å²	61.6	32%	0.321	33%	0.33	S	S	.	.	S	Bend	trans	-119	150.8	-175.4	-175.4	0	0	0	0	109.6	M644 S646 V647	V642-M644 PolarHBondContact O-N 2.89Å; V642-S646 WeakPolarHBondContact CG1-OG 3.46Å; V642-V647 HydrophobicContact CG1-CG2 4.25Å
643	S	79.8	Confident	81.6	Confident	42 Å²	42	62.9 Å²	62.9	29%	0.294	33%	0.333	S	S	.	.			trans	-67.4	125.6	174.7	-173.6	0	0	0	0	110.7	A594 D645 S646	A594-S643 WeakPolarHBondContact O-CA 3.16Å; S643-D645 VanDerWaalsContact C-N 3.27Å; S643-D645 PolarHBondContact O-N 3.13Å; S643-S646 PolarHBondContact O-N 2.97Å; S643-S646 PolarHBondContact O-OG 3.23Å
644	M	79.8	Confident	81.7	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-68.3	-24.9	-168.1	-168.8	65.1	96.6	0	0	113.2	I590 K592 A594 F629 V642 S646 V647 W652 I676	I590-M644 HydrophobicContact CB-CE 4.28Å; I590-M644 HydrophobicContact CD1-CE 3.78Å; I590-M644 HydrophobicContact CG2-CE 3.85Å; K592-M644 CarbonylContact O-C 3.52Å; K592-M644 WeakPolarHBondContact O-CB 3.33Å; A594-M644 HydrophobicContact CB-CB 4.04Å; A594-M644 PolarHBondContact O-N 3.49Å; F629-M644 HydrophobicContact CE1-CE 4.29Å; F629-M644 HydrophobicContact CZ-CE 4.05Å; V642-M644 PolarHBondContact O-N 2.89Å; M644-S646 PolarHBondContact O-N 2.81Å; M644-S646 VanDerWaalsContact O-N 3.13Å; M644-V647 PolarHBondContact O-N 3.22Å; M644-V647 HydrophobicContact SD-CB 4.46Å; M644-V647 HydrophobicContact SD-CG2 4.36Å; M644-W652 HydrophobicContact CE-CE3 4.41Å; M644-W652 HydrophobicContact CE-CH2 3.67Å; M644-W652 HydrophobicContact CE-CZ3 3.58Å; M644-W652 HydrophobicContact SD-CH2 3.3Å; M644-W652 WeakPolarHBondContact SD-CH2 3.27Å; M644-W652 HydrophobicContact SD-CZ2 4.06Å; M644-W652 HydrophobicContact SD-CZ3 3.86Å; M644-I676 HydrophobicContact CG-CD1 3.8Å; M644-I676 HydrophobicContact CG-CG1 3.99Å; M644-I676 HydrophobicContact SD-CD1 4.02Å; M644-I676 HydrophobicContact SD-CG1 4.17Å
645	D	71.8	Confident	81.8	Confident	104 Å²	104	49.9 Å²	49.9	56%	0.556	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-59.6	-18.7	169.8	-78.4	-50.7	0	0	0	114.3	K592 S643	K592-D645 PolarHBondContact O-N 2.75Å; S643-D645 VanDerWaalsContact C-N 3.27Å; S643-D645 PolarHBondContact O-N 3.13Å
646	S	67.1	Low	82	Confident	85 Å²	85	47.9 Å²	47.9	59%	0.594	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-98.9	-1.5	-176.2	68.5	0	0	0	0	114.9	V642 S643 M644	V642-S646 WeakPolarHBondContact CG1-OG 3.46Å; S643-S646 PolarHBondContact O-N 2.97Å; S643-S646 PolarHBondContact O-OG 3.23Å; M644-S646 PolarHBondContact O-N 2.81Å; M644-S646 VanDerWaalsContact O-N 3.13Å
647	V	71.6	Confident	82.2	Confident	20 Å²	20	48.6 Å²	48.6	12%	0.121	26%	0.264	C	S	.	.			trans	-103.2	133.6	-173.6	-164.9	0	0	0	0	110.4	I628 V642 M644 Y649 W652	I628-V647 HydrophobicContact CD1-CG1 3.78Å; I628-V647 HydrophobicContact CG1-CG1 4.36Å; V642-V647 HydrophobicContact CG1-CG2 4.25Å; M644-V647 PolarHBondContact O-N 3.22Å; M644-V647 HydrophobicContact SD-CB 4.46Å; M644-V647 HydrophobicContact SD-CG2 4.36Å; V647-Y649 VanDerWaalsContact C-N 3.34Å; V647-Y649 HydrophobicContact CG1-CD2 4.39Å; V647-Y649 PolarHBondContact O-N 2.89Å; V647-W652 HydrophobicContact CB-CZ2 4.39Å; V647-W652 HydrophobicContact CG1-CZ2 3.74Å
648	P	68.1	Low	82.2	Confident	107 Å²	107	48 Å²	48	70%	0.695	26%	0.261	S	S	*	.	S	Bend	trans	-82.5	-5.1	-172.2	32.5	-36.7	0	0	0	115
649	Y	75.8	Confident	82.3	Confident	131 Å²	131	50.2 Å²	50.2	51%	0.514	27%	0.271	S	S	.	.			trans	-99.8	149.2	-177	-60.5	-77.6	0	0	0	111.4	V647 W652 I676	V647-Y649 VanDerWaalsContact C-N 3.34Å; V647-Y649 HydrophobicContact CG1-CD2 4.39Å; V647-Y649 PolarHBondContact O-N 2.89Å; Y649-W652 WeakPolarHBondContact O-CH2 3.4Å; Y649-W652 WeakPolarHBondContact O-CZ2 3.26Å; Y649-I676 VanDerWaalsContact O-CD1 3.32Å; Y649-I676 WeakPolarHBondContact O-CD1 3.39Å
650	T	73.1	Confident	82.5	Confident	105 Å²	105	47.5 Å²	47.5	64%	0.644	26%	0.259	S	S	*	.	S	Bend	trans	-111.5	-12.7	-178.1	56	0	0	0	0	114.4	M675 I676	T650-M675 WeakPolarHBondContact O-CA 3.43Å; T650-I676 PolarHBondContact O-N 3.43Å
651	E	81.8	Confident	82.6	Confident	86 Å²	86	50.7 Å²	50.7	40%	0.402	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.6	176.3	-176	178.6	-174.9	0	0	109.8	K673 C674 M675	E651-K673 IonicContact OE1-NZ 2.66Å; E651-K673 PolarHBondContact OE1-NZ 2.87Å; E651-C674 CarbonylContact C-O 3.58Å; E651-C674 VanDerWaalsContact CA-O 3.26Å; E651-C674 WeakPolarHBondContact CA-O 3.37Å; E651-M675 HydrophobicContact CB-CG 4.39Å; E651-M675 HydrophobicContact CG-CG 4Å
652	W	85.8	Confident	82.7	Confident	20 Å²	20	47.9 Å²	47.9	8%	0.076	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.2	169.1	-58.1	-96.1	0	0	0	110.6	I628 F629 M644 V647 Y649 L654 K673 C674 I676	I628-W652 HydrophobicContact CD1-CZ2 4.45Å; F629-W652 HydrophobicContact CE2-CB 4.23Å; F629-W652 AromaticContact CE2-CD2 3.87Å; F629-W652 HydrophobicContact CE2-CD2 3.87Å; F629-W652 HydrophobicContact CE2-CE3 4.26Å; F629-W652 AromaticContact CE2-CG 3.83Å; F629-W652 HydrophobicContact CE2-CG 3.83Å; F629-W652 HydrophobicContact CZ-CD2 4.04Å; F629-W652 AromaticContact CZ-CE3 3.94Å; F629-W652 HydrophobicContact CZ-CE3 3.94Å; F629-W652 HydrophobicContact CZ-CG 4.39Å; F629-W652 HydrophobicContact CZ-CZ3 4.48Å; M644-W652 HydrophobicContact CE-CE3 4.41Å; M644-W652 HydrophobicContact CE-CH2 3.67Å; M644-W652 HydrophobicContact CE-CZ3 3.58Å; M644-W652 HydrophobicContact SD-CH2 3.3Å; M644-W652 WeakPolarHBondContact SD-CH2 3.27Å; M644-W652 HydrophobicContact SD-CZ2 4.06Å; M644-W652 HydrophobicContact SD-CZ3 3.86Å; V647-W652 HydrophobicContact CB-CZ2 4.39Å; V647-W652 HydrophobicContact CG1-CZ2 3.74Å; Y649-W652 WeakPolarHBondContact O-CH2 3.4Å; Y649-W652 WeakPolarHBondContact O-CZ2 3.26Å; W652-L654 HydrophobicContact CB-CD2 4.15Å; W652-L654 HydrophobicContact CB-CG 4.42Å; W652-K673 CarbonylContact O-C 3.5Å; W652-K673 WeakPolarHBondContact O-CA 3.43Å; W652-C674 HydrophobicContact CB-CB 4.44Å; W652-C674 HydrophobicContact CE3-CB 4.22Å; W652-C674 PolarHBondContact N-O 2.79Å; W652-C674 PolarHBondContact O-N 3.05Å; W652-I676 HydrophobicContact CH2-CD1 3.94Å; W652-I676 HydrophobicContact CH2-CG1 3.88Å; W652-I676 HydrophobicContact CZ3-CD1 4.41Å; W652-I676 HydrophobicContact CZ3-CG1 3.83Å
653	E	86.6	Confident	82.8	Confident	95 Å²	95	52 Å²	52	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	86.4	170.8	-61.8	-164.5	153.2	0	0	109.9	S655 L671 L672 K673	E653-S655 PolarHBondContact O-N 2.82Å; E653-L671 HydrophobicContact CB-CD1 4.07Å; E653-L671 HydrophobicContact CB-CD2 4.31Å; E653-L671 HydrophobicContact CB-CG 4.22Å; E653-L672 WeakPolarHBondContact CA-O 3.41Å; E653-K673 HydrophobicContact CG-CG 4.26Å; E653-K673 WeakPolarHBondContact OE1-CE 3.47Å; E653-K673 IonicContact OE1-NZ 3.17Å; E653-K673 PolarHBondContact OE1-NZ 2.92Å
654	L	88.6	Confident	83.3	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	115.3	-178.9	-53.1	178.7	0	0	0	110.3	G623 N624 F629 W652 V656 L671 L672	G623-L654 WeakPolarHBondContact O-CD2 3.34Å; N624-L654 HydrophobicContact CB-CD2 4.18Å; F629-L654 HydrophobicContact CB-CD1 4.2Å; F629-L654 HydrophobicContact CD1-CD1 4.11Å; F629-L654 HydrophobicContact CD2-CD1 3.67Å; F629-L654 HydrophobicContact CD2-CD2 3.62Å; F629-L654 HydrophobicContact CD2-CG 4.23Å; F629-L654 HydrophobicContact CE1-CD1 4.43Å; F629-L654 HydrophobicContact CE2-CD1 4.02Å; F629-L654 HydrophobicContact CE2-CD2 3.95Å; F629-L654 HydrophobicContact CE2-CG 4.4Å; F629-L654 HydrophobicContact CG-CD1 3.71Å; F629-L654 HydrophobicContact CG-CD2 4.4Å; F629-L654 HydrophobicContact CZ-CD1 4.38Å; W652-L654 HydrophobicContact CB-CD2 4.15Å; W652-L654 HydrophobicContact CB-CG 4.42Å; L654-V656 HydrophobicContact CB-CG2 4.34Å; L654-V656 PolarHBondContact O-N 3.36Å; L654-L671 CarbonylContact O-C 3.49Å; L654-L671 WeakPolarHBondContact O-CA 3.23Å; L654-L672 HydrophobicContact CB-CB 4.26Å; L654-L672 PolarHBondContact N-O 2.88Å; L654-L672 PolarHBondContact O-N 3.29Å
655	S	89.3	Confident	83.8	Confident	5 Å²	5	59 Å²	59	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	95.9	172.1	165.4	0	0	0	0	109.3	V621 A622 E653 K669	V621-S655 PolarHBondContact N-O 2.89Å; A622-S655 PolarHBondContact N-O 2.81Å; A622-S655 PolarHBondContact O-N 2.76Å; E653-S655 PolarHBondContact O-N 2.82Å; S655-K669 WeakPolarHBondContact OG-CE 3.48Å; S655-K669 PolarHBondContact OG-NZ 2.88Å
656	V	90.4	Very high	84.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.1	176.7	-164.1	0	0	0	0	109.8	I603 A619 I620 I631 I638 L654 V670 L672	I603-V656 HydrophobicContact CD1-CB 3.99Å; I603-V656 HydrophobicContact CD1-CG1 3.61Å; I603-V656 HydrophobicContact CD1-CG2 4.21Å; A619-V656 WeakPolarHBondContact O-CA 3.41Å; A619-V656 VanDerWaalsContact O-CG1 3.31Å; A619-V656 WeakPolarHBondContact O-CG1 3.17Å; I620-V656 HydrophobicContact CG1-CG2 4.33Å; I631-V656 HydrophobicContact CD1-CG1 3.7Å; I638-V656 HydrophobicContact CD1-CG2 4.09Å; L654-V656 HydrophobicContact CB-CG2 4.34Å; L654-V656 PolarHBondContact O-N 3.36Å; V656-V670 PolarHBondContact N-O 3.06Å; V656-V670 PolarHBondContact O-N 2.74Å; V656-L672 HydrophobicContact CG2-CD1 3.77Å; V656-L672 HydrophobicContact CG2-CG 4.11Å
657	I	91.7	Very high	85.8	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.138	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.1	168.2	-161.1	168.5	0	0	0	108.9	C618 A619 V621 H667	C618-I657 WeakPolarHBondContact CA-O 3.42Å; A619-I657 HydrophobicContact CB-CG2 3.93Å; A619-I657 PolarHBondContact N-O 2.84Å; A619-I657 PolarHBondContact O-N 2.72Å; V621-I657 HydrophobicContact CG2-CB 3.66Å; V621-I657 HydrophobicContact CG2-CG2 3.4Å; V621-I657 VanDerWaalsContact CG2-CG2 3.4Å; I657-H667 HydrophobicContact CD1-CB 3.92Å; I657-H667 HydrophobicContact CG1-CB 3.81Å
658	I	92.1	Very high	86.7	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.6	171.5	-53.4	155.4	0	0	0	104.1	P574 V576 I603 A605 L616 H667 T668 V670	P574-I658 HydrophobicContact CB-CG2 3.88Å; V576-I658 HydrophobicContact CB-CD1 4.48Å; V576-I658 HydrophobicContact CG1-CD1 4.39Å; V576-I658 HydrophobicContact CG2-CD1 3.32Å; I603-I658 HydrophobicContact CG2-CD1 3.48Å; I603-I658 VanDerWaalsContact CG2-CD1 3.48Å; I603-I658 HydrophobicContact CG2-CG1 4.06Å; A605-I658 HydrophobicContact CB-CD1 4.45Å; A605-I658 HydrophobicContact CB-CG2 3.92Å; L616-I658 HydrophobicContact CD1-CG2 4.43Å; I658-H667 CarbonylContact O-C 3.57Å; I658-H667 WeakPolarHBondContact O-CA 3.32Å; I658-H667 WeakPolarHBondContact O-CB 3.11Å; I658-T668 PolarHBondContact N-O 3.38Å; I658-T668 PolarHBondContact O-N 3.43Å; I658-V670 HydrophobicContact CD1-CG2 3.74Å
659	Q	91.9	Very high	87.8	Confident	46 Å²	46	57.8 Å²	57.8	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.9	-174.9	56.7	168.6	93.4	0	0	110	S617 L666 H667	S617-Q659 PolarHBondContact N-O 2.9Å; S617-Q659 PolarHBondContact O-N 2.86Å; S617-Q659 VanDerWaalsContact O-O 3.09Å; S617-Q659 PolarHBondContact OG-O 2.82Å; Q659-L666 VanDerWaalsContact CA-O 3.31Å; Q659-L666 WeakPolarHBondContact CA-O 3.4Å; Q659-H667 HydrophobicContact CB-CB 3.76Å
660	D	92.8	Very high	88.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.262	C	S	.	.			trans	-69.6	-168.3	169	60.5	59.7	0	0	0	112.1	N570 N613 G662 Q665 L666	N570-D660 PolarHBondContact ND2-OD2 2.81Å; N570-D660 PolarHBondContact OD1-OD1 2.92Å; N570-D660 PolarHBondContact OD1-OD2 2.78Å; N613-D660 WeakPolarHBondContact O-CB 3.26Å; D660-G662 PolarHBondContact OD1-N 3Å; D660-Q665 VanDerWaalsContact OD1-CA 3.26Å; D660-Q665 WeakPolarHBondContact OD1-CA 3.38Å; D660-L666 PolarHBondContact N-O 2.97Å; D660-L666 PolarHBondContact OD1-N 3.27Å; D660-L666 VanDerWaalsContact OD2-C 3.3Å; D660-L666 WeakPolarHBondContact OD2-CA 3.11Å; D660-L666 VanDerWaalsContact OD2-CB 3.26Å; D660-L666 WeakPolarHBondContact OD2-CB 3.43Å; D660-L666 PolarHBondContact OD2-N 2.65Å
661	K	89.1	Confident	89.3	Confident	71 Å²	71	48.6 Å²	48.6	31%	0.309	24%	0.242	S	C	.	.	S	Bend	trans	-126.6	17.1	168.4	-63.6	177.1	-153.5	171.7	0	113	V612 E615	V612-K661 CarbonylContact O-C 3.55Å; E615-K661 HydrophobicContact CB-CD 4.37Å; E615-K661 WeakPolarHBondContact O-CE 3.19Å; E615-K661 WeakPolarHBondContact O-CG 3.49Å; E615-K661 IonicContact OE1-NZ 3.74Å; E615-K661 PolarHBondContact OE1-NZ 2.87Å; E615-K661 WeakPolarHBondContact OE2-CD 3.26Å; E615-K661 IonicContact OE2-NZ 2.84Å; E615-K661 PolarHBondContact OE2-NZ 3.34Å
662	G	86.8	Confident	89.6	Confident	6 Å²	6	44.5 Å²	44.5	6%	0.062	22%	0.223	C	C	.	.	S	Bend	trans	-74.1	-164.4	172.2	0	0	0	0	0	111.7	N570 N613 D660 Q665	N570-G662 VanDerWaalsContact OD1-CA 3.22Å; N570-G662 WeakPolarHBondContact OD1-CA 3.3Å; N570-G662 PolarHBondContact OD1-N 2.67Å; N613-G662 WeakPolarHBondContact OD1-CA 3.38Å; D660-G662 PolarHBondContact OD1-N 3Å; G662-Q665 WeakPolarHBondContact O-CG 3.48Å
663	N	85.6	Confident	89.6	Confident	139 Å²	139	45.8 Å²	45.8	74%	0.743	23%	0.229	S	C	*	.	S	Bend	trans	-150.2	107.5	-176.5	175.4	64	0	0	0	110.6
664	P	89.5	Confident	89.6	Confident	85 Å²	85	41.2 Å²	41.2	55%	0.552	21%	0.207	S	C	*	.	S	Bend	cis	-70.2	149.4	7.8	31.3	-36.9	0	0	0	113	N570 L666	N570-P664 PolarHBondContact ND2-O 3.36Å; P664-L666 PolarHBondContact O-N 3.13Å
665	Q	89.9	Confident	89.3	Confident	105 Å²	105	44.2 Å²	44.2	49%	0.491	22%	0.222	S	C	.	.			trans	-73.5	114.9	174.1	-71.3	-177.1	-17.4	0	0	110.9	D660 G662	D660-Q665 VanDerWaalsContact OD1-CA 3.26Å; D660-Q665 WeakPolarHBondContact OD1-CA 3.38Å; G662-Q665 WeakPolarHBondContact O-CG 3.48Å
666	L	91.3	Very high	88.8	Confident	46 Å²	46	45.7 Å²	45.7	24%	0.241	23%	0.229	C	C	.	.			trans	-92.3	159.2	173.1	-58.9	179.6	0	0	0	110.3	N570 N572 I573 Q659 D660 P664	N570-L666 WeakPolarHBondContact ND2-CD1 3.15Å; N570-L666 WeakPolarHBondContact ND2-CG 3.26Å; N570-L666 VanDerWaalsContact O-CD1 3.26Å; N570-L666 WeakPolarHBondContact O-CD1 3.32Å; N572-L666 WeakPolarHBondContact O-CD1 3.12Å; I573-L666 HydrophobicContact CG2-CB 4.14Å; I573-L666 HydrophobicContact CG2-CD1 4.18Å; Q659-L666 VanDerWaalsContact CA-O 3.31Å; Q659-L666 WeakPolarHBondContact CA-O 3.4Å; D660-L666 PolarHBondContact N-O 2.97Å; D660-L666 PolarHBondContact OD1-N 3.27Å; D660-L666 VanDerWaalsContact OD2-C 3.3Å; D660-L666 WeakPolarHBondContact OD2-CA 3.11Å; D660-L666 VanDerWaalsContact OD2-CB 3.26Å; D660-L666 WeakPolarHBondContact OD2-CB 3.43Å; D660-L666 PolarHBondContact OD2-N 2.65Å; P664-L666 PolarHBondContact O-N 3.13Å
667	H	90.9	Very high	88.2	Confident	106 Å²	106	50.3 Å²	50.3	49%	0.491	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	147.4	-171.3	61.7	-94.9	0	0	0	114.7	I657 I658 Q659	I657-H667 HydrophobicContact CD1-CB 3.92Å; I657-H667 HydrophobicContact CG1-CB 3.81Å; I658-H667 CarbonylContact O-C 3.57Å; I658-H667 WeakPolarHBondContact O-CA 3.32Å; I658-H667 WeakPolarHBondContact O-CB 3.11Å; Q659-H667 HydrophobicContact CB-CB 3.76Å
668	T	90.8	Very high	86.9	Confident	22 Å²	22	55 Å²	55	14%	0.135	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.7	168	-71.1	0	0	0	0	110.5	P574 V576 I658 V670	P574-T668 WeakPolarHBondContact O-CB 3.26Å; P574-T668 PolarHBondContact O-OG1 3.47Å; V576-T668 HydrophobicContact CG2-CG2 3.86Å; I658-T668 PolarHBondContact N-O 3.38Å; I658-T668 PolarHBondContact O-N 3.43Å; T668-V670 HydrophobicContact CG2-CG2 4.35Å
669	K	89.6	Confident	85.1	Confident	117 Å²	117	64 Å²	64	51%	0.509	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.7	174.5	171.4	165.1	165.3	147.8	0	111.1	N584 S655	N584-K669 PolarHBondContact ND2-O 3.26Å; S655-K669 WeakPolarHBondContact OG-CE 3.48Å; S655-K669 PolarHBondContact OG-NZ 2.88Å
670	V	90.1	Very high	82.8	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.2	178.2	-176.5	0	0	0	0	109.7	V576 L581 V656 I658 T668 L672	V576-V670 HydrophobicContact CG2-CG2 3.81Å; L581-V670 HydrophobicContact CD1-CG1 4.18Å; L581-V670 HydrophobicContact CD1-CG2 3.93Å; L581-V670 HydrophobicContact CD2-CG1 3.64Å; V656-V670 PolarHBondContact N-O 3.06Å; V656-V670 PolarHBondContact O-N 2.74Å; I658-V670 HydrophobicContact CD1-CG2 3.74Å; T668-V670 HydrophobicContact CG2-CG2 4.35Å; V670-L672 HydrophobicContact CG1-CD2 3.6Å; V670-L672 HydrophobicContact CG1-CG 4.26Å
671	L	89.9	Confident	80	Confident	43 Å²	43	75.7 Å²	75.7	23%	0.225	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.9	169.4	-162.3	75.1	0	0	0	109.9	N584 T585 A586 E653 L654	N584-L671 PolarHBondContact O-N 3.43Å; T585-L671 CarbonylContact C-O 3.51Å; T585-L671 WeakPolarHBondContact CA-O 3.46Å; T585-L671 HydrophobicContact CG2-CB 4.11Å; T585-L671 HydrophobicContact CG2-CD2 4.08Å; A586-L671 PolarHBondContact N-O 3Å; E653-L671 HydrophobicContact CB-CD1 4.07Å; E653-L671 HydrophobicContact CB-CD2 4.31Å; E653-L671 HydrophobicContact CB-CG 4.22Å; L654-L671 CarbonylContact O-C 3.49Å; L654-L671 WeakPolarHBondContact O-CA 3.23Å
672	L	88.5	Confident	77.5	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.1	176.8	-55.8	-178.6	0	0	0	110	P579 A586 I588 T601 I603 I638 E653 L654 V656 V670 C674	P579-L672 HydrophobicContact CG-CD2 4.23Å; A586-L672 HydrophobicContact CB-CD2 3.89Å; A586-L672 CarbonylContact O-C 3.55Å; A586-L672 WeakPolarHBondContact O-CA 3.26Å; I588-L672 HydrophobicContact CD1-CB 4.01Å; I588-L672 HydrophobicContact CD1-CD1 3.89Å; I588-L672 HydrophobicContact CD1-CD2 4.04Å; I588-L672 HydrophobicContact CD1-CG 4.2Å; T601-L672 HydrophobicContact CG2-CD1 4.24Å; I603-L672 HydrophobicContact CD1-CD1 4.16Å; I603-L672 HydrophobicContact CG1-CD1 4.48Å; I638-L672 HydrophobicContact CD1-CD1 3.34Å; E653-L672 WeakPolarHBondContact CA-O 3.41Å; L654-L672 HydrophobicContact CB-CB 4.26Å; L654-L672 PolarHBondContact N-O 2.88Å; L654-L672 PolarHBondContact O-N 3.29Å; V656-L672 HydrophobicContact CG2-CD1 3.77Å; V656-L672 HydrophobicContact CG2-CG 4.11Å; V670-L672 HydrophobicContact CG1-CD2 3.6Å; V670-L672 HydrophobicContact CG1-CG 4.26Å; L672-C674 PolarHBondContact O-N 2.79Å
673	K	86.8	Confident	75.2	Confident	46 Å²	46	83.6 Å²	83.6	20%	0.2	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	89.3	171	-82.3	-176.3	162.9	-72.3	0	109.1	A586 E587 I588 E651 W652 E653	A586-K673 PolarHBondContact O-N 3.22Å; E587-K673 WeakPolarHBondContact CA-O 3.38Å; E587-K673 HydrophobicContact CG-CB 4.17Å; E587-K673 HydrophobicContact CG-CD 4.46Å; I588-K673 PolarHBondContact N-O 2.78Å; E651-K673 IonicContact OE1-NZ 2.66Å; E651-K673 PolarHBondContact OE1-NZ 2.87Å; W652-K673 CarbonylContact O-C 3.5Å; W652-K673 WeakPolarHBondContact O-CA 3.43Å; E653-K673 HydrophobicContact CG-CG 4.26Å; E653-K673 WeakPolarHBondContact OE1-CE 3.47Å; E653-K673 IonicContact OE1-NZ 3.17Å; E653-K673 PolarHBondContact OE1-NZ 2.92Å
674	C	85.1	Confident	72.7	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.8	177.6	-65.6	0	0	0	0	109.1	I588 I590 F629 E651 W652 L672	I588-C674 CarbonylContact O-C 3.57Å; I588-C674 WeakPolarHBondContact O-CA 3.43Å; I590-C674 HydrophobicContact CD1-CB 3.89Å; F629-C674 HydrophobicContact CZ-CB 4.32Å; E651-C674 CarbonylContact C-O 3.58Å; E651-C674 VanDerWaalsContact CA-O 3.26Å; E651-C674 WeakPolarHBondContact CA-O 3.37Å; W652-C674 HydrophobicContact CB-CB 4.44Å; W652-C674 HydrophobicContact CE3-CB 4.22Å; W652-C674 PolarHBondContact N-O 2.79Å; W652-C674 PolarHBondContact O-N 3.05Å; L672-C674 PolarHBondContact O-N 2.79Å
675	M	83.7	Confident	70.1	Confident	62 Å²	62	83.5 Å²	83.5	31%	0.305	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136	-178.6	-67.7	179.5	-74.4	0	0	111.3	E587 I588 T589 I590 T650 E651	E587-M675 HydrophobicContact CB-CE 4.09Å; E587-M675 HydrophobicContact CG-CE 4.22Å; I588-M675 PolarHBondContact O-N 3.48Å; T589-M675 WeakPolarHBondContact CA-O 3.06Å; I590-M675 PolarHBondContact N-O 2.76Å; T650-M675 WeakPolarHBondContact O-CA 3.43Å; E651-M675 HydrophobicContact CB-CG 4.39Å; E651-M675 HydrophobicContact CG-CG 4Å
676	I	78.8	Confident	67.4	Low	36 Å²	36	84.6 Å²	84.6	19%	0.185	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132.4	168.9	-63.1	-173.6	0	0	0	109.5	I590 K592 M644 Y649 T650 W652	I590-I676 CarbonylContact O-C 3.52Å; I590-I676 WeakPolarHBondContact O-CA 3.42Å; K592-I676 HydrophobicContact CB-CG2 3.69Å; K592-I676 HydrophobicContact CD-CG2 4.41Å; K592-I676 HydrophobicContact CG-CG2 3.92Å; M644-I676 HydrophobicContact CG-CD1 3.8Å; M644-I676 HydrophobicContact CG-CG1 3.99Å; M644-I676 HydrophobicContact SD-CD1 4.02Å; M644-I676 HydrophobicContact SD-CG1 4.17Å; Y649-I676 VanDerWaalsContact O-CD1 3.32Å; Y649-I676 WeakPolarHBondContact O-CD1 3.39Å; T650-I676 PolarHBondContact O-N 3.43Å; W652-I676 HydrophobicContact CH2-CD1 3.94Å; W652-I676 HydrophobicContact CH2-CG1 3.88Å; W652-I676 HydrophobicContact CZ3-CD1 4.41Å; W652-I676 HydrophobicContact CZ3-CG1 3.83Å
677	F	77.1	Confident	64.6	Low	97 Å²	97	86.5 Å²	86.5	43%	0.425	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	166.7	-170	-96.8	0	0	0	110.8	I590 K592 Y679	I590-F677 PolarHBondContact O-N 2.88Å; K592-F677 PolarHBondContact N-O 2.99Å; F677-Y679 AromaticContact CD1-CD2 3.72Å; F677-Y679 HydrophobicContact CD1-CD2 3.72Å; F677-Y679 AromaticContact CD1-CE2 3.66Å; F677-Y679 HydrophobicContact CD1-CE2 3.66Å; F677-Y679 HydrophobicContact CD1-CG 4.32Å; F677-Y679 HydrophobicContact CE1-CD1 4.03Å; F677-Y679 AromaticContact CE1-CD2 3.73Å; F677-Y679 HydrophobicContact CE1-CD2 3.73Å; F677-Y679 AromaticContact CE1-CE1 3.95Å; F677-Y679 HydrophobicContact CE1-CE1 3.95Å; F677-Y679 AromaticContact CE1-CE2 3.65Å; F677-Y679 HydrophobicContact CE1-CE2 3.65Å; F677-Y679 AromaticContact CE1-CG 3.93Å; F677-Y679 HydrophobicContact CE1-CG 3.93Å; F677-Y679 AromaticContact CE1-CZ 3.77Å
678	E	65.7	Low	61.8	Low	125 Å²	125	90 Å²	90	58%	0.584	50%	0.497	S	S	*	.			trans	-112.6	112.4	-178	-176.2	159.7	-161.6	0	0	110.1	K592 A680	K592-E678 HydrophobicContact CD-CB 4.13Å; K592-E678 HydrophobicContact CD-CG 3.87Å; K592-E678 WeakPolarHBondContact CD-OE1 3.19Å; K592-E678 WeakPolarHBondContact CD-OE2 3.16Å; K592-E678 IonicContact NZ-OE1 2.69Å; K592-E678 PolarHBondContact NZ-OE1 2.66Å; K592-E678 IonicContact NZ-OE2 2.74Å; K592-E678 PolarHBondContact NZ-OE2 3.35Å; E678-A680 PolarHBondContact O-N 2.65Å
679	Y	54.2	Low	59	Low	191 Å²	191	94.9 Å²	94.9	75%	0.749	53%	0.527	S	S	*	.			trans	-77.9	112	177.6	-88.3	-84.5	0	0	0	110.6	F677 E681	F677-Y679 AromaticContact CD1-CD2 3.72Å; F677-Y679 HydrophobicContact CD1-CD2 3.72Å; F677-Y679 AromaticContact CD1-CE2 3.66Å; F677-Y679 HydrophobicContact CD1-CE2 3.66Å; F677-Y679 HydrophobicContact CD1-CG 4.32Å; F677-Y679 HydrophobicContact CE1-CD1 4.03Å; F677-Y679 AromaticContact CE1-CD2 3.73Å; F677-Y679 HydrophobicContact CE1-CD2 3.73Å; F677-Y679 AromaticContact CE1-CE1 3.95Å; F677-Y679 HydrophobicContact CE1-CE1 3.95Å; F677-Y679 AromaticContact CE1-CE2 3.65Å; F677-Y679 HydrophobicContact CE1-CE2 3.65Å; F677-Y679 AromaticContact CE1-CG 3.93Å; F677-Y679 HydrophobicContact CE1-CG 3.93Å; F677-Y679 AromaticContact CE1-CZ 3.77Å; Y679-E681 PolarHBondContact O-N 2.83Å
680	A	42.1	Very low	56.3	Low	94 Å²	94	94 Å²	94	78%	0.777	54%	0.536	S	S	*	.			trans	-78.4	115.9	169.9	0	0	0	0	0	110.8	E678 S682	E678-A680 PolarHBondContact O-N 2.65Å; A680-S682 PolarHBondContact O-N 2.88Å
681	E	35.5	Very low	53.6	Low	197 Å²	197	100.8 Å²	100.8	92%	0.921	58%	0.576	S	S	*	*			trans	-69	124.3	178.6	-66.7	-165.9	130.7	0	0	112.6	Y679	Y679-E681 PolarHBondContact O-N 2.83Å
682	S	36.7	Very low	51.1	Low	117 Å²	117	103.5 Å²	103.5	82%	0.818	60%	0.599	S	S	*	*			trans	-153.8	162.6	160.3	59.1	0	0	0	0	110.3	A680	A680-S682 PolarHBondContact O-N 2.88Å
683	V	38.3	Very low	48.5	Very low	127 Å²	127	113 Å²	113	77%	0.77	64%	0.643	S	S	*	*			trans	-121.4	144.5	-145.1	177.9	0	0	0	0	114
684	T	33.1	Very low	46	Very low	122 Å²	122	115.4 Å²	115.4	75%	0.748	67%	0.672	S	S	*	*			trans	69.8	125.7	163.9	40.5	0	0	0	0	121.4
685	S	34.9	Very low	44	Very low	100 Å²	100	120.3 Å²	120.3	70%	0.699	71%	0.706	S	S	*	*			trans	31.6	138.3	139.8	63.2	0	0	0	0	120.8
686	T	31.9	Very low	42.2	Very low	128 Å²	128	124.9 Å²	124.9	79%	0.785	73%	0.731	S	S	*	*			cis	-169.3	148.3	46.1	-32.9	0	0	0	0	113.2
687	A	33.8	Very low	40.9	Very low	85 Å²	85	127.2 Å²	127.2	70%	0.702	74%	0.744	S	S	*	*			trans	46.5	134.9	149.9	0	0	0	0	0	124.7
688	M	31.4	Very low	40.1	Very low	180 Å²	180	127.2 Å²	127.2	89%	0.887	75%	0.752	S	S	*	*			trans	60.4	123.9	152.6	-66.4	-176.1	168	0	0	118.3
689	T	31	Very low	39.7	Very low	124 Å²	124	124 Å²	124	76%	0.761	74%	0.743	S	S	*	*				-154.2	132.4	63.2	26.8	0	0	0	0	110.7
690	S	33.1	Very low	39.9	Very low	100 Å²	100	120.3 Å²	120.3	70%	0.699	73%	0.734	S	S	*	*				73.3	151.1	80.8	87.9	0	0	0	0	115.7
691	V	33.9	Very low	40.8	Very low	142 Å²	142	120.9 Å²	120.9	86%	0.861	72%	0.723	S	S	*	*			trans	84.3	120.7	-169.2	-176	0	0	0	0	112.8
692	S	36.8	Very low	42.1	Very low	100 Å²	100	116.2 Å²	116.2	70%	0.699	70%	0.703	S	S	*	*			cis	-155.7	124.7	-16.1	48.3	0	0	0	0	110.8	A694	S692-A694 PolarHBondContact O-N 3.36Å
693	Q	34.9	Very low	43.5	Very low	200 Å²	200	115.7 Å²	115.7	94%	0.935	69%	0.69	S	S	*	*			trans	-71.2	115.8	155.9	-76.4	179.4	-44.6	0	0	107.6	S695	Q693-S695 PolarHBondContact O-N 2.91Å
694	A	34	Very low	44.9	Very low	97 Å²	97	115.1 Å²	115.1	80%	0.802	68%	0.682	S	S	*	*			trans	-64.7	121.5	171	0	0	0	0	0	108.6	S692	S692-A694 PolarHBondContact O-N 3.36Å
695	S	42.9	Very low	46.7	Very low	103 Å²	103	111.9 Å²	111.9	72%	0.72	66%	0.664	S	S	*	*			trans	-57.8	140.9	172	49.2	0	0	0	0	110.4	Q693 D697	Q693-S695 PolarHBondContact O-N 2.91Å; S695-D697 PolarHBondContact O-N 3.08Å
696	L	46.6	Very low	48.7	Very low	157 Å²	157	111.9 Å²	111.9	82%	0.822	66%	0.655	S	S	*	*			trans	-56.5	107.7	162.4	-79.4	168.5	0	0	0	108.2	V698	L696-V698 PolarHBondContact O-N 3.07Å
697	D	51.9	Low	50.6	Low	86 Å²	86	107.7 Å²	107.7	46%	0.46	64%	0.638	S	S	.	*			trans	-64.9	120.8	-179.9	-174.8	-1.3	0	0	0	109	S695 S699 M700 I701	S695-D697 PolarHBondContact O-N 3.08Å; D697-S699 VanDerWaalsContact CG-CB 3.47Å; D697-S699 PolarHBondContact O-N 3.3Å; D697-S699 VanDerWaalsContact O-N 3.15Å; D697-S699 WeakPolarHBondContact OD1-CB 3.47Å; D697-S699 PolarHBondContact OD1-N 3.42Å; D697-S699 PolarHBondContact OD1-OG 2.91Å; D697-S699 WeakPolarHBondContact OD2-CB 3.43Å; D697-S699 PolarHBondContact OD2-OG 2.84Å; D697-M700 WeakPolarHBondContact O-CB 3.37Å; D697-M700 PolarHBondContact O-N 3.24Å; D697-I701 PolarHBondContact O-N 2.81Å
698	V	59.3	Low	52.3	Low	97 Å²	97	106.1 Å²	106.1	59%	0.588	63%	0.625	S	S	*	*	H	α-helix	trans	-59.7	-26.2	176.6	-179	0	0	0	0	110.2	L696 M700 I701 I702	L696-V698 PolarHBondContact O-N 3.07Å; V698-M700 VanDerWaalsContact C-N 3.31Å; V698-M700 PolarHBondContact O-N 2.88Å; V698-I701 PolarHBondContact O-N 3.13Å; V698-I702 HydrophobicContact CG1-CD1 4.1Å; V698-I702 HydrophobicContact CG1-CG1 4.47Å; V698-I702 WeakPolarHBondContact O-CG1 3.44Å; V698-I702 PolarHBondContact O-N 2.64Å
699	S	58.5	Low	54.5	Low	58 Å²	58	102 Å²	102	41%	0.406	61%	0.606	S	S	.	*	H	α-helix	trans	-59.8	-36.8	171.3	-40.5	0	0	0	0	112.4	D697 I702 I703	D697-S699 VanDerWaalsContact CG-CB 3.47Å; D697-S699 PolarHBondContact O-N 3.3Å; D697-S699 VanDerWaalsContact O-N 3.15Å; D697-S699 WeakPolarHBondContact OD1-CB 3.47Å; D697-S699 PolarHBondContact OD1-N 3.42Å; D697-S699 PolarHBondContact OD1-OG 2.91Å; D697-S699 WeakPolarHBondContact OD2-CB 3.43Å; D697-S699 PolarHBondContact OD2-OG 2.84Å; S699-I702 PolarHBondContact O-N 2.88Å; S699-I703 WeakPolarHBondContact O-CB 3.3Å; S699-I703 WeakPolarHBondContact O-CD1 3.25Å; S699-I703 WeakPolarHBondContact O-CG1 3.31Å; S699-I703 PolarHBondContact O-N 3.22Å
700	M	57.5	Low	56.5	Low	113 Å²	113	99.1 Å²	99.1	56%	0.557	59%	0.589	S	S	*	*	H	α-helix	trans	-69.1	-38.2	174.7	-96.4	-67.7	-162.1	0	0	112.1	D697 V698 I702 I703 I704	D697-M700 WeakPolarHBondContact O-CB 3.37Å; D697-M700 PolarHBondContact O-N 3.24Å; V698-M700 VanDerWaalsContact C-N 3.31Å; V698-M700 PolarHBondContact O-N 2.88Å; M700-I702 VanDerWaalsContact C-N 3.32Å; M700-I703 PolarHBondContact O-N 2.89Å; M700-I704 WeakPolarHBondContact O-CB 3.32Å; M700-I704 VanDerWaalsContact O-CG1 3.25Å; M700-I704 WeakPolarHBondContact O-CG1 3.38Å; M700-I704 PolarHBondContact O-N 2.86Å; M700-I704 HydrophobicContact SD-CD1 4.42Å
701	I	60.2	Low	58.4	Low	105 Å²	105	96.7 Å²	96.7	54%	0.538	58%	0.576	S	S	.	*	H	α-helix	trans	-66.5	-37.6	173.8	-64	175.8	0	0	0	110.3	D697 V698 S705	D697-I701 PolarHBondContact O-N 2.81Å; V698-I701 PolarHBondContact O-N 3.13Å; I701-S705 VanDerWaalsContact O-CB 3.24Å; I701-S705 WeakPolarHBondContact O-CB 3.35Å; I701-S705 PolarHBondContact O-N 2.66Å; I701-S705 PolarHBondContact O-OG 2.74Å
702	I	63.6	Low	60.5	Low	99 Å²	99	94 Å²	94	51%	0.508	56%	0.559	S	S	.	*	H	α-helix	trans	-66	-41.9	173.1	-68.5	167.4	0	0	0	111.2	V698 S699 M700 S705 L706	V698-I702 HydrophobicContact CG1-CD1 4.1Å; V698-I702 HydrophobicContact CG1-CG1 4.47Å; V698-I702 WeakPolarHBondContact O-CG1 3.44Å; V698-I702 PolarHBondContact O-N 2.64Å; S699-I702 PolarHBondContact O-N 2.88Å; M700-I702 VanDerWaalsContact C-N 3.32Å; I702-S705 WeakPolarHBondContact CA-OG 3.44Å; I702-S705 PolarHBondContact O-OG 2.69Å; I702-L706 WeakPolarHBondContact O-CB 3.33Å; I702-L706 PolarHBondContact O-N 2.8Å
703	I	66.4	Low	62.4	Low	107 Å²	107	93.9 Å²	93.9	55%	0.549	55%	0.55	S	S	.	*	H	α-helix	trans	-69.1	-41.5	178.7	-71.6	162	0	0	0	111.4	S699 M700 G707	S699-I703 WeakPolarHBondContact O-CB 3.3Å; S699-I703 WeakPolarHBondContact O-CD1 3.25Å; S699-I703 WeakPolarHBondContact O-CG1 3.31Å; S699-I703 PolarHBondContact O-N 3.22Å; M700-I703 PolarHBondContact O-N 2.89Å; I703-G707 WeakPolarHBondContact O-CA 3.48Å; I703-G707 PolarHBondContact O-N 2.9Å
704	I	66.7	Low	64.4	Low	115 Å²	115	89.8 Å²	89.8	59%	0.59	53%	0.534	S	S	*	.	H	α-helix	trans	-70.4	-40.1	177.8	-67.7	166.5	0	0	0	110.8	M700 G707 A708	M700-I704 WeakPolarHBondContact O-CB 3.32Å; M700-I704 VanDerWaalsContact O-CG1 3.25Å; M700-I704 WeakPolarHBondContact O-CG1 3.38Å; M700-I704 PolarHBondContact O-N 2.86Å; M700-I704 HydrophobicContact SD-CD1 4.42Å; I704-G707 PolarHBondContact O-N 3.09Å; I704-A708 VanDerWaalsContact O-CB 3.27Å; I704-A708 WeakPolarHBondContact O-CB 3.36Å; I704-A708 PolarHBondContact O-N 3.27Å
705	S	70.8	Confident	66.3	Low	53 Å²	53	89.4 Å²	89.4	37%	0.371	52%	0.522	S	S	.	.	H	α-helix	trans	-71.6	-38.1	175	59.1	0	0	0	0	112.6	I701 I702 A708 I709	I701-S705 VanDerWaalsContact O-CB 3.24Å; I701-S705 WeakPolarHBondContact O-CB 3.35Å; I701-S705 PolarHBondContact O-N 2.66Å; I701-S705 PolarHBondContact O-OG 2.74Å; I702-S705 WeakPolarHBondContact CA-OG 3.44Å; I702-S705 PolarHBondContact O-OG 2.69Å; S705-A708 PolarHBondContact O-N 3.48Å; S705-I709 VanDerWaalsContact O-CB 3.3Å; S705-I709 WeakPolarHBondContact O-CB 3.42Å; S705-I709 WeakPolarHBondContact O-CD1 3.2Å; S705-I709 WeakPolarHBondContact O-CG1 3.35Å; S705-I709 PolarHBondContact O-N 3.38Å
706	L	76.7	Confident	67.9	Low	100 Å²	100	88.8 Å²	88.8	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-41.4	171.4	-175.1	66.8	0	0	0	111.1	I702 I709 C710	I702-L706 WeakPolarHBondContact O-CB 3.33Å; I702-L706 PolarHBondContact O-N 2.8Å; L706-I709 PolarHBondContact O-N 2.82Å; L706-C710 VanDerWaalsContact O-CB 3.28Å; L706-C710 WeakPolarHBondContact O-CB 3.28Å; L706-C710 PolarHBondContact O-N 3.01Å; L706-C710 PolarHBondContact O-SG 2.81Å
707	G	72.1	Confident	69.2	Low	40 Å²	40	87.2 Å²	87.2	41%	0.412	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-44	173.7	0	0	0	0	0	112.3	I703 I704 C710 A711	I703-G707 WeakPolarHBondContact O-CA 3.48Å; I703-G707 PolarHBondContact O-N 2.9Å; I704-G707 PolarHBondContact O-N 3.09Å; G707-C710 PolarHBondContact O-N 2.86Å; G707-A711 VanDerWaalsContact O-CB 3.28Å; G707-A711 WeakPolarHBondContact O-CB 3.36Å; G707-A711 PolarHBondContact O-N 2.98Å
708	A	70.1	Confident	70.2	Confident	52 Å²	52	87.4 Å²	87.4	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-66.4	-39.6	174.4	0	0	0	0	0	112.4	I704 S705 A711 V712	I704-A708 VanDerWaalsContact O-CB 3.27Å; I704-A708 WeakPolarHBondContact O-CB 3.36Å; I704-A708 PolarHBondContact O-N 3.27Å; S705-A708 PolarHBondContact O-N 3.48Å; A708-A711 PolarHBondContact O-N 3.34Å; A708-V712 WeakPolarHBondContact O-CB 3.34Å; A708-V712 VanDerWaalsContact O-CG2 3.28Å; A708-V712 WeakPolarHBondContact O-CG2 3.28Å; A708-V712 PolarHBondContact O-N 2.82Å
709	I	78.3	Confident	70.6	Confident	95 Å²	95	87.8 Å²	87.8	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-66.1	-41.4	174.5	-72.2	164.5	0	0	0	110.5	S705 L706 V712 L713	S705-I709 VanDerWaalsContact O-CB 3.3Å; S705-I709 WeakPolarHBondContact O-CB 3.42Å; S705-I709 WeakPolarHBondContact O-CD1 3.2Å; S705-I709 WeakPolarHBondContact O-CG1 3.35Å; S705-I709 PolarHBondContact O-N 3.38Å; L706-I709 PolarHBondContact O-N 2.82Å; I709-V712 PolarHBondContact O-N 3.47Å; I709-L713 HydrophobicContact CG2-CD1 3.89Å; I709-L713 HydrophobicContact CG2-CG 4.43Å; I709-L713 VanDerWaalsContact O-CB 3.23Å; I709-L713 WeakPolarHBondContact O-CB 3.49Å; I709-L713 VanDerWaalsContact O-CG 3.23Å; I709-L713 WeakPolarHBondContact O-CG 3.28Å; I709-L713 PolarHBondContact O-N 2.76Å
710	C	73.3	Confident	71	Confident	62 Å²	62	91.5 Å²	91.5	42%	0.419	51%	0.511	S	S	.	.	H	α-helix	trans	-66.7	-37.2	173.7	-74.9	0	0	0	0	112.3	L706 G707 L713 L714	L706-C710 VanDerWaalsContact O-CB 3.28Å; L706-C710 WeakPolarHBondContact O-CB 3.28Å; L706-C710 PolarHBondContact O-N 3.01Å; L706-C710 PolarHBondContact O-SG 2.81Å; G707-C710 PolarHBondContact O-N 2.86Å; C710-L713 PolarHBondContact O-N 2.91Å; C710-L714 VanDerWaalsContact O-CB 3.31Å; C710-L714 WeakPolarHBondContact O-CB 3.25Å; C710-L714 WeakPolarHBondContact O-CG 3.27Å; C710-L714 PolarHBondContact O-N 3.08Å
711	A	71.9	Confident	71.2	Confident	50 Å²	50	88.8 Å²	88.8	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-68.4	-42.7	174.4	0	0	0	0	0	111.7	G707 A708 L714 V715	G707-A711 VanDerWaalsContact O-CB 3.28Å; G707-A711 WeakPolarHBondContact O-CB 3.36Å; G707-A711 PolarHBondContact O-N 2.98Å; A708-A711 PolarHBondContact O-N 3.34Å; A711-L714 PolarHBondContact O-N 3.34Å; A711-V715 WeakPolarHBondContact O-CG2 3.2Å; A711-V715 PolarHBondContact O-N 2.72Å
712	V	78	Confident	71.3	Confident	86 Å²	86	87.2 Å²	87.2	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-66.7	-38.8	173.8	169	0	0	0	0	111	A708 I709 V715 I716	A708-V712 WeakPolarHBondContact O-CB 3.34Å; A708-V712 VanDerWaalsContact O-CG2 3.28Å; A708-V712 WeakPolarHBondContact O-CG2 3.28Å; A708-V712 PolarHBondContact O-N 2.82Å; I709-V712 PolarHBondContact O-N 3.47Å; V712-V715 PolarHBondContact O-N 3.28Å; V712-I716 HydrophobicContact CG1-CD1 3.77Å; V712-I716 HydrophobicContact CG1-CG1 4.41Å; V712-I716 VanDerWaalsContact O-CB 3.29Å; V712-I716 WeakPolarHBondContact O-CB 3.08Å; V712-I716 WeakPolarHBondContact O-CG1 3.21Å; V712-I716 PolarHBondContact O-N 3.01Å
713	L	76.8	Confident	71	Confident	96 Å²	96	91.3 Å²	91.3	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-67.3	-33.1	172.1	-76.8	170.5	0	0	0	112.3	I709 C710 M717	I709-L713 HydrophobicContact CG2-CD1 3.89Å; I709-L713 HydrophobicContact CG2-CG 4.43Å; I709-L713 VanDerWaalsContact O-CB 3.23Å; I709-L713 WeakPolarHBondContact O-CB 3.49Å; I709-L713 VanDerWaalsContact O-CG 3.23Å; I709-L713 WeakPolarHBondContact O-CG 3.28Å; I709-L713 PolarHBondContact O-N 2.76Å; C710-L713 PolarHBondContact O-N 2.91Å; L713-M717 WeakPolarHBondContact O-CB 3.29Å; L713-M717 VanDerWaalsContact O-CG 3.26Å; L713-M717 WeakPolarHBondContact O-CG 3.3Å; L713-M717 PolarHBondContact O-N 3.25Å
714	L	76.8	Confident	70.4	Confident	114 Å²	114	88.2 Å²	88.2	60%	0.597	50%	0.498	S	S	*	.	H	α-helix	trans	-70.1	-43	171.9	-86.3	168.8	0	0	0	111.7	C710 A711 M717 V718	C710-L714 VanDerWaalsContact O-CB 3.31Å; C710-L714 WeakPolarHBondContact O-CB 3.25Å; C710-L714 WeakPolarHBondContact O-CG 3.27Å; C710-L714 PolarHBondContact O-N 3.08Å; A711-L714 PolarHBondContact O-N 3.34Å; L714-M717 CarbonylContact O-C 3.45Å; L714-M717 PolarHBondContact O-N 2.78Å; L714-V718 WeakPolarHBondContact O-CB 3.4Å; L714-V718 VanDerWaalsContact O-CG2 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.26Å; L714-V718 PolarHBondContact O-N 2.86Å
715	V	74.8	Confident	69.7	Low	89 Å²	89	89.5 Å²	89.5	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-40.7	174.4	170.1	0	0	0	0	110.6	A711 V712 V718 L719	A711-V715 WeakPolarHBondContact O-CG2 3.2Å; A711-V715 PolarHBondContact O-N 2.72Å; V712-V715 PolarHBondContact O-N 3.28Å; V715-V718 PolarHBondContact O-N 3.46Å; V715-L719 HydrophobicContact CG1-CD1 3.92Å; V715-L719 HydrophobicContact CG1-CG 4.44Å; V715-L719 WeakPolarHBondContact O-CB 3.48Å; V715-L719 VanDerWaalsContact O-CG 3.25Å; V715-L719 WeakPolarHBondContact O-CG 3.24Å; V715-L719 PolarHBondContact O-N 2.89Å
716	I	76.2	Confident	68.8	Low	90 Å²	90	97.7 Å²	97.7	46%	0.462	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-42.5	171.8	-71	168.4	0	0	0	110.3	V712 V718 L719 F720	V712-I716 HydrophobicContact CG1-CD1 3.77Å; V712-I716 HydrophobicContact CG1-CG1 4.41Å; V712-I716 VanDerWaalsContact O-CB 3.29Å; V712-I716 WeakPolarHBondContact O-CB 3.08Å; V712-I716 WeakPolarHBondContact O-CG1 3.21Å; V712-I716 PolarHBondContact O-N 3.01Å; I716-V718 VanDerWaalsContact C-N 3.35Å; I716-V718 PolarHBondContact O-N 2.79Å; I716-L719 PolarHBondContact O-N 2.83Å; I716-F720 WeakPolarHBondContact O-CB 3.17Å; I716-F720 PolarHBondContact O-N 3.39Å
717	M	73.5	Confident	67.3	Low	125 Å²	125	100.5 Å²	100.5	62%	0.616	54%	0.539	S	S	*	.	H	α-helix	trans	-63.1	-37.4	174.5	-86.6	-71.1	-66.8	0	0	112.5	L713 L714 A721	L713-M717 WeakPolarHBondContact O-CB 3.29Å; L713-M717 VanDerWaalsContact O-CG 3.26Å; L713-M717 WeakPolarHBondContact O-CG 3.3Å; L713-M717 PolarHBondContact O-N 3.25Å; L714-M717 CarbonylContact O-C 3.45Å; L714-M717 PolarHBondContact O-N 2.78Å; M717-A721 WeakPolarHBondContact O-CA 3.42Å; M717-A721 WeakPolarHBondContact O-CB 3.49Å; M717-A721 PolarHBondContact O-N 3.29Å
718	V	72	Confident	65.7	Low	89 Å²	89	106.5 Å²	106.5	54%	0.539	55%	0.554	S	S	.	*	H	α-helix	trans	-72.6	-38.5	176	168.8	0	0	0	0	110.8	L714 V715 I716 T722	L714-V718 WeakPolarHBondContact O-CB 3.4Å; L714-V718 VanDerWaalsContact O-CG2 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.26Å; L714-V718 PolarHBondContact O-N 2.86Å; V715-V718 PolarHBondContact O-N 3.46Å; I716-V718 VanDerWaalsContact C-N 3.35Å; I716-V718 PolarHBondContact O-N 2.79Å; V718-T722 WeakPolarHBondContact O-CB 3.31Å; V718-T722 VanDerWaalsContact O-CG2 3.31Å; V718-T722 WeakPolarHBondContact O-CG2 3.3Å; V718-T722 PolarHBondContact O-N 3.42Å; V718-T722 PolarHBondContact O-OG1 3.47Å
719	L	68.6	Low	64.2	Low	105 Å²	105	113.4 Å²	113.4	55%	0.55	57%	0.574	S	S	.	*	H	α-helix	trans	-68.5	-35.3	172.4	-72.4	169.9	0	0	0	112.2	V715 I716 T722 R723	V715-L719 HydrophobicContact CG1-CD1 3.92Å; V715-L719 HydrophobicContact CG1-CG 4.44Å; V715-L719 WeakPolarHBondContact O-CB 3.48Å; V715-L719 VanDerWaalsContact O-CG 3.25Å; V715-L719 WeakPolarHBondContact O-CG 3.24Å; V715-L719 PolarHBondContact O-N 2.89Å; I716-L719 PolarHBondContact O-N 2.83Å; L719-T722 WeakPolarHBondContact CA-OG1 3.4Å; L719-T722 PolarHBondContact O-OG1 2.81Å; L719-R723 WeakPolarHBondContact O-CB 3.23Å; L719-R723 PolarHBondContact O-N 3.25Å
720	F	65.8	Low	62.4	Low	137 Å²	137	116.8 Å²	116.8	60%	0.601	59%	0.593	S	S	*	*	H	α-helix	trans	-77.4	-33.4	176.7	-151.1	-86	0	0	0	111.2	I716 C724	I716-F720 WeakPolarHBondContact O-CB 3.17Å; I716-F720 PolarHBondContact O-N 3.39Å; F720-C724 VanDerWaalsContact CD1-SG 3.6Å; F720-C724 WeakPolarHBondContact O-CB 3.05Å; F720-C724 PolarHBondContact O-N 3.36Å; F720-C724 PolarHBondContact O-SG 3.4Å
721	A	61.6	Low	60.6	Low	55 Å²	55	119.7 Å²	119.7	46%	0.455	61%	0.609	S	S	.	*	H	α-helix	trans	-69.1	-46.3	171.4	0	0	0	0	0	111.1	M717 C724 N725	M717-A721 WeakPolarHBondContact O-CA 3.42Å; M717-A721 WeakPolarHBondContact O-CB 3.49Å; M717-A721 PolarHBondContact O-N 3.29Å; A721-C724 PolarHBondContact O-N 2.8Å; A721-N725 VanDerWaalsContact O-CB 3.28Å; A721-N725 WeakPolarHBondContact O-CB 3.15Å; A721-N725 PolarHBondContact O-N 2.81Å
722	T	62.3	Low	58.9	Low	72 Å²	72	128.8 Å²	128.8	44%	0.442	63%	0.633	S	S	.	*	H	α-helix	trans	-68.2	-32.8	176.4	51.8	0	0	0	0	112.6	V718 L719 R726	V718-T722 WeakPolarHBondContact O-CB 3.31Å; V718-T722 VanDerWaalsContact O-CG2 3.31Å; V718-T722 WeakPolarHBondContact O-CG2 3.3Å; V718-T722 PolarHBondContact O-N 3.42Å; V718-T722 PolarHBondContact O-OG1 3.47Å; L719-T722 WeakPolarHBondContact CA-OG1 3.4Å; L719-T722 PolarHBondContact O-OG1 2.81Å; T722-R726 WeakPolarHBondContact O-CB 3.28Å; T722-R726 PolarHBondContact O-N 3.47Å; T722-R726 VanDerWaalsContact O-N 3.08Å
723	R	57.8	Low	56.6	Low	185 Å²	185	128.6 Å²	128.6	70%	0.698	64%	0.636	S	S	*	*	H	α-helix	trans	-69.1	-45	166.3	-87.3	-168.3	161.1	-169.4	-6.9	112.9	L719 N725 R726 E727	L719-R723 WeakPolarHBondContact O-CB 3.23Å; L719-R723 PolarHBondContact O-N 3.25Å; R723-N725 PolarHBondContact O-N 3.41Å; R723-R726 CarbonylContact O-C 3.55Å; R723-R726 PolarHBondContact O-N 3.23Å; R723-E727 PolarHBondContact O-N 2.79Å
724	C	53.8	Low	54.4	Low	43 Å²	43	133.6 Å²	133.6	29%	0.291	65%	0.649	S	S	.	*	H	α-helix	trans	-60.8	-34	174.8	-72.6	0	0	0	0	112.2	F720 A721 R726 E727 K728	F720-C724 VanDerWaalsContact CD1-SG 3.6Å; F720-C724 WeakPolarHBondContact O-CB 3.05Å; F720-C724 PolarHBondContact O-N 3.36Å; F720-C724 PolarHBondContact O-SG 3.4Å; A721-C724 PolarHBondContact O-N 2.8Å; C724-R726 VanDerWaalsContact C-N 3.32Å; C724-E727 PolarHBondContact O-N 2.76Å; C724-K728 WeakPolarHBondContact O-CA 3.23Å; C724-K728 WeakPolarHBondContact O-CB 3.43Å; C724-K728 PolarHBondContact O-N 2.79Å
725	N	52.6	Low	52.3	Low	141 Å²	141	134.9 Å²	134.9	75%	0.754	66%	0.657	S	S	*	*	H	α-helix	trans	-79.2	-14.2	176.3	-145.9	31.3	0	0	0	113	A721 R723	A721-N725 VanDerWaalsContact O-CB 3.28Å; A721-N725 WeakPolarHBondContact O-CB 3.15Å; A721-N725 PolarHBondContact O-N 2.81Å; R723-N725 PolarHBondContact O-N 3.41Å
726	R	51.6	Low	50.2	Low	225 Å²	225	136 Å²	136	85%	0.849	67%	0.667	S	S	*	*	H	α-helix	trans	-94.5	-14.3	169	-83.1	174.9	62.7	158.7	-1.5	114.2	T722 R723 C724	T722-R726 WeakPolarHBondContact O-CB 3.28Å; T722-R726 PolarHBondContact O-N 3.47Å; T722-R726 VanDerWaalsContact O-N 3.08Å; R723-R726 CarbonylContact O-C 3.55Å; R723-R726 PolarHBondContact O-N 3.23Å; C724-R726 VanDerWaalsContact C-N 3.32Å
727	E	46.2	Very low	48	Very low	160 Å²	160	143.1 Å²	143.1	75%	0.748	69%	0.688	S	S	*	*	H	α-helix	trans	-137.1	11.4	-172.1	-113.6	167.3	-169.6	0	0	115	R723 C724	R723-E727 PolarHBondContact O-N 2.79Å; C724-E727 PolarHBondContact O-N 2.76Å
728	K	37.8	Very low	45.9	Very low	166 Å²	166	143.1 Å²	143.1	72%	0.722	69%	0.694	S	S	*	*	S	Bend	trans	-135.5	56.6	169.3	-71.6	-170.1	174	177.6	0	114	C724	C724-K728 WeakPolarHBondContact O-CA 3.23Å; C724-K728 WeakPolarHBondContact O-CB 3.43Å; C724-K728 PolarHBondContact O-N 2.79Å
729	K	39.2	Very low	43.9	Very low	197 Å²	197	142.6 Å²	142.6	86%	0.857	70%	0.699	S	S	*	*			trans	-146	28.1	153.7	-135.2	178.2	-177	-179.2	0	117.4
730	D	39	Very low	42	Very low	166 Å²	166	146.6 Å²	146.6	89%	0.888	72%	0.715	S	S	*	*			trans	-107.6	83.3	160.4	-120.3	-40.7	0	0	0	110.2
731	T	37.3	Very low	40.6	Very low	122 Å²	122	144.9 Å²	144.9	75%	0.748	72%	0.72	S	S	*	*			trans	-157.7	138.1	174.5	-35.8	0	0	0	0	111.9
732	R	35.9	Very low	39.1	Very low	241 Å²	241	147.5 Å²	147.5	91%	0.909	73%	0.731	S	S	*	*			trans	-18.1	152.5	157.8	-65.8	170.5	179.2	172.1	-1.8	116
733	S	28.2	Very low	37.5	Very low	83 Å²	83	154 Å²	154	58%	0.58	75%	0.749	S	S	*	*			cis	-174.9	146.7	-4	177.4	0	0	0	0	105
734	Y	31.4	Very low	36.2	Very low	201 Å²	201	152.5 Å²	152.5	79%	0.788	75%	0.75	S	S	*	*				-167.5	157.4	66.7	-88.2	-88.9	0	0	0	111.6
735	N	33.5	Very low	34.9	Very low	141 Å²	141	157.5 Å²	157.5	75%	0.754	77%	0.769	S	S	*	*	S	Bend	trans	64	125.3	161.2	-56	-7.7	0	0	0	118.3
736	C	30.3	Very low	33.8	Very low	111 Å²	111	159.2 Å²	159.2	75%	0.75	77%	0.772	S	S	*	*			cis	-149.1	98.1	-8.1	-97.7	0	0	0	0	111.7
737	R	30.8	Very low	33.4	Very low	241 Å²	241	153.7 Å²	153.7	91%	0.909	77%	0.765	S	S	*	*				33.1	141	128.2	-78.2	-170.9	167.4	153.7	-3.2	121.5
738	V	27.6	Very low	32.6	Very low	124 Å²	124	155.4 Å²	155.4	75%	0.752	77%	0.77	S	S	*	*			cis	-167.7	143.4	-13.1	96.5	0	0	0	0	110.7
739	A	29.9	Very low	32.1	Very low	78 Å²	78	159 Å²	159	65%	0.645	78%	0.779	S	S	*	*			trans	40.3	168.6	145.9	0	0	0	0	0	121.7
740	E	28.8	Very low	32.3	Very low	189 Å²	189	155 Å²	155	88%	0.883	77%	0.773	S	S	*	*			cis	-156.2	172.2	-0.3	-148.9	149.1	-150.2	0	0	110.6
741	S	37.1	Very low	32	Very low	101 Å²	101	152 Å²	152	71%	0.706	77%	0.765	S	S	*	*			trans	-101.3	126.1	176	56.6	0	0	0	0	113.6
742	T	30.4	Very low	31.8	Very low	111 Å²	111	156.7 Å²	156.7	68%	0.681	77%	0.769	S	S	*	*			trans	39.4	103.5	146	-31.9	0	0	0	0	119.5
743	Y	29.2	Very low	31.8	Very low	209 Å²	209	151.8 Å²	151.8	82%	0.82	76%	0.757	S	S	*	*				171.4	148.3	109.6	-102	-66.1	0	0	0	116
744	Q	29.1	Very low	32.2	Very low	153 Å²	153	154.2 Å²	154.2	72%	0.715	76%	0.762	S	S	*	*			trans	79.2	125	146.3	-76.7	-167.3	26	0	0	124.7
745	H	27.8	Very low	32.5	Very low	148 Å²	148	152.5 Å²	152.5	69%	0.685	76%	0.761	S	S	*	*			trans	73.8	108.5	144.7	-68.3	106.7	0	0	0	123.9
746	H	28.6	Very low	32.5	Very low	176 Å²	176	155.6 Å²	155.6	82%	0.815	77%	0.767	S	S	*	*			trans	27	159.2	132.2	-67.2	-39.6	0	0	0	123.8
747	P	43.7	Very low	32.6	Very low	110 Å²	110	153 Å²	153	71%	0.714	76%	0.759	S	S	*	*			cis	-139.7	168.7	11.6	39.8	-20.1	0	0	0	119.3
748	K	28.4	Very low	32.7	Very low	195 Å²	195	149.5 Å²	149.5	85%	0.848	76%	0.759	S	S	*	*			trans	40.5	118	144.8	-63.6	173	-178.5	175.9	0	123.3
749	R	28.2	Very low	33	Very low	243 Å²	243	151.5 Å²	151.5	92%	0.917	76%	0.763	S	S	*	*				29.6	153.5	128.2	-64.2	-175.4	176.7	-176.4	-0.4	121.3
750	P	43.6	Very low	33.1	Very low	113 Å²	113	153.3 Å²	153.3	73%	0.734	77%	0.767	S	S	*	*			cis	-146.8	178	20.2	40.3	-18.4	0	0	0	120.1
751	S	32.1	Very low	33.3	Very low	103 Å²	103	152 Å²	152	72%	0.72	77%	0.765	S	S	*	*			trans	76.2	123.4	139.8	61.2	0	0	0	0	127.2
752	R	33	Very low	33.1	Very low	220 Å²	220	153.5 Å²	153.5	83%	0.83	77%	0.769	S	S	*	*			trans	84.2	112.5	134.2	-81.3	-170.3	159.3	-178.2	-3.1	125.3
753	Q	36.9	Very low	34.1	Very low	137 Å²	137	152.8 Å²	152.8	64%	0.64	77%	0.767	S	S	*	*				87.8	112.5	124.7	-73.9	-179.5	-64	0	0	125.1
754	I	35.4	Very low	34.3	Very low	134 Å²	134	148.7 Å²	148.7	69%	0.687	76%	0.764	S	S	*	*				72.1	131.9	123.5	-65.2	174.5	0	0	0	118.8
755	H	38.7	Very low	34.6	Very low	166 Å²	166	147.9 Å²	147.9	77%	0.769	76%	0.763	S	S	*	*			cis	-163.4	175.1	-1.9	-130.5	59.6	0	0	0	113.9
756	K	32.8	Very low	34.8	Very low	205 Å²	205	148.6 Å²	148.6	89%	0.891	77%	0.772	S	S	*	*			trans	66.6	138.7	177.6	-69.9	-172.5	171.7	-172.7	0	115.7
757	G	33.2	Very low	34.8	Very low	57 Å²	57	143.5 Å²	143.5	59%	0.588	77%	0.767	S	S	*	*			cis	153.1	134.4	-4.4	0	0	0	0	0	109.3
758	D	32	Very low	34.1	Very low	167 Å²	167	144.3 Å²	144.3	89%	0.893	77%	0.77	S	S	*	*			cis	-125.7	163.7	4	-60.1	-43.3	0	0	0	111
759	I	33.1	Very low	34.1	Very low	166 Å²	166	142.8 Å²	142.8	85%	0.851	77%	0.77	S	S	*	*			trans	-115.4	156.2	-150.2	-61.9	176.6	0	0	0	114.5
760	T	33.6	Very low	34.8	Very low	116 Å²	116	135.9 Å²	135.9	71%	0.712	76%	0.757	S	S	*	*			trans	-117.4	174.6	-166.3	52.3	0	0	0	0	115.1
761	L	31.5	Very low	34	Very low	162 Å²	162	137.5 Å²	137.5	85%	0.848	76%	0.758	S	S	*	*			trans	95	168.8	160	-59.5	177.5	0	0	0	120.5
762	V	32.9	Very low	33.6	Very low	132 Å²	132	144 Å²	144	80%	0.8	77%	0.767	S	S	*	*			trans	-139	-173.1	-160.7	-118.7	0	0	0	0	108.2
763	P	52.3	Low	33.4	Very low	97 Å²	97	138.9 Å²	138.9	63%	0.63	76%	0.764	S	S	*	*			cis	-130.2	-173.8	-36.6	40	-24.1	0	0	0	112.9
764	T	32.8	Very low	33	Very low	122 Å²	122	140 Å²	140	75%	0.748	77%	0.769	S	S	*	*			trans	62.8	160.8	158	58.6	0	0	0	0	119.7
765	I	36.2	Very low	32.7	Very low	136 Å²	136	141.4 Å²	141.4	70%	0.697	77%	0.773	S	S	*	*			cis	-160.4	149.6	-22.2	-102.8	165.3	0	0	0	108.4
766	N	31.1	Very low	32.2	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	78%	0.777	S	S	*	*			trans	59.6	145.4	164.8	-69.3	-9.9	0	0	0	122.3
767	G	29.4	Very low	32	Very low	69 Å²	69	140 Å²	140	71%	0.711	77%	0.772	S	S	*	*			trans	147	69.7	156.8	0	0	0	0	0	120.6
768	T	29.9	Very low	32.1	Very low	127 Å²	127	143 Å²	143	78%	0.779	79%	0.785	S	S	*	*			trans	34.1	116.9	148.1	55.7	0	0	0	0	123
769	L	28	Very low	32.6	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	78%	0.783	S	S	*	*				48.5	160.5	118.3	-71	170.7	0	0	0	122.3
770	P	41.9	Very low	32.6	Very low	99 Å²	99	139.1 Å²	139.1	64%	0.643	78%	0.782	S	S	*	*			cis	-138.9	176	-4.8	38.1	-18.1	0	0	0	118.1
771	I	26.8	Very low	32.5	Very low	147 Å²	147	138.9 Å²	138.9	75%	0.754	79%	0.785	S	S	*	*			trans	76.9	134.7	143.7	-78.6	159	0	0	0	122.9
772	R	25.2	Very low	32.6	Very low	239 Å²	239	135.8 Å²	135.8	90%	0.902	78%	0.777	S	S	*	*			trans	68.7	152.2	163.6	-90.6	172	-179.8	178.8	-0.5	117.8
773	S	28.8	Very low	33.6	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	77%	0.771	S	S	*	*			cis	-148.1	176.4	3.7	47.2	0	0	0	0	113.7
774	H	27.4	Very low	32.6	Very low	161 Å²	161	135.5 Å²	135.5	75%	0.745	78%	0.776	S	S	*	*			trans	-76.9	156	-172.2	-82.5	-119.6	0	0	0	117.5
775	H	28.4	Very low	32.4	Very low	163 Å²	163	136.7 Å²	136.7	76%	0.755	78%	0.777	S	S	*	*			trans	76.2	149.1	138.3	-77.2	-42.4	0	0	0	124.3
776	R	29.1	Very low	32	Very low	229 Å²	229	136.8 Å²	136.8	86%	0.864	77%	0.774	S	S	*	*			trans	72.5	88	155.4	-74.7	173.1	-171.8	-116.7	1.9	119.3
777	S	29.5	Very low	31.9	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	77%	0.773	S	S	*	*				33.4	114.3	106.2	-43.9	0	0	0	0	118.9
778	S	34.1	Very low	31.9	Very low	121 Å²	121	140.3 Å²	140.3	85%	0.846	78%	0.779	S	S	*	*			trans	-19.3	144.8	161.3	-39.2	0	0	0	0	119
779	P	43.7	Very low	31.8	Very low	131 Å²	131	142.6 Å²	142.6	85%	0.851	78%	0.781	S	S	*	*				-133.9	153.9	128.7	38	-29.1	0	0	0	113.9
780	S	31.4	Very low	31.8	Very low	119 Å²	119	143.7 Å²	143.7	83%	0.832	78%	0.783	S	S	*	*			trans	-141	124.4	160.3	59.4	0	0	0	0	109.7
781	S	31.4	Very low	31.1	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	79%	0.789	S	S	*	*			trans	-72.6	176.3	174.8	63.1	0	0	0	0	110.9
782	S	34.6	Very low	31.3	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	79%	0.787	S	S	*	*			cis	-178.4	178.7	20.9	6.4	0	0	0	0	107.9
783	P	54	Low	31.5	Very low	103 Å²	103	139 Å²	139	67%	0.669	78%	0.782	S	S	*	*			cis	-139.4	-171.6	-35.3	40.3	-22.5	0	0	0	113.5
784	T	31	Very low	31.5	Very low	120 Å²	120	140.6 Å²	140.6	74%	0.736	78%	0.777	S	S	*	*			trans	66.6	148	158.4	57.8	0	0	0	0	119.1
785	L	28.7	Very low	31.7	Very low	147 Å²	147	137.1 Å²	137.1	77%	0.77	77%	0.771	S	S	*	*			cis	-155.7	157.6	-5.8	-118.2	162.4	0	0	0	111.2
786	E	28.1	Very low	32.1	Very low	137 Å²	137	136.6 Å²	136.6	64%	0.64	77%	0.769	S	S	*	*			trans	53.8	113.6	157.7	-90.2	-165.9	127.8	0	0	123.9
787	R	29.6	Very low	32.4	Very low	226 Å²	226	132.2 Å²	132.2	85%	0.853	76%	0.762	S	S	*	*				68.5	109.4	109.6	-166.8	-177.3	-162.4	163.5	2.7	120.6
788	G	28.1	Very low	32.5	Very low	80 Å²	80	132 Å²	132	83%	0.825	76%	0.76	S	S	*	*			trans	178.8	143.6	160.4	0	0	0	0	0	114.3
789	Q	28.5	Very low	32.6	Very low	176 Å²	176	133.6 Å²	133.6	82%	0.822	75%	0.754	S	S	*	*			trans	-106.1	159.2	179.1	-65.5	172.2	-74.8	0	0	112.4
790	M	28.2	Very low	32.2	Very low	185 Å²	185	135.2 Å²	135.2	91%	0.911	75%	0.751	S	S	*	*			trans	64.1	150.4	156.9	-69.2	173.5	176.1	0	0	119
791	G	27.3	Very low	32.4	Very low	74 Å²	74	134.7 Å²	134.7	76%	0.763	75%	0.747	S	S	*	*			trans	144.6	67.3	155.1	0	0	0	0	0	120.7
792	S	30.3	Very low	32.6	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	74%	0.743	S	S	*	*			trans	20.3	128.5	132.3	167.9	0	0	0	0	122.4
793	R	29.7	Very low	32.4	Very low	212 Å²	212	138 Å²	138	80%	0.8	75%	0.748	S	S	*	*			trans	79.4	129.5	139.4	-78.7	177.1	165	-163.3	-0	123.6
794	Q	29.3	Very low	31.3	Very low	146 Å²	146	138 Å²	138	68%	0.682	75%	0.75	S	S	*	*				69.4	103.9	126.7	-68.8	179.2	-63.6	0	0	123.7
795	S	31.7	Very low	31.2	Very low	88 Å²	88	139.5 Å²	139.5	62%	0.615	75%	0.753	S	S	*	*				66.6	149.5	114.3	72.1	0	0	0	0	125.2
796	H	36.8	Very low	31.2	Very low	153 Å²	153	138 Å²	138	71%	0.708	75%	0.749	S	S	*	*			trans	100	105	148.2	-71.4	-58.1	0	0	0	122.5
797	N	34.1	Very low	31.3	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	75%	0.752	S	S	*	*				47.3	134.6	116.2	-56.4	0.5	0	0	0	123
798	S	32.8	Very low	31.2	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	75%	0.747	S	S	*	*			trans	-156.5	119	136.1	-14.5	0	0	0	0	111.2
799	H	35.4	Very low	31	Very low	155 Å²	155	134.2 Å²	134.2	72%	0.718	74%	0.742	S	S	*	*				70.9	112.1	104.9	-73	-78.9	0	0	0	115.6
800	Q	35.9	Very low	31	Very low	166 Å²	166	130.7 Å²	130.7	78%	0.776	74%	0.737	S	S	*	*				72.8	153.1	84.5	-74.3	-179.5	-12.3	0	0	113.5
801	S	35.8	Very low	31.2	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	74%	0.735	S	S	*	*			cis	-159.3	-180	14.7	51.3	0	0	0	0	110
802	L	34.1	Very low	31.4	Very low	134 Å²	134	135 Å²	135	70%	0.702	74%	0.74	S	S	*	*			cis	-168.9	144.8	-33.3	-96	168.9	0	0	0	108.8
803	N	31	Very low	31.3	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	74%	0.736	S	S	*	*			trans	64.9	153.8	156.2	-59	-12.1	0	0	0	118.2
804	S	30.6	Very low	31.9	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	74%	0.737	S	S	*	*			cis	-166.2	-156.9	-10.1	50.2	0	0	0	0	108.3
805	L	30	Very low	31.8	Very low	152 Å²	152	130.7 Å²	130.7	80%	0.796	74%	0.735	S	S	*	*			cis	-161.5	-171.7	14.1	-130.6	172.5	0	0	0	111.2
806	V	28.8	Very low	31.8	Very low	114 Å²	114	134 Å²	134	69%	0.691	75%	0.747	S	S	*	*			trans	-63.7	151.5	179.3	163.9	0	0	0	0	114.1
807	T	29.3	Very low	31.3	Very low	115 Å²	115	134.4 Å²	134.4	71%	0.706	75%	0.747	S	S	*	*			cis	-162.9	153.8	42.4	-8.1	0	0	0	0	114.4
808	I	27.4	Very low	31	Very low	147 Å²	147	133.3 Å²	133.3	75%	0.754	75%	0.749	S	S	*	*			trans	62.6	130.2	145.6	-69.9	168.8	0	0	0	122.7
809	S	24.7	Very low	30.7	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	75%	0.752	S	S	*	*			trans	82.8	144.9	155.7	72.3	0	0	0	0	121
810	S	27.7	Very low	30.3	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	75%	0.754	S	S	*	*			trans	46.3	103	177.2	54.7	0	0	0	0	116.3
811	N	32.1	Very low	30	Very low	164 Å²	164	134.6 Å²	134.6	88%	0.877	75%	0.752	S	S	*	*				-148.7	155.7	63.1	-85.5	-38.3	0	0	0	113.7
812	H	31.9	Very low	29.5	Very low	185 Å²	185	135 Å²	135	86%	0.856	75%	0.75	S	S	*	*			trans	-81	140.7	-175.3	-125.5	-63	0	0	0	112.7
813	V	28.6	Very low	29.2	Very low	104 Å²	104	137.5 Å²	137.5	63%	0.63	76%	0.757	S	S	*	*			trans	-58.5	132	155.8	179.4	0	0	0	0	109.1	E815	V813-E815 HydrophobicContact CG1-CG 3.95Å; V813-E815 PolarHBondContact O-N 2.77Å
814	P	42.1	Very low	29	Very low	127 Å²	127	134.4 Å²	134.4	83%	0.825	75%	0.752	S	S	*	*			trans	-86.3	83	163.6	33.6	-30.1	0	0	0	109.9
815	E	28.4	Very low	28.8	Very low	137 Å²	137	135.6 Å²	135.6	64%	0.64	76%	0.755	S	S	*	*			trans	-72.2	150.6	154.9	-70	178.7	141.4	0	0	109.2	V813	V813-E815 HydrophobicContact CG1-CG 3.95Å; V813-E815 PolarHBondContact O-N 2.77Å
816	N	31	Very low	29	Very low	159 Å²	159	134.5 Å²	134.5	85%	0.85	76%	0.757	S	S	*	*			trans	-172.8	117.4	133.5	-88.1	-38.6	0	0	0	106.6
817	F	26.1	Very low	28.9	Very low	161 Å²	161	133 Å²	133	71%	0.706	76%	0.757	S	S	*	*				60.7	96.4	54.4	-89	-76.6	0	0	0	115.7
818	S	26.7	Very low	28.9	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	76%	0.76	S	S	*	*				-165.7	123.4	129	37.6	0	0	0	0	107.5
819	L	27.9	Very low	29.1	Very low	156 Å²	156	134 Å²	134	82%	0.817	76%	0.759	S	S	*	*				93.6	147.3	55.8	-90.7	168	0	0	0	113.4
820	E	26.9	Very low	29.5	Very low	160 Å²	160	136.3 Å²	136.3	75%	0.748	76%	0.758	S	S	*	*			trans	-83.7	165.8	-168.6	-54.2	176.1	98.1	0	0	113.9
821	L	29.2	Very low	29.6	Very low	140 Å²	140	135.8 Å²	135.8	73%	0.733	75%	0.751	S	S	*	*			trans	58	129.1	148.6	-68.2	156.5	0	0	0	117.6
822	T	25.9	Very low	29.6	Very low	117 Å²	117	133.8 Å²	133.8	72%	0.718	75%	0.75	S	S	*	*				-175.9	149.4	83.9	26.4	0	0	0	0	113.6
823	H	27.4	Very low	29.7	Very low	185 Å²	185	132.4 Å²	132.4	86%	0.856	74%	0.743	S	S	*	*			trans	58.8	166.5	145.8	-77.8	-68.1	0	0	0	123.4
824	A	25.9	Very low	29.6	Very low	81 Å²	81	135.3 Å²	135.3	67%	0.669	76%	0.755	S	S	*	*			trans	79	95.4	155	0	0	0	0	0	120
825	T	27.3	Very low	29.2	Very low	127 Å²	127	135.5 Å²	135.5	78%	0.779	75%	0.748	S	S	*	*				19.6	127.3	122.3	54.6	0	0	0	0	119.8
826	P	34.1	Very low	29.2	Very low	129 Å²	129	133.7 Å²	133.7	84%	0.838	75%	0.751	S	S	*	*			trans	-78.8	135.1	154.9	32.7	-31.3	0	0	0	111.8
827	A	27	Very low	29.1	Very low	84 Å²	84	133.9 Å²	133.9	69%	0.694	75%	0.748	S	S	*	*			trans	-84.7	154.8	157.8	0	0	0	0	0	108.1
828	V	28.3	Very low	29.3	Very low	124 Å²	124	132.2 Å²	132.2	75%	0.752	75%	0.746	S	S	*	*				53.6	123.2	56.7	-170.6	0	0	0	0	109.2
829	E	32.5	Very low	29.6	Very low	157 Å²	157	135 Å²	135	73%	0.734	75%	0.746	S	S	*	*			cis	-161.3	166.9	34.5	-129.5	162.1	131.6	0	0	107
830	Q	32.5	Very low	29.9	Very low	152 Å²	152	136.9 Å²	136.9	71%	0.71	75%	0.751	S	S	*	*			cis	-170.9	172	-13.2	-122.6	-165.5	100.5	0	0	105.5
831	V	29.7	Very low	30	Very low	91 Å²	91	133.1 Å²	133.1	55%	0.552	76%	0.756	S	S	*	*			cis	-164.8	159.4	-9.4	68.9	0	0	0	0	109.2	Q833	V831-Q833 HydrophobicContact CG2-CG 4.22Å
832	S	32.4	Very low	30.1	Very low	122 Å²	122	135.2 Å²	135.2	85%	0.853	76%	0.761	S	S	*	*				-165	148.2	127.7	30.1	0	0	0	0	111.1
833	Q	33.3	Very low	30.2	Very low	155 Å²	155	141.1 Å²	141.1	72%	0.724	77%	0.772	S	S	*	*			trans	-126.5	156.5	-171.6	-57.2	165.2	-63	0	0	110.2	V831	V831-Q833 HydrophobicContact CG2-CG 4.22Å
834	L	28.1	Very low	30.4	Very low	166 Å²	166	140.3 Å²	140.3	87%	0.869	77%	0.769	S	S	*	*				164	156.7	128.3	-104.1	100.6	0	0	0	109.9
835	L	32.2	Very low	31.4	Very low	130 Å²	130	142.2 Å²	142.2	68%	0.681	78%	0.775	S	S	*	*			cis	-168.4	149.4	-48.5	-140.8	140	0	0	0	109.1
836	S	29.5	Very low	31.6	Very low	100 Å²	100	147 Å²	147	70%	0.699	78%	0.778	S	S	*	*			trans	70.1	153.5	162.6	90.7	0	0	0	0	115.8
837	M	28.1	Very low	32.4	Very low	163 Å²	163	146.3 Å²	146.3	80%	0.803	77%	0.774	S	S	*	*			cis	-134.2	-164.6	-9.4	-60.2	-175.7	-77	0	0	107.6
838	L	29.9	Very low	32.6	Very low	125 Å²	125	146.8 Å²	146.8	65%	0.654	77%	0.772	S	S	*	*			cis	-157.7	129.7	-7.8	-145	177.4	0	0	0	107.8
839	H	33.7	Very low	32.6	Very low	171 Å²	171	149.6 Å²	149.6	79%	0.792	78%	0.775	S	S	*	*				168.7	144.2	129.8	-103	-84.5	0	0	0	113.3
840	Q	33.2	Very low	32.5	Very low	195 Å²	195	153 Å²	153	91%	0.911	78%	0.781	S	S	*	*			trans	-128.2	161.7	175.4	-65.2	176.8	-20.2	0	0	109.4
841	G	28.9	Very low	32.3	Very low	82 Å²	82	149 Å²	149	85%	0.845	78%	0.781	S	S	*	*			trans	165	72.7	170.4	0	0	0	0	0	116.4
842	Q	32.9	Very low	32.6	Very low	183 Å²	183	152.4 Å²	152.4	86%	0.855	80%	0.796	S	S	*	*			trans	-94.8	145.5	163.8	-71.4	-174.7	-14.3	0	0	110.6
843	Y	28.3	Very low	32.6	Very low	241 Å²	241	155.5 Å²	155.5	95%	0.945	79%	0.794	S	S	*	*			trans	-151.5	157.8	148.7	-107.6	-76.4	0	0	0	112.6
844	Q	31.1	Very low	32.8	Very low	168 Å²	168	158.3 Å²	158.3	79%	0.785	80%	0.799	S	S	*	*			trans	-123.7	176.5	-176.9	-87.2	-167.8	15.1	0	0	108.9
845	P	47.4	Very low	32.8	Very low	122 Å²	122	156.1 Å²	156.1	79%	0.792	80%	0.798	S	S	*	*			cis	-151	-168.6	30.5	43.7	-20	0	0	0	119.9
846	R	30.1	Very low	32.8	Very low	226 Å²	226	160.6 Å²	160.6	85%	0.853	81%	0.806	S	S	*	*			trans	-55.6	170.1	175.1	-95.4	177.5	-176.2	-172	2.4	116.8
847	P	50.5	Low	32.8	Very low	115 Å²	115	161.2 Å²	161.2	75%	0.747	81%	0.81	S	S	*	*				-158	147.7	52.8	42.9	-19.8	0	0	0	123.9
848	S	31.8	Very low	32.9	Very low	94 Å²	94	162.3 Å²	162.3	66%	0.657	81%	0.806	S	S	*	*			trans	37.7	136.4	139.4	67.7	0	0	0	0	125.3
849	F	27.5	Very low	32.9	Very low	183 Å²	183	166.8 Å²	166.8	80%	0.803	81%	0.814	S	S	*	*				-161.8	-177.9	104	-124.7	-102	0	0	0	114.6
850	R	31.3	Very low	32.8	Very low	229 Å²	229	169 Å²	169	86%	0.864	82%	0.817	S	S	*	*			trans	-77.4	153.9	-159.9	-64.3	169	166.5	166.1	-6.3	118.4
851	G	28.7	Very low	32.8	Very low	69 Å²	69	163.5 Å²	163.5	71%	0.711	81%	0.805	S	S	*	*			trans	-174.6	146.6	156.7	0	0	0	0	0	111.8
852	N	35.1	Very low	32.9	Very low	162 Å²	162	166.9 Å²	166.9	87%	0.866	80%	0.803	S	S	*	*			trans	-142	161.8	-166.3	-102.5	-1.9	0	0	0	115.7
853	K	33.9	Very low	32.9	Very low	186 Å²	186	165 Å²	165	81%	0.809	80%	0.795	S	S	*	*			trans	87.1	144.7	166.2	-52	-162.4	179.3	-179.6	0	117.3
854	Y	35.9	Very low	33.2	Very low	215 Å²	215	159.1 Å²	159.1	84%	0.843	78%	0.779	S	S	*	*			cis	-169.9	136.1	-30.5	-116.4	-58.5	0	0	0	109.6
855	S	29.5	Very low	33.2	Very low	119 Å²	119	157.8 Å²	157.8	83%	0.832	78%	0.775	S	S	*	*			trans	-159.7	126	156.7	56.1	0	0	0	0	111.6
856	R	32.3	Very low	32.4	Very low	225 Å²	225	157 Å²	157	85%	0.849	76%	0.764	S	S	*	*			trans	-166.4	135.5	166.7	-143.6	-179	-165.7	-150.9	3.9	111.2
857	S	29.1	Very low	32.4	Very low	113 Å²	113	152.9 Å²	152.9	79%	0.79	75%	0.752	S	S	*	*			trans	-140	152.2	169	51.9	0	0	0	0	109.5
858	Y	29.4	Very low	31.4	Very low	185 Å²	185	155.8 Å²	155.8	73%	0.725	75%	0.753	S	S	*	*			trans	-169.8	146.4	-177.6	-125.5	-57.9	0	0	0	109.8
859	R	30.8	Very low	31.3	Very low	219 Å²	219	156 Å²	156	83%	0.826	76%	0.755	S	S	*	*			trans	71	153.8	161.8	-64.2	-172.9	-177.1	-169.8	-0.8	118.2
860	Y	31	Very low	31.7	Very low	218 Å²	218	154.6 Å²	154.6	86%	0.855	76%	0.755	S	S	*	*			cis	-162.9	176.4	-36.1	-138.3	-96.8	0	0	0	108.2
861	A	33.3	Very low	31.7	Very low	79 Å²	79	152.4 Å²	152.4	65%	0.653	75%	0.752	S	S	*	*			trans	-61.3	175.7	-171.6	0	0	0	0	0	118.8
862	L	30.3	Very low	31.8	Very low	154 Å²	154	154.5 Å²	154.5	81%	0.806	75%	0.746	S	S	*	*			trans	143.3	147.5	148.7	-76.7	166.9	0	0	0	110.6
863	Q	33.3	Very low	31.7	Very low	144 Å²	144	152.1 Å²	152.1	67%	0.673	74%	0.742	S	S	*	*			cis	-168.7	173.2	-29.2	-150	-180	-79.3	0	0	108.9
864	D	35.9	Very low	31.6	Very low	116 Å²	116	146.6 Å²	146.6	62%	0.62	74%	0.739	S	S	*	*			trans	86	116.1	145.2	-70.6	-27.6	0	0	0	125.8
865	M	30.3	Very low	31.6	Very low	140 Å²	140	148.9 Å²	148.9	69%	0.69	75%	0.746	S	S	*	*				112.4	133	114.8	-86.3	179	70.7	0	0	123.3
866	D	30.2	Very low	31.7	Very low	105 Å²	105	146.8 Å²	146.8	56%	0.561	74%	0.743	S	S	*	*			trans	70.4	145.9	143	-76.8	11.6	0	0	0	122.1
867	K	31.1	Very low	31.7	Very low	140 Å²	140	143.3 Å²	143.3	61%	0.609	74%	0.741	S	S	*	*			cis	-168.4	157.4	-17.9	-122.3	175.8	-169.5	89	0	112.5
868	F	29.3	Very low	32.1	Very low	176 Å²	176	142.5 Å²	142.5	77%	0.772	74%	0.736	S	S	*	*			trans	75.1	132.1	146.5	-89.6	-56.3	0	0	0	126.5
869	S	29.4	Very low	32.3	Very low	100 Å²	100	141.8 Å²	141.8	70%	0.699	74%	0.739	S	S	*	*			trans	84.3	120.8	136.4	-167.7	0	0	0	0	118.7
870	L	35.2	Very low	32.6	Very low	153 Å²	153	136.7 Å²	136.7	80%	0.801	74%	0.743	S	S	*	*			cis	112.9	153.5	28.3	-99.5	165.4	0	0	0	111.5
871	K	32	Very low	32.7	Very low	183 Å²	183	129.3 Å²	129.3	80%	0.796	73%	0.734	S	S	*	*			trans	80.8	145	172	-77.6	-157.7	166.7	-152.3	0	118.1
872	D	29.9	Very low	32.6	Very low	112 Å²	112	133 Å²	133	60%	0.599	74%	0.743	S	S	*	*			cis	-162.9	162.3	-14	-143.2	-47.2	0	0	0	111.2
873	S	33.7	Very low	32.7	Very low	112 Å²	112	130.4 Å²	130.4	78%	0.783	74%	0.737	S	S	*	*			trans	57.4	131.1	147.1	-67.9	0	0	0	0	123.9
874	G	31.8	Very low	32.8	Very low	71 Å²	71	130.6 Å²	130.6	73%	0.732	74%	0.743	S	S	*	*			trans	130.3	107.9	156.4	0	0	0	0	0	113.4
875	R	35.3	Very low	32.6	Very low	263 Å²	263	136.2 Å²	136.2	99%	0.992	76%	0.757	S	S	*	*				67.7	131.5	70.9	-82.7	-170	166.1	-166.2	-3.7	114.7
876	G	33.1	Very low	32.6	Very low	75 Å²	75	136.3 Å²	136.3	77%	0.773	76%	0.76	S	S	*	*			trans	153.4	79	164.1	0	0	0	0	0	114.1
877	D	32.3	Very low	32.7	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	78%	0.777	S	S	*	*			trans	-69.5	162.8	173.2	-44.8	-78	0	0	0	112.8
878	S	35.9	Very low	32.7	Very low	96 Å²	96	135.8 Å²	135.8	67%	0.671	78%	0.778	S	S	*	*			trans	66.6	166.8	148.9	-71.9	0	0	0	0	119.5
879	E	33.9	Very low	32.8	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	78%	0.784	S	S	*	*			cis	-169.2	148.2	-31.9	-105.8	166.3	127.1	0	0	106.5
880	A	36.4	Very low	32.8	Very low	111 Å²	111	140.8 Å²	140.8	92%	0.917	79%	0.788	S	S	*	*			trans	59.4	173.2	164.8	0	0	0	0	0	115.9
881	G	33.4	Very low	32.5	Very low	64 Å²	64	138.4 Å²	138.4	66%	0.66	78%	0.784	S	S	*	*			cis	171.8	146.4	-16.9	0	0	0	0	0	112.4
882	D	31	Very low	33.5	Very low	156 Å²	156	135.1 Å²	135.1	83%	0.834	78%	0.781	S	S	*	*			trans	43.6	151.4	153.1	-57.1	-10.2	0	0	0	123.8
883	S	33	Very low	33.5	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	79%	0.788	S	S	*	*			trans	77.8	104.9	155.5	62.4	0	0	0	0	120.1
884	D	34.8	Very low	33.2	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	78%	0.784	S	S	*	*				42.1	125.9	113	-42	-19.1	0	0	0	119.2
885	Y	31.9	Very low	33.1	Very low	235 Å²	235	145.9 Å²	145.9	92%	0.922	79%	0.793	S	S	*	*				-160.8	147.2	107.1	-125.1	-92	0	0	0	112.3
886	D	31.9	Very low	32.9	Very low	141 Å²	141	140 Å²	140	75%	0.754	78%	0.78	S	S	*	*			trans	-90.7	155	-179.6	-146.1	-23	0	0	0	111.7
887	L	32	Very low	32.8	Very low	173 Å²	173	144.8 Å²	144.8	91%	0.906	79%	0.788	S	S	*	*			trans	177.2	116.8	152.3	-102.4	166.7	0	0	0	110.9
888	G	30	Very low	32.6	Very low	62 Å²	62	140.8 Å²	140.8	64%	0.639	78%	0.782	S	S	*	*			trans	-97.1	-155.1	178.8	0	0	0	0	0	115.2
889	R	32.2	Very low	32.4	Very low	235 Å²	235	146.2 Å²	146.2	89%	0.887	80%	0.797	S	S	*	*			trans	77.1	146.3	-173.3	-69	-170.5	-172.9	177	1.3	115
890	D	28.7	Very low	32.2	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	80%	0.797	S	S	*	*			cis	-140.2	178.6	3.9	-97.1	-36.8	0	0	0	111.5
891	S	29.7	Very low	31.9	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	80%	0.795	S	S	*	*			trans	-141.2	179.6	173.2	73.4	0	0	0	0	109.7
892	P	53.5	Low	31.7	Very low	113 Å²	113	148.4 Å²	148.4	73%	0.734	80%	0.801	S	S	*	*			cis	-125	-128.2	-25.8	35.4	-16.8	0	0	0	110.6
893	I	28.4	Very low	31.6	Very low	148 Å²	148	147.1 Å²	147.1	76%	0.759	79%	0.794	S	S	*	*			trans	94.4	90	164.4	-60.9	176.5	0	0	0	118.5
894	D	27.4	Very low	31.4	Very low	129 Å²	129	148.6 Å²	148.6	69%	0.69	79%	0.793	S	S	*	*				61.5	126.2	110.6	-165	24.5	0	0	0	122
895	R	30.2	Very low	31	Very low	244 Å²	244	150 Å²	150	92%	0.921	79%	0.793	S	S	*	*			trans	-160.3	130	140.6	-128.8	175.5	-174.6	128.7	5.2	114.5
896	L	30.4	Very low	31	Very low	139 Å²	139	145.7 Å²	145.7	73%	0.728	79%	0.785	S	S	*	*			trans	-84.5	173	172.9	-72.4	157.3	0	0	0	113.7
897	L	31.6	Very low	31.1	Very low	177 Å²	177	144.3 Å²	144.3	93%	0.927	78%	0.782	S	S	*	*			trans	76.8	142.6	166.8	-44.2	178.2	0	0	0	116.4
898	G	28.9	Very low	31	Very low	67 Å²	67	143.6 Å²	143.6	69%	0.691	78%	0.779	S	S	*	*			cis	167	169.5	-6.7	0	0	0	0	0	114.1
899	E	31.1	Very low	31.3	Very low	210 Å²	210	144.6 Å²	144.6	98%	0.981	79%	0.789	S	S	*	*			trans	66.3	147.8	164.2	-54.5	-168.8	152.1	0	0	120.1
900	G	30.4	Very low	31.3	Very low	77 Å²	77	144.8 Å²	144.8	79%	0.794	79%	0.79	S	S	*	*			trans	163.3	40.7	-178.4	0	0	0	0	0	117.3
901	F	30.4	Very low	31.4	Very low	203 Å²	203	146 Å²	146	89%	0.89	80%	0.795	S	S	*	*			trans	-68.9	139.6	175.3	-106	-98.5	0	0	0	112.5
902	S	29.2	Very low	31.6	Very low	111 Å²	111	146.9 Å²	146.9	78%	0.776	80%	0.798	S	S	*	*			trans	176.9	108.5	134.8	-79	0	0	0	0	113.9
903	D	28.7	Very low	30.6	Very low	129 Å²	129	146.1 Å²	146.1	69%	0.69	80%	0.801	S	S	*	*				53.6	120.2	122.6	-80.8	14.5	0	0	0	124.5
904	L	28	Very low	30.8	Very low	130 Å²	130	143.4 Å²	143.4	68%	0.681	80%	0.801	S	S	*	*				84.6	118.3	124	-64.1	173.6	0	0	0	122.4
905	F	27.4	Very low	31.1	Very low	179 Å²	179	145.1 Å²	145.1	79%	0.785	81%	0.807	S	S	*	*			trans	83.1	148.3	132.4	-91.1	-52.3	0	0	0	122.6
906	L	31.6	Very low	31.3	Very low	143 Å²	143	143.8 Å²	143.8	75%	0.749	80%	0.801	S	S	*	*			trans	84.7	116.9	152.5	-71.2	157.3	0	0	0	121
907	T	32.6	Very low	31.2	Very low	113 Å²	113	144.4 Å²	144.4	69%	0.693	81%	0.805	S	S	*	*			trans	71.4	119.8	138.3	51.6	0	0	0	0	121.8
908	D	30	Very low	31.1	Very low	157 Å²	157	140.7 Å²	140.7	84%	0.84	79%	0.793	S	S	*	*				25.1	104.4	129.7	-69.4	-45.1	0	0	0	117.8	R910	D908-R910 PolarHBondContact O-N 3.49Å
909	G	36.8	Very low	31.5	Very low	83 Å²	83	142.9 Å²	142.9	86%	0.856	79%	0.792	S	S	*	*			trans	-65.3	113	179.1	0	0	0	0	0	114.2
910	R	32.7	Very low	31.8	Very low	239 Å²	239	139.1 Å²	139.1	90%	0.902	78%	0.775	S	S	*	*			trans	-148.3	89.7	158.2	-79.9	-168.5	179.5	-170	0.7	112.1	D908	D908-R910 PolarHBondContact O-N 3.49Å
911	I	29.9	Very low	31.7	Very low	172 Å²	172	144.6 Å²	144.6	88%	0.882	78%	0.78	S	S	*	*			trans	-132.5	114.5	160.3	-60.3	-176.5	0	0	0	108.7
912	P	33.7	Very low	31.7	Very low	122 Å²	122	139.1 Å²	139.1	79%	0.792	77%	0.766	S	S	*	*			trans	-102.5	142.4	-178.6	36.3	-31.3	0	0	0	113.6
913	A	33.7	Very low	31.7	Very low	97 Å²	97	142.6 Å²	142.6	80%	0.802	76%	0.762	S	S	*	*			trans	-121.3	134.6	156.4	0	0	0	0	0	107.7
914	A	32.6	Very low	31.9	Very low	90 Å²	90	142.3 Å²	142.3	74%	0.744	77%	0.765	S	S	*	*			cis	85.2	107.3	38.9	0	0	0	0	0	113.9
915	M	32.8	Very low	31.9	Very low	166 Å²	166	144.2 Å²	144.2	82%	0.818	78%	0.775	S	S	*	*			trans	70.3	127	163.1	-53.8	-158.3	-172.8	0	0	120.4
916	R	35.5	Very low	31.8	Very low	215 Å²	215	138.5 Å²	138.5	81%	0.811	77%	0.766	S	S	*	*			trans	32.3	114.5	134.3	-64.3	171.3	171	146.1	-5.1	117
917	L	28.6	Very low	31.6	Very low	153 Å²	153	139.9 Å²	139.9	80%	0.801	77%	0.768	S	S	*	*			cis	56	94.8	21.2	-106.2	-177.9	0	0	0	114.6
918	C	28.5	Very low	31.3	Very low	99 Å²	99	138.7 Å²	138.7	67%	0.669	77%	0.765	S	S	*	*			trans	-178.5	134.5	162.3	-99.4	0	0	0	0	106.4
919	T	36.3	Very low	31.4	Very low	112 Å²	112	137.3 Å²	137.3	69%	0.687	76%	0.757	S	S	*	*			cis	-155.4	162.6	1.9	40.8	0	0	0	0	108.5
920	E	37.8	Very low	31.3	Very low	132 Å²	132	141.8 Å²	141.8	62%	0.617	76%	0.756	S	S	*	*			cis	-163.9	165	-21.7	-103.4	159.1	-179.1	0	0	104.6
921	E	30	Very low	30.9	Very low	192 Å²	192	136 Å²	136	90%	0.897	75%	0.751	S	S	*	*	S	Bend	cis	-138.4	174.8	30.1	-58.6	177.6	139.6	0	0	110.8
922	C	29.6	Very low	30.9	Very low	88 Å²	88	139 Å²	139	60%	0.595	75%	0.751	S	S	*	*				-152.2	123.6	-55.6	-110.8	0	0	0	0	106.6
923	R	29.8	Very low	30.7	Very low	184 Å²	184	141.9 Å²	141.9	69%	0.694	76%	0.756	S	S	*	*				60.8	83.7	85.6	-157.9	177.8	-159.7	146.7	7.7	112
924	V	31.9	Very low	30.9	Very low	123 Å²	123	142.1 Å²	142.1	75%	0.745	75%	0.749	S	S	*	*				64	112.8	90.4	175.9	0	0	0	0	114.1
925	L	27.3	Very low	31.4	Very low	170 Å²	170	143.5 Å²	143.5	89%	0.89	75%	0.75	S	S	*	*			trans	-128.3	91.9	141.4	-86.3	178.2	0	0	0	109
926	G	25.6	Very low	31.3	Very low	58 Å²	58	143.6 Å²	143.6	60%	0.598	75%	0.754	S	S	*	*			trans	-107.1	99.1	169.3	0	0	0	0	0	110.2
927	H	28.2	Very low	31.6	Very low	173 Å²	173	139.2 Å²	139.2	80%	0.801	75%	0.753	S	S	*	*			trans	-150.9	135.4	167.9	-73	-74.5	0	0	0	107.3
928	S	25.8	Very low	31.8	Very low	88 Å²	88	137.1 Å²	137.1	62%	0.615	75%	0.751	S	S	*	*			cis	-159.1	178.2	-7.8	45.9	0	0	0	0	110.2
929	D	32.4	Very low	32.9	Very low	128 Å²	128	137.6 Å²	137.6	68%	0.684	75%	0.753	S	S	*	*			trans	81.8	130.4	156.9	-50.7	-55	0	0	0	120.2
930	Q	34.2	Very low	32.6	Very low	177 Å²	177	137.4 Å²	137.4	83%	0.827	76%	0.756	S	S	*	*			trans	64.5	111.8	157.7	-63.3	160.7	50.5	0	0	115.9
931	C	24.9	Very low	32.5	Very low	117 Å²	117	135.6 Å²	135.6	79%	0.791	76%	0.758	S	S	*	*			cis	53.9	85.3	35.8	-60	0	0	0	0	114.8
932	W	30.4	Very low	32.7	Very low	236 Å²	236	132.5 Å²	132.5	89%	0.894	75%	0.748	S	S	*	*				-173.8	141.9	112.4	-112.9	25.7	0	0	0	115.1
933	M	29.2	Very low	32.9	Very low	182 Å²	182	136.9 Å²	136.9	90%	0.897	75%	0.753	S	S	*	*			trans	-101.9	121.8	150.8	-86.7	167.3	49.8	0	0	108.4
934	P	38	Very low	32.8	Very low	102 Å²	102	138 Å²	138	66%	0.662	76%	0.757	S	S	*	*			trans	-95.9	161.1	163.7	34.1	-27.2	0	0	0	111.6
935	P	43.1	Very low	32.8	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	75%	0.752	S	S	*	*				-132.9	-178.7	-122.3	43	-30.3	0	0	0	116.7
936	L	30.7	Very low	32.9	Very low	169 Å²	169	135.7 Å²	135.7	89%	0.885	75%	0.749	S	S	*	*			trans	-59.9	141	159.5	-69.4	165.1	0	0	0	111.8
937	P	41.7	Very low	33	Very low	122 Å²	122	140.9 Å²	140.9	79%	0.792	76%	0.759	S	S	*	*			trans	-94.7	142.7	159.6	34.7	-29.6	0	0	0	112.3
938	S	33.2	Very low	33	Very low	110 Å²	110	141 Å²	141	77%	0.769	76%	0.758	S	S	*	*			trans	-100.8	-165.1	166.8	61.1	0	0	0	0	108.6
939	P	51.4	Low	33.1	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	76%	0.764	S	S	*	*			cis	-141.3	-165.4	2.7	43.5	-23.8	0	0	0	116
940	S	30.5	Very low	33.5	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	77%	0.772	S	S	*	*			trans	77.6	141.8	161.7	69.9	0	0	0	0	119.1
941	S	33.8	Very low	33.1	Very low	94 Å²	94	138.7 Å²	138.7	66%	0.657	77%	0.766	S	S	*	*			cis	-162.1	171.1	-22	50.6	0	0	0	0	112
942	D	34.9	Very low	33.3	Very low	127 Å²	127	141.7 Å²	141.7	68%	0.679	77%	0.769	S	S	*	*			trans	90.3	109.1	150.9	-60.1	-50.5	0	0	0	123.1
943	Y	33.3	Very low	33.1	Very low	180 Å²	180	139.1 Å²	139.1	71%	0.706	77%	0.767	S	S	*	*			trans	78.7	104.9	135	-83.6	-98.4	0	0	0	123.9
944	R	29.3	Very low	33	Very low	206 Å²	206	139.8 Å²	139.8	78%	0.777	77%	0.765	S	S	*	*			trans	53.8	112.6	136.1	-67.6	-170.8	165.8	144.8	-1.4	119.4
945	S	30.8	Very low	33.5	Very low	90 Å²	90	139.9 Å²	139.9	63%	0.629	77%	0.765	S	S	*	*			cis	83	112.4	48.5	79.6	0	0	0	0	115.6
946	N	30.2	Very low	32.7	Very low	155 Å²	155	140.8 Å²	140.8	83%	0.829	77%	0.769	S	S	*	*				178.2	158.4	109.6	-88.9	0	0	0	0	112.4
947	M	28.2	Very low	32.4	Very low	167 Å²	167	141.3 Å²	141.3	82%	0.823	77%	0.767	S	S	*	*			trans	-114.9	163.7	158.2	-73.7	-167.2	-68.4	0	0	109.5
948	F	26.4	Very low	32.4	Very low	175 Å²	175	140.2 Å²	140.2	77%	0.768	76%	0.76	S	S	*	*			trans	95.6	137.1	135	-118.1	-124	0	0	0	122
949	I	27.9	Very low	32.1	Very low	147 Å²	147	142.7 Å²	142.7	75%	0.754	76%	0.759	S	S	*	*			trans	65.5	154.6	159.5	47.6	177.9	0	0	0	121.6
950	P	42.2	Very low	31	Very low	129 Å²	129	144.1 Å²	144.1	84%	0.838	76%	0.757	S	S	*	*			trans	-113.4	-175.6	-159.3	44.2	-34.8	0	0	0	113.6
951	G	26.2	Very low	30.8	Very low	69 Å²	69	147.1 Å²	147.1	71%	0.711	76%	0.758	S	S	*	*			trans	165.4	142.9	161	0	0	0	0	0	116.3
952	E	27.4	Very low	30.4	Very low	181 Å²	181	151.3 Å²	151.3	85%	0.846	77%	0.767	S	S	*	*			trans	65.6	103.1	141.7	-62.7	-178.7	169.5	0	0	122.1
953	E	26.1	Very low	30.9	Very low	182 Å²	182	149.9 Å²	149.9	85%	0.85	77%	0.765	S	S	*	*				84.1	141.2	121	-59.9	-155.6	143.1	0	0	123.9
954	F	28	Very low	30.6	Very low	196 Å²	196	148.5 Å²	148.5	86%	0.86	77%	0.765	S	S	*	*			trans	-69.1	178.2	159.8	-72.7	-91.6	0	0	0	110.9
955	P	47.8	Very low	30.7	Very low	103 Å²	103	146.3 Å²	146.3	67%	0.669	76%	0.763	S	S	*	*			cis	-128	160.6	-2	34.1	-16.6	0	0	0	114.7
956	T	26.5	Very low	30.7	Very low	138 Å²	138	146.8 Å²	146.8	85%	0.847	77%	0.767	S	S	*	*				179.1	138.5	105.2	27.5	0	0	0	0	113.2
957	Q	25.6	Very low	30.9	Very low	179 Å²	179	146.4 Å²	146.4	84%	0.836	76%	0.764	S	S	*	*			trans	-71	154.8	156	-92.4	-175.4	10.3	0	0	109.3
958	P	41.2	Very low	31.2	Very low	99 Å²	99	145.4 Å²	145.4	64%	0.643	76%	0.757	S	S	*	*				-151.6	160.2	55.7	41.2	-21.7	0	0	0	119.1
959	Q	27.6	Very low	31.3	Very low	162 Å²	162	144.2 Å²	144.2	76%	0.757	76%	0.759	S	S	*	*			trans	64	147.3	145.8	-68.3	166.7	10	0	0	117.6
960	Q	28.2	Very low	31.3	Very low	139 Å²	139	144.6 Å²	144.6	65%	0.65	76%	0.762	S	S	*	*			cis	-158.5	156.4	6.4	-123.4	155.6	20.4	0	0	110.6
961	Q	25.1	Very low	30.6	Very low	171 Å²	171	142.4 Å²	142.4	80%	0.799	76%	0.755	S	S	*	*			trans	62.2	106.6	147.4	-72.8	165.1	-8.7	0	0	122.2
962	H	26.9	Very low	30.7	Very low	183 Å²	183	148 Å²	148	85%	0.847	76%	0.763	S	S	*	*			trans	-53.9	165.4	130.9	-79.2	-57	0	0	0	111.3
963	P	45.3	Very low	31.7	Very low	97 Å²	97	144.6 Å²	144.6	63%	0.63	76%	0.756	S	S	*	*			cis	-152.2	-166.8	40.5	31.5	-3.7	0	0	0	118.3
964	H	26.7	Very low	31.8	Very low	151 Å²	151	140.6 Å²	140.6	70%	0.699	75%	0.754	S	S	*	*			trans	75.8	149.1	168.6	-58.4	-63.3	0	0	0	117.7
965	Q	31.6	Very low	31.9	Very low	160 Å²	160	138.5 Å²	138.5	75%	0.748	75%	0.752	S	S	*	*			cis	124.8	153.5	-1.8	-89.9	-174.1	-50.5	0	0	112.9
966	S	29.2	Very low	31.1	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	76%	0.755	S	S	*	*			trans	78.3	121.6	165.5	11.7	0	0	0	0	117.9
967	L	34.2	Very low	31.2	Very low	146 Å²	146	135.3 Å²	135.3	76%	0.764	75%	0.749	S	S	*	*				77.3	141.9	81.2	-63.8	-179.7	0	0	0	111.5
968	E	34.9	Very low	31.7	Very low	147 Å²	147	133.9 Å²	133.9	69%	0.687	74%	0.743	S	S	*	*			cis	-158.5	151.5	3.7	-130.9	148.2	-174.7	0	0	109.4
969	D	28.5	Very low	31.3	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	75%	0.747	S	S	*	*				162.7	130.5	113.8	-99.6	-24	0	0	0	116.8
970	D	28.7	Very low	31.6	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	75%	0.75	S	S	*	*			trans	66.1	146.6	140.1	-125.6	-8.6	0	0	0	127.4
971	A	28.4	Very low	31.6	Very low	84 Å²	84	142.2 Å²	142.2	69%	0.694	76%	0.764	S	S	*	*			trans	67.8	97.6	150.2	0	0	0	0	0	123.7
972	Q	27.3	Very low	31.9	Very low	186 Å²	186	138.5 Å²	138.5	87%	0.869	76%	0.757	S	S	*	*			trans	-70.9	177.5	140.6	-90.6	-170.8	-1.8	0	0	111.3
973	P	48.8	Very low	31.9	Very low	109 Å²	109	139.5 Å²	139.5	71%	0.708	76%	0.759	S	S	*	*			cis	-143.3	173.3	18	43.4	-24.6	0	0	0	119.2
974	A	28.8	Very low	31.1	Very low	98 Å²	98	140 Å²	140	81%	0.81	77%	0.765	S	S	*	*			trans	65.2	153.7	154.4	0	0	0	0	0	119.1
975	D	28.6	Very low	31.3	Very low	152 Å²	152	139 Å²	139	81%	0.813	77%	0.769	S	S	*	*			cis	-132	176.4	4.3	-159.7	-4.4	0	0	0	111.8
976	S	31.3	Very low	31.2	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	78%	0.78	S	S	*	*			trans	-80.2	158.1	-162.9	49.4	0	0	0	0	116.2
977	G	29.6	Very low	31.2	Very low	71 Å²	71	140 Å²	140	73%	0.732	78%	0.777	S	S	*	*			trans	-80.7	-169.1	162.6	0	0	0	0	0	112.1
978	E	34.6	Very low	31.1	Very low	150 Å²	150	142.1 Å²	142.1	70%	0.701	78%	0.78	S	S	*	*			cis	-165.6	-179.5	17	-159.9	-149.2	-165	0	0	110.4
979	K	32.7	Very low	30.8	Very low	170 Å²	170	141.1 Å²	141.1	74%	0.739	78%	0.779	S	S	*	*			trans	99.6	79.9	158.9	-59.1	178	-177	175.5	0	119.8
980	K	33.8	Very low	30.9	Very low	188 Å²	188	139.2 Å²	139.2	82%	0.817	78%	0.778	S	S	*	*				41	119.5	120	-62.9	177.3	-179.5	173.1	0	119.2
981	K	29.4	Very low	32	Very low	216 Å²	216	136.5 Å²	136.5	94%	0.939	77%	0.768	S	S	*	*			trans	-124.3	171.9	146.4	-86.9	-170	174.1	-176.2	0	110.1
982	S	30	Very low	32.1	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	77%	0.769	S	S	*	*			trans	-119.7	-176.4	-160.5	48.2	0	0	0	0	114.8
983	F	28.2	Very low	32.3	Very low	204 Å²	204	135.6 Å²	135.6	90%	0.895	76%	0.758	S	S	*	*			trans	84.6	128.5	168.2	-65.2	-82.2	0	0	0	120.4
984	S	27.2	Very low	31.6	Very low	106 Å²	106	139.1 Å²	139.1	74%	0.741	77%	0.765	S	S	*	*				-175.3	176.1	124.7	-162.3	0	0	0	0	112.4
985	T	32.3	Very low	31.7	Very low	130 Å²	130	140.7 Å²	140.7	80%	0.798	76%	0.76	S	S	*	*			trans	75.2	120.6	178.8	67.1	0	0	0	0	116.4
986	F	28.1	Very low	31.8	Very low	221 Å²	221	139.5 Å²	139.5	97%	0.969	76%	0.758	S	S	*	*			cis	91	117.8	-0.4	-127.8	-65.6	0	0	0	118.5
987	G	29.7	Very low	31.7	Very low	62 Å²	62	138.4 Å²	138.4	64%	0.639	76%	0.763	S	S	*	*			trans	133.1	114.6	171.8	0	0	0	0	0	112.7
988	K	32.2	Very low	31.7	Very low	189 Å²	189	142.3 Å²	142.3	82%	0.822	77%	0.767	S	S	*	*				75.3	140.9	77.4	-96.1	178.7	154.6	-83.9	0	113.7
989	D	29.7	Very low	31.5	Very low	126 Å²	126	140.9 Å²	140.9	67%	0.674	77%	0.769	S	S	*	*			cis	-141.7	179.6	22.8	-95.9	-56.5	0	0	0	115
990	S	28.8	Very low	31.5	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	76%	0.764	S	S	*	*			trans	-110.3	-156.8	175.4	-35.8	0	0	0	0	110.3
991	P	53.3	Low	31.4	Very low	97 Å²	97	134.6 Å²	134.6	63%	0.63	77%	0.765	S	S	*	*			cis	-114.2	-167.7	3.2	24.6	2.3	0	0	0	111.6
992	N	29.2	Very low	31.6	Very low	132 Å²	132	129.5 Å²	129.5	71%	0.706	76%	0.756	S	S	*	*			cis	-157.7	170.3	33.3	-61.7	87	0	0	0	110.1
993	D	33.2	Very low	31.7	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	77%	0.766	S	S	*	*			cis	-170.7	161.8	-29.6	-87.7	-21.8	0	0	0	108.9
994	E	33.3	Very low	31.9	Very low	183 Å²	183	128.9 Å²	128.9	86%	0.855	76%	0.764	S	S	*	*			trans	60.1	138.9	159.8	-70.3	173.5	-173.4	0	0	120.4
995	D	30.1	Very low	32.2	Very low	131 Å²	131	132.2 Å²	132.2	70%	0.701	77%	0.772	S	S	*	*			cis	-153.4	154.9	11.2	-156.8	7.6	0	0	0	115.6
996	T	31.3	Very low	32.2	Very low	128 Å²	128	131.2 Å²	131.2	79%	0.785	77%	0.77	S	S	*	*			trans	44.4	133.3	165.4	55.1	0	0	0	0	123.4
997	G	29.5	Very low	32.5	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	76%	0.761	S	S	*	*			trans	152.7	73.2	151.9	0	0	0	0	0	119.7
998	D	29.9	Very low	32.5	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	78%	0.775	S	S	*	*			trans	-55.1	155.6	172.8	-71	-48.7	0	0	0	115.2
999	T	30.2	Very low	32.5	Very low	120 Å²	120	131.6 Å²	131.6	74%	0.736	78%	0.778	S	S	*	*			cis	-156.7	157.3	4.6	3.9	0	0	0	0	113.9
1000	S	31.4	Very low	32.8	Very low	92 Å²	92	130.9 Å²	130.9	64%	0.643	78%	0.783	S	S	*	*			trans	56.3	106.1	144.4	70	0	0	0	0	122.7
1001	T	32.7	Very low	33	Very low	135 Å²	135	131.2 Å²	131.2	83%	0.828	78%	0.78	S	S	*	*				51.1	139.6	123.1	60.1	0	0	0	0	121.9
1002	S	33.2	Very low	31.7	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	79%	0.789	S	S	*	*			cis	-169.7	133.8	-5.2	46.7	0	0	0	0	110.5
1003	S	32.7	Very low	31.8	Very low	123 Å²	123	138.1 Å²	138.1	86%	0.86	80%	0.797	S	S	*	*			trans	-100.2	122.8	167	48	0	0	0	0	110.6
1004	L	32.9	Very low	31.6	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	81%	0.811	S	S	*	*			trans	-126.2	103.4	167.3	-106.2	169.5	0	0	0	108.3
1005	L	32.1	Very low	31.5	Very low	176 Å²	176	143.3 Å²	143.3	92%	0.921	81%	0.811	S	S	*	*			trans	-78.7	115.4	161.8	-89.9	166.7	0	0	0	108
1006	S	32.3	Very low	31.6	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	82%	0.817	S	S	*	*			trans	-132.7	81.8	159.3	-171.1	0	0	0	0	107.5
1007	E	34.3	Very low	31.8	Very low	165 Å²	165	143.7 Å²	143.7	77%	0.771	81%	0.813	S	S	*	*			trans	34.3	109.1	148.2	-63.1	174.6	156.3	0	0	119.1
1008	M	30.1	Very low	32.5	Very low	189 Å²	189	145.9 Å²	145.9	93%	0.931	81%	0.813	S	S	*	*				33.2	101.9	122.9	-62.8	174.7	65.9	0	0	118
1009	S	32.3	Very low	32.4	Very low	126 Å²	126	143.8 Å²	143.8	88%	0.881	81%	0.81	S	S	*	*			trans	-141.9	156.6	142.2	52.2	0	0	0	0	110.4
1010	S	34.9	Very low	32.5	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	81%	0.812	S	S	*	*			trans	-92.3	126.7	-150.9	42.2	0	0	0	0	116.5
1011	V	33.3	Very low	32.4	Very low	117 Å²	117	147.1 Å²	147.1	71%	0.709	82%	0.816	S	S	*	*			trans	20.8	148.4	133.9	-137.9	0	0	0	0	121.3
1012	F	27.6	Very low	32.3	Very low	187 Å²	187	146.5 Å²	146.5	82%	0.82	81%	0.812	S	S	*	*			trans	75.3	88.9	161.2	-69.5	-65.4	0	0	0	119
1013	Q	29.4	Very low	32.1	Very low	186 Å²	186	151.4 Å²	151.4	87%	0.869	82%	0.816	S	S	*	*				-161.7	114.4	103.2	-106.1	-175.3	23.5	0	0	112.4
1014	R	30.8	Very low	31.9	Very low	248 Å²	248	150.7 Å²	150.7	94%	0.936	81%	0.81	S	S	*	*			trans	-171.7	125.7	134.3	-105.2	161.5	-154.1	176.7	7.8	111.9
1015	L	30.9	Very low	31.8	Very low	163 Å²	163	151.1 Å²	151.1	85%	0.853	81%	0.808	S	S	*	*			trans	-72.8	151.9	158.1	-64.9	156.8	0	0	0	108.6
1016	L	30.9	Very low	31.5	Very low	157 Å²	157	148.3 Å²	148.3	82%	0.822	80%	0.802	S	S	*	*			trans	11.2	133.5	155.5	-59.5	174.9	0	0	0	118.2
1017	P	37.1	Very low	31.2	Very low	111 Å²	111	147.6 Å²	147.6	72%	0.721	80%	0.797	S	S	*	*				-146.9	-177.6	66.4	41.7	-24.8	0	0	0	115.6
1018	P	42.6	Very low	31	Very low	124 Å²	124	148.7 Å²	148.7	81%	0.805	80%	0.802	S	S	*	*				-133.4	138.6	127.4	36.6	-27.1	0	0	0	113.6
1019	S	28.3	Very low	31.2	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	79%	0.791	S	S	*	*			trans	-154.6	137	167.5	56.5	0	0	0	0	109.7
1020	L	31.8	Very low	31	Very low	148 Å²	148	145.7 Å²	145.7	78%	0.775	78%	0.784	S	S	*	*			trans	-77.5	157.5	-176.3	-83	71.7	0	0	0	113
1021	D	30.5	Very low	30.8	Very low	134 Å²	134	151.3 Å²	151.3	72%	0.717	79%	0.788	S	S	*	*			trans	37.5	134.6	144.1	-50.3	-19.2	0	0	0	121.3
1022	T	29.7	Very low	30.7	Very low	123 Å²	123	149.8 Å²	149.8	76%	0.755	78%	0.783	S	S	*	*				162.4	110.5	108	-67.3	0	0	0	0	112.9
1023	Y	29	Very low	30.8	Very low	211 Å²	211	147.8 Å²	147.8	83%	0.827	78%	0.78	S	S	*	*			trans	55.4	137.2	149.7	-85.1	-109.8	0	0	0	124.3
1024	S	30.1	Very low	31	Very low	107 Å²	107	143 Å²	143	75%	0.748	77%	0.768	S	S	*	*			trans	64.2	152	139.6	62.8	0	0	0	0	121.9
1025	E	29.3	Very low	31	Very low	172 Å²	172	138.7 Å²	138.7	80%	0.804	76%	0.762	S	S	*	*			cis	-172.3	152.6	-26.4	-168.9	169.1	-154.1	0	0	108
1026	C	26	Very low	31.1	Very low	118 Å²	118	136.9 Å²	136.9	80%	0.797	75%	0.749	S	S	*	*			trans	63	157.1	172.7	-73.4	0	0	0	0	117.8
1027	S	26.8	Very low	31.2	Very low	93 Å²	93	138.2 Å²	138.2	65%	0.65	74%	0.743	S	S	*	*			cis	-170.1	135.8	-16.4	48.4	0	0	0	0	111.1
1028	E	30.9	Very low	30.9	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.883	75%	0.749	S	S	*	*			trans	49.5	165.8	146.7	-48	-174	140.3	0	0	119.6
1029	V	32.8	Very low	30.4	Very low	115 Å²	115	147.7 Å²	147.7	70%	0.697	76%	0.755	S	S	*	*			cis	-152	144.1	23.3	179.1	0	0	0	0	110.3
1030	D	28.4	Very low	30.4	Very low	137 Å²	137	145.7 Å²	145.7	73%	0.733	75%	0.751	S	S	*	*			trans	36.9	149.2	157.7	-61.6	-34.2	0	0	0	123.6
1031	R	31.1	Very low	31.2	Very low	229 Å²	229	144.2 Å²	144.2	86%	0.864	75%	0.75	S	S	*	*			cis	67.8	148.9	41.3	-77.7	-173	156.9	-174.4	-5.3	114.6
1032	S	31.6	Very low	31.2	Very low	85 Å²	85	145.6 Å²	145.6	59%	0.594	76%	0.757	S	S	*	*			cis	-165	-171.7	-19.3	53	0	0	0	0	109.7
1033	N	28.9	Very low	32.2	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	76%	0.756	S	S	*	*			trans	104.2	152.7	158	-53.9	-12.8	0	0	0	118.1
1034	S	33.3	Very low	32.2	Very low	87 Å²	87	139.4 Å²	139.4	61%	0.608	75%	0.752	S	S	*	*			cis	178.4	138.4	-39.2	56.9	0	0	0	0	111.9
1035	L	32.2	Very low	32.2	Very low	156 Å²	156	143.6 Å²	143.6	82%	0.817	76%	0.757	S	S	*	*			trans	64.2	163.4	150.8	-57.2	160.3	0	0	0	116.7
1036	E	33	Very low	32	Very low	126 Å²	126	141.1 Å²	141.1	59%	0.589	75%	0.754	S	S	*	*			cis	-157.7	168.5	-12.9	-131.1	-168.5	137.1	0	0	112.7
1037	R	31.4	Very low	32.3	Very low	184 Å²	184	142.7 Å²	142.7	69%	0.694	76%	0.759	S	S	*	*			trans	73.6	111.3	145.2	-78.1	173.1	-166.7	-175.7	17.6	124.8
1038	R	32	Very low	32.3	Very low	224 Å²	224	141.9 Å²	141.9	85%	0.845	77%	0.766	S	S	*	*				49	116.3	116.4	-67.1	-179.3	169.6	-175.9	-3.8	120.4
1039	K	31.1	Very low	32.4	Very low	211 Å²	211	143.9 Å²	143.9	92%	0.917	77%	0.767	S	S	*	*				179.1	146.7	102	-99.7	179.5	179	-177.7	0	112.9
1040	G	28.8	Very low	33.1	Very low	67 Å²	67	143.7 Å²	143.7	69%	0.691	77%	0.768	S	S	*	*			trans	-101.6	-164.7	156	0	0	0	0	0	110.8
1041	P	48.2	Very low	33.4	Very low	116 Å²	116	146 Å²	146	75%	0.753	77%	0.774	S	S	*	*			cis	-139.6	172.6	19.4	44.1	-27.2	0	0	0	117.3
1042	L	30.4	Very low	33.5	Very low	164 Å²	164	138.6 Å²	138.6	86%	0.859	77%	0.769	S	S	*	*			trans	35	163.3	134.9	-63.3	173.7	0	0	0	122.9
1043	P	50.8	Low	33.6	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	78%	0.782	S	S	*	*			cis	-136.2	-171.4	-0.1	37.7	-17	0	0	0	116.6
1044	A	28.8	Very low	34.1	Very low	89 Å²	89	138.7 Å²	138.7	74%	0.736	78%	0.78	S	S	*	*			trans	88.1	95.6	140.7	0	0	0	0	0	123.6
1045	K	29.8	Very low	34.3	Very low	196 Å²	196	138.7 Å²	138.7	85%	0.852	79%	0.785	S	S	*	*				54.2	148.4	121	-87	-173	175.1	-176.1	0	124.8
1046	T	26.8	Very low	34.2	Very low	120 Å²	120	143.1 Å²	143.1	74%	0.736	79%	0.791	S	S	*	*			trans	80.6	105.8	148.5	37.2	0	0	0	0	122.7
1047	V	30.8	Very low	34.4	Very low	151 Å²	151	141 Å²	141	92%	0.915	80%	0.796	S	S	*	*				50.2	123.6	125	-176.3	0	0	0	0	120.2
1048	G	28.1	Very low	34.6	Very low	76 Å²	76	136.4 Å²	136.4	78%	0.784	80%	0.797	S	S	*	*			trans	164	112.6	156.2	0	0	0	0	0	116.3
1049	Y	32	Very low	34.7	Very low	230 Å²	230	130.5 Å²	130.5	90%	0.902	79%	0.79	S	S	*	*			trans	-77.8	156.8	160.1	-102.2	-80	0	0	0	109.7
1050	P	48	Very low	34.8	Very low	112 Å²	112	126.4 Å²	126.4	73%	0.727	78%	0.783	S	S	*	*				-153.2	-169.9	79.8	41.4	-20.1	0	0	0	117.4
1051	Q	33.9	Very low	35.2	Very low	186 Å²	186	130.4 Å²	130.4	87%	0.869	78%	0.783	S	S	*	*			trans	-69.5	174.8	-176.9	-54	137.3	-57.2	0	0	114.7
1052	G	34	Very low	34.6	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	79%	0.785	S	S	*	*			trans	-162	-12.4	178.9	0	0	0	0	0	124.3
1053	V	33.7	Very low	34.6	Very low	141 Å²	141	134.5 Å²	134.5	86%	0.855	79%	0.785	S	S	*	*			trans	55.8	113.2	159.7	-178.3	0	0	0	0	121.5
1054	A	39.6	Very low	34	Very low	89 Å²	89	136 Å²	136	74%	0.736	79%	0.787	S	S	*	*			trans	70.9	108	139.1	0	0	0	0	0	125.7
1055	A	37.1	Very low	35.1	Very low	87 Å²	87	136.7 Å²	136.7	72%	0.719	78%	0.784	S	S	*	*				61.9	141.4	112.5	0	0	0	0	0	124.5
1056	W	31	Very low	35.2	Very low	249 Å²	249	133.3 Å²	133.3	94%	0.943	78%	0.78	S	S	*	*				-175.4	149	109.5	-109.5	59.9	0	0	0	115.3
1057	A	35.7	Very low	35.4	Very low	83 Å²	83	135.4 Å²	135.4	69%	0.686	79%	0.787	S	S	*	*			trans	72	120	144.6	0	0	0	0	0	126.5
1058	A	35.8	Very low	35.5	Very low	87 Å²	87	135 Å²	135	72%	0.719	78%	0.78	S	S	*	*				86.7	82.8	116.3	0	0	0	0	0	125.7
1059	S	33.8	Very low	35.6	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	79%	0.785	S	S	*	*				59.1	149.9	104.1	70	0	0	0	0	126.6
1060	T	34.9	Very low	35.5	Very low	125 Å²	125	130.1 Å²	130.1	77%	0.767	78%	0.777	S	S	*	*			trans	82.3	149.2	154.7	71.1	0	0	0	0	120.3
1061	H	36	Very low	36.1	Very low	150 Å²	150	130.8 Å²	130.8	69%	0.694	78%	0.781	S	S	*	*			cis	-169.2	150.5	-29.5	-125.1	-62.1	0	0	0	112.6
1062	F	35.1	Very low	37.3	Very low	180 Å²	180	127.3 Å²	127.3	79%	0.789	78%	0.775	S	S	*	*			trans	61.6	163.8	159.5	-77.3	-62	0	0	0	119
1063	Q	31.7	Very low	37.1	Very low	187 Å²	187	132.3 Å²	132.3	87%	0.874	78%	0.783	S	S	*	*			cis	-148.2	-165.1	20.7	-143.5	169.7	31.6	0	0	114.7
1064	N	36.9	Very low	37	Very low	145 Å²	145	128.6 Å²	128.6	78%	0.775	77%	0.773	S	S	*	*			trans	-79.1	179.9	-165.7	-123.8	-10.7	0	0	0	115.2
1065	P	51.9	Low	36.5	Very low	104 Å²	104	130.1 Å²	130.1	68%	0.675	77%	0.774	S	S	*	*			cis	-154.4	164	39.6	45.3	-23.4	0	0	0	122.3
1066	T	32.6	Very low	36.3	Very low	124 Å²	124	134.7 Å²	134.7	76%	0.761	78%	0.78	S	S	*	*			trans	43.6	133.9	142.5	58.8	0	0	0	0	124.6
1067	N	32	Very low	36.2	Very low	165 Å²	165	127.6 Å²	127.6	88%	0.882	77%	0.768	S	S	*	*				-163.9	174.3	96	-144.6	-10	0	0	0	113.5
1068	N	32.8	Very low	35.9	Very low	143 Å²	143	128.8 Å²	128.8	77%	0.765	77%	0.772	S	S	*	*			trans	-151.6	151.4	-164.1	-170.7	20	0	0	0	114.7
1069	C	29.1	Very low	35.7	Very low	131 Å²	131	131.4 Å²	131.4	89%	0.885	78%	0.778	S	S	*	*			trans	-160	155.4	166.7	-104.2	0	0	0	0	111.6
1070	G	29.5	Very low	35.5	Very low	72 Å²	72	135 Å²	135	74%	0.742	78%	0.784	S	S	*	*			trans	-155.4	-170.3	-160.9	0	0	0	0	0	121.1
1071	P	61.3	Low	35.8	Very low	126 Å²	126	135.1 Å²	135.1	82%	0.818	79%	0.787	S	S	*	*			trans	-99.4	-158.5	-166.8	45.6	-41.1	0	0	0	112
1072	P	58	Low	35.5	Very low	112 Å²	112	133 Å²	133	73%	0.727	79%	0.789	S	S	*	*			cis	-143.5	174.1	2.5	44.3	-25.7	0	0	0	119
1073	L	31.1	Very low	35.3	Very low	178 Å²	178	128.6 Å²	128.6	93%	0.932	78%	0.781	S	S	*	*			trans	-161.5	145.3	144.4	-121.3	77.1	0	0	0	106.2
1074	G	31	Very low	35.2	Very low	63 Å²	63	128.5 Å²	128.5	65%	0.649	78%	0.777	S	S	*	*			cis	121.7	123.7	9.2	0	0	0	0	0	109.7
1075	T	29.6	Very low	34.9	Very low	122 Å²	122	132.3 Å²	132.3	75%	0.748	78%	0.781	S	S	*	*			cis	-165.5	151.7	7.5	42.5	0	0	0	0	112.6
1076	H	32.1	Very low	33.9	Very low	182 Å²	182	135.2 Å²	135.2	84%	0.843	79%	0.79	S	S	*	*			trans	65.7	149	158.3	-66	-53.9	0	0	0	119.3
1077	S	29.5	Very low	34.7	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	79%	0.787	S	S	*	*			cis	-159	158.3	1.1	46.9	0	0	0	0	114.9
1078	S	29.6	Very low	34.7	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	79%	0.785	S	S	*	*			trans	93.4	146.9	146.1	79.2	0	0	0	0	121.9
1079	V	30.7	Very low	34.5	Very low	141 Å²	141	132.9 Å²	132.9	86%	0.855	79%	0.789	S	S	*	*			trans	73.8	136.8	170.2	-165.8	0	0	0	0	118.1
1080	Q	30.1	Very low	34.8	Very low	176 Å²	176	135.2 Å²	135.2	82%	0.822	79%	0.787	S	S	*	*			trans	-101	146.8	-175.5	-59.9	167.8	-88	0	0	112.3
1081	P	41.9	Very low	34.8	Very low	127 Å²	127	140.4 Å²	140.4	83%	0.825	79%	0.792	S	S	*	*			trans	-115.4	122.2	165.9	35.6	-24.8	0	0	0	113.4
1082	S	28.4	Very low	33.4	Very low	105 Å²	105	142 Å²	142	73%	0.734	79%	0.792	S	S	*	*			trans	-172.8	145.5	171.2	52.9	0	0	0	0	111.3
1083	S	30.8	Very low	33.1	Very low	88 Å²	88	141.7 Å²	141.7	62%	0.615	79%	0.79	S	S	*	*			cis	-177.9	157.6	-10.1	54.9	0	0	0	0	111.5
1084	K	31.1	Very low	33.1	Very low	186 Å²	186	141.6 Å²	141.6	81%	0.809	79%	0.785	S	S	*	*			trans	71.5	159.5	157.1	-71.8	170.9	-179.7	-175.5	0	115
1085	W	29.4	Very low	33	Very low	224 Å²	224	144.8 Å²	144.8	85%	0.848	79%	0.787	S	S	*	*			cis	-139.4	152.5	34.6	-81.8	66.7	0	0	0	117.2
1086	L	30.9	Very low	33.2	Very low	165 Å²	165	148.1 Å²	148.1	86%	0.864	79%	0.787	S	S	*	*			trans	-134.9	145.3	152.4	-82	168.7	0	0	0	105.3
1087	P	49.1	Very low	33.3	Very low	108 Å²	108	146.6 Å²	146.6	70%	0.701	78%	0.78	S	S	*	*				-148.5	-175.5	94.6	27	-3.7	0	0	0	112.6
1088	A	33.2	Very low	33.5	Very low	101 Å²	101	151.1 Å²	151.1	84%	0.835	79%	0.79	S	S	*	*			cis	-163.8	-176.4	-27.1	0	0	0	0	0	107.9
1089	M	28.3	Very low	33.7	Very low	174 Å²	174	152.6 Å²	152.6	86%	0.857	79%	0.79	S	S	*	*			trans	-142.3	179.4	176.6	-160.2	168.7	71.8	0	0	109.7
1090	E	35.6	Very low	33.9	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	78%	0.784	S	S	*	*			trans	78	146.2	-169.1	-54.5	174.7	139.7	0	0	112.2
1091	E	28.9	Very low	33.9	Very low	181 Å²	181	152.4 Å²	152.4	85%	0.846	78%	0.782	S	S	*	*			cis	-146.8	168.8	19.2	-153.4	169	-143.2	0	0	111.1
1092	I	32.8	Very low	33.4	Very low	160 Å²	160	151.9 Å²	151.9	82%	0.821	77%	0.772	S	S	*	*			trans	-147.5	123.1	-172	-61.2	174.5	0	0	0	110.7
1093	P	51	Low	33.4	Very low	106 Å²	106	152.9 Å²	152.9	69%	0.688	77%	0.769	S	S	*	*				-155.5	-177	117.7	42.8	-25.3	0	0	0	116.6
1094	E	31.3	Very low	33.4	Very low	176 Å²	176	153.9 Å²	153.9	82%	0.822	77%	0.771	S	S	*	*			trans	71.2	144.4	159.3	-70.5	-177.6	-153.7	0	0	120.8
1095	N	29.8	Very low	33.2	Very low	129 Å²	129	151.9 Å²	151.9	69%	0.69	77%	0.768	S	S	*	*			cis	-167.8	161.8	-33.9	-137.5	0.5	0	0	0	112.3
1096	Y	33.6	Very low	33.1	Very low	193 Å²	193	146.9 Å²	146.9	76%	0.757	76%	0.759	S	S	*	*			trans	72.2	153.6	161	-89.7	-75.3	0	0	0	122.5
1097	E	34.6	Very low	33	Very low	149 Å²	149	146.1 Å²	146.1	70%	0.696	75%	0.75	S	S	*	*			trans	-93.3	162.8	-175.1	-51.7	118.1	145.6	0	0	113.7
1098	E	31.8	Very low	32	Very low	195 Å²	195	148.3 Å²	148.3	91%	0.911	76%	0.755	S	S	*	*				-172.7	157.6	129.4	-105.9	174.6	-164.9	0	0	110.4
1099	D	33.8	Very low	31.7	Very low	141 Å²	141	151.3 Å²	151.3	75%	0.754	76%	0.757	S	S	*	*			trans	-105.9	166.2	-156	-59.5	-64.3	0	0	0	116.9
1100	D	36	Very low	31.9	Very low	134 Å²	134	150.6 Å²	150.6	72%	0.717	76%	0.757	S	S	*	*			trans	62.8	131	143.2	-75.9	-8.3	0	0	0	124.5
1101	F	30	Very low	31.5	Very low	178 Å²	178	145.4 Å²	145.4	78%	0.781	75%	0.752	S	S	*	*			trans	43.9	148.8	138	-70	-95.9	0	0	0	121.1
1102	D	31.1	Very low	31.6	Very low	117 Å²	117	146.3 Å²	146.3	63%	0.626	75%	0.753	S	S	*	*			cis	-165.7	176.4	21.6	-152.6	-7.1	0	0	0	113.8
1103	N	28.8	Very low	31.8	Very low	125 Å²	125	147.1 Å²	147.1	67%	0.668	75%	0.753	S	S	*	*			trans	69.1	156.1	149.2	-74	-56.3	0	0	0	121.8
1104	V	30.5	Very low	31	Very low	109 Å²	109	149 Å²	149	66%	0.661	75%	0.753	S	S	*	*			cis	-169.4	135.6	-44.1	120.6	0	0	0	0	111.6
1105	L	26.7	Very low	31.1	Very low	144 Å²	144	148 Å²	148	75%	0.754	75%	0.752	S	S	*	*			trans	49.9	166.3	158.9	-94.8	73	0	0	0	124.4
1106	N	27.7	Very low	31.8	Very low	120 Å²	120	149.2 Å²	149.2	64%	0.642	76%	0.756	S	S	*	*			trans	81.5	139.4	159.5	-60.6	-28.8	0	0	0	118.6
1107	H	28.5	Very low	32.1	Very low	149 Å²	149	146.6 Å²	146.6	69%	0.69	75%	0.754	S	S	*	*			cis	-156.2	152	-6	-117.3	-29.3	0	0	0	112.3
1108	L	28.7	Very low	32.9	Very low	153 Å²	153	142.3 Å²	142.3	80%	0.801	75%	0.745	S	S	*	*			trans	8.6	130.4	150.8	-63.5	163.8	0	0	0	120.3
1109	N	26.9	Very low	33.9	Very low	164 Å²	164	137.5 Å²	137.5	88%	0.877	73%	0.732	S	S	*	*				-158.8	164.7	115.7	-143.1	-12.7	0	0	0	114
1110	D	31	Very low	35	Very low	159 Å²	159	137.4 Å²	137.4	85%	0.85	73%	0.727	S	S	*	*			trans	-74.7	154.3	-179.6	-113.8	-49.2	0	0	0	114.5
1111	G	28.1	Very low	36.3	Very low	72 Å²	72	136.2 Å²	136.2	74%	0.742	72%	0.721	S	S	*	*			trans	174.2	103.2	171.1	0	0	0	0	0	115.7
1112	K	31.9	Very low	38.1	Very low	200 Å²	200	131.8 Å²	131.8	87%	0.87	71%	0.708	S	S	*	*			trans	-73.5	134.9	171.2	-63	176.9	-179.9	175.3	0	111.5
1113	H	36.1	Very low	39.5	Very low	177 Å²	177	129.4 Å²	129.4	82%	0.819	71%	0.705	S	S	*	*				-159.5	177.3	128.1	-111.4	-65.3	0	0	0	111.4
1114	E	33.1	Very low	41.3	Very low	146 Å²	146	129.2 Å²	129.2	68%	0.682	70%	0.7	S	S	*	*			trans	-110.9	162.4	-161.7	-55.5	143.7	106.7	0	0	112.3
1115	L	34.6	Very low	43.2	Very low	155 Å²	155	128.1 Å²	128.1	81%	0.812	69%	0.689	S	S	*	*			trans	57.2	140.6	152	-67.6	156.5	0	0	0	116.9
1116	M	43.3	Very low	45.1	Very low	154 Å²	154	125.9 Å²	125.9	76%	0.759	68%	0.678	S	S	*	*			cis	-165.4	158.2	37.7	-149.8	154.9	168.5	0	0	109
1117	D	40.8	Very low	46.9	Very low	137 Å²	137	126.4 Å²	126.4	73%	0.733	68%	0.675	S	S	*	*			trans	-87.2	143.3	-178.4	-168.8	10	0	0	0	112.6	S1119	D1117-S1119 VanDerWaalsContact C-N 3.29Å; D1117-S1119 PolarHBondContact O-N 2.73Å; D1117-S1119 VanDerWaalsContact O-N 3.14Å
1118	A	51.1	Low	48.6	Very low	59 Å²	59	124.7 Å²	124.7	49%	0.488	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	7.2	-159.4	0	0	0	0	0	115.8	E1120 L1121	A1118-E1120 VanDerWaalsContact C-N 3.33Å; A1118-E1120 PolarHBondContact O-N 2.74Å; A1118-L1121 PolarHBondContact O-N 3.09Å
1119	S	53.4	Low	50.4	Low	94 Å²	94	122.9 Å²	122.9	66%	0.657	66%	0.66	S	S	*	*	H	α-helix	trans	-68.4	-26.9	-175.5	57.8	0	0	0	0	114.4	D1117	D1117-S1119 VanDerWaalsContact C-N 3.29Å; D1117-S1119 PolarHBondContact O-N 2.73Å; D1117-S1119 VanDerWaalsContact O-N 3.14Å
1120	E	56.3	Low	52.2	Low	139 Å²	139	122 Å²	122	65%	0.65	65%	0.651	S	S	*	*	H	α-helix	trans	-77.4	-35.3	177.1	-163	158	-145.6	0	0	111.8	A1118 V1122 A1123 E1124	A1118-E1120 VanDerWaalsContact C-N 3.33Å; A1118-E1120 PolarHBondContact O-N 2.74Å; E1120-V1122 VanDerWaalsContact C-N 3.34Å; E1120-V1122 PolarHBondContact O-N 3.27Å; E1120-A1123 WeakPolarHBondContact O-CB 3.2Å; E1120-A1123 PolarHBondContact O-N 2.93Å; E1120-A1123 VanDerWaalsContact O-N 3.12Å; E1120-E1124 PolarHBondContact O-N 3.48Å
1121	L	62.6	Low	53.8	Low	109 Å²	109	119.6 Å²	119.6	57%	0.571	64%	0.638	S	S	*	*	H	α-helix	trans	-60.9	-40.3	178.4	-164.5	78.3	0	0	0	112.4	A1118 A1123 E1124 I1125	A1118-L1121 PolarHBondContact O-N 3.09Å; L1121-A1123 VanDerWaalsContact C-N 3.26Å; L1121-A1123 PolarHBondContact O-N 3.23Å; L1121-E1124 PolarHBondContact O-N 3.34Å; L1121-I1125 HydrophobicContact CD2-CD1 4.34Å; L1121-I1125 HydrophobicContact CG-CD1 4.07Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.36Å; L1121-I1125 PolarHBondContact O-N 3.2Å; L1121-I1125 VanDerWaalsContact O-N 3.08Å
1122	V	69.3	Low	55.6	Low	85 Å²	85	121 Å²	121	52%	0.515	63%	0.632	S	S	.	*	H	α-helix	trans	-68.6	-26.6	179.2	179.6	0	0	0	0	111.7	E1120 N1126	E1120-V1122 VanDerWaalsContact C-N 3.34Å; E1120-V1122 PolarHBondContact O-N 3.27Å; V1122-N1126 PolarHBondContact O-N 3.31Å; V1122-N1126 PolarHBondContact O-ND2 3.15Å
1123	A	60.5	Low	56.8	Low	68 Å²	68	122.3 Å²	122.3	56%	0.562	63%	0.632	S	S	*	*	H	α-helix	trans	-72.6	-39.1	175	0	0	0	0	0	112.2	E1120 L1121 K1127	E1120-A1123 WeakPolarHBondContact O-CB 3.2Å; E1120-A1123 PolarHBondContact O-N 2.93Å; E1120-A1123 VanDerWaalsContact O-N 3.12Å; L1121-A1123 VanDerWaalsContact C-N 3.26Å; L1121-A1123 PolarHBondContact O-N 3.23Å; A1123-K1127 PolarHBondContact O-N 2.9Å
1124	E	66	Low	57.8	Low	121 Å²	121	122.8 Å²	122.8	57%	0.565	63%	0.634	S	S	*	*	H	α-helix	trans	-72.8	-37.4	176.1	-70.1	-158.5	121.4	0	0	113.1	E1120 L1121 N1126 K1127 L1128	E1120-E1124 PolarHBondContact O-N 3.48Å; L1121-E1124 PolarHBondContact O-N 3.34Å; E1124-N1126 VanDerWaalsContact C-N 3.35Å; E1124-N1126 PolarHBondContact O-N 2.83Å; E1124-K1127 WeakPolarHBondContact O-CB 3.39Å; E1124-K1127 PolarHBondContact O-N 3.23Å; E1124-K1127 VanDerWaalsContact O-N 3.11Å; E1124-L1128 PolarHBondContact O-N 2.89Å
1125	I	71.6	Confident	58.2	Low	85 Å²	85	123.5 Å²	123.5	44%	0.436	66%	0.655	S	S	.	*	H	α-helix	trans	-61	-42.5	177.5	-70.5	166.1	0	0	0	111.5	L1121 K1127 L1128 L1129	L1121-I1125 HydrophobicContact CD2-CD1 4.34Å; L1121-I1125 HydrophobicContact CG-CD1 4.07Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.36Å; L1121-I1125 PolarHBondContact O-N 3.2Å; L1121-I1125 VanDerWaalsContact O-N 3.08Å; I1125-K1127 VanDerWaalsContact C-N 3.27Å; I1125-K1127 PolarHBondContact O-N 2.67Å; I1125-L1128 PolarHBondContact O-N 2.79Å; I1125-L1129 HydrophobicContact CG2-CD1 4.22Å; I1125-L1129 PolarHBondContact O-N 3.35Å; I1125-L1129 VanDerWaalsContact O-N 3.1Å
1126	N	65.5	Low	59.4	Low	98 Å²	98	121.9 Å²	121.9	52%	0.524	65%	0.647	S	S	.	*	H	α-helix	trans	-68.1	-26.2	176.9	-79.2	-73.6	0	0	0	113.2	V1122 E1124	V1122-N1126 PolarHBondContact O-N 3.31Å; V1122-N1126 PolarHBondContact O-ND2 3.15Å; E1124-N1126 VanDerWaalsContact C-N 3.35Å; E1124-N1126 PolarHBondContact O-N 2.83Å
1127	K	65.6	Low	60.3	Low	131 Å²	131	120.2 Å²	120.2	57%	0.57	64%	0.642	S	S	*	*	H	α-helix	trans	-75.8	-45.4	175.4	-170.8	-179.4	175.1	-169.1	0	111.5	A1123 E1124 I1125 L1129 Q1130 D1131	A1123-K1127 PolarHBondContact O-N 2.9Å; E1124-K1127 WeakPolarHBondContact O-CB 3.39Å; E1124-K1127 PolarHBondContact O-N 3.23Å; E1124-K1127 VanDerWaalsContact O-N 3.11Å; I1125-K1127 VanDerWaalsContact C-N 3.27Å; I1125-K1127 PolarHBondContact O-N 2.67Å; K1127-L1129 VanDerWaalsContact C-N 3.27Å; K1127-L1129 PolarHBondContact O-N 2.8Å; K1127-Q1130 PolarHBondContact O-N 3.29Å; K1127-D1131 PolarHBondContact O-N 2.78Å
1128	L	64.6	Low	61.3	Low	112 Å²	112	119.3 Å²	119.3	59%	0.586	64%	0.636	S	S	*	*	H	α-helix	trans	-58.5	-37	173.3	-83.5	161.5	0	0	0	112.6	E1124 I1125 Q1130 D1131 V1132	E1124-L1128 PolarHBondContact O-N 2.89Å; I1125-L1128 PolarHBondContact O-N 2.79Å; L1128-Q1130 VanDerWaalsContact C-N 3.25Å; L1128-Q1130 PolarHBondContact O-N 2.78Å; L1128-D1131 PolarHBondContact O-N 2.9Å; L1128-V1132 WeakPolarHBondContact O-CG2 3.34Å; L1128-V1132 PolarHBondContact O-N 3.35Å
1129	L	65.9	Low	61.9	Low	115 Å²	115	122.8 Å²	122.8	60%	0.602	65%	0.645	S	S	*	*	H	α-helix	trans	-69.8	-15.3	174.8	-78.7	166.9	0	0	0	114.6	I1125 K1127	I1125-L1129 HydrophobicContact CG2-CD1 4.22Å; I1125-L1129 PolarHBondContact O-N 3.35Å; I1125-L1129 VanDerWaalsContact O-N 3.1Å; K1127-L1129 VanDerWaalsContact C-N 3.27Å; K1127-L1129 PolarHBondContact O-N 2.8Å
1130	Q	65.1	Low	62.5	Low	147 Å²	147	124.6 Å²	124.6	69%	0.687	64%	0.644	S	S	*	*	H	α-helix	trans	-86.5	-42.3	170.1	-77.4	-171.5	-38.3	0	0	112.2	K1127 L1128 V1132 R1133	K1127-Q1130 PolarHBondContact O-N 3.29Å; L1128-Q1130 VanDerWaalsContact C-N 3.25Å; L1128-Q1130 PolarHBondContact O-N 2.78Å; Q1130-V1132 PolarHBondContact O-N 2.79Å; Q1130-R1133 WeakPolarHBondContact O-CB 3.17Å; Q1130-R1133 PolarHBondContact O-N 3.41Å; Q1130-R1133 VanDerWaalsContact O-N 3.09Å
1131	D	63.6	Low	62.9	Low	107 Å²	107	123.7 Å²	123.7	57%	0.572	64%	0.644	S	S	*	*	H	α-helix	trans	-66.9	-36	-178.2	-70.9	-24.3	0	0	0	112.4	K1127 L1128 R1133 Q1134	K1127-D1131 PolarHBondContact O-N 2.78Å; L1128-D1131 PolarHBondContact O-N 2.9Å; D1131-R1133 PolarHBondContact O-N 3.31Å; D1131-Q1134 PolarHBondContact O-N 2.68Å; D1131-Q1134 VanDerWaalsContact O-N 3.08Å
1132	V	66.1	Low	62.9	Low	102 Å²	102	124.7 Å²	124.7	62%	0.618	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-64.5	-9.7	174	173.8	0	0	0	0	113	L1128 Q1130 S1135	L1128-V1132 WeakPolarHBondContact O-CG2 3.34Å; L1128-V1132 PolarHBondContact O-N 3.35Å; Q1130-V1132 PolarHBondContact O-N 2.79Å; V1132-S1135 PolarHBondContact O-OG 2.88Å
1133	R	58.6	Low	62.4	Low	228 Å²	228	127.8 Å²	127.8	86%	0.86	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-93.7	6.4	174.3	-109.3	179.8	178.7	176.8	1.5	114.6	Q1130 D1131	Q1130-R1133 WeakPolarHBondContact O-CB 3.17Å; Q1130-R1133 PolarHBondContact O-N 3.41Å; Q1130-R1133 VanDerWaalsContact O-N 3.09Å; D1131-R1133 PolarHBondContact O-N 3.31Å
1134	Q	56.4	Low	62.6	Low	187 Å²	187	132.8 Å²	132.8	87%	0.874	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-116.4	21.5	169.8	-64.7	-162.7	-10.4	0	0	113.6	D1131	D1131-Q1134 PolarHBondContact O-N 2.68Å; D1131-Q1134 VanDerWaalsContact O-N 3.08Å
1135	S	41.7	Very low	62.3	Low	160 Å²	160	133.8 Å²	133.8	100%	1.119	68%	0.677	S	S	*	*			trans	-121.9	0	168.7	63.7	0	0	0	0	111.5	V1132	V1132-S1135 PolarHBondContact O-OG 2.88Å

Retrieved 1,135 of 1,135 residues in 192.3 ms (Link to these results)

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