A0A087XPV5_POEFO Loading...

Brevican

AlphaFold DB , UniProt , Accession A0A087XPV5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,184 aa.

						>A0A087XPV5_POEFO|A0A087XPV5
FRWKMLHKTSKKHSQILVDISTQLPSDDVRQLKLDIPHSGPIHVPLGSSISIPCFVSLSSSSSSSPSVIPRVKWTVVSGGIETQILVARSSRVKINEAYRDRVALLNYTSSPEDVSLWLGDLRHSDSGHYRCEVQQGLEDASKVVQVKVKGVVFHYRDALGRYSFSFQQAQRACEGIGAQVATPDQLLAAYFDGYEQCDAGWLADQSVRYPIQVPREGCYGDMDGQPGVRNYGTMDPDDLFDVYCYIEQIHGKVFYDPVPQQLSFDEAQSYCGAAGAQLATTAQLYSAWSEGLDRCSPGWLSDGSVRYPIVIPRERCGGPQAGVKTLYRFSNQTGFPEPSALHDVYCFKAPSRTTLQIMYRNKKERVNIFQNNITLNNPFSKLRFLAGHGETFTESPVDHLITEAENLQENVVILMEREQEIHLNQLEKQVEREAQSELESLPLLPESLTTEDPLDRNQTVTSDRAESFPTAAYASGFVKTLNESTEKRYDSQHLTEAAVSTISTTNTFDSTQSTMIPPGDYNGTDLHRNLSFTFHTSEFERSTYKPQTENQTASDTNSTESLQSTEQTIQYQEIHETSLDKSHTNYSETKNNRTDVDVEEAFWEGTTLAAGPLLQMDTTQASQDKGSPATQETPTTKLTSKAYSVWTPSDGSGDIFQAKLKTLQISLQKHKILPMVFVKYVKMLVLSYFRCTNKFKISCFLIDRYLSFSSLRHTDFFKQVSSKREFETEAATFTSSSQSSAAGFTAKPVGSAVASTTPQREAPDPTLSSVSRHEGSTSSDTEEVDATQAPEQKTFIVFPTPGKEENKSTSIEEEAKFSSTAVPKEEANASQSTEKIAPTFVLEVETKVTPTVILVEEAKEESTVTPNITFEEKAKFDSTLVLEEEASFTPSVNLTQPPTLHNLPKERAAVGGTGAFSDACLDDPCLNGGTCTERDGHIKCLCLPTYGGRFCQSDLERCEPGWDKFHGFCYRHFSQRQSWEVAERHCRTQGAHLVSIMTPEEQDYINSNYKEYQWTGLNDKTVEDDFRWSDGNPLLYENWYRGQPDSYFLSGEDCVVMVWHDNGRWSDVPCNYHLAYTCKKGTSSCGPPPKVRNASIFGKTRVRYETNAVVRYRCSEGFQQRLNPVVRCLSGGRWERPQILCIPEGGEIMQHLGMLSQTDSNFSAAETEFEATKETPQYWDIKF
					

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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	F	34.2	Very low	26	Very low	254 Å²	254	171.4 Å²	171.4	100%	1.114	80%	0.795	S	S	*	*				0	108.9	0	-63.5	-100	0	0	0	106.3
2	R	24.3	Very low	25.9	Very low	233 Å²	233	172.4 Å²	172.4	88%	0.879	80%	0.796	S	S	*	*				55.6	123.9	68.1	-71.8	-167.3	175.5	-170.7	-0.3	111.4
3	W	23.2	Very low	25.9	Very low	198 Å²	198	172.6 Å²	172.6	75%	0.75	80%	0.797	S	S	*	*			cis	-155.5	137.1	-6.3	-136.7	55.8	0	0	0	105.8	M5	W3-M5 HydrophobicContact CH2-CE 3.84Å; W3-M5 HydrophobicContact CZ2-CE 4.16Å; W3-M5 HydrophobicContact CZ3-CE 4.21Å
4	K	28.1	Very low	25.9	Very low	162 Å²	162	166.5 Å²	166.5	70%	0.704	78%	0.783	S	S	*	*				68	121.5	61.9	-125.1	-166.7	-177.5	178.5	0	115.5
5	M	26.2	Very low	26.3	Very low	125 Å²	125	167.1 Å²	167.1	62%	0.616	79%	0.786	S	S	*	*			trans	64.9	125.1	158.6	-52.9	-171.5	-57.4	0	0	120.6	W3	W3-M5 HydrophobicContact CH2-CE 3.84Å; W3-M5 HydrophobicContact CZ2-CE 4.16Å; W3-M5 HydrophobicContact CZ3-CE 4.21Å
6	L	27.2	Very low	26.4	Very low	156 Å²	156	165.4 Å²	165.4	82%	0.817	78%	0.782	S	S	*	*				-128.6	156.5	107.1	-76.5	-179.8	0	0	0	109.9
7	H	24.3	Very low	26.2	Very low	163 Å²	163	164.8 Å²	164.8	76%	0.755	78%	0.783	S	S	*	*			trans	-16.8	137.4	-178.5	-60.4	-96.5	0	0	0	119.2
8	K	23.8	Very low	27	Very low	181 Å²	181	161.9 Å²	161.9	79%	0.787	78%	0.778	S	S	*	*			cis	81	119.3	28.9	-157.6	-178.8	-175.1	-176	0	115
9	T	23.5	Very low	26.8	Very low	116 Å²	116	159.7 Å²	159.7	71%	0.712	77%	0.771	S	S	*	*			trans	69.2	92.7	164.8	42.3	0	0	0	0	121.3
10	S	25.7	Very low	26.9	Very low	122 Å²	122	158.4 Å²	158.4	85%	0.853	77%	0.766	S	S	*	*				-152.3	112	117	-165.6	0	0	0	0	107.1
11	K	25.7	Very low	27.2	Very low	175 Å²	175	156.3 Å²	156.3	76%	0.761	77%	0.768	S	S	*	*			cis	100.4	99.8	25.1	-159.9	-176.6	-171.4	-174.8	0	112
12	K	25	Very low	27	Very low	184 Å²	184	150 Å²	150	80%	0.8	75%	0.751	S	S	*	*			trans	71.2	143.4	-172.1	-51.1	-176.5	176.2	-171	0	113.3
13	H	26.1	Very low	28.1	Very low	175 Å²	175	147.8 Å²	147.8	81%	0.81	75%	0.75	S	S	*	*			cis	-107.5	134.9	3.9	-100.7	-108.7	0	0	0	113.8
14	S	25.6	Very low	28.4	Very low	87 Å²	87	146.4 Å²	146.4	61%	0.608	76%	0.756	S	S	*	*			trans	-77.2	130.4	145.7	50.1	0	0	0	0	107.3
15	Q	31.3	Very low	29.2	Very low	175 Å²	175	144.1 Å²	144.1	82%	0.818	76%	0.758	S	S	*	*				81.5	150.4	80.1	-158.6	-177.8	18.8	0	0	112.1
16	I	27.7	Very low	30.1	Very low	141 Å²	141	143.3 Å²	143.3	72%	0.723	77%	0.765	S	S	*	*			trans	77.9	113.1	177.3	-48	167.5	0	0	0	114.3
17	L	22.8	Very low	30.4	Very low	154 Å²	154	142.8 Å²	142.8	81%	0.806	76%	0.763	S	S	*	*				-138.4	111.8	125.8	-132.5	141.8	0	0	0	108.1	D19	L17-D19 WeakPolarHBondContact CD2-OD2 3.44Å
18	V	40.5	Very low	31.3	Very low	113 Å²	113	141.8 Å²	141.8	69%	0.685	76%	0.763	S	S	*	*			trans	-100.3	133.8	160	169.8	0	0	0	0	104.5
19	D	24.7	Very low	32.5	Very low	120 Å²	120	139 Å²	139	64%	0.642	76%	0.761	S	S	*	*			trans	-147	124.6	151.3	-88.3	-44.4	0	0	0	106.8	L17	L17-D19 WeakPolarHBondContact CD2-OD2 3.44Å
20	I	28.9	Very low	33.9	Very low	134 Å²	134	138.2 Å²	138.2	69%	0.687	75%	0.745	S	S	*	*				72	121.5	71.8	-66.6	-176.8	0	0	0	111.3	T22	I20-T22 HydrophobicContact CG2-CG2 4.25Å
21	S	32.1	Very low	35.8	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	74%	0.736	S	S	*	*			trans	-106.8	131	174.4	179.7	0	0	0	0	109.4
22	T	31	Very low	38.4	Very low	123 Å²	123	131.4 Å²	131.4	76%	0.755	70%	0.703	S	S	*	*			trans	-131.5	123.8	172.6	49	0	0	0	0	109.5	I20	I20-T22 HydrophobicContact CG2-CG2 4.25Å
23	Q	46.1	Very low	41.2	Very low	186 Å²	186	128.8 Å²	128.8	87%	0.869	69%	0.691	S	S	*	*			trans	-87.3	126.9	176.7	-70.6	-178.5	-31.5	0	0	111.6
24	L	30.5	Very low	44	Very low	168 Å²	168	120.7 Å²	120.7	88%	0.88	65%	0.654	S	S	*	*			trans	-135.2	158.8	147.1	-87.2	176.5	0	0	0	107.9
25	P	45.6	Very low	46.9	Very low	114 Å²	114	120.1 Å²	120.1	74%	0.74	64%	0.644	S	S	*	*			trans	-94.8	156.5	-146.7	35.2	-37.4	0	0	0	115.8
26	S	44.3	Very low	49.4	Very low	109 Å²	109	112.8 Å²	112.8	76%	0.762	61%	0.61	S	S	*	*			trans	63.5	82.7	158.1	-170.4	0	0	0	0	117.3
27	D	33.2	Very low	51.9	Low	145 Å²	145	110.1 Å²	110.1	78%	0.775	60%	0.602	S	S	*	*				-145.5	138.5	113.9	-99.3	-29.1	0	0	0	109.3	V29	D27-V29 PolarHBondContact O-N 2.92Å
28	D	42.8	Very low	54.3	Low	142 Å²	142	106.2 Å²	106.2	76%	0.759	58%	0.58	S	S	*	*			trans	-77.1	75.6	178.2	-86.6	-36.8	0	0	0	110.1	R30	D28-R30 PolarHBondContact O-N 3.31Å
29	V	48.9	Very low	55.5	Low	123 Å²	123	107.2 Å²	107.2	75%	0.745	59%	0.592	S	S	*	*			trans	-66.4	120.2	171.4	-176.8	0	0	0	0	108.7	D27 Q31	D27-V29 PolarHBondContact O-N 2.92Å; V29-Q31 PolarHBondContact O-N 2.82Å
30	R	54.2	Low	58.2	Low	99 Å²	99	103 Å²	103	37%	0.374	58%	0.577	S	S	.	*			trans	-56.9	134.7	172.6	-64.2	177.8	-179.2	174.1	-2.2	109.2	D28 S61 S62	D28-R30 PolarHBondContact O-N 3.31Å; R30-S61 PolarHBondContact NE-O 2.96Å; R30-S61 PolarHBondContact NH2-O 2.76Å; R30-S62 PolarHBondContact NH2-O 2.84Å
31	Q	65.6	Low	61	Low	143 Å²	143	99.3 Å²	99.3	67%	0.668	56%	0.561	S	S	*	*			trans	-138.2	106.6	179.9	-174.1	170.6	59.6	0	0	110.2	V29 K33 S59 E139	V29-Q31 PolarHBondContact O-N 2.82Å; Q31-K33 PolarHBondContact O-N 3.44Å; Q31-S59 PolarHBondContact N-OG 3.37Å; Q31-S59 PolarHBondContact O-OG 2.95Å; Q31-E139 WeakPolarHBondContact CA-OE2 3.32Å
32	L	79.6	Confident	63.8	Low	11 Å²	11	95 Å²	95	6%	0.058	53%	0.529	C	S	.	.			trans	-54.5	121.7	166.6	-175.5	68.7	0	0	0	110.2	V56 L58 V134 Q136 E139 A141	L32-V56 HydrophobicContact CD1-CG1 3.46Å; L32-V56 VanDerWaalsContact CD1-CG1 3.46Å; L32-L58 HydrophobicContact CD1-CD2 4.11Å; L32-V134 HydrophobicContact CD2-CG1 4.31Å; L32-V134 WeakPolarHBondContact CD2-O 3.35Å; L32-Q136 HydrophobicContact CD1-CB 4.42Å; L32-Q136 HydrophobicContact CD2-CB 4.2Å; L32-E139 HydrophobicContact CB-CB 3.96Å; L32-E139 WeakPolarHBondContact CB-OE2 3.39Å; L32-E139 HydrophobicContact CD2-CB 4.35Å; L32-E139 PolarHBondContact N-OE2 3.15Å; L32-A141 HydrophobicContact CD2-CB 4.08Å; L32-A141 HydrophobicContact CG-CB 4.09Å
33	K	83.3	Confident	66.6	Low	128 Å²	128	93.7 Å²	93.7	56%	0.557	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.3	-178	177.7	-169.8	172.3	-162.4	0	110.9	Q31 S57	Q31-K33 PolarHBondContact O-N 3.44Å; K33-S57 WeakPolarHBondContact CB-OG 3.39Å; K33-S57 PolarHBondContact N-O 2.88Å; K33-S57 PolarHBondContact O-N 3.44Å; K33-S57 PolarHBondContact O-OG 3.4Å
34	L	86.6	Confident	68.6	Low	5 Å²	5	85.5 Å²	85.5	3%	0.026	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.4	170.6	-63	-179.1	0	0	0	111.8	F55 V56 V134 A141 K143	L34-F55 WeakPolarHBondContact CA-O 3.21Å; L34-V56 HydrophobicContact CD2-CB 4.28Å; L34-V56 HydrophobicContact CD2-CG1 4.34Å; L34-V56 HydrophobicContact CD2-CG2 3.84Å; L34-V134 HydrophobicContact CD1-CB 4.27Å; L34-V134 HydrophobicContact CD1-CG2 4.02Å; L34-V134 HydrophobicContact CD2-CB 3.95Å; L34-V134 HydrophobicContact CD2-CG2 3.65Å; L34-V134 HydrophobicContact CG-CG2 4.42Å; L34-A141 HydrophobicContact CD1-CB 4.11Å; L34-A141 WeakPolarHBondContact CD1-O 3.3Å; L34-A141 HydrophobicContact CG-CB 3.83Å; L34-K143 HydrophobicContact CB-CB 4.47Å; L34-K143 HydrophobicContact CB-CG 3.64Å; L34-K143 HydrophobicContact CD1-CG 4.46Å; L34-K143 WeakPolarHBondContact O-CE 3.34Å
35	D	84.8	Confident	71.4	Confident	76 Å²	76	79.5 Å²	79.5	41%	0.406	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.4	164.9	-163.5	33.4	0	0	0	112.2	F55	D35-F55 PolarHBondContact N-O 2.83Å; D35-F55 PolarHBondContact O-N 2.9Å
36	I	84.6	Confident	73.7	Confident	20 Å²	20	74.3 Å²	74.3	10%	0.103	41%	0.414	C	S	.	.			trans	-133.1	108.4	170.3	-61.5	-166.1	0	0	0	105.1	H38 P53 C54 C132 K143 V145	I36-H38 HydrophobicContact CG2-CB 4.38Å; I36-H38 PolarHBondContact O-N 3.15Å; I36-P53 WeakPolarHBondContact CG1-O 3.25Å; I36-P53 WeakPolarHBondContact CG2-O 3.34Å; I36-C54 HydrophobicContact CG1-CB 4.49Å; I36-C132 HydrophobicContact CD1-CB 4.48Å; I36-K143 HydrophobicContact CD1-CB 3.5Å; I36-K143 VanDerWaalsContact CD1-CB 3.5Å; I36-K143 HydrophobicContact CD1-CG 4.46Å; I36-K143 HydrophobicContact CG1-CB 3.8Å; I36-K143 HydrophobicContact CG1-CG 4.24Å; I36-V145 HydrophobicContact CD1-CG1 4.38Å; I36-V145 HydrophobicContact CG2-CB 4.4Å
37	P	79.9	Confident	75.5	Confident	85 Å²	85	69.9 Å²	69.9	55%	0.552	39%	0.386	S	S	*	.			trans	-71	7.9	-170.8	27.6	-36.1	0	0	0	114.9	P53 F55	P37-P53 HydrophobicContact CG-CB 4.18Å; P37-P53 HydrophobicContact CG-CG 4.03Å; P37-F55 HydrophobicContact CG-CE2 4.28Å
38	H	72.8	Confident	77.9	Confident	72 Å²	72	64.8 Å²	64.8	33%	0.333	36%	0.361	S	S	.	.			trans	-106	116.4	-176.7	-154.1	-83.9	0	0	0	111.8	I36 G40 P41	I36-H38 HydrophobicContact CG2-CB 4.38Å; I36-H38 PolarHBondContact O-N 3.15Å; H38-G40 PolarHBondContact CE1-O 3.22Å; H38-G40 PolarHBondContact ND1-O 3.12Å; H38-G40 PolarHBondContact O-N 3.02Å; H38-P41 PolarHBondContact CE1-O 2.75Å
39	S	66.8	Low	79.8	Confident	135 Å²	135	60.1 Å²	60.1	94%	0.944	34%	0.34	S	S	*	.			trans	-92.4	22	-170.8	55.4	0	0	0	0	115.4
40	G	80.9	Confident	81.6	Confident	31 Å²	31	55 Å²	55	32%	0.32	31%	0.308	S	S	.	.	S	Bend	trans	-176.3	-172.7	-177.2	0	0	0	0	0	112.7	H38	H38-G40 PolarHBondContact CE1-O 3.22Å; H38-G40 PolarHBondContact ND1-O 3.12Å; H38-G40 PolarHBondContact O-N 3.02Å
41	P	87.4	Confident	83.2	Confident	56 Å²	56	53.6 Å²	53.6	36%	0.364	31%	0.314	S	S	.	.			trans	-66	139	179.1	26.7	-34.1	0	0	0	112.1	H38 Q146	H38-P41 PolarHBondContact CE1-O 2.75Å; P41-Q146 CarbonylContact C-O 3.51Å; P41-Q146 VanDerWaalsContact CA-O 3.31Å; P41-Q146 WeakPolarHBondContact CA-O 3.46Å; P41-Q146 HydrophobicContact CB-CB 4.12Å; P41-Q146 HydrophobicContact CB-CG 4.28Å
42	I	90.3	Very high	84.3	Confident	25 Å²	25	46.8 Å²	46.8	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.9	169.8	-45	177.8	0	0	0	108.1	V44 I50 V145 Q146 K148	I42-V44 HydrophobicContact CG2-CG2 4.05Å; I42-I50 HydrophobicContact CB-CD1 4.3Å; I42-I50 HydrophobicContact CD1-CD1 4.01Å; I42-I50 HydrophobicContact CG2-CD1 3.74Å; I42-V145 HydrophobicContact CD1-CG2 3.89Å; I42-V145 HydrophobicContact CG1-CG2 4Å; I42-Q146 PolarHBondContact N-O 3.4Å; I42-K148 PolarHBondContact O-N 2.91Å
43	H	89.9	Confident	84.8	Confident	95 Å²	95	47.6 Å²	47.6	44%	0.44	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.7	174.5	-65.1	-31.4	0	0	0	108.8	K148 K150	H43-K148 WeakPolarHBondContact CA-O 3.41Å; H43-K150 HydrophobicContact CB-CG 4.24Å
44	V	89.4	Confident	85.1	Confident	13 Å²	13	41.5 Å²	41.5	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.5	-171.1	-151.8	0	0	0	0	109.7	I42 I50 L122 V147 K148 V149 K150	I42-V44 HydrophobicContact CG2-CG2 4.05Å; V44-I50 HydrophobicContact CG1-CB 4.4Å; V44-I50 HydrophobicContact CG2-CB 4.45Å; V44-I50 HydrophobicContact CG2-CD1 3.73Å; V44-L122 HydrophobicContact CB-CD1 3.75Å; V44-L122 HydrophobicContact CG1-CD1 3.39Å; V44-L122 HydrophobicContact CG2-CD1 4.24Å; V44-V147 HydrophobicContact CG2-CG1 4.13Å; V44-K148 PolarHBondContact N-O 3.02Å; V44-V149 CarbonylContact O-C 3.54Å; V44-V149 WeakPolarHBondContact O-CA 3.29Å; V44-K150 PolarHBondContact O-N 3.46Å
45	P	89.5	Confident	85.2	Confident	42 Å²	42	45.3 Å²	45.3	27%	0.273	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	148.7	175.3	-24.8	35.6	0	0	0	114	S48 K150 E248	P45-S48 PolarHBondContact O-OG 3.29Å; P45-K150 CarbonylContact C-O 3.59Å; P45-E248 HydrophobicContact CG-CG 4.49Å
46	L	92	Very high	85.3	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	140.6	166.9	-170.6	77.4	0	0	0	110.1	S48 L122 H124 V149 K150 V153 Q186 A189 A190 Y246	L46-S48 VanDerWaalsContact C-N 3.29Å; L46-S48 PolarHBondContact O-N 3.39Å; L46-L122 WeakPolarHBondContact CD1-O 3.39Å; L46-H124 HydrophobicContact CD1-CB 4.42Å; L46-V149 HydrophobicContact CB-CG1 4.31Å; L46-V149 HydrophobicContact CD1-CG1 4.07Å; L46-K150 PolarHBondContact N-O 3.28Å; L46-V153 HydrophobicContact CD2-CG2 4.25Å; L46-Q186 WeakPolarHBondContact O-CG 3.45Å; L46-A189 HydrophobicContact CD1-CB 4.21Å; L46-A189 HydrophobicContact CG-CB 4.02Å; L46-A190 HydrophobicContact CD2-CB 4.28Å; L46-Y246 HydrophobicContact CB-CE2 4.07Å
47	G	82.5	Confident	85.2	Confident	16 Å²	16	43.5 Å²	43.5	17%	0.165	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	25.5	178.9	0	0	0	0	0	114.2	L122	G47-L122 PolarHBondContact N-O 2.92Å
48	S	83.3	Confident	84.7	Confident	37 Å²	37	43.5 Å²	43.5	26%	0.259	27%	0.267	S	S	.	.			trans	-123.5	-178.6	174.1	70.5	0	0	0	0	111.2	P45 L46 L122	P45-S48 PolarHBondContact O-OG 3.29Å; L46-S48 VanDerWaalsContact C-N 3.29Å; L46-S48 PolarHBondContact O-N 3.39Å; S48-L122 VanDerWaalsContact O-CB 3.23Å; S48-L122 WeakPolarHBondContact O-CB 3.41Å; S48-L122 WeakPolarHBondContact O-CD1 3.4Å; S48-L122 WeakPolarHBondContact O-CG 3.35Å; S48-L122 PolarHBondContact O-N 3.3Å
49	S	82.9	Confident	84	Confident	45 Å²	45	42.7 Å²	42.7	32%	0.315	27%	0.27	S	S	.	.			trans	-112.2	161.7	179.6	65.1	0	0	0	0	113.1	L119	S49-L119 CarbonylContact C-O 3.58Å; S49-L119 VanDerWaalsContact CA-O 3.26Å; S49-L119 WeakPolarHBondContact CA-O 3.47Å
50	I	87.7	Confident	83.1	Confident	16 Å²	16	42.1 Å²	42.1	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.9	173.9	-177.5	168.3	0	0	0	110.9	I42 V44 I52 W118 L119 L122 V147	I42-I50 HydrophobicContact CB-CD1 4.3Å; I42-I50 HydrophobicContact CD1-CD1 4.01Å; I42-I50 HydrophobicContact CG2-CD1 3.74Å; V44-I50 HydrophobicContact CG1-CB 4.4Å; V44-I50 HydrophobicContact CG2-CB 4.45Å; V44-I50 HydrophobicContact CG2-CD1 3.73Å; I50-I52 HydrophobicContact CD1-CG1 3.86Å; I50-I52 HydrophobicContact CG1-CG1 3.93Å; I50-I52 HydrophobicContact CG2-CG1 4.16Å; I50-W118 CarbonylContact O-C 3.53Å; I50-W118 VanDerWaalsContact O-CA 3.32Å; I50-W118 WeakPolarHBondContact O-CA 3.5Å; I50-L119 HydrophobicContact CG2-CB 4.01Å; I50-L119 PolarHBondContact N-O 3.44Å; I50-L119 PolarHBondContact O-N 3.27Å; I50-L122 HydrophobicContact CB-CD1 4.06Å; I50-L122 HydrophobicContact CG2-CD1 3.82Å; I50-L122 HydrophobicContact CG2-CD2 4.04Å; I50-L122 HydrophobicContact CG2-CG 4.37Å; I50-V147 HydrophobicContact CD1-CG1 4.5Å; I50-V147 HydrophobicContact CD1-CG2 4.48Å
51	S	87.3	Confident	81.3	Confident	69 Å²	69	42.6 Å²	42.6	48%	0.483	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.6	156.3	-176.7	0	0	0	0	109.5	P53 L117	S51-P53 WeakPolarHBondContact O-CD 3.48Å; S51-L117 CarbonylContact C-O 3.51Å; S51-L117 WeakPolarHBondContact CA-O 3.26Å
52	I	90.1	Very high	79	Confident	0 Å²	0	45 Å²	45	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.6	178.7	-52.3	-180	0	0	0	107.8	I50 C54 W74 S116 L117 Y130 V145 V147	I50-I52 HydrophobicContact CD1-CG1 3.86Å; I50-I52 HydrophobicContact CG1-CG1 3.93Å; I50-I52 HydrophobicContact CG2-CG1 4.16Å; I52-C54 PolarHBondContact O-N 3.13Å; I52-W74 HydrophobicContact CB-CH2 4.05Å; I52-W74 HydrophobicContact CB-CZ3 4.5Å; I52-W74 HydrophobicContact CG2-CH2 3.65Å; I52-W74 HydrophobicContact CG2-CZ3 4Å; I52-S116 VanDerWaalsContact O-CA 3.3Å; I52-S116 WeakPolarHBondContact O-CA 3.5Å; I52-S116 WeakPolarHBondContact O-CB 3.43Å; I52-L117 HydrophobicContact CB-CB 4.45Å; I52-L117 HydrophobicContact CD1-CD2 4.38Å; I52-L117 PolarHBondContact N-O 3.31Å; I52-L117 PolarHBondContact O-N 2.68Å; I52-L117 VanDerWaalsContact O-N 3.07Å; I52-Y130 HydrophobicContact CD1-CD1 3.46Å; I52-Y130 VanDerWaalsContact CD1-CD1 3.46Å; I52-Y130 HydrophobicContact CD1-CD2 4.35Å; I52-Y130 HydrophobicContact CD1-CE1 3.86Å; I52-Y130 HydrophobicContact CD1-CG 3.74Å; I52-V145 HydrophobicContact CG2-CG1 3.48Å; I52-V145 VanDerWaalsContact CG2-CG1 3.48Å; I52-V147 HydrophobicContact CD1-CG2 3.85Å
53	P	88.5	Confident	77.2	Confident	28 Å²	28	48.8 Å²	48.8	18%	0.182	31%	0.311	C	S	.	.			trans	-68.7	132.2	-172	26.5	-34.3	0	0	0	111.8	I36 P37 S51 F55 S116	I36-P53 WeakPolarHBondContact CG1-O 3.25Å; I36-P53 WeakPolarHBondContact CG2-O 3.34Å; P37-P53 HydrophobicContact CG-CB 4.18Å; P37-P53 HydrophobicContact CG-CG 4.03Å; S51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-F55 HydrophobicContact CB-CE2 3.78Å; P53-F55 HydrophobicContact CB-CZ 4.2Å; P53-S116 WeakPolarHBondContact CA-OG 3.49Å
54	C	89.7	Confident	75.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	33%	0.332	C	S	.	.			trans	-144.6	113.5	167.8	-173.4	0	0	0	0	109.5	I36 I52 W74 V115 S116 C132	I36-C54 HydrophobicContact CG1-CB 4.49Å; I52-C54 PolarHBondContact O-N 3.13Å; C54-W74 HydrophobicContact CB-CH2 4Å; C54-W74 HydrophobicContact CB-CZ2 3.53Å; C54-V115 HydrophobicContact CB-CG2 3.93Å; C54-V115 VanDerWaalsContact O-CG2 3.26Å; C54-V115 WeakPolarHBondContact O-CG2 3.18Å; C54-V115 PolarHBondContact O-N 3.15Å; C54-S116 PolarHBondContact N-OG 3.4Å; C54-C132 HydrophobicContact CB-CB 3.8Å; C54-C132 WeakPolarHBondContact CB-SG 3.31Å; C54-C132 WeakPolarHBondContact SG-CB 3.48Å; C54-C132 CovalentContact SG-SG 2.04Å; C54-C132 PolarHBondContact SG-SG 3.42Å
55	F	89.6	Confident	73.3	Confident	84 Å²	84	53.3 Å²	53.3	37%	0.368	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135	-176.7	-59	-68.2	0	0	0	111.1	L34 D35 P37 P53 E113 D114	L34-F55 WeakPolarHBondContact CA-O 3.21Å; D35-F55 PolarHBondContact N-O 2.83Å; D35-F55 PolarHBondContact O-N 2.9Å; P37-F55 HydrophobicContact CG-CE2 4.28Å; P53-F55 HydrophobicContact CB-CE2 3.78Å; P53-F55 HydrophobicContact CB-CZ 4.2Å; F55-E113 CarbonylContact C-O 3.48Å; F55-E113 WeakPolarHBondContact CA-O 3.08Å; F55-D114 HydrophobicContact CD1-CB 4.24Å; F55-D114 HydrophobicContact CE1-CB 4.21Å
56	V	87.3	Confident	71.3	Confident	11 Å²	11	56.8 Å²	56.8	7%	0.067	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.9	178.4	-166.4	0	0	0	0	109.2	L32 L34 E113 V115 V134	L32-V56 HydrophobicContact CD1-CG1 3.46Å; L32-V56 VanDerWaalsContact CD1-CG1 3.46Å; L34-V56 HydrophobicContact CD2-CB 4.28Å; L34-V56 HydrophobicContact CD2-CG1 4.34Å; L34-V56 HydrophobicContact CD2-CG2 3.84Å; V56-E113 PolarHBondContact N-O 2.85Å; V56-V115 HydrophobicContact CG2-CB 4.43Å; V56-V115 HydrophobicContact CG2-CG1 3.74Å; V56-V115 HydrophobicContact CG2-CG2 3.76Å; V56-V134 HydrophobicContact CG1-CG1 4.39Å; V56-V134 HydrophobicContact CG2-CG1 4.24Å; V56-V134 HydrophobicContact CG2-CG2 4.22Å
57	S	82.6	Confident	69.6	Low	47 Å²	47	61.9 Å²	61.9	33%	0.329	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.1	175.5	59.6	0	0	0	0	110.9	K33	K33-S57 WeakPolarHBondContact CB-OG 3.39Å; K33-S57 PolarHBondContact N-O 2.88Å; K33-S57 PolarHBondContact O-N 3.44Å; K33-S57 PolarHBondContact O-OG 3.4Å
58	L	68.3	Low	68.7	Low	85 Å²	85	65 Å²	65	45%	0.445	43%	0.428	S	S	.	.			trans	-115.6	133.7	-179.8	-79.5	164.4	0	0	0	110.5	L32 S60	L32-L58 HydrophobicContact CD1-CD2 4.11Å; L58-S60 PolarHBondContact O-N 2.79Å
59	S	57.5	Low	67.9	Low	56 Å²	56	67.1 Å²	67.1	39%	0.392	44%	0.436	S	S	.	.			trans	-78.6	112.7	171.5	22.4	0	0	0	0	109.4	Q31	Q31-S59 PolarHBondContact N-OG 3.37Å; Q31-S59 PolarHBondContact O-OG 2.95Å
60	S	48.7	Very low	67.6	Low	123 Å²	123	65.3 Å²	65.3	86%	0.86	42%	0.423	S	S	*	.			trans	-94.4	106.7	-166.9	46.3	0	0	0	0	113.6	L58	L58-S60 PolarHBondContact O-N 2.79Å
61	S	42.2	Very low	67.6	Low	41 Å²	41	69.6 Å²	69.6	29%	0.287	44%	0.438	S	S	.	.			trans	-137.4	131.9	165.5	71	0	0	0	0	111.9	R30	R30-S61 PolarHBondContact NE-O 2.96Å; R30-S61 PolarHBondContact NH2-O 2.76Å
62	S	39.5	Very low	67.7	Low	106 Å²	106	66.3 Å²	66.3	74%	0.741	42%	0.415	S	S	*	.			trans	60.7	151.7	178.2	68.6	0	0	0	0	118.6	R30	R30-S62 PolarHBondContact NH2-O 2.84Å
63	S	52.8	Low	67.8	Low	105 Å²	105	68.3 Å²	68.3	73%	0.734	42%	0.424	S	S	*	.			trans	-96.8	-177.1	-170.2	51.3	0	0	0	0	114
64	S	48.6	Very low	68.1	Low	126 Å²	126	67 Å²	67	88%	0.881	42%	0.415	S	S	*	.			trans	69	48.6	167	76.2	0	0	0	0	119.1
65	S	48.1	Very low	68.3	Low	77 Å²	77	67 Å²	67	54%	0.538	42%	0.415	S	S	.	.	S	Bend	trans	-128.5	144.8	154.4	57.7	0	0	0	0	109.7
66	P	49.2	Very low	68.6	Low	115 Å²	115	63.3 Å²	63.3	75%	0.747	40%	0.399	S	S	*	.			trans	-60.2	148.3	174.4	26.9	-34.6	0	0	0	110.7	V68	P66-V68 PolarHBondContact O-N 3.03Å
67	S	56	Low	68.9	Low	112 Å²	112	64.5 Å²	64.5	78%	0.783	41%	0.407	S	S	*	.			trans	-67.9	93.6	-179.2	35.1	0	0	0	0	111.1	I69	S67-I69 PolarHBondContact O-N 3.3Å
68	V	62.7	Low	69.2	Low	82 Å²	82	64.9 Å²	64.9	50%	0.497	41%	0.409	S	S	.	.			trans	-62.6	102.4	172.2	-179.9	0	0	0	0	108.1	P66 Q136	P66-V68 PolarHBondContact O-N 3.03Å; V68-Q136 HydrophobicContact CB-CG 4.33Å; V68-Q136 HydrophobicContact CG1-CG 4.17Å; V68-Q136 WeakPolarHBondContact O-CG 3.22Å; V68-Q136 PolarHBondContact O-NE2 3.07Å
69	I	66.4	Low	69.8	Low	82 Å²	82	64.9 Å²	64.9	42%	0.421	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-64.8	126.7	-179	-52.9	174	0	0	0	108.5	S67	S67-I69 PolarHBondContact O-N 3.3Å
70	P	77.1	Confident	71.1	Confident	7 Å²	7	65.6 Å²	65.6	5%	0.045	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-60.8	145.3	179.8	23.1	-32.8	0	0	0	112	V134 Q136	P70-V134 HydrophobicContact CB-CG1 3.6Å; P70-Q136 HydrophobicContact CB-CB 4.46Å
71	R	86.9	Confident	72.9	Confident	106 Å²	106	65.4 Å²	65.4	40%	0.4	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.4	165.8	173.7	-167.9	176.1	-151.8	2.2	108	V87 A88 V134 Q135	R71-V87 HydrophobicContact CG-CG1 4.47Å; R71-A88 WeakPolarHBondContact CA-O 3.47Å; R71-V134 WeakPolarHBondContact O-CA 3.48Å; R71-Q135 HydrophobicContact CB-CB 4.42Å; R71-Q135 PolarHBondContact N-O 2.84Å; R71-Q135 PolarHBondContact O-N 2.79Å
72	V	89.3	Confident	75.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.1	176.4	-172.9	0	0	0	0	109.2	V87 A88 Y108 V115 E133 V134	V72-V87 CarbonylContact O-C 3.6Å; V72-V87 VanDerWaalsContact O-CA 3.27Å; V72-V87 WeakPolarHBondContact O-CA 3.45Å; V72-A88 HydrophobicContact CB-CB 4.26Å; V72-A88 PolarHBondContact N-O 3Å; V72-A88 PolarHBondContact O-N 2.9Å; V72-Y108 HydrophobicContact CG2-CD2 4.41Å; V72-Y108 HydrophobicContact CG2-CE2 4.01Å; V72-V115 HydrophobicContact CG1-CB 4.04Å; V72-V115 HydrophobicContact CG1-CG2 4.36Å; V72-V115 HydrophobicContact CG2-CB 3.85Å; V72-V115 HydrophobicContact CG2-CG1 3.55Å; V72-E133 CarbonylContact C-O 3.56Å; V72-E133 WeakPolarHBondContact CA-O 3.42Å; V72-V134 HydrophobicContact CG1-CG2 4.44Å; V72-V134 HydrophobicContact CG2-CG2 4.42Å
73	K	93.3	Very high	77.7	Confident	42 Å²	42	64.8 Å²	64.8	18%	0.183	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.2	168.6	169.9	167.8	167.1	-87.5	0	108.5	T75 E82 V87 E133	K73-T75 HydrophobicContact CD-CG2 4.21Å; K73-T75 HydrophobicContact CG-CG2 3.9Å; K73-E82 IonicContact NZ-OE1 3.61Å; K73-V87 HydrophobicContact CB-CG2 3.94Å; K73-V87 HydrophobicContact CD-CG2 4.23Å; K73-V87 HydrophobicContact CG-CG2 3.93Å; K73-E133 HydrophobicContact CB-CB 4.23Å; K73-E133 WeakPolarHBondContact CD-OE2 3.39Å; K73-E133 WeakPolarHBondContact CE-OE2 3.1Å; K73-E133 VanDerWaalsContact CG-OE2 3.3Å; K73-E133 WeakPolarHBondContact CG-OE2 3.49Å; K73-E133 PolarHBondContact N-O 3.46Å; K73-E133 IonicContact NZ-OE1 3.73Å; K73-E133 IonicContact NZ-OE2 2.59Å; K73-E133 PolarHBondContact NZ-OE2 3.32Å; K73-E133 PolarHBondContact O-N 2.87Å
74	W	94.8	Very high	79.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.8	169.7	-83.4	97.4	0	0	0	109.5	I52 C54 I85 L86 V115 L117 R131 C132	I52-W74 HydrophobicContact CB-CH2 4.05Å; I52-W74 HydrophobicContact CB-CZ3 4.5Å; I52-W74 HydrophobicContact CG2-CH2 3.65Å; I52-W74 HydrophobicContact CG2-CZ3 4Å; C54-W74 HydrophobicContact CB-CH2 4Å; C54-W74 HydrophobicContact CB-CZ2 3.53Å; W74-I85 HydrophobicContact CB-CB 4.36Å; W74-I85 PolarHBondContact O-N 3.19Å; W74-L86 HydrophobicContact CB-CD1 4.22Å; W74-L86 HydrophobicContact CB-CG 4.32Å; W74-L86 HydrophobicContact CG-CD1 4.47Å; W74-L86 PolarHBondContact N-O 2.88Å; W74-L86 PolarHBondContact O-N 2.9Å; W74-V115 PolarHBondContact NE1-O 2.9Å; W74-L117 HydrophobicContact CB-CD2 4.23Å; W74-L117 HydrophobicContact CD2-CB 3.76Å; W74-L117 HydrophobicContact CD2-CD2 3.92Å; W74-L117 HydrophobicContact CD2-CG 4.4Å; W74-L117 VanDerWaalsContact CE2-CB 3.5Å; W74-L117 HydrophobicContact CE3-CB 4.24Å; W74-L117 HydrophobicContact CE3-CD2 3.94Å; W74-L117 HydrophobicContact CG-CB 4.15Å; W74-L117 HydrophobicContact CG-CD2 4.08Å; W74-L117 HydrophobicContact CH2-CB 4.19Å; W74-L117 HydrophobicContact CZ2-CB 3.72Å; W74-L117 HydrophobicContact CZ3-CB 4.44Å; W74-R131 WeakPolarHBondContact CA-O 3.38Å; W74-C132 HydrophobicContact CD2-CB 4.22Å; W74-C132 HydrophobicContact CE3-CB 4.14Å; W74-C132 HydrophobicContact CH2-CB 3.65Å; W74-C132 HydrophobicContact CZ2-CB 3.7Å; W74-C132 HydrophobicContact CZ3-CB 3.86Å
75	T	94.6	Very high	81.7	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	158.3	171.5	71.6	0	0	0	0	111.1	K73 E82 T83 Q84 Y130 R131	K73-T75 HydrophobicContact CD-CG2 4.21Å; K73-T75 HydrophobicContact CG-CG2 3.9Å; T75-E82 VanDerWaalsContact CB-OE1 3.28Å; T75-E82 WeakPolarHBondContact CB-OE1 3.29Å; T75-E82 HydrophobicContact CG2-CG 4.31Å; T75-E82 VanDerWaalsContact CG2-OE1 3.28Å; T75-E82 WeakPolarHBondContact CG2-OE1 3.49Å; T75-E82 PolarHBondContact OG1-OE1 3.43Å; T75-T83 CarbonylContact C-O 3.45Å; T75-T83 VanDerWaalsContact CA-O 3.24Å; T75-T83 WeakPolarHBondContact CA-O 3.44Å; T75-T83 WeakPolarHBondContact CB-O 3.34Å; T75-Q84 HydrophobicContact CG2-CB 4.42Å; T75-Y130 CarbonylContact O-C 3.58Å; T75-Y130 WeakPolarHBondContact O-CA 3.38Å; T75-R131 PolarHBondContact N-O 2.92Å; T75-R131 PolarHBondContact O-N 3.18Å
76	V	95.1	Very high	83.7	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133	168.1	57.2	0	0	0	0	109.5	T83 I85 H129 Y130	V76-T83 PolarHBondContact N-O 2.92Å; V76-T83 PolarHBondContact O-N 3.15Å; V76-I85 HydrophobicContact CB-CD1 4.01Å; V76-I85 HydrophobicContact CB-CG1 4.46Å; V76-I85 HydrophobicContact CG1-CD1 4.01Å; V76-I85 HydrophobicContact CG1-CG1 4Å; V76-H129 WeakPolarHBondContact CA-O 3.22Å; V76-Y130 HydrophobicContact CB-CD1 4.4Å; V76-Y130 HydrophobicContact CB-CD2 4.39Å; V76-Y130 HydrophobicContact CB-CE1 4.34Å; V76-Y130 HydrophobicContact CB-CE2 4.28Å; V76-Y130 HydrophobicContact CB-CG 4.43Å; V76-Y130 HydrophobicContact CG2-CD2 3.88Å; V76-Y130 HydrophobicContact CG2-CE2 3.65Å; V76-Y130 HydrophobicContact CG2-CG 4.41Å
77	V	92.4	Very high	85.7	Confident	36 Å²	36	49.5 Å²	49.5	22%	0.218	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.4	172.3	-172.1	0	0	0	0	108.9	I81 E82 H129	V77-I81 VanDerWaalsContact CA-O 3.32Å; V77-I81 WeakPolarHBondContact CA-O 3.4Å; V77-E82 HydrophobicContact CG2-CB 4.02Å; V77-E82 HydrophobicContact CG2-CG 3.92Å; V77-H129 HydrophobicContact CB-CB 4.38Å; V77-H129 PolarHBondContact N-O 2.81Å; V77-H129 PolarHBondContact O-N 2.8Å
78	S	90.3	Very high	87.1	Confident	55 Å²	55	44.1 Å²	44.1	39%	0.385	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.7	175.2	-162.8	0	0	0	0	110.8	G80 I81 S127	S78-G80 PolarHBondContact O-N 2.98Å; S78-I81 PolarHBondContact N-O 2.92Å; S78-I81 PolarHBondContact O-N 2.82Å; S78-S127 WeakPolarHBondContact CB-O 3.42Å; S78-S127 PolarHBondContact OG-O 3.46Å
79	G	80.8	Confident	88	Confident	85 Å²	85	48.6 Å²	48.6	88%	0.876	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	5	-172.2	0	0	0	0	0	116
80	G	83.9	Confident	88.2	Confident	71 Å²	71	47.2 Å²	47.2	73%	0.732	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	2.1	-169.4	0	0	0	0	0	114.6	S78	S78-G80 PolarHBondContact O-N 2.98Å
81	I	87.3	Confident	87.7	Confident	119 Å²	119	52.2 Å²	52.2	61%	0.61	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.6	172.5	-58.2	174.8	0	0	0	108	V77 S78	V77-I81 VanDerWaalsContact CA-O 3.32Å; V77-I81 WeakPolarHBondContact CA-O 3.4Å; S78-I81 PolarHBondContact N-O 2.92Å; S78-I81 PolarHBondContact O-N 2.82Å
82	E	91.6	Very high	87	Confident	88 Å²	88	56.9 Å²	56.9	41%	0.411	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.6	170.7	-176.1	165.2	163.4	0	0	110.3	K73 T75 V77 R131	K73-E82 IonicContact NZ-OE1 3.61Å; T75-E82 VanDerWaalsContact CB-OE1 3.28Å; T75-E82 WeakPolarHBondContact CB-OE1 3.29Å; T75-E82 HydrophobicContact CG2-CG 4.31Å; T75-E82 VanDerWaalsContact CG2-OE1 3.28Å; T75-E82 WeakPolarHBondContact CG2-OE1 3.49Å; T75-E82 PolarHBondContact OG1-OE1 3.43Å; V77-E82 HydrophobicContact CG2-CB 4.02Å; V77-E82 HydrophobicContact CG2-CG 3.92Å; E82-R131 IonicContact OE1-NE 3.71Å; E82-R131 IonicContact OE2-NE 2.81Å; E82-R131 IonicContact OE2-NH2 3.7Å
83	T	91.7	Very high	86.6	Confident	47 Å²	47	60.1 Å²	60.1	29%	0.288	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.3	178.7	-60	0	0	0	0	109.6	T75 V76 I85 Y99	T75-T83 CarbonylContact C-O 3.45Å; T75-T83 VanDerWaalsContact CA-O 3.24Å; T75-T83 WeakPolarHBondContact CA-O 3.44Å; T75-T83 WeakPolarHBondContact CB-O 3.34Å; V76-T83 PolarHBondContact N-O 2.92Å; V76-T83 PolarHBondContact O-N 3.15Å; T83-I85 PolarHBondContact O-N 2.79Å; T83-Y99 HydrophobicContact CG2-CE2 4.04Å
84	Q	91.7	Very high	86.2	Confident	74 Å²	74	65.4 Å²	65.4	35%	0.346	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	126.8	170.1	-175.9	-174.7	-63.3	0	0	109.9	T75 V87 N96	T75-Q84 HydrophobicContact CG2-CB 4.42Å; Q84-V87 HydrophobicContact CG-CG2 4.14Å; Q84-N96 WeakPolarHBondContact O-CB 3.45Å; Q84-N96 PolarHBondContact O-ND2 3.1Å
85	I	92.1	Very high	85.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-58.8	174.4	-61.9	174.2	0	0	0	109.1	W74 V76 T83 N96 Y99 V103 L117 Y130	W74-I85 HydrophobicContact CB-CB 4.36Å; W74-I85 PolarHBondContact O-N 3.19Å; V76-I85 HydrophobicContact CB-CD1 4.01Å; V76-I85 HydrophobicContact CB-CG1 4.46Å; V76-I85 HydrophobicContact CG1-CD1 4.01Å; V76-I85 HydrophobicContact CG1-CG1 4Å; T83-I85 PolarHBondContact O-N 2.79Å; I85-N96 VanDerWaalsContact O-CB 3.3Å; I85-N96 WeakPolarHBondContact O-CB 3.04Å; I85-N96 PolarHBondContact O-N 3.04Å; I85-Y99 HydrophobicContact CB-CD2 4.46Å; I85-Y99 HydrophobicContact CG1-CD2 4.29Å; I85-Y99 HydrophobicContact CG1-CE2 4.09Å; I85-Y99 HydrophobicContact CG2-CD1 4.36Å; I85-Y99 HydrophobicContact CG2-CD2 4.31Å; I85-Y99 HydrophobicContact CG2-CG 4.04Å; I85-V103 HydrophobicContact CG2-CB 4.27Å; I85-V103 HydrophobicContact CG2-CG1 3.86Å; I85-V103 HydrophobicContact CG2-CG2 3.98Å; I85-L117 HydrophobicContact CD1-CD2 3.85Å; I85-L117 HydrophobicContact CG2-CD1 4.34Å; I85-L117 HydrophobicContact CG2-CD2 4.36Å; I85-Y130 HydrophobicContact CD1-CD1 3.63Å; I85-Y130 HydrophobicContact CD1-CE1 3.38Å
86	L	91.8	Very high	85.3	Confident	0 Å²	0	71 Å²	71	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	161.8	177.9	62.7	74.1	0	0	0	112.3	W74 V93 K94 I95 V103 L105 L117	W74-L86 HydrophobicContact CB-CD1 4.22Å; W74-L86 HydrophobicContact CB-CG 4.32Å; W74-L86 HydrophobicContact CG-CD1 4.47Å; W74-L86 PolarHBondContact N-O 2.88Å; W74-L86 PolarHBondContact O-N 2.9Å; L86-V93 HydrophobicContact CB-CG1 4.37Å; L86-V93 HydrophobicContact CD1-CG1 4.46Å; L86-V93 HydrophobicContact CD2-CG1 4.27Å; L86-K94 CarbonylContact C-O 3.56Å; L86-K94 WeakPolarHBondContact CA-O 3.36Å; L86-K94 WeakPolarHBondContact CB-O 3.4Å; L86-I95 HydrophobicContact CB-CG1 4.14Å; L86-I95 HydrophobicContact CD2-CG1 4.44Å; L86-V103 HydrophobicContact CD2-CB 4.42Å; L86-V103 HydrophobicContact CD2-CG2 4.02Å; L86-L105 HydrophobicContact CD1-CD1 3.86Å; L86-L105 HydrophobicContact CD1-CD2 4.19Å; L86-L105 HydrophobicContact CD1-CG 4.1Å; L86-L105 HydrophobicContact CD2-CD2 4.25Å; L86-L105 HydrophobicContact CD2-CG 4.03Å; L86-L117 HydrophobicContact CD2-CD1 3.7Å; L86-L117 HydrophobicContact CG-CD1 4.27Å
87	V	90.3	Very high	84.7	Confident	27 Å²	27	77 Å²	77	16%	0.164	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.6	167.9	169.8	0	0	0	0	108.9	R71 V72 K73 Q84 K94	R71-V87 HydrophobicContact CG-CG1 4.47Å; V72-V87 CarbonylContact O-C 3.6Å; V72-V87 VanDerWaalsContact O-CA 3.27Å; V72-V87 WeakPolarHBondContact O-CA 3.45Å; K73-V87 HydrophobicContact CB-CG2 3.94Å; K73-V87 HydrophobicContact CD-CG2 4.23Å; K73-V87 HydrophobicContact CG-CG2 3.93Å; Q84-V87 HydrophobicContact CG-CG2 4.14Å; V87-K94 PolarHBondContact N-O 2.82Å; V87-K94 PolarHBondContact O-N 3.18Å
88	A	85.5	Confident	84.2	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.9	174.3	0	0	0	0	0	111.3	R71 V72 R92 V93 L105 Y108	R71-A88 WeakPolarHBondContact CA-O 3.47Å; V72-A88 HydrophobicContact CB-CB 4.26Å; V72-A88 PolarHBondContact N-O 3Å; V72-A88 PolarHBondContact O-N 2.9Å; A88-R92 WeakPolarHBondContact CA-O 3.46Å; A88-V93 HydrophobicContact CB-CG1 4.4Å; A88-V93 HydrophobicContact CB-CG2 3.97Å; A88-L105 HydrophobicContact CB-CD1 3.66Å; A88-Y108 HydrophobicContact CB-CD1 4.4Å; A88-Y108 HydrophobicContact CB-CE1 3.8Å; A88-Y108 HydrophobicContact CB-CE2 4.24Å
89	R	81.6	Confident	83.8	Confident	175 Å²	175	76.7 Å²	76.7	66%	0.66	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.5	125.5	172	-177.4	-178.5	179.6	-174.1	0.2	109.1	R92	R89-R92 PolarHBondContact N-O 3.47Å; R89-R92 PolarHBondContact O-N 3.42Å; R89-R92 VanDerWaalsContact O-N 3.13Å
90	S	70.1	Confident	83.8	Confident	54 Å²	54	78.8 Å²	78.8	38%	0.378	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	-141.5	-172.2	-52.2	0	0	0	0	109.9	R92 Y108	S90-R92 PolarHBondContact O-N 3.42Å; S90-Y108 PolarHBondContact N-OH 2.95Å; S90-Y108 WeakPolarHBondContact O-CE1 3.27Å; S90-Y108 PolarHBondContact O-OH 3.04Å
91	S	66.6	Low	83.4	Confident	111 Å²	111	82.2 Å²	82.2	78%	0.776	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	11.5	177.8	53.3	0	0	0	0	115.6
92	R	72.5	Confident	83.2	Confident	205 Å²	205	77.1 Å²	77.1	77%	0.774	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.4	-176.2	-63.4	-177.1	-178.9	178.2	0.6	111.5	A88 R89 S90	A88-R92 WeakPolarHBondContact CA-O 3.46Å; R89-R92 PolarHBondContact N-O 3.47Å; R89-R92 PolarHBondContact O-N 3.42Å; R89-R92 VanDerWaalsContact O-N 3.13Å; S90-R92 PolarHBondContact O-N 3.42Å
93	V	81.8	Confident	82.9	Confident	67 Å²	67	73.3 Å²	73.3	41%	0.406	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.3	171.4	-171.1	0	0	0	0	108.8	L86 A88 I95 Y108	L86-V93 HydrophobicContact CB-CG1 4.37Å; L86-V93 HydrophobicContact CD1-CG1 4.46Å; L86-V93 HydrophobicContact CD2-CG1 4.27Å; A88-V93 HydrophobicContact CB-CG1 4.4Å; A88-V93 HydrophobicContact CB-CG2 3.97Å; V93-I95 HydrophobicContact CG1-CG1 4.17Å; V93-Y108 HydrophobicContact CG2-CD1 4.42Å; V93-Y108 HydrophobicContact CG2-CE1 4.41Å
94	K	83.3	Confident	82.4	Confident	153 Å²	153	72.5 Å²	72.5	67%	0.665	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.8	172.3	-178.4	178.6	179.4	178.5	0	109.2	L86 V87	L86-K94 CarbonylContact C-O 3.56Å; L86-K94 WeakPolarHBondContact CA-O 3.36Å; L86-K94 WeakPolarHBondContact CB-O 3.4Å; V87-K94 PolarHBondContact N-O 2.82Å; V87-K94 PolarHBondContact O-N 3.18Å
95	I	84.8	Confident	81.8	Confident	64 Å²	64	69.9 Å²	69.9	33%	0.328	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	146.2	176.5	-62.3	167.4	0	0	0	109.5	L86 V93 V103	L86-I95 HydrophobicContact CB-CG1 4.14Å; L86-I95 HydrophobicContact CD2-CG1 4.44Å; V93-I95 HydrophobicContact CG1-CG1 4.17Å; I95-V103 HydrophobicContact CB-CG2 4.38Å; I95-V103 HydrophobicContact CD1-CG2 4.11Å; I95-V103 WeakPolarHBondContact CD1-O 3.16Å; I95-V103 HydrophobicContact CG1-CG2 4Å; I95-V103 HydrophobicContact CG2-CG2 3.52Å
96	N	85.9	Confident	80.8	Confident	54 Å²	54	74.2 Å²	74.2	29%	0.289	37%	0.373	S	S	.	.			trans	-76.8	138.3	170.5	178.4	-9.5	0	0	0	110	Q84 I85 A98 Y99 R100	Q84-N96 WeakPolarHBondContact O-CB 3.45Å; Q84-N96 PolarHBondContact O-ND2 3.1Å; I85-N96 VanDerWaalsContact O-CB 3.3Å; I85-N96 WeakPolarHBondContact O-CB 3.04Å; I85-N96 PolarHBondContact O-N 3.04Å; N96-A98 PolarHBondContact O-N 2.87Å; N96-A98 VanDerWaalsContact O-N 3.13Å; N96-A98 PolarHBondContact OD1-N 3.05Å; N96-Y99 HydrophobicContact CB-CD2 4.29Å; N96-Y99 CarbonylContact O-C 3.56Å; N96-Y99 WeakPolarHBondContact O-CA 3.33Å; N96-Y99 PolarHBondContact O-N 2.82Å; N96-R100 PolarHBondContact O-N 2.86Å; N96-R100 VanDerWaalsContact O-N 3.09Å
97	E	83.4	Confident	79.7	Confident	131 Å²	131	78.1 Å²	78.1	61%	0.612	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-52.8	-34.3	-178.3	-175	148.3	-118.8	0	0	114.3	Y99 R100	E97-Y99 PolarHBondContact O-N 2.84Å; E97-R100 PolarHBondContact O-N 2.77Å; E97-R100 IonicContact OE1-CZ 3.06Å; E97-R100 IonicContact OE1-NH1 2.73Å; E97-R100 PolarHBondContact OE1-NH1 2.59Å; E97-R100 IonicContact OE1-NH2 2.69Å; E97-R100 PolarHBondContact OE1-NH2 2.95Å
98	A	81.1	Confident	78.7	Confident	64 Å²	64	77.5 Å²	77.5	53%	0.529	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-67	-12.9	175	0	0	0	0	0	114.7	N96	N96-A98 PolarHBondContact O-N 2.87Å; N96-A98 VanDerWaalsContact O-N 3.13Å; N96-A98 PolarHBondContact OD1-N 3.05Å
99	Y	83.3	Confident	77.7	Confident	21 Å²	21	83.1 Å²	83.1	8%	0.082	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-122.8	7.5	179.2	-64.9	-80.5	0	0	0	112.3	T83 I85 N96 E97 D101 R102 V103 L119 D126	T83-Y99 HydrophobicContact CG2-CE2 4.04Å; I85-Y99 HydrophobicContact CB-CD2 4.46Å; I85-Y99 HydrophobicContact CG1-CD2 4.29Å; I85-Y99 HydrophobicContact CG1-CE2 4.09Å; I85-Y99 HydrophobicContact CG2-CD1 4.36Å; I85-Y99 HydrophobicContact CG2-CD2 4.31Å; I85-Y99 HydrophobicContact CG2-CG 4.04Å; N96-Y99 HydrophobicContact CB-CD2 4.29Å; N96-Y99 CarbonylContact O-C 3.56Å; N96-Y99 WeakPolarHBondContact O-CA 3.33Å; N96-Y99 PolarHBondContact O-N 2.82Å; E97-Y99 PolarHBondContact O-N 2.84Å; Y99-D101 PolarHBondContact O-N 2.89Å; Y99-R102 PolarHBondContact O-N 2.04Å; Y99-V103 HydrophobicContact CD1-CG1 4.14Å; Y99-V103 HydrophobicContact CG-CG1 4.45Å; Y99-V103 WeakPolarHBondContact O-CG2 3.29Å; Y99-V103 PolarHBondContact O-N 2.88Å; Y99-L119 HydrophobicContact CD1-CD1 4.25Å; Y99-D126 WeakPolarHBondContact CE1-OD1 3.36Å
100	R	79.1	Confident	77.1	Confident	129 Å²	129	80 Å²	80	49%	0.487	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	140.6	176.5	-162.1	-168	-82.3	124	5.6	109.3	N96 E97 R102	N96-R100 PolarHBondContact O-N 2.86Å; N96-R100 VanDerWaalsContact O-N 3.09Å; E97-R100 PolarHBondContact O-N 2.77Å; E97-R100 IonicContact OE1-CZ 3.06Å; E97-R100 IonicContact OE1-NH1 2.73Å; E97-R100 PolarHBondContact OE1-NH1 2.59Å; E97-R100 IonicContact OE1-NH2 2.69Å; E97-R100 PolarHBondContact OE1-NH2 2.95Å; R100-R102 PolarHBondContact O-N 2.88Å
101	D	76.3	Confident	77.3	Confident	144 Å²	144	79.3 Å²	79.3	77%	0.77	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-3.4	178.4	-41.3	-47.7	0	0	0	114.9	Y99	Y99-D101 PolarHBondContact O-N 2.89Å
102	R	82.9	Confident	77.4	Confident	11 Å²	11	77.4 Å²	77.4	4%	0.042	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-6.6	176.4	-61.3	-155.8	-58.9	135.4	0.1	115.5	Y99 R100 W118 L119 G120 D121 D126	Y99-R102 PolarHBondContact O-N 2.04Å; R100-R102 PolarHBondContact O-N 2.88Å; R102-W118 WeakPolarHBondContact O-CZ3 3.3Å; R102-L119 HydrophobicContact CB-CD1 4.32Å; R102-L119 CarbonylContact O-C 3.59Å; R102-L119 VanDerWaalsContact O-CA 3.29Å; R102-L119 WeakPolarHBondContact O-CA 3.15Å; R102-G120 PolarHBondContact NH1-O 2.69Å; R102-G120 PolarHBondContact O-N 3.34Å; R102-D121 WeakPolarHBondContact CD-OD2 3.27Å; R102-D121 PolarHBondContact NH1-O 2.92Å; R102-D126 IonicContact CZ-OD1 3.04Å; R102-D126 IonicContact CZ-OD2 2.81Å; R102-D126 IonicContact NH1-OD1 3.46Å; R102-D126 IonicContact NH1-OD2 3.35Å; R102-D126 PolarHBondContact NH1-OD2 2.84Å; R102-D126 IonicContact NH2-OD1 2.7Å; R102-D126 PolarHBondContact NH2-OD1 2.65Å; R102-D126 IonicContact NH2-OD2 2.63Å; R102-D126 PolarHBondContact NH2-OD2 2.89Å
103	V	85.8	Confident	77.7	Confident	8 Å²	8	73.7 Å²	73.7	5%	0.048	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.8	-177.9	-61.6	0	0	0	0	113.9	I85 L86 I95 Y99 L117 W118 L119	I85-V103 HydrophobicContact CG2-CB 4.27Å; I85-V103 HydrophobicContact CG2-CG1 3.86Å; I85-V103 HydrophobicContact CG2-CG2 3.98Å; L86-V103 HydrophobicContact CD2-CB 4.42Å; L86-V103 HydrophobicContact CD2-CG2 4.02Å; I95-V103 HydrophobicContact CB-CG2 4.38Å; I95-V103 HydrophobicContact CD1-CG2 4.11Å; I95-V103 WeakPolarHBondContact CD1-O 3.16Å; I95-V103 HydrophobicContact CG1-CG2 4Å; I95-V103 HydrophobicContact CG2-CG2 3.52Å; Y99-V103 HydrophobicContact CD1-CG1 4.14Å; Y99-V103 HydrophobicContact CG-CG1 4.45Å; Y99-V103 WeakPolarHBondContact O-CG2 3.29Å; Y99-V103 PolarHBondContact O-N 2.88Å; V103-L117 HydrophobicContact CB-CD1 4.07Å; V103-L117 HydrophobicContact CG1-CD1 4.36Å; V103-W118 VanDerWaalsContact CA-O 3.27Å; V103-W118 WeakPolarHBondContact CA-O 3.33Å; V103-L119 HydrophobicContact CG1-CB 4.18Å; V103-L119 HydrophobicContact CG1-CD1 3.54Å; V103-L119 HydrophobicContact CG1-CG 4.4Å
104	A	80.6	Confident	77.8	Confident	31 Å²	31	71.6 Å²	71.6	26%	0.256	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.6	-179.6	0	0	0	0	0	112	L106 W118	A104-L106 HydrophobicContact CB-CD2 3.89Å; A104-L106 HydrophobicContact CB-CG 4.43Å; A104-W118 HydrophobicContact CB-CB 4.34Å; A104-W118 HydrophobicContact CB-CE3 4.18Å; A104-W118 PolarHBondContact N-O 3.15Å; A104-W118 VanDerWaalsContact N-O 3.08Å; A104-W118 PolarHBondContact O-N 3.14Å
105	L	79.4	Confident	78	Confident	19 Å²	19	64.3 Å²	64.3	10%	0.099	36%	0.355	C	S	.	.			trans	-117	75	167.5	-64.5	-178.7	0	0	0	108.2	L86 A88 N107 Y108 S116 L117	L86-L105 HydrophobicContact CD1-CD1 3.86Å; L86-L105 HydrophobicContact CD1-CD2 4.19Å; L86-L105 HydrophobicContact CD1-CG 4.1Å; L86-L105 HydrophobicContact CD2-CD2 4.25Å; L86-L105 HydrophobicContact CD2-CG 4.03Å; A88-L105 HydrophobicContact CB-CD1 3.66Å; L105-N107 VanDerWaalsContact C-N 3.28Å; L105-N107 PolarHBondContact O-N 3.18Å; L105-N107 VanDerWaalsContact O-N 3.13Å; L105-Y108 HydrophobicContact CB-CG 4.32Å; L105-Y108 HydrophobicContact CD1-CD1 4.33Å; L105-Y108 HydrophobicContact CD1-CD2 4.47Å; L105-Y108 HydrophobicContact CD1-CG 4.11Å; L105-Y108 WeakPolarHBondContact O-CB 3.03Å; L105-Y108 PolarHBondContact O-N 3.13Å; L105-Y108 VanDerWaalsContact O-N 3.15Å; L105-S116 VanDerWaalsContact CD2-O 3.31Å; L105-S116 WeakPolarHBondContact CD2-O 3.3Å; L105-L117 HydrophobicContact CD2-CD1 4.45Å
106	L	70.6	Confident	78.2	Confident	91 Å²	91	61.8 Å²	61.8	48%	0.476	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-42.9	-164.5	-60.9	174.4	0	0	0	113.8	A104 W118	A104-L106 HydrophobicContact CB-CD2 3.89Å; A104-L106 HydrophobicContact CB-CG 4.43Å; L106-W118 HydrophobicContact CD1-CB 3.99Å; L106-W118 HydrophobicContact CD1-CG 4.02Å; L106-W118 HydrophobicContact CG-CB 4Å; L106-W118 HydrophobicContact CG-CG 4.38Å
107	N	68.8	Low	78.3	Confident	82 Å²	82	59.2 Å²	59.2	44%	0.439	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-8.7	-174.2	-68.9	-19.7	0	0	0	114.6	L105 T109 S110 S111 D114	L105-N107 VanDerWaalsContact C-N 3.28Å; L105-N107 PolarHBondContact O-N 3.18Å; L105-N107 VanDerWaalsContact O-N 3.13Å; N107-T109 VanDerWaalsContact C-N 3.3Å; N107-T109 PolarHBondContact O-N 3.38Å; N107-T109 VanDerWaalsContact O-N 3.15Å; N107-S110 CarbonylContact O-C 3.26Å; N107-S110 PolarHBondContact O-N 3.45Å; N107-S111 PolarHBondContact O-N 3.11Å; N107-D114 HydrophobicContact CB-CB 4.03Å; N107-D114 WeakPolarHBondContact CB-OD2 3.36Å; N107-D114 PolarHBondContact ND2-OD2 2.93Å
108	Y	68.6	Low	78.6	Confident	14 Å²	14	56.1 Å²	56.1	6%	0.055	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.3	-164.1	165.5	-100.9	0	0	0	115	V72 A88 S90 V93 L105 V115	V72-Y108 HydrophobicContact CG2-CD2 4.41Å; V72-Y108 HydrophobicContact CG2-CE2 4.01Å; A88-Y108 HydrophobicContact CB-CD1 4.4Å; A88-Y108 HydrophobicContact CB-CE1 3.8Å; A88-Y108 HydrophobicContact CB-CE2 4.24Å; S90-Y108 PolarHBondContact N-OH 2.95Å; S90-Y108 WeakPolarHBondContact O-CE1 3.27Å; S90-Y108 PolarHBondContact O-OH 3.04Å; V93-Y108 HydrophobicContact CG2-CD1 4.42Å; V93-Y108 HydrophobicContact CG2-CE1 4.41Å; L105-Y108 HydrophobicContact CB-CG 4.32Å; L105-Y108 HydrophobicContact CD1-CD1 4.33Å; L105-Y108 HydrophobicContact CD1-CD2 4.47Å; L105-Y108 HydrophobicContact CD1-CG 4.11Å; L105-Y108 WeakPolarHBondContact O-CB 3.03Å; L105-Y108 PolarHBondContact O-N 3.13Å; L105-Y108 VanDerWaalsContact O-N 3.15Å; Y108-V115 HydrophobicContact CD2-CG1 4.26Å
109	T	65.7	Low	78.8	Confident	117 Å²	117	53.1 Å²	53.1	72%	0.718	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-25.7	173.1	44.9	0	0	0	0	113.5	N107	N107-T109 VanDerWaalsContact C-N 3.3Å; N107-T109 PolarHBondContact O-N 3.38Å; N107-T109 VanDerWaalsContact O-N 3.15Å
110	S	68.9	Low	78.7	Confident	109 Å²	109	52.2 Å²	52.2	76%	0.762	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-29	-176.2	-59	0	0	0	0	112.8	N107	N107-S110 CarbonylContact O-C 3.26Å; N107-S110 PolarHBondContact O-N 3.45Å
111	S	73.3	Confident	78.8	Confident	41 Å²	41	49.7 Å²	49.7	29%	0.287	28%	0.28	S	S	.	.			trans	-138.8	104.7	177.5	-179.4	0	0	0	0	109.8	N107 E113 D114	N107-S111 PolarHBondContact O-N 3.11Å; S111-E113 PolarHBondContact O-N 3.01Å; S111-D114 PolarHBondContact O-N 2.55Å; S111-D114 VanDerWaalsContact O-N 3.15Å; S111-D114 PolarHBondContact OG-N 2.75Å
112	P	69.8	Low	79.4	Confident	71 Å²	71	42.9 Å²	42.9	46%	0.461	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-4.5	174.6	31.4	-35.8	0	0	0	113.1
113	E	78.5	Confident	79.8	Confident	127 Å²	127	44.3 Å²	44.3	59%	0.593	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-18.5	172.5	-61.8	-175.7	170.4	0	0	112.2	F55 V56 S111	F55-E113 CarbonylContact C-O 3.48Å; F55-E113 WeakPolarHBondContact CA-O 3.08Å; V56-E113 PolarHBondContact N-O 2.85Å; S111-E113 PolarHBondContact O-N 3.01Å
114	D	84.8	Confident	80	Confident	22 Å²	22	48 Å²	48	12%	0.118	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-105.6	106.3	175.7	-172.9	-3.5	0	0	0	110.5	F55 N107 S111 S116	F55-D114 HydrophobicContact CD1-CB 4.24Å; F55-D114 HydrophobicContact CE1-CB 4.21Å; N107-D114 HydrophobicContact CB-CB 4.03Å; N107-D114 WeakPolarHBondContact CB-OD2 3.36Å; N107-D114 PolarHBondContact ND2-OD2 2.93Å; S111-D114 PolarHBondContact O-N 2.55Å; S111-D114 VanDerWaalsContact O-N 3.15Å; S111-D114 PolarHBondContact OG-N 2.75Å; D114-S116 WeakPolarHBondContact OD1-CB 3.38Å; D114-S116 PolarHBondContact OD1-N 3.11Å; D114-S116 VanDerWaalsContact OD1-N 3.11Å; D114-S116 PolarHBondContact OD1-OG 3.35Å
115	V	87.1	Confident	80.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.			trans	-114.4	24.5	-178.1	-55.8	0	0	0	0	111.7	C54 V56 V72 W74 Y108 V134	C54-V115 HydrophobicContact CB-CG2 3.93Å; C54-V115 VanDerWaalsContact O-CG2 3.26Å; C54-V115 WeakPolarHBondContact O-CG2 3.18Å; C54-V115 PolarHBondContact O-N 3.15Å; V56-V115 HydrophobicContact CG2-CB 4.43Å; V56-V115 HydrophobicContact CG2-CG1 3.74Å; V56-V115 HydrophobicContact CG2-CG2 3.76Å; V72-V115 HydrophobicContact CG1-CB 4.04Å; V72-V115 HydrophobicContact CG1-CG2 4.36Å; V72-V115 HydrophobicContact CG2-CB 3.85Å; V72-V115 HydrophobicContact CG2-CG1 3.55Å; W74-V115 PolarHBondContact NE1-O 2.9Å; Y108-V115 HydrophobicContact CD2-CG1 4.26Å; V115-V134 HydrophobicContact CG2-CG2 3.97Å
116	S	88.2	Confident	81.1	Confident	11 Å²	11	49.1 Å²	49.1	8%	0.077	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-61.9	137.4	-177.9	-56.1	0	0	0	0	112.7	I52 P53 C54 L105 D114	I52-S116 VanDerWaalsContact O-CA 3.3Å; I52-S116 WeakPolarHBondContact O-CA 3.5Å; I52-S116 WeakPolarHBondContact O-CB 3.43Å; P53-S116 WeakPolarHBondContact CA-OG 3.49Å; C54-S116 PolarHBondContact N-OG 3.4Å; L105-S116 VanDerWaalsContact CD2-O 3.31Å; L105-S116 WeakPolarHBondContact CD2-O 3.3Å; D114-S116 WeakPolarHBondContact OD1-CB 3.38Å; D114-S116 PolarHBondContact OD1-N 3.11Å; D114-S116 VanDerWaalsContact OD1-N 3.11Å; D114-S116 PolarHBondContact OD1-OG 3.35Å
117	L	88.8	Confident	82.2	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.1	-179	175.9	67.7	0	0	0	110.7	S51 I52 W74 I85 L86 V103 L105 Y130	S51-L117 CarbonylContact C-O 3.51Å; S51-L117 WeakPolarHBondContact CA-O 3.26Å; I52-L117 HydrophobicContact CB-CB 4.45Å; I52-L117 HydrophobicContact CD1-CD2 4.38Å; I52-L117 PolarHBondContact N-O 3.31Å; I52-L117 PolarHBondContact O-N 2.68Å; I52-L117 VanDerWaalsContact O-N 3.07Å; W74-L117 HydrophobicContact CB-CD2 4.23Å; W74-L117 HydrophobicContact CD2-CB 3.76Å; W74-L117 HydrophobicContact CD2-CD2 3.92Å; W74-L117 HydrophobicContact CD2-CG 4.4Å; W74-L117 VanDerWaalsContact CE2-CB 3.5Å; W74-L117 HydrophobicContact CE3-CB 4.24Å; W74-L117 HydrophobicContact CE3-CD2 3.94Å; W74-L117 HydrophobicContact CG-CB 4.15Å; W74-L117 HydrophobicContact CG-CD2 4.08Å; W74-L117 HydrophobicContact CH2-CB 4.19Å; W74-L117 HydrophobicContact CZ2-CB 3.72Å; W74-L117 HydrophobicContact CZ3-CB 4.44Å; I85-L117 HydrophobicContact CD1-CD2 3.85Å; I85-L117 HydrophobicContact CG2-CD1 4.34Å; I85-L117 HydrophobicContact CG2-CD2 4.36Å; L86-L117 HydrophobicContact CD2-CD1 3.7Å; L86-L117 HydrophobicContact CG-CD1 4.27Å; V103-L117 HydrophobicContact CB-CD1 4.07Å; V103-L117 HydrophobicContact CG1-CD1 4.36Å; L105-L117 HydrophobicContact CD2-CD1 4.45Å; L117-Y130 HydrophobicContact CD2-CD1 3.92Å; L117-Y130 HydrophobicContact CD2-CE1 4.11Å
118	W	88.3	Confident	83.4	Confident	67 Å²	67	42.5 Å²	42.5	25%	0.254	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.5	162.7	-175.4	92.3	0	0	0	110.3	I50 R102 V103 A104 L106	I50-W118 CarbonylContact O-C 3.53Å; I50-W118 VanDerWaalsContact O-CA 3.32Å; I50-W118 WeakPolarHBondContact O-CA 3.5Å; R102-W118 WeakPolarHBondContact O-CZ3 3.3Å; V103-W118 VanDerWaalsContact CA-O 3.27Å; V103-W118 WeakPolarHBondContact CA-O 3.33Å; A104-W118 HydrophobicContact CB-CB 4.34Å; A104-W118 HydrophobicContact CB-CE3 4.18Å; A104-W118 PolarHBondContact N-O 3.15Å; A104-W118 VanDerWaalsContact N-O 3.08Å; A104-W118 PolarHBondContact O-N 3.14Å; L106-W118 HydrophobicContact CD1-CB 3.99Å; L106-W118 HydrophobicContact CD1-CG 4.02Å; L106-W118 HydrophobicContact CG-CB 4Å; L106-W118 HydrophobicContact CG-CG 4.38Å
119	L	85.3	Confident	84.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	120.1	176.9	168.9	61	0	0	0	110.3	S49 I50 Y99 R102 V103 L122 D126 Y130	S49-L119 CarbonylContact C-O 3.58Å; S49-L119 VanDerWaalsContact CA-O 3.26Å; S49-L119 WeakPolarHBondContact CA-O 3.47Å; I50-L119 HydrophobicContact CG2-CB 4.01Å; I50-L119 PolarHBondContact N-O 3.44Å; I50-L119 PolarHBondContact O-N 3.27Å; Y99-L119 HydrophobicContact CD1-CD1 4.25Å; R102-L119 HydrophobicContact CB-CD1 4.32Å; R102-L119 CarbonylContact O-C 3.59Å; R102-L119 VanDerWaalsContact O-CA 3.29Å; R102-L119 WeakPolarHBondContact O-CA 3.15Å; V103-L119 HydrophobicContact CG1-CB 4.18Å; V103-L119 HydrophobicContact CG1-CD1 3.54Å; V103-L119 HydrophobicContact CG1-CG 4.4Å; L119-L122 HydrophobicContact CD2-CD2 3.54Å; L119-L122 HydrophobicContact CG-CD2 3.69Å; L119-D126 HydrophobicContact CD2-CB 4.47Å; L119-Y130 HydrophobicContact CD2-CE1 3.91Å; L119-Y130 WeakPolarHBondContact CD2-OH 3.31Å
120	G	82.6	Confident	86	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.021	22%	0.223	C	C	.	.			trans	-97	177.3	176.2	0	0	0	0	0	114.8	R102 L122	R102-G120 PolarHBondContact NH1-O 2.69Å; R102-G120 PolarHBondContact O-N 3.34Å; G120-L122 VanDerWaalsContact C-N 3.3Å; G120-L122 PolarHBondContact O-N 3.4Å
121	D	80.8	Confident	87.2	Confident	77 Å²	77	38 Å²	38	41%	0.412	20%	0.198	S	C	.	.	S	Bend	trans	38.5	50.5	-176.9	-36.4	-35.7	0	0	0	114.3	R102 R123	R102-D121 WeakPolarHBondContact CD-OD2 3.27Å; R102-D121 PolarHBondContact NH1-O 2.92Å; D121-R123 WeakPolarHBondContact O-CG 3.37Å; D121-R123 PolarHBondContact O-N 3.2Å; D121-R123 VanDerWaalsContact O-N 3.14Å
122	L	88.1	Confident	88.2	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.			trans	-55.8	120.7	-169.7	-78.5	167.6	0	0	0	112.8	V44 L46 G47 S48 I50 L119 G120 D126 V149	V44-L122 HydrophobicContact CB-CD1 3.75Å; V44-L122 HydrophobicContact CG1-CD1 3.39Å; V44-L122 HydrophobicContact CG2-CD1 4.24Å; L46-L122 WeakPolarHBondContact CD1-O 3.39Å; G47-L122 PolarHBondContact N-O 2.92Å; S48-L122 VanDerWaalsContact O-CB 3.23Å; S48-L122 WeakPolarHBondContact O-CB 3.41Å; S48-L122 WeakPolarHBondContact O-CD1 3.4Å; S48-L122 WeakPolarHBondContact O-CG 3.35Å; S48-L122 PolarHBondContact O-N 3.3Å; I50-L122 HydrophobicContact CB-CD1 4.06Å; I50-L122 HydrophobicContact CG2-CD1 3.82Å; I50-L122 HydrophobicContact CG2-CD2 4.04Å; I50-L122 HydrophobicContact CG2-CG 4.37Å; L119-L122 HydrophobicContact CD2-CD2 3.54Å; L119-L122 HydrophobicContact CG-CD2 3.69Å; G120-L122 VanDerWaalsContact C-N 3.3Å; G120-L122 PolarHBondContact O-N 3.4Å; L122-D126 HydrophobicContact CD2-CB 4.3Å; L122-V149 HydrophobicContact CB-CG1 4.31Å; L122-V149 HydrophobicContact CB-CG2 4.08Å; L122-V149 HydrophobicContact CD2-CG2 4.05Å
123	R	91.8	Very high	89.3	Confident	42 Å²	42	35 Å²	35	16%	0.158	17%	0.174	C	C	.	.			trans	-99.4	154.7	-178.7	-50.8	178.9	-175.8	175.4	-2.1	109.5	D121 S125 D126 V149 F192	D121-R123 WeakPolarHBondContact O-CG 3.37Å; D121-R123 PolarHBondContact O-N 3.2Å; D121-R123 VanDerWaalsContact O-N 3.14Å; R123-S125 WeakPolarHBondContact CB-OG 3.43Å; R123-S125 PolarHBondContact O-N 2.99Å; R123-D126 WeakPolarHBondContact CB-OD2 3.24Å; R123-D126 PolarHBondContact N-OD2 2.8Å; R123-D126 WeakPolarHBondContact O-CB 3.4Å; R123-D126 PolarHBondContact O-N 3.01Å; R123-V149 WeakPolarHBondContact O-CG2 3.38Å; R123-F192 HydrophobicContact CG-CB 4.46Å
124	H	90.1	Very high	89.8	Confident	84 Å²	84	29.1 Å²	29.1	39%	0.389	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-56	-39.5	172.9	-170.7	86.4	0	0	0	111.1	L46 D126 S127 D193	L46-H124 HydrophobicContact CD1-CB 4.42Å; H124-D126 VanDerWaalsContact C-N 3.26Å; H124-D126 PolarHBondContact O-N 3.16Å; H124-S127 VanDerWaalsContact O-CB 3.26Å; H124-S127 WeakPolarHBondContact O-CB 3.36Å; H124-S127 PolarHBondContact O-N 2.85Å; H124-S127 VanDerWaalsContact O-N 3.1Å; H124-S127 PolarHBondContact O-OG 3.06Å; H124-D193 VanDerWaalsContact CB-OD2 3.31Å; H124-D193 WeakPolarHBondContact CB-OD2 3.28Å; H124-D193 PolarHBondContact N-OD1 3.33Å; H124-D193 PolarHBondContact N-OD2 3.1Å
125	S	90.8	Very high	90	Very high	71 Å²	71	31.8 Å²	31.8	50%	0.497	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.5	174.2	48.4	0	0	0	0	115.5	R123 S127 D193	R123-S125 WeakPolarHBondContact CB-OG 3.43Å; R123-S125 PolarHBondContact O-N 2.99Å; S125-S127 PolarHBondContact O-N 2.74Å; S125-D193 WeakPolarHBondContact CB-OD1 3.28Å; S125-D193 PolarHBondContact N-OD1 2.89Å; S125-D193 PolarHBondContact OG-OD1 3.03Å
126	D	92.2	Very high	89.7	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-74.7	-7	173.1	-64.8	-50.6	0	0	0	112.5	Y99 R102 L119 L122 R123 H124 G128 Y130 V149	Y99-D126 WeakPolarHBondContact CE1-OD1 3.36Å; R102-D126 IonicContact CZ-OD1 3.04Å; R102-D126 IonicContact CZ-OD2 2.81Å; R102-D126 IonicContact NH1-OD1 3.46Å; R102-D126 IonicContact NH1-OD2 3.35Å; R102-D126 PolarHBondContact NH1-OD2 2.84Å; R102-D126 IonicContact NH2-OD1 2.7Å; R102-D126 PolarHBondContact NH2-OD1 2.65Å; R102-D126 IonicContact NH2-OD2 2.63Å; R102-D126 PolarHBondContact NH2-OD2 2.89Å; L119-D126 HydrophobicContact CD2-CB 4.47Å; L122-D126 HydrophobicContact CD2-CB 4.3Å; R123-D126 WeakPolarHBondContact CB-OD2 3.24Å; R123-D126 PolarHBondContact N-OD2 2.8Å; R123-D126 WeakPolarHBondContact O-CB 3.4Å; R123-D126 PolarHBondContact O-N 3.01Å; H124-D126 VanDerWaalsContact C-N 3.26Å; H124-D126 PolarHBondContact O-N 3.16Å; D126-G128 PolarHBondContact O-N 2.94Å; D126-Y130 WeakPolarHBondContact O-CE2 3.49Å; D126-Y130 PolarHBondContact O-OH 3.5Å; D126-V149 HydrophobicContact CB-CG2 4.48Å
127	S	93.2	Very high	89.2	Confident	25 Å²	25	35.3 Å²	35.3	18%	0.175	19%	0.186	C	C	.	.			trans	-63.4	123.8	176.6	-61.3	0	0	0	0	112.1	S78 H124 S125 V149	S78-S127 WeakPolarHBondContact CB-O 3.42Å; S78-S127 PolarHBondContact OG-O 3.46Å; H124-S127 VanDerWaalsContact O-CB 3.26Å; H124-S127 WeakPolarHBondContact O-CB 3.36Å; H124-S127 PolarHBondContact O-N 2.85Å; H124-S127 VanDerWaalsContact O-N 3.1Å; H124-S127 PolarHBondContact O-OG 3.06Å; S125-S127 PolarHBondContact O-N 2.74Å; S127-V149 PolarHBondContact OG-N 3.39Å
128	G	94.3	Very high	88.6	Confident	8 Å²	8	43.8 Å²	43.8	8%	0.082	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-170.4	-174.9	0	0	0	0	0	114.9	D126 V147	D126-G128 PolarHBondContact O-N 2.94Å; G128-V147 PolarHBondContact N-O 3.25Å; G128-V147 PolarHBondContact O-N 3.45Å; G128-V147 VanDerWaalsContact O-O 3.11Å
129	H	94.4	Very high	88.2	Confident	83 Å²	83	43.5 Å²	43.5	38%	0.384	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	108	173	-62.8	86.2	0	0	0	109.4	V76 V77 V144 V145	V76-H129 WeakPolarHBondContact CA-O 3.22Å; V77-H129 HydrophobicContact CB-CB 4.38Å; V77-H129 PolarHBondContact N-O 2.81Å; V77-H129 PolarHBondContact O-N 2.8Å; H129-V144 HydrophobicContact CB-CG1 3.86Å; H129-V145 CarbonylContact C-O 3.47Å
130	Y	94.8	Very high	88.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.7	-179.3	-75.8	-111.3	0	0	0	109.4	I52 T75 V76 I85 L117 L119 D126 V144 V145 V147	I52-Y130 HydrophobicContact CD1-CD1 3.46Å; I52-Y130 VanDerWaalsContact CD1-CD1 3.46Å; I52-Y130 HydrophobicContact CD1-CD2 4.35Å; I52-Y130 HydrophobicContact CD1-CE1 3.86Å; I52-Y130 HydrophobicContact CD1-CG 3.74Å; T75-Y130 CarbonylContact O-C 3.58Å; T75-Y130 WeakPolarHBondContact O-CA 3.38Å; V76-Y130 HydrophobicContact CB-CD1 4.4Å; V76-Y130 HydrophobicContact CB-CD2 4.39Å; V76-Y130 HydrophobicContact CB-CE1 4.34Å; V76-Y130 HydrophobicContact CB-CE2 4.28Å; V76-Y130 HydrophobicContact CB-CG 4.43Å; V76-Y130 HydrophobicContact CG2-CD2 3.88Å; V76-Y130 HydrophobicContact CG2-CE2 3.65Å; V76-Y130 HydrophobicContact CG2-CG 4.41Å; I85-Y130 HydrophobicContact CD1-CD1 3.63Å; I85-Y130 HydrophobicContact CD1-CE1 3.38Å; L117-Y130 HydrophobicContact CD2-CD1 3.92Å; L117-Y130 HydrophobicContact CD2-CE1 4.11Å; L119-Y130 HydrophobicContact CD2-CE1 3.91Å; L119-Y130 WeakPolarHBondContact CD2-OH 3.31Å; D126-Y130 WeakPolarHBondContact O-CE2 3.49Å; D126-Y130 PolarHBondContact O-OH 3.5Å; Y130-V144 CarbonylContact O-C 3.31Å; Y130-V144 VanDerWaalsContact O-CA 3.29Å; Y130-V144 WeakPolarHBondContact O-CA 3.47Å; Y130-V145 PolarHBondContact N-O 2.91Å; Y130-V145 PolarHBondContact O-N 3.4Å; Y130-V147 HydrophobicContact CD2-CB 3.81Å; Y130-V147 HydrophobicContact CD2-CG2 3.62Å; Y130-V147 HydrophobicContact CE2-CB 3.78Å; Y130-V147 HydrophobicContact CE2-CG1 4.46Å; Y130-V147 HydrophobicContact CE2-CG2 3.98Å; Y130-V147 HydrophobicContact CG-CG2 4.21Å
131	R	94.3	Very high	88.6	Confident	62 Å²	62	50.4 Å²	50.4	23%	0.234	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.9	179.1	-172.1	-165	-58	-80.3	4.1	109.5	W74 T75 E82 E133 K143 V144	W74-R131 WeakPolarHBondContact CA-O 3.38Å; T75-R131 PolarHBondContact N-O 2.92Å; T75-R131 PolarHBondContact O-N 3.18Å; E82-R131 IonicContact OE1-NE 3.71Å; E82-R131 IonicContact OE2-NE 2.81Å; E82-R131 IonicContact OE2-NH2 3.7Å; R131-E133 WeakPolarHBondContact CD-OE1 3.47Å; R131-E133 HydrophobicContact CG-CG 3.67Å; R131-E133 IonicContact NE-OE1 3.38Å; R131-K143 CarbonylContact C-O 3.58Å; R131-K143 WeakPolarHBondContact CA-O 3.37Å; R131-V144 HydrophobicContact CB-CG2 4.1Å; R131-V144 HydrophobicContact CG-CG2 3.91Å
132	C	93.3	Very high	89.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.9	163.1	-175.9	0	0	0	0	107.7	I36 C54 W74 S142 K143	I36-C132 HydrophobicContact CD1-CB 4.48Å; C54-C132 HydrophobicContact CB-CB 3.8Å; C54-C132 WeakPolarHBondContact CB-SG 3.31Å; C54-C132 WeakPolarHBondContact SG-CB 3.48Å; C54-C132 CovalentContact SG-SG 2.04Å; C54-C132 PolarHBondContact SG-SG 3.42Å; W74-C132 HydrophobicContact CD2-CB 4.22Å; W74-C132 HydrophobicContact CE3-CB 4.14Å; W74-C132 HydrophobicContact CH2-CB 3.65Å; W74-C132 HydrophobicContact CZ2-CB 3.7Å; W74-C132 HydrophobicContact CZ3-CB 3.86Å; C132-S142 CarbonylContact O-C 3.48Å; C132-S142 WeakPolarHBondContact O-CA 3.34Å; C132-S142 WeakPolarHBondContact O-CB 3.48Å; C132-K143 PolarHBondContact N-O 3.13Å; C132-K143 PolarHBondContact O-N 3.43Å
133	E	93.1	Very high	89.3	Confident	51 Å²	51	54.2 Å²	54.2	24%	0.238	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.3	172.7	-55.8	179.3	136.9	0	0	109.2	V72 K73 R131 A141	V72-E133 CarbonylContact C-O 3.56Å; V72-E133 WeakPolarHBondContact CA-O 3.42Å; K73-E133 HydrophobicContact CB-CB 4.23Å; K73-E133 WeakPolarHBondContact CD-OE2 3.39Å; K73-E133 WeakPolarHBondContact CE-OE2 3.1Å; K73-E133 VanDerWaalsContact CG-OE2 3.3Å; K73-E133 WeakPolarHBondContact CG-OE2 3.49Å; K73-E133 PolarHBondContact N-O 3.46Å; K73-E133 IonicContact NZ-OE1 3.73Å; K73-E133 IonicContact NZ-OE2 2.59Å; K73-E133 PolarHBondContact NZ-OE2 3.32Å; K73-E133 PolarHBondContact O-N 2.87Å; R131-E133 WeakPolarHBondContact CD-OE1 3.47Å; R131-E133 HydrophobicContact CG-CG 3.67Å; R131-E133 IonicContact NE-OE1 3.38Å; E133-A141 WeakPolarHBondContact CA-O 3.11Å
134	V	90.7	Very high	89.3	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132	179.2	-177.2	0	0	0	0	109.2	L32 L34 V56 P70 R71 V72 V115 D140 A141	L32-V134 HydrophobicContact CD2-CG1 4.31Å; L32-V134 WeakPolarHBondContact CD2-O 3.35Å; L34-V134 HydrophobicContact CD1-CB 4.27Å; L34-V134 HydrophobicContact CD1-CG2 4.02Å; L34-V134 HydrophobicContact CD2-CB 3.95Å; L34-V134 HydrophobicContact CD2-CG2 3.65Å; L34-V134 HydrophobicContact CG-CG2 4.42Å; V56-V134 HydrophobicContact CG1-CG1 4.39Å; V56-V134 HydrophobicContact CG2-CG1 4.24Å; V56-V134 HydrophobicContact CG2-CG2 4.22Å; P70-V134 HydrophobicContact CB-CG1 3.6Å; R71-V134 WeakPolarHBondContact O-CA 3.48Å; V72-V134 HydrophobicContact CG1-CG2 4.44Å; V72-V134 HydrophobicContact CG2-CG2 4.42Å; V115-V134 HydrophobicContact CG2-CG2 3.97Å; V134-D140 WeakPolarHBondContact O-CA 3.2Å; V134-A141 PolarHBondContact N-O 2.93Å; V134-A141 PolarHBondContact O-N 3.19Å
135	Q	87.1	Confident	89.4	Confident	79 Å²	79	52.1 Å²	52.1	37%	0.369	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.3	-179.7	-176.3	-170.4	5.3	0	0	109.6	R71 E139	R71-Q135 HydrophobicContact CB-CB 4.42Å; R71-Q135 PolarHBondContact N-O 2.84Å; R71-Q135 PolarHBondContact O-N 2.79Å; Q135-E139 CarbonylContact C-O 3.57Å; Q135-E139 WeakPolarHBondContact CA-O 3.35Å
136	Q	82.3	Confident	89.6	Confident	38 Å²	38	52.7 Å²	52.7	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	103.4	179.3	-162.5	172.5	10.1	0	0	110	L32 V68 P70 L138 E139	L32-Q136 HydrophobicContact CD1-CB 4.42Å; L32-Q136 HydrophobicContact CD2-CB 4.2Å; V68-Q136 HydrophobicContact CB-CG 4.33Å; V68-Q136 HydrophobicContact CG1-CG 4.17Å; V68-Q136 WeakPolarHBondContact O-CG 3.22Å; V68-Q136 PolarHBondContact O-NE2 3.07Å; P70-Q136 HydrophobicContact CB-CB 4.46Å; Q136-L138 PolarHBondContact O-N 2.79Å; Q136-E139 PolarHBondContact N-O 3.13Å; Q136-E139 PolarHBondContact O-N 2.9Å; Q136-E139 VanDerWaalsContact O-N 3.12Å
137	G	77.6	Confident	89.6	Confident	47 Å²	47	52.6 Å²	52.6	49%	0.485	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-116.6	-170.6	0	0	0	0	0	111.3
138	L	75.4	Confident	89.6	Confident	177 Å²	177	54.7 Å²	54.7	93%	0.927	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-7.7	176.2	-63.3	177.1	0	0	0	113.4	Q136	Q136-L138 PolarHBondContact O-N 2.79Å
139	E	81.2	Confident	89.5	Confident	62 Å²	62	54.4 Å²	54.4	29%	0.29	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.5	178	-63.7	175.6	-127.5	0	0	110.3	Q31 L32 Q135 Q136	Q31-E139 WeakPolarHBondContact CA-OE2 3.32Å; L32-E139 HydrophobicContact CB-CB 3.96Å; L32-E139 WeakPolarHBondContact CB-OE2 3.39Å; L32-E139 HydrophobicContact CD2-CB 4.35Å; L32-E139 PolarHBondContact N-OE2 3.15Å; Q135-E139 CarbonylContact C-O 3.57Å; Q135-E139 WeakPolarHBondContact CA-O 3.35Å; Q136-E139 PolarHBondContact N-O 3.13Å; Q136-E139 PolarHBondContact O-N 2.9Å; Q136-E139 VanDerWaalsContact O-N 3.12Å
140	D	86.3	Confident	89.4	Confident	129 Å²	129	51 Å²	51	69%	0.69	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	147	172.7	75.6	-58.9	0	0	0	111.9	V134	V134-D140 WeakPolarHBondContact O-CA 3.2Å
141	A	88.6	Confident	89.4	Confident	18 Å²	18	51.4 Å²	51.4	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.9	176.7	0	0	0	0	0	110	L32 L34 E133 V134	L32-A141 HydrophobicContact CD2-CB 4.08Å; L32-A141 HydrophobicContact CG-CB 4.09Å; L34-A141 HydrophobicContact CD1-CB 4.11Å; L34-A141 WeakPolarHBondContact CD1-O 3.3Å; L34-A141 HydrophobicContact CG-CB 3.83Å; E133-A141 WeakPolarHBondContact CA-O 3.11Å; V134-A141 PolarHBondContact N-O 2.93Å; V134-A141 PolarHBondContact O-N 3.19Å
142	S	91.8	Very high	89.4	Confident	63 Å²	63	49 Å²	49	44%	0.441	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.7	172.9	68.8	0	0	0	0	113.3	C132	C132-S142 CarbonylContact O-C 3.48Å; C132-S142 WeakPolarHBondContact O-CA 3.34Å; C132-S142 WeakPolarHBondContact O-CB 3.48Å
143	K	91.4	Very high	89.6	Confident	93 Å²	93	49.3 Å²	49.3	40%	0.404	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.7	175	-76.7	-74.8	-172	164.3	0	109.5	L34 I36 R131 C132	L34-K143 HydrophobicContact CB-CB 4.47Å; L34-K143 HydrophobicContact CB-CG 3.64Å; L34-K143 HydrophobicContact CD1-CG 4.46Å; L34-K143 WeakPolarHBondContact O-CE 3.34Å; I36-K143 HydrophobicContact CD1-CB 3.5Å; I36-K143 VanDerWaalsContact CD1-CB 3.5Å; I36-K143 HydrophobicContact CD1-CG 4.46Å; I36-K143 HydrophobicContact CG1-CB 3.8Å; I36-K143 HydrophobicContact CG1-CG 4.24Å; R131-K143 CarbonylContact C-O 3.58Å; R131-K143 WeakPolarHBondContact CA-O 3.37Å; C132-K143 PolarHBondContact N-O 3.13Å; C132-K143 PolarHBondContact O-N 3.43Å
144	V	91.9	Very high	89.8	Confident	75 Å²	75	46.9 Å²	46.9	46%	0.455	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.1	-179.8	179.5	0	0	0	0	109.7	H129 Y130 R131	H129-V144 HydrophobicContact CB-CG1 3.86Å; Y130-V144 CarbonylContact O-C 3.31Å; Y130-V144 VanDerWaalsContact O-CA 3.29Å; Y130-V144 WeakPolarHBondContact O-CA 3.47Å; R131-V144 HydrophobicContact CB-CG2 4.1Å; R131-V144 HydrophobicContact CG-CG2 3.91Å
145	V	93.6	Very high	90.1	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.6	173.4	61.3	0	0	0	0	109.7	I36 I42 I52 H129 Y130	I36-V145 HydrophobicContact CD1-CG1 4.38Å; I36-V145 HydrophobicContact CG2-CB 4.4Å; I42-V145 HydrophobicContact CD1-CG2 3.89Å; I42-V145 HydrophobicContact CG1-CG2 4Å; I52-V145 HydrophobicContact CG2-CG1 3.48Å; I52-V145 VanDerWaalsContact CG2-CG1 3.48Å; H129-V145 CarbonylContact C-O 3.47Å; Y130-V145 PolarHBondContact N-O 2.91Å; Y130-V145 PolarHBondContact O-N 3.4Å
146	Q	93.3	Very high	90.5	Very high	83 Å²	83	44.6 Å²	44.6	39%	0.388	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.3	178.1	-171.9	178.7	27.9	0	0	109.9	P41 I42	P41-Q146 CarbonylContact C-O 3.51Å; P41-Q146 VanDerWaalsContact CA-O 3.31Å; P41-Q146 WeakPolarHBondContact CA-O 3.46Å; P41-Q146 HydrophobicContact CB-CB 4.12Å; P41-Q146 HydrophobicContact CB-CG 4.28Å; I42-Q146 PolarHBondContact N-O 3.4Å
147	V	93.3	Very high	90.9	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	171.2	-178.1	0	0	0	0	107.9	V44 I50 I52 G128 Y130	V44-V147 HydrophobicContact CG2-CG1 4.13Å; I50-V147 HydrophobicContact CD1-CG1 4.5Å; I50-V147 HydrophobicContact CD1-CG2 4.48Å; I52-V147 HydrophobicContact CD1-CG2 3.85Å; G128-V147 PolarHBondContact N-O 3.25Å; G128-V147 PolarHBondContact O-N 3.45Å; G128-V147 VanDerWaalsContact O-O 3.11Å; Y130-V147 HydrophobicContact CD2-CB 3.81Å; Y130-V147 HydrophobicContact CD2-CG2 3.62Å; Y130-V147 HydrophobicContact CE2-CB 3.78Å; Y130-V147 HydrophobicContact CE2-CG1 4.46Å; Y130-V147 HydrophobicContact CE2-CG2 3.98Å; Y130-V147 HydrophobicContact CG-CG2 4.21Å
148	K	92.6	Very high	91.2	Very high	69 Å²	69	42.5 Å²	42.5	30%	0.3	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	109.7	172.2	-179	178	-175.3	-175	0	108.7	I42 H43 V44 E291	I42-K148 PolarHBondContact O-N 2.91Å; H43-K148 WeakPolarHBondContact CA-O 3.41Å; V44-K148 PolarHBondContact N-O 3.02Å; K148-E291 IonicContact NZ-OE1 3.83Å; K148-E291 PolarHBondContact NZ-OE1 3.39Å
149	V	93.1	Very high	91.5	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.8	172.4	-177.8	0	0	0	0	108.7	V44 L46 L122 R123 D126 S127	V44-V149 CarbonylContact O-C 3.54Å; V44-V149 WeakPolarHBondContact O-CA 3.29Å; L46-V149 HydrophobicContact CB-CG1 4.31Å; L46-V149 HydrophobicContact CD1-CG1 4.07Å; L122-V149 HydrophobicContact CB-CG1 4.31Å; L122-V149 HydrophobicContact CB-CG2 4.08Å; L122-V149 HydrophobicContact CD2-CG2 4.05Å; R123-V149 WeakPolarHBondContact O-CG2 3.38Å; D126-V149 HydrophobicContact CB-CG2 4.48Å; S127-V149 PolarHBondContact OG-N 3.39Å
150	K	92.5	Very high	91.2	Very high	12 Å²	12	40 Å²	40	5%	0.052	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.7	-170.6	-78.6	-68.5	-161.1	152.9	0	110.6	H43 V44 P45 L46 Y246 E248 Q249 E291	H43-K150 HydrophobicContact CB-CG 4.24Å; V44-K150 PolarHBondContact O-N 3.46Å; P45-K150 CarbonylContact C-O 3.59Å; L46-K150 PolarHBondContact N-O 3.28Å; K150-Y246 PolarHBondContact O-OH 3.3Å; K150-E248 HydrophobicContact CB-CG 4.26Å; K150-Q249 VanDerWaalsContact NZ-CD 3.28Å; K150-E291 IonicContact NZ-OE1 3.84Å; K150-E291 PolarHBondContact NZ-OE1 3.31Å
151	G	93.3	Very high	90.7	Very high	8 Å²	8	34.4 Å²	34.4	8%	0.082	19%	0.191	C	C	.	.			trans	106.4	170.1	175.4	0	0	0	0	0	114.7	I247 E248	G151-I247 CarbonylContact C-O 3.56Å; G151-I247 WeakPolarHBondContact CA-O 3.27Å; G151-E248 WeakPolarHBondContact CA-O 3.32Å; G151-E248 PolarHBondContact N-O 3Å
152	V	95.9	Very high	90.5	Very high	10 Å²	10	38.7 Å²	38.7	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	130.5	-178	54.1	0	0	0	0	109.5	Y246 I247 Y286 W289	V152-Y246 WeakPolarHBondContact O-CA 3.33Å; V152-Y246 WeakPolarHBondContact O-CD2 3.17Å; V152-I247 HydrophobicContact CG1-CG2 3.62Å; V152-I247 PolarHBondContact N-O 3.33Å; V152-I247 PolarHBondContact O-N 3.47Å; V152-Y286 HydrophobicContact CG2-CD1 4.41Å; V152-W289 HydrophobicContact CG2-CE3 4.26Å; V152-W289 HydrophobicContact CG2-CZ3 3.86Å
153	V	97.6	Very high	90.3	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.1	167.4	176.6	0	0	0	0	109	L46 A182 Q186 L187 A190 Y195 Y244 C245 Y246	L46-V153 HydrophobicContact CD2-CG2 4.25Å; V153-A182 HydrophobicContact CG1-CB 4Å; V153-A182 HydrophobicContact CG2-CB 4.05Å; V153-Q186 HydrophobicContact CG2-CB 3.71Å; V153-Q186 WeakPolarHBondContact CG2-O 3.44Å; V153-L187 HydrophobicContact CG1-CD1 3.88Å; V153-A190 HydrophobicContact CB-CB 4.09Å; V153-A190 HydrophobicContact CG2-CB 4.36Å; V153-Y195 HydrophobicContact CG1-CE1 4.4Å; V153-Y244 HydrophobicContact CG1-CD1 4.19Å; V153-C245 CarbonylContact C-O 3.48Å; V153-C245 WeakPolarHBondContact CA-O 3.45Å; V153-Y246 HydrophobicContact CG2-CD2 3.9Å
154	F	97.4	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.1	175.3	61.6	-86.2	0	0	0	112.2	Y156 I177 A179 C245 I247 T282 A283 Y286	F154-Y156 HydrophobicContact CE2-CD2 4.39Å; F154-I177 HydrophobicContact CE2-CD1 3.63Å; F154-I177 HydrophobicContact CZ-CD1 3.66Å; F154-A179 HydrophobicContact CE1-CB 4.45Å; F154-A179 HydrophobicContact CZ-CB 4.13Å; F154-C245 WeakPolarHBondContact CD1-O 3.5Å; F154-C245 HydrophobicContact CD2-CB 4.33Å; F154-C245 HydrophobicContact CE1-CB 4Å; F154-C245 HydrophobicContact CE2-CB 3.74Å; F154-C245 HydrophobicContact CZ-CB 3.55Å; F154-C245 PolarHBondContact N-O 3.31Å; F154-C245 PolarHBondContact O-N 3.03Å; F154-I247 HydrophobicContact CE1-CG2 4Å; F154-T282 HydrophobicContact CD2-CG2 4.41Å; F154-T282 HydrophobicContact CE2-CG2 3.84Å; F154-A283 HydrophobicContact CE1-CB 4.14Å; F154-A283 HydrophobicContact CZ-CB 3.79Å; F154-Y286 HydrophobicContact CB-CD1 3.59Å; F154-Y286 HydrophobicContact CB-CD2 3.97Å; F154-Y286 HydrophobicContact CB-CE1 3.41Å; F154-Y286 VanDerWaalsContact CB-CE1 3.41Å; F154-Y286 HydrophobicContact CB-CE2 3.83Å; F154-Y286 HydrophobicContact CB-CG 3.88Å; F154-Y286 HydrophobicContact CD1-CD1 4.21Å; F154-Y286 AromaticContact CD1-CD2 3.81Å; F154-Y286 HydrophobicContact CD1-CD2 3.81Å; F154-Y286 HydrophobicContact CD1-CE2 4.43Å; F154-Y286 AromaticContact CD1-CG 3.71Å; F154-Y286 HydrophobicContact CD1-CG 3.71Å; F154-Y286 AromaticContact CD2-CD2 3.49Å; F154-Y286 HydrophobicContact CD2-CD2 3.49Å; F154-Y286 VanDerWaalsContact CD2-CD2 3.49Å; F154-Y286 AromaticContact CD2-CE2 3.39Å; F154-Y286 HydrophobicContact CD2-CE2 3.39Å; F154-Y286 HydrophobicContact CD2-CG 4.17Å; F154-Y286 AromaticContact CD2-CZ 3.98Å; F154-Y286 HydrophobicContact CE1-CD2 4.16Å; F154-Y286 HydrophobicContact CE1-CG 4.29Å; F154-Y286 AromaticContact CE2-CD2 3.86Å; F154-Y286 HydrophobicContact CE2-CD2 3.86Å; F154-Y286 HydrophobicContact CE2-CE2 4.04Å; F154-Y286 AromaticContact CG-CD1 3.92Å; F154-Y286 HydrophobicContact CG-CD1 3.92Å; F154-Y286 AromaticContact CG-CD2 3.47Å; F154-Y286 HydrophobicContact CG-CD2 3.47Å; F154-Y286 VanDerWaalsContact CG-CD2 3.47Å; F154-Y286 HydrophobicContact CG-CE1 4.05Å; F154-Y286 AromaticContact CG-CE2 3.63Å; F154-Y286 HydrophobicContact CG-CE2 3.63Å; F154-Y286 AromaticContact CG-CG 3.64Å; F154-Y286 HydrophobicContact CG-CG 3.64Å; F154-Y286 AromaticContact CG-CZ 3.92Å; F154-Y286 HydrophobicContact CZ-CD2 4.18Å
155	H	96.7	Very high	90.3	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.065	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	132.8	170.7	178.9	-89.4	0	0	0	111.6	R157 Y195 Q197 D242 Y244	H155-R157 WeakPolarHBondContact NE2-CB 3.49Å; H155-R157 PolarHBondContact NE2-NE 3.24Å; H155-R157 PolarHBondContact NE2-NH2 3.41Å; H155-Y195 WeakPolarHBondContact CB-OH 3.2Å; H155-Y195 PolarHBondContact N-OH 2.74Å; H155-Q197 HydrophobicContact CB-CG 3.96Å; H155-Q197 PolarHBondContact ND1-NE2 3.07Å; H155-D242 IonicContact NE2-OD2 2.66Å; H155-D242 PolarHBondContact NE2-OD2 2.92Å; H155-Y244 HydrophobicContact CB-CD1 4.17Å; H155-Y244 HydrophobicContact CB-CE1 3.84Å; H155-Y244 AromaticContact CD2-CZ 3.87Å
156	Y	95.6	Very high	90.4	Very high	19 Å²	19	34.3 Å²	34.3	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.9	178.9	-174.7	-96.3	0	0	0	111.3	F154 F165 A173 I177 V243 T282	F154-Y156 HydrophobicContact CE2-CD2 4.39Å; Y156-F165 AromaticContact CD1-CE2 3.95Å; Y156-F165 HydrophobicContact CD1-CE2 3.95Å; Y156-F165 HydrophobicContact CD1-CZ 4.16Å; Y156-F165 HydrophobicContact CE1-CE2 4.2Å; Y156-F165 AromaticContact CE1-CZ 3.92Å; Y156-F165 HydrophobicContact CE1-CZ 3.92Å; Y156-A173 HydrophobicContact CD1-CB 4.33Å; Y156-A173 HydrophobicContact CE1-CB 4.09Å; Y156-I177 HydrophobicContact CD2-CD1 3.69Å; Y156-I177 HydrophobicContact CE2-CD1 3.81Å; Y156-I177 HydrophobicContact CE2-CG2 4.03Å; Y156-I177 HydrophobicContact CG-CD1 4.14Å; Y156-V243 HydrophobicContact CD1-CG1 4.05Å; Y156-V243 PolarHBondContact N-O 3.02Å; Y156-V243 PolarHBondContact O-N 2.9Å; Y156-V243 VanDerWaalsContact O-N 3.1Å; Y156-T282 HydrophobicContact CD2-CG2 4.03Å; Y156-T282 HydrophobicContact CE2-CG2 4.18Å
157	R	90.4	Very high	90.4	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	16%	0.161	C	C	.	.			trans	-140.7	147.6	-176.3	176	-176.7	-68.4	148.6	7.9	109	H155 G161 D199 D242 Q333	H155-R157 WeakPolarHBondContact NE2-CB 3.49Å; H155-R157 PolarHBondContact NE2-NE 3.24Å; H155-R157 PolarHBondContact NE2-NH2 3.41Å; R157-G161 VanDerWaalsContact CD-O 3.26Å; R157-G161 WeakPolarHBondContact CD-O 3.34Å; R157-G161 WeakPolarHBondContact CG-O 3.31Å; R157-D199 IonicContact CZ-OD2 2.98Å; R157-D199 IonicContact NH1-OD2 3.53Å; R157-D199 IonicContact NH2-OD1 3.56Å; R157-D199 PolarHBondContact NH2-OD1 2.88Å; R157-D199 IonicContact NH2-OD2 2.78Å; R157-D199 PolarHBondContact NH2-OD2 3.19Å; R157-D242 IonicContact CZ-OD2 2.68Å; R157-D242 IonicContact NE-OD1 2.69Å; R157-D242 IonicContact NE-OD2 3.11Å; R157-D242 PolarHBondContact NE-OD2 3.4Å; R157-D242 IonicContact NH2-OD2 2.62Å; R157-D242 PolarHBondContact NH2-OD2 2.71Å; R157-Q333 PolarHBondContact NH1-O 2.95Å; R157-Q333 VanDerWaalsContact NH1-O 3.08Å
158	D	84	Confident	90.5	Very high	40 Å²	40	36.6 Å²	36.6	21%	0.214	18%	0.184	C	C	.	.			trans	-72	162.4	176	-155.8	-13.8	0	0	0	113.1	L160 F165	D158-L160 HydrophobicContact CB-CB 4.4Å; D158-L160 WeakPolarHBondContact OD2-CD1 3.38Å; D158-L160 WeakPolarHBondContact OD2-CG 3.38Å; D158-F165 HydrophobicContact CB-CE1 3.86Å; D158-F165 HydrophobicContact CB-CZ 3.65Å
159	A	80.6	Confident	90.6	Very high	35 Å²	35	37.3 Å²	37.3	29%	0.289	19%	0.189	S	C	.	.	S	Bend	trans	-63.8	-32.4	164.3	0	0	0	0	0	112	G161 G335 F336	A159-G161 VanDerWaalsContact C-N 3.34Å; A159-G161 PolarHBondContact O-N 2.95Å; A159-G335 VanDerWaalsContact O-CA 3.23Å; A159-G335 WeakPolarHBondContact O-CA 3.37Å; A159-G335 PolarHBondContact O-N 2.81Å; A159-F336 HydrophobicContact CB-CB 4.47Å; A159-F336 HydrophobicContact CB-CD1 4.48Å; A159-F336 HydrophobicContact CB-CD2 3.66Å; A159-F336 HydrophobicContact CB-CE2 3.9Å; A159-F336 HydrophobicContact CB-CG 3.96Å; A159-F336 HydrophobicContact CB-CZ 4.39Å
160	L	75.6	Confident	90.8	Very high	150 Å²	150	37.1 Å²	37.1	79%	0.785	19%	0.188	S	C	*	.	S	Bend	trans	-65.3	-28.9	-170	-63.1	-176.8	0	0	0	114.7	D158	D158-L160 HydrophobicContact CB-CB 4.4Å; D158-L160 WeakPolarHBondContact OD2-CD1 3.38Å; D158-L160 WeakPolarHBondContact OD2-CG 3.38Å
161	G	76	Confident	91	Very high	13 Å²	13	39.9 Å²	39.9	13%	0.134	20%	0.201	C	C	.	.			trans	174.9	-171.2	-176	0	0	0	0	0	113.2	R157 A159	R157-G161 VanDerWaalsContact CD-O 3.26Å; R157-G161 WeakPolarHBondContact CD-O 3.34Å; R157-G161 WeakPolarHBondContact CG-O 3.31Å; A159-G161 VanDerWaalsContact C-N 3.34Å; A159-G161 PolarHBondContact O-N 2.95Å
162	R	83.3	Confident	91.2	Very high	107 Å²	107	46 Å²	46	40%	0.404	22%	0.221	S	C	.	.	S	Bend	trans	-91	153.6	158.4	-52.8	-165.1	-173.1	178.8	5	108.3	S164 D199 N332 T334	R162-S164 PolarHBondContact O-OG 2.87Å; R162-D199 IonicContact NH1-OD1 2.71Å; R162-N332 VanDerWaalsContact CZ-O 3.28Å; R162-N332 PolarHBondContact NE-O 3.03Å; R162-N332 PolarHBondContact NH2-O 2.67Å; R162-T334 HydrophobicContact CG-CG2 3.65Å
163	Y	88.2	Confident	91.2	Very high	86 Å²	86	46.2 Å²	46.2	34%	0.337	22%	0.224	S	C	.	.	S	Bend	trans	53.8	60.2	170.7	-54.5	-28.7	0	0	0	111.2	D199 A200 L240 D242	Y163-D199 HydrophobicContact CE1-CB 4.21Å; Y163-A200 HydrophobicContact CE1-CB 4.36Å; Y163-A200 VanDerWaalsContact CE1-O 3.27Å; Y163-A200 WeakPolarHBondContact CE1-O 2.96Å; Y163-A200 PolarHBondContact OH-N 3.43Å; Y163-L240 VanDerWaalsContact O-CB 3.23Å; Y163-L240 WeakPolarHBondContact O-CB 3.42Å; Y163-D242 HydrophobicContact CD1-CB 4.24Å; Y163-D242 PolarHBondContact N-OD1 2.88Å
164	S	89.2	Confident	91.2	Very high	31 Å²	31	45.8 Å²	45.8	22%	0.217	22%	0.222	C	C	.	.			trans	-118.6	0.9	-166.6	-56.3	0	0	0	0	114.1	R162 F241	R162-S164 PolarHBondContact O-OG 2.87Å; S164-F241 PolarHBondContact N-O 3.01Å
165	F	94.2	Very high	91.2	Very high	14 Å²	14	51.8 Å²	51.8	6%	0.061	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-113.9	126.5	179	-54.6	-52.2	0	0	0	112	Y156 D158 Q169 A170 A173 W202 L240 F241 V243	Y156-F165 AromaticContact CD1-CE2 3.95Å; Y156-F165 HydrophobicContact CD1-CE2 3.95Å; Y156-F165 HydrophobicContact CD1-CZ 4.16Å; Y156-F165 HydrophobicContact CE1-CE2 4.2Å; Y156-F165 AromaticContact CE1-CZ 3.92Å; Y156-F165 HydrophobicContact CE1-CZ 3.92Å; D158-F165 HydrophobicContact CB-CE1 3.86Å; D158-F165 HydrophobicContact CB-CZ 3.65Å; F165-Q169 HydrophobicContact CB-CB 4.06Å; F165-Q169 HydrophobicContact CD1-CB 4.16Å; F165-A170 HydrophobicContact CB-CB 3.93Å; F165-A173 HydrophobicContact CD1-CB 4.36Å; F165-A173 HydrophobicContact CE1-CB 3.95Å; F165-A173 HydrophobicContact CE2-CB 4.11Å; F165-A173 HydrophobicContact CZ-CB 3.81Å; F165-W202 PolarHBondContact O-NE1 2.78Å; F165-L240 WeakPolarHBondContact O-CA 3.2Å; F165-F241 PolarHBondContact N-O 2.82Å; F165-F241 PolarHBondContact O-N 2.96Å; F165-V243 HydrophobicContact CD2-CB 4.46Å; F165-V243 HydrophobicContact CD2-CG1 3.99Å; F165-V243 HydrophobicContact CE2-CG1 4.03Å
166	S	95.4	Very high	91	Very high	16 Å²	16	54.2 Å²	54.2	11%	0.112	28%	0.278	C	S	.	.			trans	-67.4	164	155	81.3	0	0	0	0	110.2	Q168 Q169 A170 P237 D239	S166-Q168 VanDerWaalsContact C-N 3.28Å; S166-Q168 PolarHBondContact O-N 2.78Å; S166-Q169 CarbonylContact O-C 3.55Å; S166-Q169 WeakPolarHBondContact O-CA 3.36Å; S166-Q169 WeakPolarHBondContact O-CB 3.42Å; S166-Q169 PolarHBondContact O-N 2.92Å; S166-Q169 WeakPolarHBondContact OG-CG 3.39Å; S166-A170 PolarHBondContact O-N 3.3Å; S166-P237 WeakPolarHBondContact CB-O 3.37Å; S166-D239 WeakPolarHBondContact CA-O 3.26Å
167	F	93.5	Very high	91	Very high	25 Å²	25	53.5 Å²	53.5	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-41.3	-175	179.2	-119.4	0	0	0	113	Q169 A170 Q171 W202 L203 Q206 P237	F167-Q169 VanDerWaalsContact C-N 3.35Å; F167-Q169 PolarHBondContact O-N 2.95Å; F167-A170 WeakPolarHBondContact O-CB 3.38Å; F167-A170 PolarHBondContact O-N 3Å; F167-Q171 WeakPolarHBondContact O-CG 3.23Å; F167-Q171 PolarHBondContact O-N 2.93Å; F167-Q171 VanDerWaalsContact O-N 3.12Å; F167-W202 HydrophobicContact CB-CD2 4.16Å; F167-W202 HydrophobicContact CB-CE3 4.29Å; F167-W202 HydrophobicContact CB-CH2 4.05Å; F167-W202 HydrophobicContact CB-CZ2 3.9Å; F167-W202 HydrophobicContact CB-CZ3 4.24Å; F167-W202 HydrophobicContact CD2-CB 4.46Å; F167-W202 AromaticContact CD2-CD2 3.91Å; F167-W202 HydrophobicContact CD2-CD2 3.91Å; F167-W202 AromaticContact CD2-CE3 3.72Å; F167-W202 HydrophobicContact CD2-CE3 3.72Å; F167-W202 HydrophobicContact CD2-CG 4.27Å; F167-W202 HydrophobicContact CD2-CZ3 4.24Å; F167-W202 HydrophobicContact CG-CE3 4.38Å; F167-L203 WeakPolarHBondContact CE2-O 3.45Å; F167-Q206 HydrophobicContact CB-CG 4.5Å; F167-Q206 HydrophobicContact CD1-CB 4.43Å; F167-Q206 HydrophobicContact CD1-CG 3.85Å; F167-Q206 HydrophobicContact CD2-CB 4.39Å; F167-Q206 HydrophobicContact CD2-CG 4.09Å; F167-Q206 HydrophobicContact CE1-CB 4.08Å; F167-Q206 HydrophobicContact CE1-CG 4Å; F167-Q206 HydrophobicContact CE2-CB 4.07Å; F167-Q206 HydrophobicContact CE2-CG 4.25Å; F167-Q206 HydrophobicContact CG-CG 3.88Å; F167-Q206 HydrophobicContact CZ-CB 3.89Å; F167-Q206 HydrophobicContact CZ-CG 4.19Å; F167-P237 HydrophobicContact CB-CB 4.39Å; F167-P237 PolarHBondContact N-O 2.84Å
168	Q	94.7	Very high	91.2	Very high	107 Å²	107	55.7 Å²	55.7	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-71.9	-27.6	177.1	-162.4	-169.8	68.8	0	0	112.8	S166 R172	S166-Q168 VanDerWaalsContact C-N 3.28Å; S166-Q168 PolarHBondContact O-N 2.78Å; Q168-R172 WeakPolarHBondContact O-CG 3.26Å; Q168-R172 PolarHBondContact O-N 3.08Å; Q168-R172 VanDerWaalsContact OE1-CZ 3.23Å
169	Q	96.4	Very high	91.8	Very high	84 Å²	84	54.2 Å²	54.2	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-73.4	-38.5	172.4	-68.3	170.5	-25.5	0	0	110.9	F165 S166 F167 Q171 R172 A173	F165-Q169 HydrophobicContact CB-CB 4.06Å; F165-Q169 HydrophobicContact CD1-CB 4.16Å; S166-Q169 CarbonylContact O-C 3.55Å; S166-Q169 WeakPolarHBondContact O-CA 3.36Å; S166-Q169 WeakPolarHBondContact O-CB 3.42Å; S166-Q169 PolarHBondContact O-N 2.92Å; S166-Q169 WeakPolarHBondContact OG-CG 3.39Å; F167-Q169 VanDerWaalsContact C-N 3.35Å; F167-Q169 PolarHBondContact O-N 2.95Å; Q169-Q171 PolarHBondContact O-N 2.86Å; Q169-R172 PolarHBondContact O-N 2.89Å; Q169-A173 VanDerWaalsContact O-CB 3.29Å; Q169-A173 WeakPolarHBondContact O-CB 3.43Å; Q169-A173 PolarHBondContact O-N 3.07Å
170	A	97	Very high	92.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-42.3	177.7	0	0	0	0	0	112.3	F165 S166 F167 A173 C174 W202 V243	F165-A170 HydrophobicContact CB-CB 3.93Å; S166-A170 PolarHBondContact O-N 3.3Å; F167-A170 WeakPolarHBondContact O-CB 3.38Å; F167-A170 PolarHBondContact O-N 3Å; A170-A173 PolarHBondContact O-N 2.94Å; A170-C174 PolarHBondContact O-N 3.47Å; A170-C174 VanDerWaalsContact O-N 3.13Å; A170-W202 HydrophobicContact CB-CB 4.04Å; A170-W202 HydrophobicContact CB-CG 3.96Å; A170-V243 HydrophobicContact CB-CB 3.85Å; A170-V243 HydrophobicContact CB-CG1 4.47Å; A170-V243 HydrophobicContact CB-CG2 3.84Å
171	Q	96.7	Very high	93.6	Very high	70 Å²	70	52.9 Å²	52.9	33%	0.327	28%	0.277	S	S	.	.	H	α-helix	trans	-55.6	-57.1	171.2	-72.2	175	-31.5	0	0	111.5	F167 Q169 A173 C174 E175 V181	F167-Q171 WeakPolarHBondContact O-CG 3.23Å; F167-Q171 PolarHBondContact O-N 2.93Å; F167-Q171 VanDerWaalsContact O-N 3.12Å; Q169-Q171 PolarHBondContact O-N 2.86Å; Q171-A173 PolarHBondContact O-N 3.31Å; Q171-C174 PolarHBondContact O-N 2.92Å; Q171-E175 WeakPolarHBondContact O-CG 3.17Å; Q171-E175 PolarHBondContact O-N 3.47Å; Q171-V181 HydrophobicContact CB-CG2 4.36Å; Q171-V181 HydrophobicContact CG-CG2 3.91Å
172	R	96.4	Very high	94.7	Very high	135 Å²	135	52.3 Å²	52.3	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-60.3	-31.7	178.2	-67	-178.2	-171.8	115.2	-2.4	113.3	Q168 Q169 G176	Q168-R172 WeakPolarHBondContact O-CG 3.26Å; Q168-R172 PolarHBondContact O-N 3.08Å; Q168-R172 VanDerWaalsContact OE1-CZ 3.23Å; Q169-R172 PolarHBondContact O-N 2.89Å; R172-G176 PolarHBondContact O-N 2.85Å
173	A	95.9	Very high	95.1	Very high	15 Å²	15	49 Å²	49	12%	0.124	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-44.9	179	0	0	0	0	0	111.6	Y156 F165 Q169 A170 Q171 I177	Y156-A173 HydrophobicContact CD1-CB 4.33Å; Y156-A173 HydrophobicContact CE1-CB 4.09Å; F165-A173 HydrophobicContact CD1-CB 4.36Å; F165-A173 HydrophobicContact CE1-CB 3.95Å; F165-A173 HydrophobicContact CE2-CB 4.11Å; F165-A173 HydrophobicContact CZ-CB 3.81Å; Q169-A173 VanDerWaalsContact O-CB 3.29Å; Q169-A173 WeakPolarHBondContact O-CB 3.43Å; Q169-A173 PolarHBondContact O-N 3.07Å; A170-A173 PolarHBondContact O-N 2.94Å; Q171-A173 PolarHBondContact O-N 3.31Å; A173-I177 PolarHBondContact O-N 3.05Å
174	C	97.8	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-45.7	172.3	-63.3	0	0	0	0	111.5	A170 Q171 G176 I177 G178 A179 Q180 V181 V243 C245	A170-C174 PolarHBondContact O-N 3.47Å; A170-C174 VanDerWaalsContact O-N 3.13Å; Q171-C174 PolarHBondContact O-N 2.92Å; C174-G176 VanDerWaalsContact C-N 3.33Å; C174-G176 PolarHBondContact O-N 3.04Å; C174-I177 WeakPolarHBondContact O-CG1 3.27Å; C174-I177 PolarHBondContact O-N 3.36Å; C174-G178 PolarHBondContact O-N 3.26Å; C174-A179 CarbonylContact C-O 3.42Å; C174-A179 VanDerWaalsContact C-O 3.26Å; C174-A179 HydrophobicContact CB-CB 4.17Å; C174-A179 CarbonylContact O-C 3.54Å; C174-A179 WeakPolarHBondContact O-CA 3.37Å; C174-A179 PolarHBondContact O-N 3.38Å; C174-A179 VanDerWaalsContact O-O 3.12Å; C174-Q180 WeakPolarHBondContact CB-O 3.26Å; C174-V181 HydrophobicContact CB-CG2 4.45Å; C174-V243 VanDerWaalsContact SG-CG2 3.55Å; C174-C245 WeakPolarHBondContact CA-SG 3.39Å; C174-C245 HydrophobicContact CB-CB 3.88Å; C174-C245 WeakPolarHBondContact CB-SG 3.18Å; C174-C245 VanDerWaalsContact SG-CA 3.5Å; C174-C245 WeakPolarHBondContact SG-CB 3.21Å; C174-C245 CovalentContact SG-SG 2.04Å; C174-C245 PolarHBondContact SG-SG 3.05Å
175	E	96.9	Very high	94.8	Very high	126 Å²	126	48.2 Å²	48.2	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-57.5	-44.2	178	-71.3	173.8	163.6	0	0	112.1	Q171 I177 G178 A179	Q171-E175 WeakPolarHBondContact O-CG 3.17Å; Q171-E175 PolarHBondContact O-N 3.47Å; E175-I177 VanDerWaalsContact C-N 3.25Å; E175-I177 PolarHBondContact O-N 3.34Å; E175-G178 PolarHBondContact O-N 2.89Å; E175-A179 WeakPolarHBondContact CA-O 3.44Å; E175-A179 PolarHBondContact N-O 3.14Å
176	G	94.2	Very high	94.8	Very high	64 Å²	64	48.9 Å²	48.9	66%	0.66	27%	0.266	S	S	*	.	H	α-helix	trans	-63.7	-25	-179.5	0	0	0	0	0	114.5	R172 C174	R172-G176 PolarHBondContact O-N 2.85Å; C174-G176 VanDerWaalsContact C-N 3.33Å; C174-G176 PolarHBondContact O-N 3.04Å
177	I	95.5	Very high	94.8	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	5	171.4	65.5	172.3	0	0	0	113.2	F154 Y156 A173 C174 E175 A179 T281 T282 A283 D303	F154-I177 HydrophobicContact CE2-CD1 3.63Å; F154-I177 HydrophobicContact CZ-CD1 3.66Å; Y156-I177 HydrophobicContact CD2-CD1 3.69Å; Y156-I177 HydrophobicContact CE2-CD1 3.81Å; Y156-I177 HydrophobicContact CE2-CG2 4.03Å; Y156-I177 HydrophobicContact CG-CD1 4.14Å; A173-I177 PolarHBondContact O-N 3.05Å; C174-I177 WeakPolarHBondContact O-CG1 3.27Å; C174-I177 PolarHBondContact O-N 3.36Å; E175-I177 VanDerWaalsContact C-N 3.25Å; E175-I177 PolarHBondContact O-N 3.34Å; I177-A179 HydrophobicContact CD1-CB 4.47Å; I177-A179 HydrophobicContact CG1-CB 4.17Å; I177-T281 WeakPolarHBondContact O-CB 3.39Å; I177-T281 PolarHBondContact O-OG1 2.94Å; I177-T282 HydrophobicContact CD1-CG2 4.16Å; I177-A283 HydrophobicContact CD1-CB 4.34Å; I177-A283 HydrophobicContact CG1-CB 4.22Å; I177-A283 WeakPolarHBondContact O-CB 3.4Å; I177-D303 HydrophobicContact CG2-CB 4.35Å
178	G	93.7	Very high	94.6	Very high	47 Å²	47	50.1 Å²	50.1	49%	0.485	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	28.4	-179.3	0	0	0	0	0	114.6	C174 E175	C174-G178 PolarHBondContact O-N 3.26Å; E175-G178 PolarHBondContact O-N 2.89Å
179	A	97.3	Very high	94.4	Very high	8 Å²	8	45.1 Å²	45.1	7%	0.066	25%	0.249	C	C	.	.			trans	-115.9	179.4	172	0	0	0	0	0	110.9	F154 C174 E175 I177 C245 Y246 I247 A283	F154-A179 HydrophobicContact CE1-CB 4.45Å; F154-A179 HydrophobicContact CZ-CB 4.13Å; C174-A179 CarbonylContact C-O 3.42Å; C174-A179 VanDerWaalsContact C-O 3.26Å; C174-A179 HydrophobicContact CB-CB 4.17Å; C174-A179 CarbonylContact O-C 3.54Å; C174-A179 WeakPolarHBondContact O-CA 3.37Å; C174-A179 PolarHBondContact O-N 3.38Å; C174-A179 VanDerWaalsContact O-O 3.12Å; E175-A179 WeakPolarHBondContact CA-O 3.44Å; E175-A179 PolarHBondContact N-O 3.14Å; I177-A179 HydrophobicContact CD1-CB 4.47Å; I177-A179 HydrophobicContact CG1-CB 4.17Å; A179-C245 HydrophobicContact CB-CB 3.84Å; A179-Y246 WeakPolarHBondContact CA-O 3.37Å; A179-Y246 WeakPolarHBondContact CB-O 3.48Å; A179-I247 HydrophobicContact CB-CB 4.45Å; A179-A283 HydrophobicContact CB-CB 3.78Å
180	Q	96.3	Very high	94.4	Very high	139 Å²	139	41.5 Å²	41.5	65%	0.65	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118	169.6	164.7	-70.2	169.6	73.9	0	0	108.7	C174 C245 Y246	C174-Q180 WeakPolarHBondContact CB-O 3.26Å; Q180-C245 CarbonylContact O-C 3.56Å; Q180-C245 VanDerWaalsContact O-CA 3.23Å; Q180-C245 WeakPolarHBondContact O-CA 3.29Å; Q180-Y246 PolarHBondContact N-O 3.44Å; Q180-Y246 PolarHBondContact O-N 3.22Å
181	V	97.9	Very high	94.3	Very high	19 Å²	19	43 Å²	43	12%	0.115	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	137.3	167.6	-172	0	0	0	0	108.5	Q171 C174 L203 A204 V243	Q171-V181 HydrophobicContact CB-CG2 4.36Å; Q171-V181 HydrophobicContact CG-CG2 3.91Å; C174-V181 HydrophobicContact CB-CG2 4.45Å; V181-L203 VanDerWaalsContact CG1-C 3.44Å; V181-A204 HydrophobicContact CB-CB 4.41Å; V181-A204 HydrophobicContact CG1-CB 4.46Å; V181-V243 HydrophobicContact CG1-CG2 3.93Å; V181-V243 HydrophobicContact CG2-CG2 4.2Å
182	A	97.8	Very high	94	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-68.3	147.6	179.9	0	0	0	0	0	112	V153 L203 A204 Y244	V153-A182 HydrophobicContact CG1-CB 4Å; V153-A182 HydrophobicContact CG2-CB 4.05Å; A182-L203 HydrophobicContact CB-CD2 3.96Å; A182-L203 WeakPolarHBondContact O-CA 3.08Å; A182-L203 WeakPolarHBondContact O-CD2 3.23Å; A182-A204 WeakPolarHBondContact O-CB 3.38Å; A182-A204 PolarHBondContact O-N 2.93Å; A182-Y244 WeakPolarHBondContact CB-O 3.47Å; A182-Y244 PolarHBondContact N-O 3.43Å
183	T	91.8	Very high	93.7	Very high	38 Å²	38	40.5 Å²	40.5	23%	0.233	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-79	161.5	168.3	75.1	0	0	0	0	111.2	D185 Q186 L187 A204	T183-D185 VanDerWaalsContact CB-OD2 3.29Å; T183-D185 WeakPolarHBondContact CB-OD2 3.37Å; T183-D185 PolarHBondContact O-N 3.43Å; T183-D185 PolarHBondContact OG1-N 3.05Å; T183-D185 PolarHBondContact OG1-OD2 2.84Å; T183-Q186 PolarHBondContact O-N 3.01Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.16Å; T183-Q186 PolarHBondContact OG1-N 3.25Å; T183-Q186 VanDerWaalsContact OG1-N 3.17Å; T183-L187 PolarHBondContact O-N 3.46Å; T183-L187 VanDerWaalsContact O-N 3.09Å; T183-A204 HydrophobicContact CG2-CB 4.46Å
184	P	88.5	Confident	93.5	Very high	20 Å²	20	41.8 Å²	41.8	13%	0.13	25%	0.249	C	C	.	.	H	α-helix	trans	-48.6	-42.3	168.9	-30.9	39.4	0	0	0	114	L187 L188 L203 D205	P184-L187 PolarHBondContact O-N 2.82Å; P184-L188 WeakPolarHBondContact O-CB 3.32Å; P184-L188 PolarHBondContact O-N 3.28Å; P184-L203 HydrophobicContact CB-CD1 4.48Å; P184-L203 HydrophobicContact CG-CD1 4.29Å; P184-D205 HydrophobicContact CG-CB 4.18Å; P184-D205 WeakPolarHBondContact CG-OD2 3.26Å
185	D	83.2	Confident	93.3	Very high	81 Å²	81	44.7 Å²	44.7	43%	0.433	26%	0.26	S	S	.	.	H	α-helix	trans	-76.6	-35.8	-171.7	-19.1	-69.9	0	0	0	110.6	T183 L188 A189	T183-D185 VanDerWaalsContact CB-OD2 3.29Å; T183-D185 WeakPolarHBondContact CB-OD2 3.37Å; T183-D185 PolarHBondContact O-N 3.43Å; T183-D185 PolarHBondContact OG1-N 3.05Å; T183-D185 PolarHBondContact OG1-OD2 2.84Å; D185-L188 PolarHBondContact O-N 2.81Å; D185-A189 VanDerWaalsContact O-CB 3.24Å; D185-A189 WeakPolarHBondContact O-CB 3.27Å; D185-A189 PolarHBondContact O-N 2.69Å
186	Q	94.9	Very high	93	Very high	27 Å²	27	40.7 Å²	40.7	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-41.8	168.8	-72.5	165.2	4	0	0	111.5	L46 V153 T183 A190 Y246	L46-Q186 WeakPolarHBondContact O-CG 3.45Å; V153-Q186 HydrophobicContact CG2-CB 3.71Å; V153-Q186 WeakPolarHBondContact CG2-O 3.44Å; T183-Q186 PolarHBondContact O-N 3.01Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.16Å; T183-Q186 PolarHBondContact OG1-N 3.25Å; T183-Q186 VanDerWaalsContact OG1-N 3.17Å; Q186-A190 VanDerWaalsContact O-CB 3.29Å; Q186-A190 WeakPolarHBondContact O-CB 3.47Å; Q186-A190 PolarHBondContact O-N 2.73Å; Q186-Y246 HydrophobicContact CG-CD2 4.33Å; Q186-Y246 HydrophobicContact CG-CE2 4.4Å; Q186-Y246 VanDerWaalsContact OE1-CG 3.23Å
187	L	94.8	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.9	-38.1	175.4	-171.9	69.5	0	0	0	111.5	V153 T183 P184 Y191 Y195 L203 R209 P211 V229 Y244	V153-L187 HydrophobicContact CG1-CD1 3.88Å; T183-L187 PolarHBondContact O-N 3.46Å; T183-L187 VanDerWaalsContact O-N 3.09Å; P184-L187 PolarHBondContact O-N 2.82Å; L187-Y191 WeakPolarHBondContact O-CB 3.2Å; L187-Y191 PolarHBondContact O-N 3.35Å; L187-Y195 HydrophobicContact CD1-CD1 4.36Å; L187-Y195 HydrophobicContact CD1-CE1 4.26Å; L187-L203 HydrophobicContact CB-CD1 4.49Å; L187-L203 HydrophobicContact CB-CD2 4.23Å; L187-L203 HydrophobicContact CD2-CD1 3.95Å; L187-L203 HydrophobicContact CD2-CD2 4.16Å; L187-L203 HydrophobicContact CD2-CG 4.48Å; L187-R209 HydrophobicContact CD2-CB 3.87Å; L187-P211 HydrophobicContact CD1-CG 4.01Å; L187-V229 HydrophobicContact CD2-CG1 3.79Å; L187-V229 HydrophobicContact CG-CG1 4.41Å; L187-Y244 HydrophobicContact CD1-CD1 3.67Å; L187-Y244 HydrophobicContact CD1-CE1 3.99Å; L187-Y244 HydrophobicContact CD1-CG 4.01Å
188	L	88.7	Confident	92.7	Very high	67 Å²	67	40.7 Å²	40.7	35%	0.351	23%	0.228	S	C	.	.	H	α-helix	trans	-70.1	-42.7	178.9	-176.1	60.7	0	0	0	112.2	P184 D185 Y191 F192 V229	P184-L188 WeakPolarHBondContact O-CB 3.32Å; P184-L188 PolarHBondContact O-N 3.28Å; D185-L188 PolarHBondContact O-N 2.81Å; L188-Y191 HydrophobicContact CD1-CD1 4.2Å; L188-Y191 WeakPolarHBondContact O-CB 3.45Å; L188-Y191 PolarHBondContact O-N 3.18Å; L188-F192 HydrophobicContact CD1-CD2 4.19Å; L188-F192 HydrophobicContact CD1-CE2 3.65Å; L188-F192 HydrophobicContact CD1-CZ 4.26Å; L188-F192 HydrophobicContact CD2-CE2 4.32Å; L188-F192 HydrophobicContact CG-CD2 4.08Å; L188-F192 HydrophobicContact CG-CE2 3.72Å; L188-F192 WeakPolarHBondContact O-CD2 3.34Å; L188-F192 PolarHBondContact O-N 2.87Å; L188-V229 HydrophobicContact CD1-CG2 3.89Å
189	A	90.9	Very high	92.6	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-45.1	172.6	0	0	0	0	0	111.2	L46 D185 Y191 F192 D193	L46-A189 HydrophobicContact CD1-CB 4.21Å; L46-A189 HydrophobicContact CG-CB 4.02Å; D185-A189 VanDerWaalsContact O-CB 3.24Å; D185-A189 WeakPolarHBondContact O-CB 3.27Å; D185-A189 PolarHBondContact O-N 2.69Å; A189-Y191 VanDerWaalsContact C-N 3.31Å; A189-Y191 PolarHBondContact O-N 2.84Å; A189-F192 PolarHBondContact O-N 2.91Å; A189-F192 VanDerWaalsContact O-N 3.08Å; A189-D193 PolarHBondContact O-N 3.03Å
190	A	95.6	Very high	92.4	Very high	8 Å²	8	39 Å²	39	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-39.8	173.4	0	0	0	0	0	112.2	L46 V153 Q186 D193 G194 Y195	L46-A190 HydrophobicContact CD2-CB 4.28Å; V153-A190 HydrophobicContact CB-CB 4.09Å; V153-A190 HydrophobicContact CG2-CB 4.36Å; Q186-A190 VanDerWaalsContact O-CB 3.29Å; Q186-A190 WeakPolarHBondContact O-CB 3.47Å; Q186-A190 PolarHBondContact O-N 2.73Å; A190-D193 PolarHBondContact O-N 3.1Å; A190-G194 PolarHBondContact O-N 3.31Å; A190-Y195 HydrophobicContact CB-CD1 4.15Å; A190-Y195 HydrophobicContact CB-CG 4.41Å; A190-Y195 WeakPolarHBondContact O-CB 3.44Å; A190-Y195 PolarHBondContact O-N 3.29Å
191	Y	95.1	Very high	92.4	Very high	31 Å²	31	32.3 Å²	32.3	12%	0.122	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-42.8	171.7	165.1	-93.5	0	0	0	111.6	L187 L188 A189 D193 G194 P211 Q213 G228 V229	L187-Y191 WeakPolarHBondContact O-CB 3.2Å; L187-Y191 PolarHBondContact O-N 3.35Å; L188-Y191 HydrophobicContact CD1-CD1 4.2Å; L188-Y191 WeakPolarHBondContact O-CB 3.45Å; L188-Y191 PolarHBondContact O-N 3.18Å; A189-Y191 VanDerWaalsContact C-N 3.31Å; A189-Y191 PolarHBondContact O-N 2.84Å; Y191-D193 VanDerWaalsContact C-N 3.26Å; Y191-D193 PolarHBondContact O-N 3.13Å; Y191-G194 PolarHBondContact O-N 2.88Å; Y191-P211 HydrophobicContact CD2-CB 3.96Å; Y191-P211 HydrophobicContact CG-CB 4.44Å; Y191-Q213 PolarHBondContact O-NE2 3.26Å; Y191-G228 WeakPolarHBondContact OH-CA 3.31Å; Y191-G228 PolarHBondContact OH-N 3.09Å; Y191-V229 HydrophobicContact CD1-CG2 4.08Å; Y191-V229 HydrophobicContact CD2-CG2 4.13Å; Y191-V229 HydrophobicContact CG-CG2 3.67Å
192	F	90.7	Very high	92.4	Very high	96 Å²	96	31.4 Å²	31.4	42%	0.421	17%	0.17	S	C	.	.	H	α-helix	trans	-69.4	-19.7	176.4	-73.8	-61	0	0	0	114.4	R123 L188 A189 G194	R123-F192 HydrophobicContact CG-CB 4.46Å; L188-F192 HydrophobicContact CD1-CD2 4.19Å; L188-F192 HydrophobicContact CD1-CE2 3.65Å; L188-F192 HydrophobicContact CD1-CZ 4.26Å; L188-F192 HydrophobicContact CD2-CE2 4.32Å; L188-F192 HydrophobicContact CG-CD2 4.08Å; L188-F192 HydrophobicContact CG-CE2 3.72Å; L188-F192 WeakPolarHBondContact O-CD2 3.34Å; L188-F192 PolarHBondContact O-N 2.87Å; A189-F192 PolarHBondContact O-N 2.91Å; A189-F192 VanDerWaalsContact O-N 3.08Å; F192-G194 VanDerWaalsContact C-N 3.27Å
193	D	90	Very high	92.3	Very high	57 Å²	57	31.4 Å²	31.4	31%	0.305	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	4.1	166.7	-72.4	-54.1	0	0	0	113.8	H124 S125 A189 A190 Y191	H124-D193 VanDerWaalsContact CB-OD2 3.31Å; H124-D193 WeakPolarHBondContact CB-OD2 3.28Å; H124-D193 PolarHBondContact N-OD1 3.33Å; H124-D193 PolarHBondContact N-OD2 3.1Å; S125-D193 WeakPolarHBondContact CB-OD1 3.28Å; S125-D193 PolarHBondContact N-OD1 2.89Å; S125-D193 PolarHBondContact OG-OD1 3.03Å; A189-D193 PolarHBondContact O-N 3.03Å; A190-D193 PolarHBondContact O-N 3.1Å; Y191-D193 VanDerWaalsContact C-N 3.26Å; Y191-D193 PolarHBondContact O-N 3.13Å
194	G	91.3	Very high	92.4	Very high	42 Å²	42	31.9 Å²	31.9	43%	0.433	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	12.4	176.8	0	0	0	0	0	115.5	A190 Y191 F192 Q213	A190-G194 PolarHBondContact O-N 3.31Å; Y191-G194 PolarHBondContact O-N 2.88Å; F192-G194 VanDerWaalsContact C-N 3.27Å; G194-Q213 WeakPolarHBondContact O-CG 3.33Å
195	Y	93.4	Very high	92.2	Very high	62 Å²	62	33.9 Å²	33.9	24%	0.243	19%	0.188	C	C	.	.			trans	-67.3	138.3	175.6	-173.2	-127.9	0	0	0	111.7	V153 H155 L187 A190 P211 Q213 Y244	V153-Y195 HydrophobicContact CG1-CE1 4.4Å; H155-Y195 WeakPolarHBondContact CB-OH 3.2Å; H155-Y195 PolarHBondContact N-OH 2.74Å; L187-Y195 HydrophobicContact CD1-CD1 4.36Å; L187-Y195 HydrophobicContact CD1-CE1 4.26Å; A190-Y195 HydrophobicContact CB-CD1 4.15Å; A190-Y195 HydrophobicContact CB-CG 4.41Å; A190-Y195 WeakPolarHBondContact O-CB 3.44Å; A190-Y195 PolarHBondContact O-N 3.29Å; Y195-P211 HydrophobicContact CD1-CG 3.73Å; Y195-P211 HydrophobicContact CE1-CG 3.99Å; Y195-Q213 PolarHBondContact O-NE2 2.75Å; Y195-Y244 HydrophobicContact CE1-CD1 4.12Å; Y195-Y244 AromaticContact CE1-CE1 3.87Å; Y195-Y244 HydrophobicContact CE1-CE1 3.87Å
196	E	91.6	Very high	92.4	Very high	41 Å²	41	31.6 Å²	31.6	19%	0.192	18%	0.175	C	C	.	.			trans	-140.8	147.2	170.3	45.2	158.8	-149	0	0	112.6	P211 Q213 R216 Q321	E196-P211 CarbonylContact C-O 3.52Å; E196-P211 WeakPolarHBondContact CA-O 3.33Å; E196-P211 WeakPolarHBondContact CB-O 3.05Å; E196-Q213 HydrophobicContact CB-CB 4.32Å; E196-Q213 HydrophobicContact CB-CG 3.94Å; E196-Q213 HydrophobicContact CG-CB 4.37Å; E196-Q213 HydrophobicContact CG-CG 4.06Å; E196-R216 IonicContact OE1-NH1 2.94Å; E196-R216 IonicContact OE1-NH2 2.83Å; E196-R216 PolarHBondContact OE1-NH2 2.91Å; E196-R216 IonicContact OE2-CZ 3.84Å; E196-R216 IonicContact OE2-NH1 3.38Å; E196-R216 PolarHBondContact OE2-NH1 3Å; E196-R216 IonicContact OE2-NH2 3.71Å; E196-R216 PolarHBondContact OE2-NH2 3.04Å; E196-Q321 PolarHBondContact OE1-NE2 3.38Å
197	Q	92	Very high	91.9	Very high	35 Å²	35	30.4 Å²	30.4	16%	0.164	17%	0.169	C	C	.	.			trans	-157.4	140.5	167.8	169.5	57.2	-37.6	0	0	108.8	H155 D199 Y210 P211 Y244	H155-Q197 HydrophobicContact CB-CG 3.96Å; H155-Q197 PolarHBondContact ND1-NE2 3.07Å; Q197-D199 HydrophobicContact CG-CB 4.27Å; Q197-D199 PolarHBondContact NE2-OD2 3.46Å; Q197-Y210 WeakPolarHBondContact O-CD2 3.45Å; Q197-P211 PolarHBondContact N-O 3.49Å; Q197-Y244 HydrophobicContact CB-CE1 4.21Å; Q197-Y244 WeakPolarHBondContact CB-OH 3.21Å; Q197-Y244 HydrophobicContact CG-CE1 4.29Å; Q197-Y244 WeakPolarHBondContact CG-OH 3.13Å
198	C	91.1	Very high	91.8	Very high	34 Å²	34	30.4 Å²	30.4	23%	0.23	17%	0.169	C	C	.	.			trans	-102	0.1	-176.1	179	0	0	0	0	113.6	I212 C219	C198-I212 HydrophobicContact CB-CD1 3.93Å; C198-C219 HydrophobicContact CB-CB 4.03Å; C198-C219 WeakPolarHBondContact CB-SG 3.5Å; C198-C219 VanDerWaalsContact SG-CA 3.51Å; C198-C219 WeakPolarHBondContact SG-CB 3.46Å; C198-C219 CovalentContact SG-SG 2.02Å; C198-C219 PolarHBondContact SG-SG 3.14Å
199	D	91.9	Very high	92	Very high	14 Å²	14	28.2 Å²	28.2	8%	0.075	16%	0.156	C	C	.	.	S	Bend	trans	-92.4	134.3	172.8	-62.3	-62.5	0	0	0	110.4	R157 R162 Y163 Q197 Y210 Y244	R157-D199 IonicContact CZ-OD2 2.98Å; R157-D199 IonicContact NH1-OD2 3.53Å; R157-D199 IonicContact NH2-OD1 3.56Å; R157-D199 PolarHBondContact NH2-OD1 2.88Å; R157-D199 IonicContact NH2-OD2 2.78Å; R157-D199 PolarHBondContact NH2-OD2 3.19Å; R162-D199 IonicContact NH1-OD1 2.71Å; Y163-D199 HydrophobicContact CE1-CB 4.21Å; Q197-D199 HydrophobicContact CG-CB 4.27Å; Q197-D199 PolarHBondContact NE2-OD2 3.46Å; D199-Y210 WeakPolarHBondContact O-CB 3.15Å; D199-Y244 PolarHBondContact O-OH 3.02Å
200	A	92.9	Very high	92.2	Very high	5 Å²	5	28.4 Å²	28.4	4%	0.041	16%	0.156	C	C	.	.			trans	-79.5	132.7	-176.5	0	0	0	0	0	111.5	Y163 V208 Y210 Y232 F241 D242	Y163-A200 HydrophobicContact CE1-CB 4.36Å; Y163-A200 VanDerWaalsContact CE1-O 3.27Å; Y163-A200 WeakPolarHBondContact CE1-O 2.96Å; Y163-A200 PolarHBondContact OH-N 3.43Å; A200-V208 HydrophobicContact CB-CG1 3.87Å; A200-Y210 HydrophobicContact CB-CD1 4.06Å; A200-Y210 HydrophobicContact CB-CE1 4.44Å; A200-Y232 HydrophobicContact CB-CD2 4.43Å; A200-Y232 HydrophobicContact CB-CE2 3.93Å; A200-F241 HydrophobicContact CB-CD1 4.19Å; A200-D242 PolarHBondContact O-N 2.69Å
201	G	95.7	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.9	-175.7	0	0	0	0	0	114.6	V208 R209 D242	G201-V208 WeakPolarHBondContact O-CA 3.32Å; G201-R209 PolarHBondContact N-O 2.79Å; G201-R209 PolarHBondContact O-N 3.47Å; G201-R209 VanDerWaalsContact O-N 3.13Å; G201-D242 CarbonylContact C-O 3.53Å; G201-D242 WeakPolarHBondContact CA-O 3.37Å
202	W	98	Very high	92	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	143.9	176.1	-71.4	114.2	0	0	0	113.1	F165 F167 A170 Q206 V208 M235 D236 D239 F241 D242 V243 Y244	F165-W202 PolarHBondContact O-NE1 2.78Å; F167-W202 HydrophobicContact CB-CD2 4.16Å; F167-W202 HydrophobicContact CB-CE3 4.29Å; F167-W202 HydrophobicContact CB-CH2 4.05Å; F167-W202 HydrophobicContact CB-CZ2 3.9Å; F167-W202 HydrophobicContact CB-CZ3 4.24Å; F167-W202 HydrophobicContact CD2-CB 4.46Å; F167-W202 AromaticContact CD2-CD2 3.91Å; F167-W202 HydrophobicContact CD2-CD2 3.91Å; F167-W202 AromaticContact CD2-CE3 3.72Å; F167-W202 HydrophobicContact CD2-CE3 3.72Å; F167-W202 HydrophobicContact CD2-CG 4.27Å; F167-W202 HydrophobicContact CD2-CZ3 4.24Å; F167-W202 HydrophobicContact CG-CE3 4.38Å; A170-W202 HydrophobicContact CB-CB 4.04Å; A170-W202 HydrophobicContact CB-CG 3.96Å; W202-Q206 HydrophobicContact CZ3-CG 3.96Å; W202-Q206 WeakPolarHBondContact CZ3-O 3.38Å; W202-V208 HydrophobicContact CD2-CG2 3.99Å; W202-V208 HydrophobicContact CE3-CG2 3.54Å; W202-V208 HydrophobicContact CH2-CG2 4.22Å; W202-V208 HydrophobicContact CZ3-CG2 3.67Å; W202-M235 HydrophobicContact CH2-CB 3.75Å; W202-M235 HydrophobicContact CZ3-CB 3.92Å; W202-D236 VanDerWaalsContact CH2-O 3.31Å; W202-D236 WeakPolarHBondContact CH2-O 3.43Å; W202-D239 WeakPolarHBondContact CZ2-O 3.39Å; W202-F241 HydrophobicContact CD2-CD2 4.45Å; W202-F241 AromaticContact CE2-CD2 3.79Å; W202-F241 HydrophobicContact CG-CB 4.41Å; W202-F241 HydrophobicContact CH2-CD2 4.3Å; W202-F241 AromaticContact CZ2-CD2 3.74Å; W202-F241 HydrophobicContact CZ2-CD2 3.74Å; W202-F241 HydrophobicContact CZ2-CE2 4.32Å; W202-D242 PolarHBondContact N-O 3.26Å; W202-V243 HydrophobicContact CB-CB 4.38Å; W202-V243 HydrophobicContact CB-CG2 4.12Å; W202-Y244 PolarHBondContact O-N 3.38Å; W202-Y244 VanDerWaalsContact O-N 3.16Å
203	L	97.1	Very high	92	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.			trans	-121.6	165.5	167.2	-68.5	-179.8	0	0	0	111.6	F167 V181 A182 P184 L187 D205 Q206 S207 R209 Y244	F167-L203 WeakPolarHBondContact CE2-O 3.45Å; V181-L203 VanDerWaalsContact CG1-C 3.44Å; A182-L203 HydrophobicContact CB-CD2 3.96Å; A182-L203 WeakPolarHBondContact O-CA 3.08Å; A182-L203 WeakPolarHBondContact O-CD2 3.23Å; P184-L203 HydrophobicContact CB-CD1 4.48Å; P184-L203 HydrophobicContact CG-CD1 4.29Å; L187-L203 HydrophobicContact CB-CD1 4.49Å; L187-L203 HydrophobicContact CB-CD2 4.23Å; L187-L203 HydrophobicContact CD2-CD1 3.95Å; L187-L203 HydrophobicContact CD2-CD2 4.16Å; L187-L203 HydrophobicContact CD2-CG 4.48Å; L203-D205 WeakPolarHBondContact CB-OD1 3.43Å; L203-D205 PolarHBondContact O-N 2.82Å; L203-D205 VanDerWaalsContact O-N 3.16Å; L203-Q206 PolarHBondContact O-N 2.88Å; L203-S207 PolarHBondContact N-O 3.19Å; L203-R209 HydrophobicContact CD1-CB 3.73Å; L203-R209 HydrophobicContact CD1-CG 3.65Å; L203-R209 HydrophobicContact CG-CB 4.46Å; L203-Y244 HydrophobicContact CD2-CG 4.5Å
204	A	92.5	Very high	92	Very high	48 Å²	48	26.4 Å²	26.4	40%	0.397	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.9	-173.3	0	0	0	0	0	114.6	V181 A182 T183 Q206	V181-A204 HydrophobicContact CB-CB 4.41Å; V181-A204 HydrophobicContact CG1-CB 4.46Å; A182-A204 WeakPolarHBondContact O-CB 3.38Å; A182-A204 PolarHBondContact O-N 2.93Å; T183-A204 HydrophobicContact CG2-CB 4.46Å; A204-Q206 PolarHBondContact O-N 2.7Å
205	D	84.3	Confident	91.8	Very high	61 Å²	61	26.5 Å²	26.5	33%	0.326	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	8.7	175.7	69.2	-24.4	0	0	0	113.7	P184 L203 S207 R209	P184-D205 HydrophobicContact CG-CB 4.18Å; P184-D205 WeakPolarHBondContact CG-OD2 3.26Å; L203-D205 WeakPolarHBondContact CB-OD1 3.43Å; L203-D205 PolarHBondContact O-N 2.82Å; L203-D205 VanDerWaalsContact O-N 3.16Å; D205-S207 PolarHBondContact O-N 2.95Å; D205-S207 WeakPolarHBondContact OD1-CB 3.25Å; D205-S207 PolarHBondContact OD1-N 2.77Å; D205-S207 PolarHBondContact OD1-OG 3.17Å; D205-S207 VanDerWaalsContact OD2-CB 3.24Å; D205-S207 WeakPolarHBondContact OD2-CB 3.1Å; D205-S207 PolarHBondContact OD2-OG 2.9Å; D205-R209 IonicContact OD2-CZ 3.2Å; D205-R209 IonicContact OD2-NE 3.48Å; D205-R209 IonicContact OD2-NH2 2.69Å; D205-R209 PolarHBondContact OD2-NH2 2.8Å
206	Q	87.6	Confident	91.4	Very high	34 Å²	34	27.7 Å²	27.7	16%	0.159	15%	0.15	C	C	.	.	S	Bend	trans	60.5	18.7	-171.3	-159.1	-161.9	-54.7	0	0	112.8	F167 W202 L203 A204 T234 M235	F167-Q206 HydrophobicContact CB-CG 4.5Å; F167-Q206 HydrophobicContact CD1-CB 4.43Å; F167-Q206 HydrophobicContact CD1-CG 3.85Å; F167-Q206 HydrophobicContact CD2-CB 4.39Å; F167-Q206 HydrophobicContact CD2-CG 4.09Å; F167-Q206 HydrophobicContact CE1-CB 4.08Å; F167-Q206 HydrophobicContact CE1-CG 4Å; F167-Q206 HydrophobicContact CE2-CB 4.07Å; F167-Q206 HydrophobicContact CE2-CG 4.25Å; F167-Q206 HydrophobicContact CG-CG 3.88Å; F167-Q206 HydrophobicContact CZ-CB 3.89Å; F167-Q206 HydrophobicContact CZ-CG 4.19Å; W202-Q206 HydrophobicContact CZ3-CG 3.96Å; W202-Q206 WeakPolarHBondContact CZ3-O 3.38Å; L203-Q206 PolarHBondContact O-N 2.88Å; A204-Q206 PolarHBondContact O-N 2.7Å; Q206-T234 HydrophobicContact CB-CG2 4.1Å; Q206-T234 HydrophobicContact CG-CG2 4.22Å; Q206-T234 WeakPolarHBondContact O-CA 3.48Å; Q206-M235 PolarHBondContact NE2-O 2.72Å; Q206-M235 PolarHBondContact O-N 3.07Å
207	S	85.2	Confident	90.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	161.3	166.3	75.7	0	0	0	0	111.7	L203 D205 R209 G233	L203-S207 PolarHBondContact N-O 3.19Å; D205-S207 PolarHBondContact O-N 2.95Å; D205-S207 WeakPolarHBondContact OD1-CB 3.25Å; D205-S207 PolarHBondContact OD1-N 2.77Å; D205-S207 PolarHBondContact OD1-OG 3.17Å; D205-S207 VanDerWaalsContact OD2-CB 3.24Å; D205-S207 WeakPolarHBondContact OD2-CB 3.1Å; D205-S207 PolarHBondContact OD2-OG 2.9Å; S207-R209 PolarHBondContact OG-NE 2.97Å; S207-G233 VanDerWaalsContact CA-O 3.26Å; S207-G233 WeakPolarHBondContact CA-O 3.25Å
208	V	91.3	Very high	90.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.3	170.8	179.7	0	0	0	0	108.8	A200 G201 W202 Y232 G233 M235 F241	A200-V208 HydrophobicContact CB-CG1 3.87Å; G201-V208 WeakPolarHBondContact O-CA 3.32Å; W202-V208 HydrophobicContact CD2-CG2 3.99Å; W202-V208 HydrophobicContact CE3-CG2 3.54Å; W202-V208 HydrophobicContact CH2-CG2 4.22Å; W202-V208 HydrophobicContact CZ3-CG2 3.67Å; V208-Y232 HydrophobicContact CB-CD2 4.46Å; V208-Y232 HydrophobicContact CG1-CD2 4.03Å; V208-Y232 PolarHBondContact O-N 3.26Å; V208-G233 PolarHBondContact N-O 3.41Å; V208-M235 HydrophobicContact CB-CG 3.93Å; V208-M235 HydrophobicContact CG2-CB 3.94Å; V208-M235 HydrophobicContact CG2-CG 3.54Å; V208-F241 HydrophobicContact CG1-CD1 3.67Å; V208-F241 HydrophobicContact CG1-CD2 4.41Å; V208-F241 HydrophobicContact CG1-CE1 3.87Å; V208-F241 HydrophobicContact CG1-CG 3.96Å; V208-F241 HydrophobicContact CG1-CZ 4.32Å; V208-F241 HydrophobicContact CG2-CD1 4.39Å; V208-F241 HydrophobicContact CG2-CD2 3.64Å; V208-F241 HydrophobicContact CG2-CE2 3.78Å; V208-F241 HydrophobicContact CG2-CG 3.97Å; V208-F241 HydrophobicContact CG2-CZ 4.22Å
209	R	93.9	Very high	89.9	Confident	22 Å²	22	33.8 Å²	33.8	8%	0.083	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	166.5	-173.8	-56.4	-164.8	-156.8	-164.1	7.7	111.2	L187 G201 L203 D205 S207 V229 R230 N231 Y244	L187-R209 HydrophobicContact CD2-CB 3.87Å; G201-R209 PolarHBondContact N-O 2.79Å; G201-R209 PolarHBondContact O-N 3.47Å; G201-R209 VanDerWaalsContact O-N 3.13Å; L203-R209 HydrophobicContact CD1-CB 3.73Å; L203-R209 HydrophobicContact CD1-CG 3.65Å; L203-R209 HydrophobicContact CG-CB 4.46Å; D205-R209 IonicContact OD2-CZ 3.2Å; D205-R209 IonicContact OD2-NE 3.48Å; D205-R209 IonicContact OD2-NH2 2.69Å; D205-R209 PolarHBondContact OD2-NH2 2.8Å; S207-R209 PolarHBondContact OG-NE 2.97Å; R209-V229 HydrophobicContact CB-CG1 4.09Å; R209-R230 WeakPolarHBondContact CA-O 3.32Å; R209-R230 WeakPolarHBondContact CB-O 3.09Å; R209-N231 HydrophobicContact CG-CB 4.35Å; R209-Y244 VanDerWaalsContact O-CE2 3.27Å; R209-Y244 WeakPolarHBondContact O-CE2 3.34Å
210	Y	95.1	Very high	89	Confident	6 Å²	6	38.5 Å²	38.5	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	142.9	167.1	61.3	-83.5	0	0	0	113.1	Q197 D199 A200 I212 G221 R230 Y232 Y244	Q197-Y210 WeakPolarHBondContact O-CD2 3.45Å; D199-Y210 WeakPolarHBondContact O-CB 3.15Å; A200-Y210 HydrophobicContact CB-CD1 4.06Å; A200-Y210 HydrophobicContact CB-CE1 4.44Å; Y210-I212 HydrophobicContact CD2-CD1 3.92Å; Y210-I212 HydrophobicContact CD2-CG1 3.78Å; Y210-I212 HydrophobicContact CE2-CD1 4.01Å; Y210-I212 HydrophobicContact CE2-CG1 3.77Å; Y210-G221 WeakPolarHBondContact OH-CA 3.43Å; Y210-G221 PolarHBondContact OH-N 2.9Å; Y210-R230 HydrophobicContact CD1-CB 3.78Å; Y210-R230 HydrophobicContact CD1-CG 4.39Å; Y210-R230 HydrophobicContact CD2-CB 4.23Å; Y210-R230 HydrophobicContact CD2-CG 4.02Å; Y210-R230 HydrophobicContact CE1-CB 3.6Å; Y210-R230 HydrophobicContact CE1-CG 4Å; Y210-R230 HydrophobicContact CE2-CB 4.08Å; Y210-R230 HydrophobicContact CE2-CG 3.61Å; Y210-R230 HydrophobicContact CG-CB 4.1Å; Y210-R230 HydrophobicContact CG-CG 4.41Å; Y210-R230 PolarHBondContact N-O 2.9Å; Y210-R230 PolarHBondContact O-N 3.22Å; Y210-Y232 HydrophobicContact CD1-CE2 4.25Å; Y210-Y232 AromaticContact CE1-CE2 3.66Å; Y210-Y232 HydrophobicContact CE1-CE2 3.66Å; Y210-Y232 AromaticContact CE1-CZ 3.75Å; Y210-Y232 WeakPolarHBondContact CE1-OH 3.5Å; Y210-Y232 PolarHBondContact OH-OH 3.36Å; Y210-Y244 WeakPolarHBondContact CB-OH 3.07Å
211	P	95.1	Very high	88	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.9	-174.4	33.4	-30	0	0	0	113.5	L187 Y191 Y195 E196 Q197 V229	L187-P211 HydrophobicContact CD1-CG 4.01Å; Y191-P211 HydrophobicContact CD2-CB 3.96Å; Y191-P211 HydrophobicContact CG-CB 4.44Å; Y195-P211 HydrophobicContact CD1-CG 3.73Å; Y195-P211 HydrophobicContact CE1-CG 3.99Å; E196-P211 CarbonylContact C-O 3.52Å; E196-P211 WeakPolarHBondContact CA-O 3.33Å; E196-P211 WeakPolarHBondContact CB-O 3.05Å; Q197-P211 PolarHBondContact N-O 3.49Å; P211-V229 HydrophobicContact CB-CG2 4.28Å
212	I	92.4	Very high	86.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	107.5	178.3	-62.8	-63.6	0	0	0	111	C198 Y210 P215 C219 P227 G228 R230	C198-I212 HydrophobicContact CB-CD1 3.93Å; Y210-I212 HydrophobicContact CD2-CD1 3.92Å; Y210-I212 HydrophobicContact CD2-CG1 3.78Å; Y210-I212 HydrophobicContact CE2-CD1 4.01Å; Y210-I212 HydrophobicContact CE2-CG1 3.77Å; I212-P215 HydrophobicContact CG2-CG 4.48Å; I212-C219 HydrophobicContact CD1-CB 3.76Å; I212-C219 HydrophobicContact CG1-CB 4.36Å; I212-P227 WeakPolarHBondContact O-CA 3.38Å; I212-G228 PolarHBondContact N-O 2.91Å; I212-G228 PolarHBondContact O-N 2.98Å; I212-R230 HydrophobicContact CG1-CG 4.48Å
213	Q	90.3	Very high	85.5	Confident	53 Å²	53	45.8 Å²	45.8	25%	0.248	25%	0.254	C	S	.	.	S	Bend	trans	-70.5	-53.4	171.2	-64.1	-54.4	-41.6	0	0	111.6	Y191 G194 Y195 E196 P215	Y191-Q213 PolarHBondContact O-NE2 3.26Å; G194-Q213 WeakPolarHBondContact O-CG 3.33Å; Y195-Q213 PolarHBondContact O-NE2 2.75Å; E196-Q213 HydrophobicContact CB-CB 4.32Å; E196-Q213 HydrophobicContact CB-CG 3.94Å; E196-Q213 HydrophobicContact CG-CB 4.37Å; E196-Q213 HydrophobicContact CG-CG 4.06Å; Q213-P215 WeakPolarHBondContact O-CD 3.46Å
214	V	88.8	Confident	84.2	Confident	96 Å²	96	50.7 Å²	50.7	58%	0.582	28%	0.28	S	S	*	.	S	Bend	trans	-114.3	104.5	-174.7	-176.5	0	0	0	0	108.8	R216	V214-R216 PolarHBondContact O-N 3.33Å; V214-R216 PolarHBondContact O-NH1 3.21Å
215	P	86.8	Confident	83.3	Confident	45 Å²	45	49.8 Å²	49.8	29%	0.292	28%	0.275	S	S	.	.			trans	-56.3	134.5	177.3	-27.3	37.1	0	0	0	111.9	I212 Q213 G225 P227	I212-P215 HydrophobicContact CG2-CG 4.48Å; Q213-P215 WeakPolarHBondContact O-CD 3.46Å; P215-G225 WeakPolarHBondContact CB-O 3.41Å; P215-G225 WeakPolarHBondContact CG-O 3.34Å; P215-P227 HydrophobicContact CG-CG 4.14Å
216	R	85.2	Confident	83	Confident	87 Å²	87	53.3 Å²	53.3	33%	0.328	29%	0.289	S	S	.	.			trans	-153.5	161.5	-173.4	58.2	-178.6	165.9	-94.7	17.4	110.6	E196 V214 C219	E196-R216 IonicContact OE1-NH1 2.94Å; E196-R216 IonicContact OE1-NH2 2.83Å; E196-R216 PolarHBondContact OE1-NH2 2.91Å; E196-R216 IonicContact OE2-CZ 3.84Å; E196-R216 IonicContact OE2-NH1 3.38Å; E196-R216 PolarHBondContact OE2-NH1 3Å; E196-R216 IonicContact OE2-NH2 3.71Å; E196-R216 PolarHBondContact OE2-NH2 3.04Å; V214-R216 PolarHBondContact O-N 3.33Å; V214-R216 PolarHBondContact O-NH1 3.21Å; R216-C219 HydrophobicContact CG-CB 3.81Å; R216-C219 VanDerWaalsContact CG-SG 3.55Å; R216-C219 WeakPolarHBondContact O-CB 3.28Å; R216-C219 PolarHBondContact O-N 3.45Å
217	E	81	Confident	82.8	Confident	168 Å²	168	55.2 Å²	55.2	79%	0.785	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	141	-179.9	-167.6	172.2	-179.2	0	0	111.9	C219 Y220	E217-C219 PolarHBondContact O-N 2.81Å; E217-Y220 HydrophobicContact CG-CE2 4.33Å
218	G	79.1	Confident	82.8	Confident	63 Å²	63	55.6 Å²	55.6	65%	0.649	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-23.2	-171	0	0	0	0	0	115.1
219	C	84.1	Confident	82.7	Confident	6 Å²	6	56.5 Å²	56.5	4%	0.041	31%	0.314	C	S	.	.			trans	-104.7	34.7	-171.1	-51.4	0	0	0	0	113.7	C198 I212 R216 E217	C198-C219 HydrophobicContact CB-CB 4.03Å; C198-C219 WeakPolarHBondContact CB-SG 3.5Å; C198-C219 VanDerWaalsContact SG-CA 3.51Å; C198-C219 WeakPolarHBondContact SG-CB 3.46Å; C198-C219 CovalentContact SG-SG 2.02Å; C198-C219 PolarHBondContact SG-SG 3.14Å; I212-C219 HydrophobicContact CD1-CB 3.76Å; I212-C219 HydrophobicContact CG1-CB 4.36Å; R216-C219 HydrophobicContact CG-CB 3.81Å; R216-C219 VanDerWaalsContact CG-SG 3.55Å; R216-C219 WeakPolarHBondContact O-CB 3.28Å; R216-C219 PolarHBondContact O-N 3.45Å; E217-C219 PolarHBondContact O-N 2.81Å
220	Y	73.2	Confident	82.3	Confident	113 Å²	113	55.4 Å²	55.4	44%	0.443	31%	0.31	S	S	.	.			trans	-76.3	-44.1	-171.6	-63.4	-71.4	0	0	0	113.9	E217 R230	E217-Y220 HydrophobicContact CG-CE2 4.33Å; Y220-R230 PolarHBondContact O-NE 3.28Å; Y220-R230 PolarHBondContact O-NH2 3.23Å
221	G	72.1	Confident	81.8	Confident	28 Å²	28	57.4 Å²	57.4	29%	0.289	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-141.4	-177.6	0	0	0	0	0	113.7	Y210	Y210-G221 WeakPolarHBondContact OH-CA 3.43Å; Y210-G221 PolarHBondContact OH-N 2.9Å
222	D	70.3	Confident	80.9	Confident	67 Å²	67	62.1 Å²	62.1	36%	0.358	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-24.3	176.6	52.9	-62.1	0	0	0	113.9	D224 R230 N231	D222-D224 PolarHBondContact O-N 2.81Å; D222-R230 WeakPolarHBondContact OD1-CA 3.38Å; D222-R230 VanDerWaalsContact OD1-CB 3.26Å; D222-R230 WeakPolarHBondContact OD1-CB 3.34Å; D222-R230 VanDerWaalsContact OD1-CD 3.27Å; D222-R230 WeakPolarHBondContact OD1-CD 3.42Å; D222-N231 PolarHBondContact OD1-N 3.25Å
223	M	70.9	Confident	80	Confident	64 Å²	64	63.4 Å²	63.4	32%	0.315	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	24.6	-171.2	-52.9	176.2	168.2	0	0	114.6	G225 Q226 V229 R230	M223-G225 PolarHBondContact O-N 3.5Å; M223-Q226 PolarHBondContact O-N 3.34Å; M223-V229 WeakPolarHBondContact CE-O 3.42Å; M223-R230 PolarHBondContact SD-NH1 2.61Å
224	D	69.1	Low	79.7	Confident	102 Å²	102	64.9 Å²	64.9	55%	0.545	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.4	35.5	168.9	-80.7	-40.3	0	0	0	116.4	D222 R1112	D222-D224 PolarHBondContact O-N 2.81Å; D224-R1112 IonicContact OD1-CZ 2.91Å; D224-R1112 IonicContact OD1-NH2 3.78Å; D224-R1112 PolarHBondContact OD1-NH2 2.71Å; D224-R1112 IonicContact OD2-CZ 2.66Å; D224-R1112 IonicContact OD2-NH1 2.85Å; D224-R1112 PolarHBondContact OD2-NH1 2.68Å; D224-R1112 IonicContact OD2-NH2 3.12Å; D224-R1112 PolarHBondContact OD2-NH2 3.17Å
225	G	74.4	Confident	79.5	Confident	29 Å²	29	62.9 Å²	62.9	30%	0.299	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	16.8	176.6	0	0	0	0	0	117.3	P215 M223	P215-G225 WeakPolarHBondContact CB-O 3.41Å; P215-G225 WeakPolarHBondContact CG-O 3.34Å; M223-G225 PolarHBondContact O-N 3.5Å
226	Q	77.4	Confident	79.3	Confident	135 Å²	135	65.1 Å²	65.1	63%	0.631	36%	0.36	S	S	*	.			trans	-96.6	157.8	173	-57.3	-176.4	16.8	0	0	112.3	M223 R230	M223-Q226 PolarHBondContact O-N 3.34Å; Q226-R230 PolarHBondContact O-NH1 3.07Å; Q226-R230 PolarHBondContact O-NH2 3.4Å
227	P	82.4	Confident	79.4	Confident	75 Å²	75	63.6 Å²	63.6	49%	0.487	36%	0.361	S	S	.	.	S	Bend	trans	-60.6	148.7	169.9	-22.3	34.5	0	0	0	111.8	I212 P215	I212-P227 WeakPolarHBondContact O-CA 3.38Å; P215-P227 HydrophobicContact CG-CG 4.14Å
228	G	86.6	Confident	79.8	Confident	8 Å²	8	61.7 Å²	61.7	8%	0.082	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.6	175.5	174.2	0	0	0	0	0	115.1	Y191 I212 R230	Y191-G228 WeakPolarHBondContact OH-CA 3.31Å; Y191-G228 PolarHBondContact OH-N 3.09Å; I212-G228 PolarHBondContact N-O 2.91Å; I212-G228 PolarHBondContact O-N 2.98Å; G228-R230 PolarHBondContact O-NH1 3.16Å
229	V	89	Confident	80.3	Confident	19 Å²	19	61 Å²	61	12%	0.115	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	112.2	168.8	-177	0	0	0	0	109.1	L187 L188 Y191 R209 P211 M223	L187-V229 HydrophobicContact CD2-CG1 3.79Å; L187-V229 HydrophobicContact CG-CG1 4.41Å; L188-V229 HydrophobicContact CD1-CG2 3.89Å; Y191-V229 HydrophobicContact CD1-CG2 4.08Å; Y191-V229 HydrophobicContact CD2-CG2 4.13Å; Y191-V229 HydrophobicContact CG-CG2 3.67Å; R209-V229 HydrophobicContact CB-CG1 4.09Å; P211-V229 HydrophobicContact CB-CG2 4.28Å; M223-V229 WeakPolarHBondContact CE-O 3.42Å
230	R	85.1	Confident	80.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	146.1	176.4	-59.9	-53.9	-170.7	-98.9	-10.8	111.3	R209 Y210 I212 Y220 D222 M223 Q226 G228	R209-R230 WeakPolarHBondContact CA-O 3.32Å; R209-R230 WeakPolarHBondContact CB-O 3.09Å; Y210-R230 HydrophobicContact CD1-CB 3.78Å; Y210-R230 HydrophobicContact CD1-CG 4.39Å; Y210-R230 HydrophobicContact CD2-CB 4.23Å; Y210-R230 HydrophobicContact CD2-CG 4.02Å; Y210-R230 HydrophobicContact CE1-CB 3.6Å; Y210-R230 HydrophobicContact CE1-CG 4Å; Y210-R230 HydrophobicContact CE2-CB 4.08Å; Y210-R230 HydrophobicContact CE2-CG 3.61Å; Y210-R230 HydrophobicContact CG-CB 4.1Å; Y210-R230 HydrophobicContact CG-CG 4.41Å; Y210-R230 PolarHBondContact N-O 2.9Å; Y210-R230 PolarHBondContact O-N 3.22Å; I212-R230 HydrophobicContact CG1-CG 4.48Å; Y220-R230 PolarHBondContact O-NE 3.28Å; Y220-R230 PolarHBondContact O-NH2 3.23Å; D222-R230 WeakPolarHBondContact OD1-CA 3.38Å; D222-R230 VanDerWaalsContact OD1-CB 3.26Å; D222-R230 WeakPolarHBondContact OD1-CB 3.34Å; D222-R230 VanDerWaalsContact OD1-CD 3.27Å; D222-R230 WeakPolarHBondContact OD1-CD 3.42Å; M223-R230 PolarHBondContact SD-NH1 2.61Å; Q226-R230 PolarHBondContact O-NH1 3.07Å; Q226-R230 PolarHBondContact O-NH2 3.4Å; G228-R230 PolarHBondContact O-NH1 3.16Å
231	N	83.8	Confident	81.7	Confident	47 Å²	47	61.2 Å²	61.2	25%	0.251	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	117.2	-177	-167.1	2.1	0	0	0	111.5	R209 D222 G233	R209-N231 HydrophobicContact CG-CB 4.35Å; D222-N231 PolarHBondContact OD1-N 3.25Å; N231-G233 VanDerWaalsContact C-N 3.35Å; N231-G233 WeakPolarHBondContact OD1-CA 3.31Å; N231-G233 PolarHBondContact OD1-N 3.46Å
232	Y	76.6	Confident	82.9	Confident	100 Å²	100	59.9 Å²	59.9	39%	0.392	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-1.4	170.7	-63.5	-49.1	0	0	0	113	A200 V208 Y210	A200-Y232 HydrophobicContact CB-CD2 4.43Å; A200-Y232 HydrophobicContact CB-CE2 3.93Å; V208-Y232 HydrophobicContact CB-CD2 4.46Å; V208-Y232 HydrophobicContact CG1-CD2 4.03Å; V208-Y232 PolarHBondContact O-N 3.26Å; Y210-Y232 HydrophobicContact CD1-CE2 4.25Å; Y210-Y232 AromaticContact CE1-CE2 3.66Å; Y210-Y232 HydrophobicContact CE1-CE2 3.66Å; Y210-Y232 AromaticContact CE1-CZ 3.75Å; Y210-Y232 WeakPolarHBondContact CE1-OH 3.5Å; Y210-Y232 PolarHBondContact OH-OH 3.36Å
233	G	73.5	Confident	84.2	Confident	27 Å²	27	56.7 Å²	56.7	28%	0.278	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.7	-169.6	-174.6	0	0	0	0	0	112.4	S207 V208 N231 M235	S207-G233 VanDerWaalsContact CA-O 3.26Å; S207-G233 WeakPolarHBondContact CA-O 3.25Å; V208-G233 PolarHBondContact N-O 3.41Å; N231-G233 VanDerWaalsContact C-N 3.35Å; N231-G233 WeakPolarHBondContact OD1-CA 3.31Å; N231-G233 PolarHBondContact OD1-N 3.46Å; G233-M235 PolarHBondContact O-N 2.92Å
234	T	83.8	Confident	85.5	Confident	84 Å²	84	53.6 Å²	53.6	52%	0.515	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	115.8	175.2	-46.7	0	0	0	0	110.7	Q206	Q206-T234 HydrophobicContact CB-CG2 4.1Å; Q206-T234 HydrophobicContact CG-CG2 4.22Å; Q206-T234 WeakPolarHBondContact O-CA 3.48Å
235	M	84.6	Confident	86.9	Confident	53 Å²	53	48.8 Å²	48.8	26%	0.261	27%	0.273	S	S	.	.			trans	-93.2	170.2	179.9	-65.3	-58.2	-58.9	0	0	111.8	W202 Q206 V208 G233 D239 F241	W202-M235 HydrophobicContact CH2-CB 3.75Å; W202-M235 HydrophobicContact CZ3-CB 3.92Å; Q206-M235 PolarHBondContact NE2-O 2.72Å; Q206-M235 PolarHBondContact O-N 3.07Å; V208-M235 HydrophobicContact CB-CG 3.93Å; V208-M235 HydrophobicContact CG2-CB 3.94Å; V208-M235 HydrophobicContact CG2-CG 3.54Å; G233-M235 PolarHBondContact O-N 2.92Å; M235-D239 WeakPolarHBondContact CE-OD2 3.29Å; M235-F241 HydrophobicContact CB-CE2 4.09Å; M235-F241 HydrophobicContact CE-CE2 4.41Å; M235-F241 HydrophobicContact CE-CZ 4.15Å; M235-F241 HydrophobicContact CG-CE2 4.07Å; M235-F241 HydrophobicContact CG-CZ 4.22Å
236	D	82.4	Confident	88	Confident	92 Å²	92	47.9 Å²	47.9	49%	0.492	26%	0.26	S	S	.	.			trans	-66.7	130.6	175.9	-165.1	-55.7	0	0	0	110	W202 D238 D239	W202-D236 VanDerWaalsContact CH2-O 3.31Å; W202-D236 WeakPolarHBondContact CH2-O 3.43Å; D236-D238 PolarHBondContact O-N 3.4Å; D236-D238 PolarHBondContact OD1-N 3.14Å; D236-D238 VanDerWaalsContact OD1-N 3.15Å; D236-D239 HydrophobicContact CB-CB 4.4Å; D236-D239 WeakPolarHBondContact O-CB 3.47Å; D236-D239 PolarHBondContact O-N 3.26Å
237	P	87	Confident	88.9	Confident	55 Å²	55	42.1 Å²	42.1	36%	0.357	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-26.5	-178.6	-25.8	32.8	0	0	0	115	S166 F167	S166-P237 WeakPolarHBondContact CB-O 3.37Å; F167-P237 HydrophobicContact CB-CB 4.39Å; F167-P237 PolarHBondContact N-O 2.84Å
238	D	90.1	Very high	89.4	Confident	128 Å²	128	43 Å²	43	68%	0.684	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-6	-179.1	-69.5	-29.5	0	0	0	113.9	D236	D236-D238 PolarHBondContact O-N 3.4Å; D236-D238 PolarHBondContact OD1-N 3.14Å; D236-D238 VanDerWaalsContact OD1-N 3.15Å
239	D	90.4	Very high	89.5	Confident	50 Å²	50	45.9 Å²	45.9	27%	0.267	24%	0.243	S	C	.	.	S	Bend	trans	-64.8	153.3	166	-80.9	-35.6	0	0	0	109.7	S166 W202 M235 D236 F241	S166-D239 WeakPolarHBondContact CA-O 3.26Å; W202-D239 WeakPolarHBondContact CZ2-O 3.39Å; M235-D239 WeakPolarHBondContact CE-OD2 3.29Å; D236-D239 HydrophobicContact CB-CB 4.4Å; D236-D239 WeakPolarHBondContact O-CB 3.47Å; D236-D239 PolarHBondContact O-N 3.26Å; D239-F241 HydrophobicContact CB-CD2 4.39Å; D239-F241 HydrophobicContact CB-CE2 3.73Å
240	L	92.5	Very high	89.7	Confident	91 Å²	91	45.9 Å²	45.9	48%	0.476	24%	0.242	S	C	.	.			trans	-108.5	129.1	-174.4	-54.1	179.2	0	0	0	112.3	Y163 F165	Y163-L240 VanDerWaalsContact O-CB 3.23Å; Y163-L240 WeakPolarHBondContact O-CB 3.42Å; F165-L240 WeakPolarHBondContact O-CA 3.2Å
241	F	94.7	Very high	89.9	Confident	31 Å²	31	51.5 Å²	51.5	14%	0.136	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-141.5	177.4	177.5	-65.4	-80.9	0	0	0	111.3	S164 F165 A200 W202 V208 M235 D239	S164-F241 PolarHBondContact N-O 3.01Å; F165-F241 PolarHBondContact N-O 2.82Å; F165-F241 PolarHBondContact O-N 2.96Å; A200-F241 HydrophobicContact CB-CD1 4.19Å; W202-F241 HydrophobicContact CD2-CD2 4.45Å; W202-F241 AromaticContact CE2-CD2 3.79Å; W202-F241 HydrophobicContact CG-CB 4.41Å; W202-F241 HydrophobicContact CH2-CD2 4.3Å; W202-F241 AromaticContact CZ2-CD2 3.74Å; W202-F241 HydrophobicContact CZ2-CD2 3.74Å; W202-F241 HydrophobicContact CZ2-CE2 4.32Å; V208-F241 HydrophobicContact CG1-CD1 3.67Å; V208-F241 HydrophobicContact CG1-CD2 4.41Å; V208-F241 HydrophobicContact CG1-CE1 3.87Å; V208-F241 HydrophobicContact CG1-CG 3.96Å; V208-F241 HydrophobicContact CG1-CZ 4.32Å; V208-F241 HydrophobicContact CG2-CD1 4.39Å; V208-F241 HydrophobicContact CG2-CD2 3.64Å; V208-F241 HydrophobicContact CG2-CE2 3.78Å; V208-F241 HydrophobicContact CG2-CG 3.97Å; V208-F241 HydrophobicContact CG2-CZ 4.22Å; M235-F241 HydrophobicContact CB-CE2 4.09Å; M235-F241 HydrophobicContact CE-CE2 4.41Å; M235-F241 HydrophobicContact CE-CZ 4.15Å; M235-F241 HydrophobicContact CG-CE2 4.07Å; M235-F241 HydrophobicContact CG-CZ 4.22Å; D239-F241 HydrophobicContact CB-CD2 4.39Å; D239-F241 HydrophobicContact CB-CE2 3.73Å
242	D	95.6	Very high	90.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-170.3	164.3	-69.1	-22.8	0	0	0	108.4	H155 R157 Y163 A200 G201 W202	H155-D242 IonicContact NE2-OD2 2.66Å; H155-D242 PolarHBondContact NE2-OD2 2.92Å; R157-D242 IonicContact CZ-OD2 2.68Å; R157-D242 IonicContact NE-OD1 2.69Å; R157-D242 IonicContact NE-OD2 3.11Å; R157-D242 PolarHBondContact NE-OD2 3.4Å; R157-D242 IonicContact NH2-OD2 2.62Å; R157-D242 PolarHBondContact NH2-OD2 2.71Å; Y163-D242 HydrophobicContact CD1-CB 4.24Å; Y163-D242 PolarHBondContact N-OD1 2.88Å; A200-D242 PolarHBondContact O-N 2.69Å; G201-D242 CarbonylContact C-O 3.53Å; G201-D242 WeakPolarHBondContact CA-O 3.37Å; W202-D242 PolarHBondContact N-O 3.26Å
243	V	97.8	Very high	91	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.5	178.6	62.8	0	0	0	0	112.4	Y156 F165 A170 C174 V181 W202	Y156-V243 HydrophobicContact CD1-CG1 4.05Å; Y156-V243 PolarHBondContact N-O 3.02Å; Y156-V243 PolarHBondContact O-N 2.9Å; Y156-V243 VanDerWaalsContact O-N 3.1Å; F165-V243 HydrophobicContact CD2-CB 4.46Å; F165-V243 HydrophobicContact CD2-CG1 3.99Å; F165-V243 HydrophobicContact CE2-CG1 4.03Å; A170-V243 HydrophobicContact CB-CB 3.85Å; A170-V243 HydrophobicContact CB-CG1 4.47Å; A170-V243 HydrophobicContact CB-CG2 3.84Å; C174-V243 VanDerWaalsContact SG-CG2 3.55Å; V181-V243 HydrophobicContact CG1-CG2 3.93Å; V181-V243 HydrophobicContact CG2-CG2 4.2Å; W202-V243 HydrophobicContact CB-CB 4.38Å; W202-V243 HydrophobicContact CB-CG2 4.12Å
244	Y	98.6	Very high	92.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.8	165.9	-70.1	-88	0	0	0	108.8	V153 H155 A182 L187 Y195 Q197 D199 W202 L203 R209 Y210	V153-Y244 HydrophobicContact CG1-CD1 4.19Å; H155-Y244 HydrophobicContact CB-CD1 4.17Å; H155-Y244 HydrophobicContact CB-CE1 3.84Å; H155-Y244 AromaticContact CD2-CZ 3.87Å; A182-Y244 WeakPolarHBondContact CB-O 3.47Å; A182-Y244 PolarHBondContact N-O 3.43Å; L187-Y244 HydrophobicContact CD1-CD1 3.67Å; L187-Y244 HydrophobicContact CD1-CE1 3.99Å; L187-Y244 HydrophobicContact CD1-CG 4.01Å; Y195-Y244 HydrophobicContact CE1-CD1 4.12Å; Y195-Y244 AromaticContact CE1-CE1 3.87Å; Y195-Y244 HydrophobicContact CE1-CE1 3.87Å; Q197-Y244 HydrophobicContact CB-CE1 4.21Å; Q197-Y244 WeakPolarHBondContact CB-OH 3.21Å; Q197-Y244 HydrophobicContact CG-CE1 4.29Å; Q197-Y244 WeakPolarHBondContact CG-OH 3.13Å; D199-Y244 PolarHBondContact O-OH 3.02Å; W202-Y244 PolarHBondContact O-N 3.38Å; W202-Y244 VanDerWaalsContact O-N 3.16Å; L203-Y244 HydrophobicContact CD2-CG 4.5Å; R209-Y244 VanDerWaalsContact O-CE2 3.27Å; R209-Y244 WeakPolarHBondContact O-CE2 3.34Å; Y210-Y244 WeakPolarHBondContact CB-OH 3.07Å
245	C	98.5	Very high	92.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	149.4	176.2	-59.2	0	0	0	0	110.8	V153 F154 C174 A179 Q180	V153-C245 CarbonylContact C-O 3.48Å; V153-C245 WeakPolarHBondContact CA-O 3.45Å; F154-C245 WeakPolarHBondContact CD1-O 3.5Å; F154-C245 HydrophobicContact CD2-CB 4.33Å; F154-C245 HydrophobicContact CE1-CB 4Å; F154-C245 HydrophobicContact CE2-CB 3.74Å; F154-C245 HydrophobicContact CZ-CB 3.55Å; F154-C245 PolarHBondContact N-O 3.31Å; F154-C245 PolarHBondContact O-N 3.03Å; C174-C245 WeakPolarHBondContact CA-SG 3.39Å; C174-C245 HydrophobicContact CB-CB 3.88Å; C174-C245 WeakPolarHBondContact CB-SG 3.18Å; C174-C245 VanDerWaalsContact SG-CA 3.5Å; C174-C245 WeakPolarHBondContact SG-CB 3.21Å; C174-C245 CovalentContact SG-SG 2.04Å; C174-C245 PolarHBondContact SG-SG 3.05Å; A179-C245 HydrophobicContact CB-CB 3.84Å; Q180-C245 CarbonylContact O-C 3.56Å; Q180-C245 VanDerWaalsContact O-CA 3.23Å; Q180-C245 WeakPolarHBondContact O-CA 3.29Å
246	Y	98.3	Very high	92.8	Very high	11 Å²	11	48.8 Å²	48.8	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139	174.8	173.2	-105.8	0	0	0	111.1	L46 K150 V152 V153 A179 Q180 Q186 E248	L46-Y246 HydrophobicContact CB-CE2 4.07Å; K150-Y246 PolarHBondContact O-OH 3.3Å; V152-Y246 WeakPolarHBondContact O-CA 3.33Å; V152-Y246 WeakPolarHBondContact O-CD2 3.17Å; V153-Y246 HydrophobicContact CG2-CD2 3.9Å; A179-Y246 WeakPolarHBondContact CA-O 3.37Å; A179-Y246 WeakPolarHBondContact CB-O 3.48Å; Q180-Y246 PolarHBondContact N-O 3.44Å; Q180-Y246 PolarHBondContact O-N 3.22Å; Q186-Y246 HydrophobicContact CG-CD2 4.33Å; Q186-Y246 HydrophobicContact CG-CE2 4.4Å; Q186-Y246 VanDerWaalsContact OE1-CG 3.23Å; Y246-E248 HydrophobicContact CE1-CB 3.97Å
247	I	96.5	Very high	92.5	Very high	14 Å²	14	47 Å²	47	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.3	168.5	-176.4	173.3	0	0	0	109.4	G151 V152 F154 A179 I250 A283	G151-I247 CarbonylContact C-O 3.56Å; G151-I247 WeakPolarHBondContact CA-O 3.27Å; V152-I247 HydrophobicContact CG1-CG2 3.62Å; V152-I247 PolarHBondContact N-O 3.33Å; V152-I247 PolarHBondContact O-N 3.47Å; F154-I247 HydrophobicContact CE1-CG2 4Å; A179-I247 HydrophobicContact CB-CB 4.45Å; I247-I250 HydrophobicContact CD1-CG2 3.71Å; I247-A283 HydrophobicContact CB-CB 4.23Å; I247-A283 HydrophobicContact CD1-CB 3.79Å; I247-A283 HydrophobicContact CG2-CB 4.16Å
248	E	91.1	Very high	91.8	Very high	92 Å²	92	48.9 Å²	48.9	43%	0.43	25%	0.252	S	S	.	.			trans	-75.9	-55.3	-178.8	-173.3	-162.7	147.3	0	0	112.2	P45 K150 G151 Y246	P45-E248 HydrophobicContact CG-CG 4.49Å; K150-E248 HydrophobicContact CB-CG 4.26Å; G151-E248 WeakPolarHBondContact CA-O 3.32Å; G151-E248 PolarHBondContact N-O 3Å; Y246-E248 HydrophobicContact CE1-CB 3.97Å
249	Q	90.2	Very high	91.3	Very high	69 Å²	69	43.8 Å²	43.8	32%	0.322	23%	0.225	S	C	.	.			trans	-159.8	141.1	-179.3	176.6	164.1	-2	0	0	112	K150	K150-Q249 VanDerWaalsContact NZ-CD 3.28Å
250	I	92	Very high	90.6	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.097	25%	0.254	C	S	.	.			trans	-83.1	138.5	167.2	56.9	-179.6	0	0	0	113.2	I247 V254 Q284 S287 A288 F348	I247-I250 HydrophobicContact CD1-CG2 3.71Å; I250-V254 HydrophobicContact CD1-CG2 4.15Å; I250-Q284 HydrophobicContact CG2-CB 4.11Å; I250-Q284 HydrophobicContact CG2-CG 3.75Å; I250-S287 PolarHBondContact N-OG 3.25Å; I250-A288 HydrophobicContact CD1-CB 4.4Å; I250-F348 HydrophobicContact CB-CE2 4.25Å; I250-F348 HydrophobicContact CD1-CE2 4.31Å
251	H	88.9	Confident	89.9	Confident	118 Å²	118	51.5 Å²	51.5	55%	0.546	27%	0.269	S	S	.	.	S	Bend	trans	-96.5	85.7	167	-62.9	120.9	0	0	0	109.5	F348 P351	H251-F348 WeakPolarHBondContact O-CZ 3.48Å; H251-P351 WeakPolarHBondContact O-CD 3.34Å
252	G	90.7	Very high	89.7	Confident	33 Å²	33	53.8 Å²	53.8	34%	0.34	28%	0.28	S	S	.	.	S	Bend	trans	156	-157.2	-179	0	0	0	0	0	111.6	K349	G252-K349 WeakPolarHBondContact CA-O 3.5Å
253	K	94.2	Very high	89.6	Confident	146 Å²	146	54.9 Å²	54.9	64%	0.635	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.1	174.4	-179.8	171.2	-179.2	-177.1	0	111	K349	K253-K349 PolarHBondContact N-O 3.38Å; K253-K349 PolarHBondContact O-N 3.05Å
254	V	96.1	Very high	89.6	Confident	9 Å²	9	55.7 Å²	55.7	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.7	159.3	179.9	0	0	0	0	108.3	I250 A280 Q284 L285 A288 L293 Y346 C347 F348	I250-V254 HydrophobicContact CD1-CG2 4.15Å; V254-A280 HydrophobicContact CG1-CB 4.15Å; V254-A280 HydrophobicContact CG2-CB 4.16Å; V254-Q284 HydrophobicContact CG2-CB 3.9Å; V254-Q284 WeakPolarHBondContact CG2-O 3.45Å; V254-L285 HydrophobicContact CG1-CD1 4.31Å; V254-A288 HydrophobicContact CB-CB 3.75Å; V254-A288 HydrophobicContact CG1-CB 4.37Å; V254-A288 HydrophobicContact CG2-CB 3.87Å; V254-L293 HydrophobicContact CB-CD2 4.47Å; V254-L293 HydrophobicContact CG1-CD2 3.96Å; V254-Y346 HydrophobicContact CG1-CD1 4.32Å; V254-C347 CarbonylContact C-O 3.55Å; V254-C347 WeakPolarHBondContact CA-O 3.21Å; V254-F348 HydrophobicContact CG2-CD2 3.91Å
255	F	93	Very high	89.4	Confident	41 Å²	41	57.4 Å²	57.4	18%	0.18	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.6	172.9	66.5	-76.4	0	0	0	110.3	D257 A275 A277 C347 K349	F255-D257 VanDerWaalsContact CE2-OD2 3.29Å; F255-D257 WeakPolarHBondContact CE2-OD2 3.24Å; F255-A275 HydrophobicContact CZ-CB 4.29Å; F255-A277 HydrophobicContact CE1-CB 3.72Å; F255-A277 HydrophobicContact CZ-CB 3.74Å; F255-C347 HydrophobicContact CD1-CB 4Å; F255-C347 WeakPolarHBondContact CD1-O 3.48Å; F255-C347 HydrophobicContact CD2-CB 4.33Å; F255-C347 HydrophobicContact CE1-CB 3.4Å; F255-C347 HydrophobicContact CE2-CB 3.8Å; F255-C347 HydrophobicContact CG-CB 4.43Å; F255-C347 HydrophobicContact CZ-CB 3.31Å; F255-C347 PolarHBondContact N-O 2.76Å; F255-C347 PolarHBondContact O-N 2.73Å; F255-K349 HydrophobicContact CD1-CB 4.38Å; F255-K349 HydrophobicContact CE1-CB 3.94Å
256	Y	90.2	Very high	89.3	Confident	26 Å²	26	62.2 Å²	62.2	10%	0.102	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.1	-178.7	158.4	-83.7	0	0	0	106.1	P258 R295 S297 D344 Y346	Y256-P258 HydrophobicContact CE1-CB 4Å; Y256-P258 HydrophobicContact CE1-CG 4.43Å; Y256-R295 HydrophobicContact CD1-CG 4.49Å; Y256-R295 HydrophobicContact CG-CG 4.36Å; Y256-S297 PolarHBondContact OH-OG 3.3Å; Y256-D344 HydrophobicContact CE2-CB 3.85Å; Y256-D344 WeakPolarHBondContact CE2-OD2 3.47Å; Y256-D344 PolarHBondContact OH-OD2 3.1Å; Y256-Y346 HydrophobicContact CD2-CD1 4.4Å; Y256-Y346 AromaticContact CD2-CE1 3.86Å; Y256-Y346 HydrophobicContact CD2-CE1 3.86Å; Y256-Y346 HydrophobicContact CD2-CE2 4.49Å; Y256-Y346 AromaticContact CD2-CZ 3.89Å; Y256-Y346 HydrophobicContact CG-CE1 4.22Å
257	D	76.6	Confident	89.2	Confident	55 Å²	55	66.4 Å²	66.4	29%	0.294	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.8	174	-69.4	-30.2	0	0	0	108.3	F255 V259 Y271	F255-D257 VanDerWaalsContact CE2-OD2 3.29Å; F255-D257 WeakPolarHBondContact CE2-OD2 3.24Å; D257-V259 PolarHBondContact O-N 2.83Å; D257-V259 VanDerWaalsContact O-N 3.11Å; D257-Y271 HydrophobicContact CB-CE1 4.13Å; D257-Y271 WeakPolarHBondContact CB-OH 3.46Å
258	P	71.5	Confident	89.1	Confident	93 Å²	93	65.7 Å²	65.7	60%	0.604	34%	0.341	S	S	*	.			trans	-74.6	102.2	-179.4	29.1	-33	0	0	0	110.4	Y256 P260	Y256-P258 HydrophobicContact CE1-CB 4Å; Y256-P258 HydrophobicContact CE1-CG 4.43Å; P258-P260 WeakPolarHBondContact O-CD 3.33Å
259	V	80.1	Confident	89.4	Confident	21 Å²	21	66.6 Å²	66.6	13%	0.127	35%	0.345	C	S	.	.			trans	-84.7	117.5	-178.2	-175.1	0	0	0	0	110.4	D257 Q261 Q262 L263 Y271 V345	D257-V259 PolarHBondContact O-N 2.83Å; D257-V259 VanDerWaalsContact O-N 3.11Å; V259-Q261 PolarHBondContact O-N 2.98Å; V259-Q262 PolarHBondContact O-N 3.24Å; V259-L263 HydrophobicContact CB-CD1 4.5Å; V259-L263 HydrophobicContact CB-CG 4.35Å; V259-L263 HydrophobicContact CG1-CD1 4.22Å; V259-L263 HydrophobicContact CG1-CD2 3.92Å; V259-L263 HydrophobicContact CG1-CG 3.88Å; V259-L263 HydrophobicContact CG2-CD1 4.03Å; V259-L263 HydrophobicContact CG2-CG 4.42Å; V259-Y271 HydrophobicContact CG2-CD2 4.5Å; V259-Y271 HydrophobicContact CG2-CE1 4.36Å; V259-Y271 HydrophobicContact CG2-CE2 4.07Å; V259-V345 HydrophobicContact CG2-CG1 4.24Å
260	P	74.5	Confident	89.6	Confident	133 Å²	133	67.1 Å²	67.1	86%	0.864	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.2	-166.6	-27.6	36.2	0	0	0	117.8	P258	P258-P260 WeakPolarHBondContact O-CD 3.33Å
261	Q	78.9	Confident	89.8	Confident	171 Å²	171	70.1 Å²	70.1	80%	0.799	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-1.9	177.6	-69.1	-175.8	-20.6	0	0	113	V259	V259-Q261 PolarHBondContact O-N 2.98Å
262	Q	89.8	Confident	90.1	Very high	79 Å²	79	64.5 Å²	64.5	37%	0.369	34%	0.341	S	S	.	.			trans	57.5	173.5	-164.6	-48.5	-162.9	-84.5	0	0	111.6	V259 L342 D344	V259-Q262 PolarHBondContact O-N 3.24Å; Q262-L342 HydrophobicContact CB-CB 3.97Å; Q262-D344 WeakPolarHBondContact CG-OD1 3.37Å; Q262-D344 PolarHBondContact NE2-OD1 2.83Å
263	L	94.3	Very high	90.3	Very high	22 Å²	22	65.1 Å²	65.1	12%	0.115	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-137.3	146.5	-171.4	-61.7	176.7	0	0	0	111.6	V259 E267 A268 Y271 W300 L342 H343 V345	V259-L263 HydrophobicContact CB-CD1 4.5Å; V259-L263 HydrophobicContact CB-CG 4.35Å; V259-L263 HydrophobicContact CG1-CD1 4.22Å; V259-L263 HydrophobicContact CG1-CD2 3.92Å; V259-L263 HydrophobicContact CG1-CG 3.88Å; V259-L263 HydrophobicContact CG2-CD1 4.03Å; V259-L263 HydrophobicContact CG2-CG 4.42Å; L263-E267 HydrophobicContact CB-CB 4.08Å; L263-E267 HydrophobicContact CD2-CB 4.03Å; L263-A268 HydrophobicContact CB-CB 4.13Å; L263-A268 HydrophobicContact CD1-CB 4.32Å; L263-Y271 HydrophobicContact CD1-CD2 4.13Å; L263-Y271 HydrophobicContact CD1-CG 3.9Å; L263-W300 PolarHBondContact O-NE1 2.89Å; L263-L342 WeakPolarHBondContact O-CA 3.48Å; L263-H343 PolarHBondContact N-O 2.9Å; L263-H343 PolarHBondContact O-N 3.11Å; L263-V345 HydrophobicContact CD1-CG1 4.4Å
264	S	96.4	Very high	90.3	Very high	18 Å²	18	62.6 Å²	62.6	13%	0.126	35%	0.354	C	S	.	.			trans	-69.8	167.9	161.1	65	0	0	0	0	111.1	D266 E267 A268 P339	S264-D266 PolarHBondContact O-N 2.76Å; S264-E267 VanDerWaalsContact CB-OE2 3.3Å; S264-E267 WeakPolarHBondContact CB-OE2 3.36Å; S264-E267 PolarHBondContact N-OE2 2.8Å; S264-E267 PolarHBondContact O-N 3.36Å; S264-E267 VanDerWaalsContact OG-CG 3.24Å; S264-E267 WeakPolarHBondContact OG-CG 3.41Å; S264-E267 PolarHBondContact OG-OE2 3.14Å; S264-A268 VanDerWaalsContact O-CB 3.28Å; S264-A268 WeakPolarHBondContact O-CB 3.37Å; S264-A268 PolarHBondContact O-N 3.28Å; S264-P339 WeakPolarHBondContact CB-O 3.5Å
265	F	95.9	Very high	90.1	Very high	35 Å²	35	64 Å²	64	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-59.1	-45.5	-177.2	177.6	-100.4	0	0	0	113	A268 Q269 L279 W300 L301 P339	F265-A268 PolarHBondContact O-N 3.07Å; F265-Q269 PolarHBondContact O-N 3.4Å; F265-L279 HydrophobicContact CD2-CD1 4.37Å; F265-L279 HydrophobicContact CE2-CD1 3.78Å; F265-L279 HydrophobicContact CZ-CD1 4.14Å; F265-W300 HydrophobicContact CB-CD2 4.11Å; F265-W300 HydrophobicContact CB-CE3 4.25Å; F265-W300 HydrophobicContact CB-CH2 4.25Å; F265-W300 HydrophobicContact CB-CZ2 4.1Å; F265-W300 HydrophobicContact CB-CZ3 4.32Å; F265-W300 HydrophobicContact CD2-CD2 4.01Å; F265-W300 AromaticContact CD2-CE3 3.67Å; F265-W300 HydrophobicContact CD2-CE3 3.67Å; F265-W300 HydrophobicContact CD2-CG 4.42Å; F265-W300 HydrophobicContact CD2-CZ3 4.16Å; F265-W300 HydrophobicContact CG-CE3 4.42Å; F265-L301 WeakPolarHBondContact CE2-O 2.92Å; F265-P339 HydrophobicContact CB-CB 3.98Å; F265-P339 PolarHBondContact N-O 2.99Å
266	D	96.3	Very high	90.1	Very high	102 Å²	102	64.4 Å²	64.4	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-68.9	-35.8	-179.1	-61.6	-36.8	0	0	0	111.7	S264 S270	S264-D266 PolarHBondContact O-N 2.76Å; D266-S270 WeakPolarHBondContact O-CB 3.21Å; D266-S270 PolarHBondContact O-N 3.19Å; D266-S270 PolarHBondContact O-OG 3.35Å
267	E	95.8	Very high	90.3	Very high	98 Å²	98	63.9 Å²	63.9	46%	0.458	38%	0.383	S	S	.	.	H	α-helix	trans	-69.4	-39.1	173.1	-67.7	170.7	130.3	0	0	111.7	L263 S264 S270 Y271	L263-E267 HydrophobicContact CB-CB 4.08Å; L263-E267 HydrophobicContact CD2-CB 4.03Å; S264-E267 VanDerWaalsContact CB-OE2 3.3Å; S264-E267 WeakPolarHBondContact CB-OE2 3.36Å; S264-E267 PolarHBondContact N-OE2 2.8Å; S264-E267 PolarHBondContact O-N 3.36Å; S264-E267 VanDerWaalsContact OG-CG 3.24Å; S264-E267 WeakPolarHBondContact OG-CG 3.41Å; S264-E267 PolarHBondContact OG-OE2 3.14Å; E267-S270 PolarHBondContact O-N 3.3Å; E267-Y271 VanDerWaalsContact O-CB 3.28Å; E267-Y271 WeakPolarHBondContact O-CB 3.34Å; E267-Y271 PolarHBondContact O-N 3.21Å
268	A	95.5	Very high	91.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-65.1	-41.3	175.9	0	0	0	0	0	111.9	L263 S264 F265 Y271 C272 L279 W300 V345	L263-A268 HydrophobicContact CB-CB 4.13Å; L263-A268 HydrophobicContact CD1-CB 4.32Å; S264-A268 VanDerWaalsContact O-CB 3.28Å; S264-A268 WeakPolarHBondContact O-CB 3.37Å; S264-A268 PolarHBondContact O-N 3.28Å; F265-A268 PolarHBondContact O-N 3.07Å; A268-Y271 PolarHBondContact O-N 3.39Å; A268-C272 PolarHBondContact O-N 2.97Å; A268-C272 VanDerWaalsContact O-N 3.11Å; A268-L279 HydrophobicContact CB-CD2 4.15Å; A268-W300 HydrophobicContact CB-CB 4.05Å; A268-W300 HydrophobicContact CB-CG 4.16Å; A268-V345 HydrophobicContact CB-CB 4.14Å; A268-V345 HydrophobicContact CB-CG2 3.84Å
269	Q	95.9	Very high	92.4	Very high	110 Å²	110	64.3 Å²	64.3	51%	0.514	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-46.4	171.7	-170.1	-179.4	93.8	0	0	111.2	F265 Y271 G273 L279	F265-Q269 PolarHBondContact O-N 3.4Å; Q269-Y271 VanDerWaalsContact C-N 3.34Å; Q269-Y271 PolarHBondContact O-N 3.15Å; Q269-G273 PolarHBondContact O-N 3.14Å; Q269-L279 HydrophobicContact CB-CD1 3.91Å; Q269-L279 HydrophobicContact CB-CG 4.37Å; Q269-L279 HydrophobicContact CG-CD1 4.27Å
270	S	95.4	Very high	93.2	Very high	80 Å²	80	63.3 Å²	63.3	56%	0.559	37%	0.37	S	S	*	.	H	α-helix	trans	-62.5	-38.8	177.2	-60.1	0	0	0	0	112.5	D266 E267 G273 A274	D266-S270 WeakPolarHBondContact O-CB 3.21Å; D266-S270 PolarHBondContact O-N 3.19Å; D266-S270 PolarHBondContact O-OG 3.35Å; E267-S270 PolarHBondContact O-N 3.3Å; S270-G273 PolarHBondContact O-N 2.86Å; S270-A274 WeakPolarHBondContact O-CB 3.39Å; S270-A274 PolarHBondContact O-N 2.7Å
271	Y	95.3	Very high	94.3	Very high	82 Å²	82	57.8 Å²	57.8	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-51	178.1	-177.9	-88	0	0	0	111.9	D257 V259 L263 E267 A268 Q269 G273 A274 A275 V345	D257-Y271 HydrophobicContact CB-CE1 4.13Å; D257-Y271 WeakPolarHBondContact CB-OH 3.46Å; V259-Y271 HydrophobicContact CG2-CD2 4.5Å; V259-Y271 HydrophobicContact CG2-CE1 4.36Å; V259-Y271 HydrophobicContact CG2-CE2 4.07Å; L263-Y271 HydrophobicContact CD1-CD2 4.13Å; L263-Y271 HydrophobicContact CD1-CG 3.9Å; E267-Y271 VanDerWaalsContact O-CB 3.28Å; E267-Y271 WeakPolarHBondContact O-CB 3.34Å; E267-Y271 PolarHBondContact O-N 3.21Å; A268-Y271 PolarHBondContact O-N 3.39Å; Q269-Y271 VanDerWaalsContact C-N 3.34Å; Q269-Y271 PolarHBondContact O-N 3.15Å; Y271-G273 VanDerWaalsContact C-N 3.29Å; Y271-G273 PolarHBondContact O-N 3.14Å; Y271-A274 PolarHBondContact O-N 3.42Å; Y271-A275 PolarHBondContact O-N 3Å; Y271-A275 VanDerWaalsContact O-N 3.08Å; Y271-V345 HydrophobicContact CD1-CG1 3.75Å; Y271-V345 HydrophobicContact CE1-CG1 4.03Å
272	C	95.3	Very high	95.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-40.6	175.3	-61.8	0	0	0	0	111.4	A268 A274 A275 G276 A277 Q278 V345 C347	A268-C272 PolarHBondContact O-N 2.97Å; A268-C272 VanDerWaalsContact O-N 3.11Å; C272-A274 PolarHBondContact O-N 3.24Å; C272-A275 PolarHBondContact O-N 2.75Å; C272-A275 VanDerWaalsContact O-N 3.15Å; C272-G276 PolarHBondContact O-N 3.4Å; C272-A277 CarbonylContact C-O 3.6Å; C272-A277 VanDerWaalsContact C-O 3.31Å; C272-A277 HydrophobicContact CB-CB 4.38Å; C272-A277 CarbonylContact O-C 3.6Å; C272-A277 WeakPolarHBondContact O-CA 3.23Å; C272-A277 WeakPolarHBondContact O-CB 3.26Å; C272-A277 PolarHBondContact O-N 2.8Å; C272-Q278 VanDerWaalsContact CB-C 3.44Å; C272-Q278 WeakPolarHBondContact CB-O 3.35Å; C272-V345 WeakPolarHBondContact SG-CG2 3.29Å; C272-C347 WeakPolarHBondContact CA-SG 3.1Å; C272-C347 HydrophobicContact CB-CB 3.85Å; C272-C347 WeakPolarHBondContact CB-SG 3.23Å; C272-C347 VanDerWaalsContact SG-CA 3.51Å; C272-C347 WeakPolarHBondContact SG-CB 3.4Å; C272-C347 CovalentContact SG-SG 2.04Å; C272-C347 PolarHBondContact SG-SG 2.86Å
273	G	95.1	Very high	95.5	Very high	46 Å²	46	45.9 Å²	45.9	47%	0.474	28%	0.278	S	S	.	.	H	α-helix	trans	-56.8	-47.9	175.3	0	0	0	0	0	112.7	Q269 S270 Y271 A275 G276 A277	Q269-G273 PolarHBondContact O-N 3.14Å; S270-G273 PolarHBondContact O-N 2.86Å; Y271-G273 VanDerWaalsContact C-N 3.29Å; Y271-G273 PolarHBondContact O-N 3.14Å; G273-A275 VanDerWaalsContact C-N 3.28Å; G273-A275 PolarHBondContact O-N 2.82Å; G273-G276 PolarHBondContact O-N 2.97Å; G273-A277 WeakPolarHBondContact CA-O 3.34Å; G273-A277 PolarHBondContact N-O 3.24Å
274	A	94.1	Very high	95.7	Very high	93 Å²	93	46.4 Å²	46.4	77%	0.769	28%	0.28	S	S	*	.	H	α-helix	trans	-62.3	-32.1	176.4	0	0	0	0	0	113.1	S270 Y271 C272 G276	S270-A274 WeakPolarHBondContact O-CB 3.39Å; S270-A274 PolarHBondContact O-N 2.7Å; Y271-A274 PolarHBondContact O-N 3.42Å; C272-A274 PolarHBondContact O-N 3.24Å; A274-G276 PolarHBondContact O-N 3.35Å
275	A	91.3	Very high	95.7	Very high	38 Å²	38	45.6 Å²	45.6	31%	0.314	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-0.3	173	0	0	0	0	0	114	F255 Y271 C272 G273 K349	F255-A275 HydrophobicContact CZ-CB 4.29Å; Y271-A275 PolarHBondContact O-N 3Å; Y271-A275 VanDerWaalsContact O-N 3.08Å; C272-A275 PolarHBondContact O-N 2.75Å; C272-A275 VanDerWaalsContact O-N 3.15Å; G273-A275 VanDerWaalsContact C-N 3.28Å; G273-A275 PolarHBondContact O-N 2.82Å; A275-K349 PolarHBondContact O-NZ 3.41Å
276	G	93.2	Very high	95.8	Very high	51 Å²	51	45 Å²	45	53%	0.526	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	44.6	-172.3	0	0	0	0	0	111.7	C272 G273 A274 K349	C272-G276 PolarHBondContact O-N 3.4Å; G273-G276 PolarHBondContact O-N 2.97Å; A274-G276 PolarHBondContact O-N 3.35Å; G276-K349 WeakPolarHBondContact O-CE 3.47Å; G276-K349 PolarHBondContact O-NZ 3.11Å
277	A	95.1	Very high	95.8	Very high	14 Å²	14	40.2 Å²	40.2	12%	0.116	25%	0.246	C	C	.	.			trans	-140.3	-177.8	-179.2	0	0	0	0	0	109.3	F255 C272 G273 C347 F348 K349	F255-A277 HydrophobicContact CE1-CB 3.72Å; F255-A277 HydrophobicContact CZ-CB 3.74Å; C272-A277 CarbonylContact C-O 3.6Å; C272-A277 VanDerWaalsContact C-O 3.31Å; C272-A277 HydrophobicContact CB-CB 4.38Å; C272-A277 CarbonylContact O-C 3.6Å; C272-A277 WeakPolarHBondContact O-CA 3.23Å; C272-A277 WeakPolarHBondContact O-CB 3.26Å; C272-A277 PolarHBondContact O-N 2.8Å; G273-A277 WeakPolarHBondContact CA-O 3.34Å; G273-A277 PolarHBondContact N-O 3.24Å; A277-C347 HydrophobicContact CB-CB 4.16Å; A277-F348 WeakPolarHBondContact CB-O 3.31Å; A277-K349 HydrophobicContact CB-CB 4.41Å
278	Q	95.5	Very high	95.8	Very high	146 Å²	146	36.1 Å²	36.1	68%	0.682	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	168.9	170.1	-70.3	174.9	-27.1	0	0	109.1	C272 A280 C347 F348	C272-Q278 VanDerWaalsContact CB-C 3.44Å; C272-Q278 WeakPolarHBondContact CB-O 3.35Å; Q278-A280 PolarHBondContact O-N 2.94Å; Q278-C347 CarbonylContact O-C 3.54Å; Q278-C347 VanDerWaalsContact O-CA 3.25Å; Q278-C347 WeakPolarHBondContact O-CA 3.12Å; Q278-F348 PolarHBondContact N-O 3.2Å; Q278-F348 PolarHBondContact O-N 2.96Å
279	L	96.4	Very high	95.8	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.058	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	137	164	-73.6	170.5	0	0	0	108.8	F265 A268 Q269 W300 V345	F265-L279 HydrophobicContact CD2-CD1 4.37Å; F265-L279 HydrophobicContact CE2-CD1 3.78Å; F265-L279 HydrophobicContact CZ-CD1 4.14Å; A268-L279 HydrophobicContact CB-CD2 4.15Å; Q269-L279 HydrophobicContact CB-CD1 3.91Å; Q269-L279 HydrophobicContact CB-CG 4.37Å; Q269-L279 HydrophobicContact CG-CD1 4.27Å; L279-W300 HydrophobicContact CD2-CB 4.31Å; L279-V345 HydrophobicContact CD2-CG2 3.51Å
280	A	97.5	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.8	143.2	173.5	0	0	0	0	0	110	V254 Q278 L301 S302 Y346 F348	V254-A280 HydrophobicContact CG1-CB 4.15Å; V254-A280 HydrophobicContact CG2-CB 4.16Å; Q278-A280 PolarHBondContact O-N 2.94Å; A280-L301 HydrophobicContact CB-CD2 3.95Å; A280-L301 WeakPolarHBondContact O-CA 3.06Å; A280-L301 WeakPolarHBondContact O-CB 3.01Å; A280-L301 VanDerWaalsContact O-CD2 3.31Å; A280-L301 WeakPolarHBondContact O-CD2 3.19Å; A280-S302 PolarHBondContact O-N 3.38Å; A280-Y346 WeakPolarHBondContact CB-O 3.5Å; A280-Y346 PolarHBondContact N-O 3.45Å; A280-F348 HydrophobicContact CB-CB 4Å
281	T	97.5	Very high	95.4	Very high	18 Å²	18	35.7 Å²	35.7	11%	0.11	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-77.6	161.2	170.1	76.6	0	0	0	0	110.8	I177 A283 Q284 L285 S302	I177-T281 WeakPolarHBondContact O-CB 3.39Å; I177-T281 PolarHBondContact O-OG1 2.94Å; T281-A283 VanDerWaalsContact C-N 3.33Å; T281-A283 PolarHBondContact O-N 2.71Å; T281-Q284 HydrophobicContact CG2-CG 4.48Å; T281-Q284 WeakPolarHBondContact O-CB 3.38Å; T281-Q284 PolarHBondContact O-N 3.32Å; T281-Q284 VanDerWaalsContact O-N 3.14Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.26Å; T281-Q284 PolarHBondContact OG1-N 2.87Å; T281-Q284 VanDerWaalsContact OG1-N 3.11Å; T281-L285 PolarHBondContact O-N 3.31Å; T281-S302 WeakPolarHBondContact CA-OG 3.23Å
282	T	96.8	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-45.9	172.8	-76.4	0	0	0	0	112.4	F154 Y156 I177 Q284 L285 Y286 L301 D303 R307	F154-T282 HydrophobicContact CD2-CG2 4.41Å; F154-T282 HydrophobicContact CE2-CG2 3.84Å; Y156-T282 HydrophobicContact CD2-CG2 4.03Å; Y156-T282 HydrophobicContact CE2-CG2 4.18Å; I177-T282 HydrophobicContact CD1-CG2 4.16Å; T282-Q284 VanDerWaalsContact C-N 3.32Å; T282-Q284 PolarHBondContact O-N 3.47Å; T282-L285 PolarHBondContact O-N 3.22Å; T282-Y286 HydrophobicContact CG2-CD2 3.8Å; T282-Y286 HydrophobicContact CG2-CE2 3.7Å; T282-Y286 VanDerWaalsContact O-CD2 3.31Å; T282-Y286 WeakPolarHBondContact O-CD2 3.37Å; T282-Y286 PolarHBondContact O-N 3.08Å; T282-L301 WeakPolarHBondContact OG1-CD1 3.44Å; T282-D303 WeakPolarHBondContact CB-OD2 2.95Å; T282-D303 PolarHBondContact OG1-OD2 3.19Å; T282-R307 VanDerWaalsContact CG2-CZ 3.49Å; T282-R307 VanDerWaalsContact OG1-CZ 3.3Å; T282-R307 PolarHBondContact OG1-NE 3.06Å; T282-R307 PolarHBondContact OG1-NH2 3.28Å; T282-R307 VanDerWaalsContact OG1-NH2 3.15Å
283	A	97.1	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-38.7	177.1	0	0	0	0	0	112.4	F154 I177 A179 I247 T281 L285 Y286 S287	F154-A283 HydrophobicContact CE1-CB 4.14Å; F154-A283 HydrophobicContact CZ-CB 3.79Å; I177-A283 HydrophobicContact CD1-CB 4.34Å; I177-A283 HydrophobicContact CG1-CB 4.22Å; I177-A283 WeakPolarHBondContact O-CB 3.4Å; A179-A283 HydrophobicContact CB-CB 3.78Å; I247-A283 HydrophobicContact CB-CB 4.23Å; I247-A283 HydrophobicContact CD1-CB 3.79Å; I247-A283 HydrophobicContact CG2-CB 4.16Å; T281-A283 VanDerWaalsContact C-N 3.33Å; T281-A283 PolarHBondContact O-N 2.71Å; A283-L285 VanDerWaalsContact C-N 3.33Å; A283-L285 PolarHBondContact O-N 3.03Å; A283-Y286 PolarHBondContact O-N 3.33Å; A283-S287 PolarHBondContact O-N 2.88Å
284	Q	97.4	Very high	95.1	Very high	33 Å²	33	35.6 Å²	35.6	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-38.1	175.9	-69.5	163.9	5.7	0	0	112.1	I250 V254 T281 T282 S287 A288 F348	I250-Q284 HydrophobicContact CG2-CB 4.11Å; I250-Q284 HydrophobicContact CG2-CG 3.75Å; V254-Q284 HydrophobicContact CG2-CB 3.9Å; V254-Q284 WeakPolarHBondContact CG2-O 3.45Å; T281-Q284 HydrophobicContact CG2-CG 4.48Å; T281-Q284 WeakPolarHBondContact O-CB 3.38Å; T281-Q284 PolarHBondContact O-N 3.32Å; T281-Q284 VanDerWaalsContact O-N 3.14Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.26Å; T281-Q284 PolarHBondContact OG1-N 2.87Å; T281-Q284 VanDerWaalsContact OG1-N 3.11Å; T282-Q284 VanDerWaalsContact C-N 3.32Å; T282-Q284 PolarHBondContact O-N 3.47Å; Q284-S287 PolarHBondContact O-N 3.36Å; Q284-A288 WeakPolarHBondContact O-CB 3.49Å; Q284-A288 PolarHBondContact O-N 3.28Å; Q284-F348 HydrophobicContact CB-CD2 4.42Å; Q284-F348 HydrophobicContact CG-CD2 4.22Å; Q284-F348 HydrophobicContact CG-CE2 4.33Å
285	L	97.3	Very high	95.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.7	-42.4	174.8	-171	67.1	0	0	0	111.8	V254 T281 T282 A283 A288 W289 L293 L301 R307 P309 V324 Y346	V254-L285 HydrophobicContact CG1-CD1 4.31Å; T281-L285 PolarHBondContact O-N 3.31Å; T282-L285 PolarHBondContact O-N 3.22Å; A283-L285 VanDerWaalsContact C-N 3.33Å; A283-L285 PolarHBondContact O-N 3.03Å; L285-A288 PolarHBondContact O-N 3.05Å; L285-W289 WeakPolarHBondContact O-CB 3.19Å; L285-W289 PolarHBondContact O-N 3.03Å; L285-L293 HydrophobicContact CD1-CD2 3.99Å; L285-L301 HydrophobicContact CB-CD1 4.34Å; L285-L301 HydrophobicContact CB-CD2 4.24Å; L285-L301 HydrophobicContact CD2-CD1 3.88Å; L285-L301 HydrophobicContact CD2-CD2 4.17Å; L285-L301 HydrophobicContact CD2-CG 4.49Å; L285-R307 HydrophobicContact CD2-CB 3.74Å; L285-P309 HydrophobicContact CD1-CB 4.42Å; L285-P309 HydrophobicContact CD1-CG 4.03Å; L285-V324 HydrophobicContact CD2-CG1 3.66Å; L285-V324 HydrophobicContact CG-CG1 4.28Å; L285-V324 HydrophobicContact CG-CG2 4.43Å; L285-Y346 HydrophobicContact CD1-CD1 3.72Å; L285-Y346 HydrophobicContact CD1-CE1 4.08Å; L285-Y346 HydrophobicContact CD1-CG 3.98Å
286	Y	97.4	Very high	95.1	Very high	23 Å²	23	37.6 Å²	37.6	9%	0.09	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-43.1	174	-84.4	-79.8	0	0	0	112.2	V152 F154 T282 A283 A288 W289 S290 V324	V152-Y286 HydrophobicContact CG2-CD1 4.41Å; F154-Y286 HydrophobicContact CB-CD1 3.59Å; F154-Y286 HydrophobicContact CB-CD2 3.97Å; F154-Y286 HydrophobicContact CB-CE1 3.41Å; F154-Y286 VanDerWaalsContact CB-CE1 3.41Å; F154-Y286 HydrophobicContact CB-CE2 3.83Å; F154-Y286 HydrophobicContact CB-CG 3.88Å; F154-Y286 HydrophobicContact CD1-CD1 4.21Å; F154-Y286 AromaticContact CD1-CD2 3.81Å; F154-Y286 HydrophobicContact CD1-CD2 3.81Å; F154-Y286 HydrophobicContact CD1-CE2 4.43Å; F154-Y286 AromaticContact CD1-CG 3.71Å; F154-Y286 HydrophobicContact CD1-CG 3.71Å; F154-Y286 AromaticContact CD2-CD2 3.49Å; F154-Y286 HydrophobicContact CD2-CD2 3.49Å; F154-Y286 VanDerWaalsContact CD2-CD2 3.49Å; F154-Y286 AromaticContact CD2-CE2 3.39Å; F154-Y286 HydrophobicContact CD2-CE2 3.39Å; F154-Y286 HydrophobicContact CD2-CG 4.17Å; F154-Y286 AromaticContact CD2-CZ 3.98Å; F154-Y286 HydrophobicContact CE1-CD2 4.16Å; F154-Y286 HydrophobicContact CE1-CG 4.29Å; F154-Y286 AromaticContact CE2-CD2 3.86Å; F154-Y286 HydrophobicContact CE2-CD2 3.86Å; F154-Y286 HydrophobicContact CE2-CE2 4.04Å; F154-Y286 AromaticContact CG-CD1 3.92Å; F154-Y286 HydrophobicContact CG-CD1 3.92Å; F154-Y286 AromaticContact CG-CD2 3.47Å; F154-Y286 HydrophobicContact CG-CD2 3.47Å; F154-Y286 VanDerWaalsContact CG-CD2 3.47Å; F154-Y286 HydrophobicContact CG-CE1 4.05Å; F154-Y286 AromaticContact CG-CE2 3.63Å; F154-Y286 HydrophobicContact CG-CE2 3.63Å; F154-Y286 AromaticContact CG-CG 3.64Å; F154-Y286 HydrophobicContact CG-CG 3.64Å; F154-Y286 AromaticContact CG-CZ 3.92Å; F154-Y286 HydrophobicContact CZ-CD2 4.18Å; T282-Y286 HydrophobicContact CG2-CD2 3.8Å; T282-Y286 HydrophobicContact CG2-CE2 3.7Å; T282-Y286 VanDerWaalsContact O-CD2 3.31Å; T282-Y286 WeakPolarHBondContact O-CD2 3.37Å; T282-Y286 PolarHBondContact O-N 3.08Å; A283-Y286 PolarHBondContact O-N 3.33Å; Y286-A288 VanDerWaalsContact C-N 3.33Å; Y286-A288 PolarHBondContact O-N 2.93Å; Y286-W289 HydrophobicContact CD1-CE3 4.22Å; Y286-W289 WeakPolarHBondContact O-CB 3.49Å; Y286-W289 PolarHBondContact O-N 2.79Å; Y286-S290 PolarHBondContact O-N 2.9Å; Y286-S290 PolarHBondContact O-OG 3.4Å; Y286-V324 HydrophobicContact CD1-CB 3.96Å; Y286-V324 HydrophobicContact CD1-CG2 3.55Å; Y286-V324 HydrophobicContact CD2-CB 4.49Å; Y286-V324 HydrophobicContact CD2-CG2 4.33Å; Y286-V324 HydrophobicContact CE1-CB 3.55Å; Y286-V324 HydrophobicContact CE1-CG2 3.71Å; Y286-V324 HydrophobicContact CE2-CB 4.12Å; Y286-V324 HydrophobicContact CE2-CG1 4.35Å; Y286-V324 HydrophobicContact CE2-CG2 4.45Å; Y286-V324 HydrophobicContact CG-CB 4.4Å; Y286-V324 HydrophobicContact CG-CG2 3.88Å
287	S	95.9	Very high	95	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-67.9	-30.2	175.8	-179.1	0	0	0	0	113.2	I250 A283 Q284 S290 E291	I250-S287 PolarHBondContact N-OG 3.25Å; A283-S287 PolarHBondContact O-N 2.88Å; Q284-S287 PolarHBondContact O-N 3.36Å; S287-S290 PolarHBondContact O-OG 2.94Å; S287-E291 PolarHBondContact O-N 3.47Å
288	A	95.8	Very high	95	Very high	11 Å²	11	37.7 Å²	37.7	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-75.4	-36.2	174.1	0	0	0	0	0	111.7	I250 V254 Q284 L285 Y286 E291 G292 L293	I250-A288 HydrophobicContact CD1-CB 4.4Å; V254-A288 HydrophobicContact CB-CB 3.75Å; V254-A288 HydrophobicContact CG1-CB 4.37Å; V254-A288 HydrophobicContact CG2-CB 3.87Å; Q284-A288 WeakPolarHBondContact O-CB 3.49Å; Q284-A288 PolarHBondContact O-N 3.28Å; L285-A288 PolarHBondContact O-N 3.05Å; Y286-A288 VanDerWaalsContact C-N 3.33Å; Y286-A288 PolarHBondContact O-N 2.93Å; A288-E291 CarbonylContact O-C 3.44Å; A288-E291 PolarHBondContact O-N 3.46Å; A288-G292 PolarHBondContact O-N 3.46Å; A288-L293 HydrophobicContact CB-CB 4.12Å; A288-L293 HydrophobicContact CB-CD2 3.77Å; A288-L293 WeakPolarHBondContact O-CB 3.49Å; A288-L293 PolarHBondContact O-N 2.8Å
289	W	95.4	Very high	94.9	Very high	57 Å²	57	30.8 Å²	30.8	22%	0.216	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-47.3	173.6	167.1	69.3	0	0	0	111.9	V152 L285 Y286 E291 G292 P309 I310 A322 G323 V324	V152-W289 HydrophobicContact CG2-CE3 4.26Å; V152-W289 HydrophobicContact CG2-CZ3 3.86Å; L285-W289 WeakPolarHBondContact O-CB 3.19Å; L285-W289 PolarHBondContact O-N 3.03Å; Y286-W289 HydrophobicContact CD1-CE3 4.22Å; Y286-W289 WeakPolarHBondContact O-CB 3.49Å; Y286-W289 PolarHBondContact O-N 2.79Å; W289-E291 PolarHBondContact O-N 2.91Å; W289-G292 PolarHBondContact O-N 3.2Å; W289-P309 HydrophobicContact CB-CB 3.77Å; W289-P309 HydrophobicContact CG-CB 4.09Å; W289-I310 VanDerWaalsContact NE1-C 3.33Å; W289-I310 PolarHBondContact NE1-O 2.82Å; W289-A322 HydrophobicContact CZ2-CB 4.38Å; W289-G323 VanDerWaalsContact CZ2-CA 3.42Å; W289-V324 HydrophobicContact CB-CG2 3.75Å; W289-V324 HydrophobicContact CD2-CG2 4.22Å; W289-V324 HydrophobicContact CE3-CG2 4.5Å; W289-V324 HydrophobicContact CG-CG2 3.87Å
290	S	92.9	Very high	94.9	Very high	30 Å²	30	30.3 Å²	30.3	21%	0.21	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.4	176.9	63.7	0	0	0	0	114.1	Y286 S287	Y286-S290 PolarHBondContact O-N 2.9Å; Y286-S290 PolarHBondContact O-OG 3.4Å; S287-S290 PolarHBondContact O-OG 2.94Å
291	E	90.9	Very high	94.9	Very high	94 Å²	94	30.3 Å²	30.3	44%	0.439	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	10.4	166.1	-62.2	-143.1	122.5	0	0	113.9	K148 K150 S287 A288 W289	K148-E291 IonicContact NZ-OE1 3.83Å; K148-E291 PolarHBondContact NZ-OE1 3.39Å; K150-E291 IonicContact NZ-OE1 3.84Å; K150-E291 PolarHBondContact NZ-OE1 3.31Å; S287-E291 PolarHBondContact O-N 3.47Å; A288-E291 CarbonylContact O-C 3.44Å; A288-E291 PolarHBondContact O-N 3.46Å; W289-E291 PolarHBondContact O-N 2.91Å
292	G	92.5	Very high	94.8	Very high	47 Å²	47	31.9 Å²	31.9	49%	0.485	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	13.4	169.8	0	0	0	0	0	116.1	A288 W289 D294	A288-G292 PolarHBondContact O-N 3.46Å; W289-G292 PolarHBondContact O-N 3.2Å; G292-D294 PolarHBondContact O-N 3.01Å; G292-D294 VanDerWaalsContact O-N 3.16Å
293	L	94.1	Very high	94.6	Very high	36 Å²	36	33.6 Å²	33.6	19%	0.188	19%	0.189	C	C	.	.			trans	-69.6	108.5	173.1	-178.8	61.8	0	0	0	110.6	V254 L285 A288 R295 P309 V311 Y346	V254-L293 HydrophobicContact CB-CD2 4.47Å; V254-L293 HydrophobicContact CG1-CD2 3.96Å; L285-L293 HydrophobicContact CD1-CD2 3.99Å; A288-L293 HydrophobicContact CB-CB 4.12Å; A288-L293 HydrophobicContact CB-CD2 3.77Å; A288-L293 WeakPolarHBondContact O-CB 3.49Å; A288-L293 PolarHBondContact O-N 2.8Å; L293-R295 HydrophobicContact CD1-CG 4.13Å; L293-P309 HydrophobicContact CD2-CG 4.12Å; L293-P309 HydrophobicContact CG-CG 3.88Å; L293-P309 VanDerWaalsContact O-CB 3.31Å; L293-P309 WeakPolarHBondContact O-CB 3.4Å; L293-P309 WeakPolarHBondContact O-CG 3.43Å; L293-V311 WeakPolarHBondContact O-CG2 3.44Å; L293-Y346 HydrophobicContact CD2-CD1 4.45Å; L293-Y346 HydrophobicContact CD2-CE1 4.44Å
294	D	93.9	Very high	94.4	Very high	44 Å²	44	34.4 Å²	34.4	24%	0.235	20%	0.198	C	C	.	.			trans	-117.3	111.4	-178	-171	37.3	0	0	0	110.7	G292 V311 I312 R314	G292-D294 PolarHBondContact O-N 3.01Å; G292-D294 VanDerWaalsContact O-N 3.16Å; D294-V311 HydrophobicContact CB-CB 3.91Å; D294-V311 HydrophobicContact CB-CG2 3.89Å; D294-V311 PolarHBondContact OD1-N 3.38Å; D294-I312 PolarHBondContact OD1-N 2.84Å; D294-R314 IonicContact OD1-CZ 3.91Å; D294-R314 IonicContact OD1-NH1 3.8Å; D294-R314 IonicContact OD1-NH2 2.76Å; D294-R314 PolarHBondContact OD1-NH2 3.09Å; D294-R314 IonicContact OD2-CZ 3.88Å; D294-R314 IonicContact OD2-NH1 4Å; D294-R314 PolarHBondContact OD2-NH1 3.42Å; D294-R314 IonicContact OD2-NH2 2.93Å; D294-R314 PolarHBondContact OD2-NH2 3.25Å
295	R	93.1	Very high	94.3	Very high	111 Å²	111	32.9 Å²	32.9	42%	0.419	19%	0.19	S	C	.	.			trans	-145	134.8	-177.1	-71.6	-63.3	-177.9	175.2	0.8	112	Y256 L293 P309 Y346	Y256-R295 HydrophobicContact CD1-CG 4.49Å; Y256-R295 HydrophobicContact CG-CG 4.36Å; L293-R295 HydrophobicContact CD1-CG 4.13Å; R295-P309 HydrophobicContact CB-CG 4.19Å; R295-P309 PolarHBondContact N-O 3.04Å; R295-P309 VanDerWaalsContact O-O 3.05Å; R295-Y346 HydrophobicContact CB-CE1 4.32Å; R295-Y346 VanDerWaalsContact CB-OH 3.23Å; R295-Y346 WeakPolarHBondContact CB-OH 3.48Å; R295-Y346 HydrophobicContact CG-CE1 4.36Å
296	C	91.4	Very high	94.2	Very high	62 Å²	62	32.9 Å²	32.9	42%	0.419	19%	0.19	S	C	.	.			trans	-86.6	-19.3	-179.8	-155.6	0	0	0	0	114	P298 C317	C296-P298 WeakPolarHBondContact O-CD 3.29Å; C296-C317 WeakPolarHBondContact CA-SG 3.16Å; C296-C317 HydrophobicContact CB-CB 4.43Å; C296-C317 WeakPolarHBondContact CB-SG 3.41Å; C296-C317 WeakPolarHBondContact SG-CB 3.23Å; C296-C317 CovalentContact SG-SG 2.02Å; C296-C317 PolarHBondContact SG-SG 3.46Å
297	S	91.6	Very high	94.1	Very high	34 Å²	34	31.9 Å²	31.9	24%	0.238	19%	0.186	C	C	.	.	S	Bend	trans	-82.3	125.7	-173.8	-43.5	0	0	0	0	111.6	Y256 Y308 D344 Y346	Y256-S297 PolarHBondContact OH-OG 3.3Å; S297-Y308 WeakPolarHBondContact O-CB 3.12Å; S297-D344 WeakPolarHBondContact CB-OD2 3.31Å; S297-D344 PolarHBondContact OG-OD2 2.97Å; S297-Y346 PolarHBondContact O-OH 2.84Å
298	P	93.7	Very high	94.1	Very high	33 Å²	33	33.6 Å²	33.6	21%	0.214	19%	0.193	C	C	.	.			trans	-68.1	134.7	169.7	-14.8	29.7	0	0	0	111.7	C296 V306 Y308 L327 D344	C296-P298 WeakPolarHBondContact O-CD 3.29Å; P298-V306 HydrophobicContact CB-CG1 3.61Å; P298-Y308 HydrophobicContact CB-CD1 3.99Å; P298-Y308 HydrophobicContact CG-CD1 3.86Å; P298-Y308 HydrophobicContact CG-CE1 4.18Å; P298-L327 HydrophobicContact CB-CD1 3.42Å; P298-L327 VanDerWaalsContact CB-CD1 3.42Å; P298-L327 HydrophobicContact CG-CD1 3.62Å; P298-D344 WeakPolarHBondContact O-CB 3.31Å; P298-D344 PolarHBondContact O-N 3.35Å
299	G	94.6	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.3	177.7	0	0	0	0	0	113.8	V306 R307 D344	G299-V306 WeakPolarHBondContact O-CA 3.45Å; G299-R307 PolarHBondContact N-O 2.9Å; G299-R307 PolarHBondContact O-N 3.04Å; G299-D344 CarbonylContact C-O 3.52Å; G299-D344 WeakPolarHBondContact CA-O 3.41Å
300	W	96.8	Very high	94	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.8	-178.7	-70.1	111.9	0	0	0	113	L263 F265 A268 L279 G304 V306 P337 E338 A341 H343 D344 Y346	L263-W300 PolarHBondContact O-NE1 2.89Å; F265-W300 HydrophobicContact CB-CD2 4.11Å; F265-W300 HydrophobicContact CB-CE3 4.25Å; F265-W300 HydrophobicContact CB-CH2 4.25Å; F265-W300 HydrophobicContact CB-CZ2 4.1Å; F265-W300 HydrophobicContact CB-CZ3 4.32Å; F265-W300 HydrophobicContact CD2-CD2 4.01Å; F265-W300 AromaticContact CD2-CE3 3.67Å; F265-W300 HydrophobicContact CD2-CE3 3.67Å; F265-W300 HydrophobicContact CD2-CG 4.42Å; F265-W300 HydrophobicContact CD2-CZ3 4.16Å; F265-W300 HydrophobicContact CG-CE3 4.42Å; A268-W300 HydrophobicContact CB-CB 4.05Å; A268-W300 HydrophobicContact CB-CG 4.16Å; L279-W300 HydrophobicContact CD2-CB 4.31Å; W300-G304 WeakPolarHBondContact CZ3-O 3.46Å; W300-V306 HydrophobicContact CD2-CG2 3.74Å; W300-V306 HydrophobicContact CE3-CG2 3.36Å; W300-V306 HydrophobicContact CH2-CG2 3.91Å; W300-V306 HydrophobicContact CZ2-CG2 4.25Å; W300-V306 HydrophobicContact CZ3-CG2 3.45Å; W300-V306 VanDerWaalsContact CZ3-CG2 3.45Å; W300-P337 HydrophobicContact CH2-CB 4.12Å; W300-E338 WeakPolarHBondContact CH2-O 3.44Å; W300-A341 HydrophobicContact CZ2-CB 4.24Å; W300-A341 VanDerWaalsContact CZ2-O 3.29Å; W300-A341 WeakPolarHBondContact CZ2-O 3.38Å; W300-A341 PolarHBondContact NE1-O 3.17Å; W300-H343 AromaticContact CE2-CD2 3.97Å; W300-H343 AromaticContact CZ2-CD2 3.88Å; W300-D344 PolarHBondContact N-O 2.74Å; W300-Y346 PolarHBondContact O-N 3Å
301	L	96.5	Very high	94	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.			trans	-126.1	165.9	172.6	-64.4	179	0	0	0	111.1	F265 A280 T282 L285 D303 G304 S305 R307 Y346	F265-L301 WeakPolarHBondContact CE2-O 2.92Å; A280-L301 HydrophobicContact CB-CD2 3.95Å; A280-L301 WeakPolarHBondContact O-CA 3.06Å; A280-L301 WeakPolarHBondContact O-CB 3.01Å; A280-L301 VanDerWaalsContact O-CD2 3.31Å; A280-L301 WeakPolarHBondContact O-CD2 3.19Å; T282-L301 WeakPolarHBondContact OG1-CD1 3.44Å; L285-L301 HydrophobicContact CB-CD1 4.34Å; L285-L301 HydrophobicContact CB-CD2 4.24Å; L285-L301 HydrophobicContact CD2-CD1 3.88Å; L285-L301 HydrophobicContact CD2-CD2 4.17Å; L285-L301 HydrophobicContact CD2-CG 4.49Å; L301-D303 WeakPolarHBondContact CB-OD1 3.11Å; L301-D303 PolarHBondContact O-N 2.78Å; L301-D303 VanDerWaalsContact O-N 3.13Å; L301-G304 PolarHBondContact O-N 3.45Å; L301-G304 VanDerWaalsContact O-N 3.09Å; L301-S305 PolarHBondContact N-O 3.38Å; L301-R307 HydrophobicContact CD1-CB 3.79Å; L301-R307 HydrophobicContact CD1-CG 3.7Å; L301-Y346 HydrophobicContact CD2-CG 4.49Å
302	S	95.5	Very high	94	Very high	51 Å²	51	32.1 Å²	32.1	36%	0.357	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.7	-173	72.3	0	0	0	0	115.4	A280 T281 G304	A280-S302 PolarHBondContact O-N 3.38Å; T281-S302 WeakPolarHBondContact CA-OG 3.23Å; S302-G304 VanDerWaalsContact C-N 3.3Å
303	D	93.6	Very high	93.8	Very high	35 Å²	35	32.8 Å²	32.8	19%	0.187	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	5.3	177.6	63	-7.5	0	0	0	112.9	I177 T282 L301 S305 R307	I177-D303 HydrophobicContact CG2-CB 4.35Å; T282-D303 WeakPolarHBondContact CB-OD2 2.95Å; T282-D303 PolarHBondContact OG1-OD2 3.19Å; L301-D303 WeakPolarHBondContact CB-OD1 3.11Å; L301-D303 PolarHBondContact O-N 2.78Å; L301-D303 VanDerWaalsContact O-N 3.13Å; D303-S305 PolarHBondContact O-N 3.38Å; D303-S305 WeakPolarHBondContact OD1-CB 3.29Å; D303-S305 PolarHBondContact OD1-N 3.29Å; D303-S305 PolarHBondContact OD1-OG 2.84Å; D303-S305 PolarHBondContact OD2-OG 3.1Å; D303-S305 VanDerWaalsContact OD2-OG 3.12Å; D303-R307 IonicContact OD2-CZ 2.8Å; D303-R307 IonicContact OD2-NH2 2.69Å; D303-R307 PolarHBondContact OD2-NH2 2.63Å
304	G	92.9	Very high	93.5	Very high	18 Å²	18	35 Å²	35	19%	0.186	19%	0.191	C	C	.	.	S	Bend	trans	73.2	8.3	-174	0	0	0	0	0	113.6	W300 L301 S302 F336	W300-G304 WeakPolarHBondContact CZ3-O 3.46Å; L301-G304 PolarHBondContact O-N 3.45Å; L301-G304 VanDerWaalsContact O-N 3.09Å; S302-G304 VanDerWaalsContact C-N 3.3Å; G304-F336 WeakPolarHBondContact O-CB 3.41Å; G304-F336 WeakPolarHBondContact O-CD2 3.08Å
305	S	94.9	Very high	93.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.			trans	-84.9	157.7	171.3	75.1	0	0	0	0	111.6	L301 D303 R307	L301-S305 PolarHBondContact N-O 3.38Å; D303-S305 PolarHBondContact O-N 3.38Å; D303-S305 WeakPolarHBondContact OD1-CB 3.29Å; D303-S305 PolarHBondContact OD1-N 3.29Å; D303-S305 PolarHBondContact OD1-OG 2.84Å; D303-S305 PolarHBondContact OD2-OG 3.1Å; D303-S305 VanDerWaalsContact OD2-OG 3.12Å; S305-R307 PolarHBondContact OG-NE 2.65Å; S305-R307 PolarHBondContact OG-NH2 2.93Å
306	V	95.1	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.1	174.4	178.9	0	0	0	0	108.2	P298 G299 W300 L327 P337 H343	P298-V306 HydrophobicContact CB-CG1 3.61Å; G299-V306 WeakPolarHBondContact O-CA 3.45Å; W300-V306 HydrophobicContact CD2-CG2 3.74Å; W300-V306 HydrophobicContact CE3-CG2 3.36Å; W300-V306 HydrophobicContact CH2-CG2 3.91Å; W300-V306 HydrophobicContact CZ2-CG2 4.25Å; W300-V306 HydrophobicContact CZ3-CG2 3.45Å; W300-V306 VanDerWaalsContact CZ3-CG2 3.45Å; V306-L327 HydrophobicContact CG1-CD1 4.17Å; V306-L327 PolarHBondContact O-N 2.82Å; V306-P337 HydrophobicContact CB-CG 4.04Å; V306-P337 HydrophobicContact CG2-CB 4.23Å; V306-P337 HydrophobicContact CG2-CG 3.74Å; V306-H343 HydrophobicContact CG1-CB 4.13Å
307	R	95.8	Very high	92.4	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165	-172.4	-55.2	-167.3	-158.4	-128.3	8.2	112.4	T282 L285 G299 L301 D303 S305 V324 K325 T326 Y346	T282-R307 VanDerWaalsContact CG2-CZ 3.49Å; T282-R307 VanDerWaalsContact OG1-CZ 3.3Å; T282-R307 PolarHBondContact OG1-NE 3.06Å; T282-R307 PolarHBondContact OG1-NH2 3.28Å; T282-R307 VanDerWaalsContact OG1-NH2 3.15Å; L285-R307 HydrophobicContact CD2-CB 3.74Å; G299-R307 PolarHBondContact N-O 2.9Å; G299-R307 PolarHBondContact O-N 3.04Å; L301-R307 HydrophobicContact CD1-CB 3.79Å; L301-R307 HydrophobicContact CD1-CG 3.7Å; D303-R307 IonicContact OD2-CZ 2.8Å; D303-R307 IonicContact OD2-NH2 2.69Å; D303-R307 PolarHBondContact OD2-NH2 2.63Å; S305-R307 PolarHBondContact OG-NE 2.65Å; S305-R307 PolarHBondContact OG-NH2 2.93Å; R307-V324 HydrophobicContact CB-CG1 3.83Å; R307-V324 HydrophobicContact CG-CG1 4.49Å; R307-K325 CarbonylContact C-O 3.49Å; R307-K325 WeakPolarHBondContact CA-O 3.41Å; R307-K325 VanDerWaalsContact CB-O 3.31Å; R307-K325 WeakPolarHBondContact CB-O 3.4Å; R307-T326 WeakPolarHBondContact CD-OG1 3.44Å; R307-T326 HydrophobicContact CG-CG2 4.05Å; R307-T326 PolarHBondContact NH1-OG1 2.91Å; R307-Y346 WeakPolarHBondContact O-CE2 3.38Å
308	Y	94.8	Very high	91.4	Very high	38 Å²	38	45.1 Å²	45.1	15%	0.149	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	136.3	172.9	57.9	-83.6	0	0	0	112.1	S297 P298 I310 V324 K325 L327	S297-Y308 WeakPolarHBondContact O-CB 3.12Å; P298-Y308 HydrophobicContact CB-CD1 3.99Å; P298-Y308 HydrophobicContact CG-CD1 3.86Å; P298-Y308 HydrophobicContact CG-CE1 4.18Å; Y308-I310 HydrophobicContact CD2-CD1 3.72Å; Y308-I310 HydrophobicContact CD2-CG1 3.82Å; Y308-I310 HydrophobicContact CE2-CD1 3.93Å; Y308-I310 HydrophobicContact CE2-CG1 3.87Å; Y308-V324 WeakPolarHBondContact O-CA 3.43Å; Y308-K325 HydrophobicContact CD1-CB 4.19Å; Y308-K325 HydrophobicContact CD2-CB 4.17Å; Y308-K325 HydrophobicContact CD2-CG 4.3Å; Y308-K325 HydrophobicContact CE1-CB 3.73Å; Y308-K325 HydrophobicContact CE2-CB 3.73Å; Y308-K325 HydrophobicContact CE2-CG 3.72Å; Y308-K325 HydrophobicContact CG-CB 4.39Å; Y308-K325 VanDerWaalsContact CZ-CB 3.49Å; Y308-K325 PolarHBondContact N-O 2.03Å; Y308-K325 PolarHBondContact O-N 3.39Å; Y308-L327 HydrophobicContact CD1-CD1 3.98Å; Y308-L327 HydrophobicContact CE1-CD1 3.72Å
309	P	95.8	Very high	90.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.2	-174.9	36.3	-35.1	0	0	0	112.9	L285 W289 L293 R295 V324 Y346	L285-P309 HydrophobicContact CD1-CB 4.42Å; L285-P309 HydrophobicContact CD1-CG 4.03Å; W289-P309 HydrophobicContact CB-CB 3.77Å; W289-P309 HydrophobicContact CG-CB 4.09Å; L293-P309 HydrophobicContact CD2-CG 4.12Å; L293-P309 HydrophobicContact CG-CG 3.88Å; L293-P309 VanDerWaalsContact O-CB 3.31Å; L293-P309 WeakPolarHBondContact O-CB 3.4Å; L293-P309 WeakPolarHBondContact O-CG 3.43Å; R295-P309 HydrophobicContact CB-CG 4.19Å; R295-P309 PolarHBondContact N-O 3.04Å; R295-P309 VanDerWaalsContact O-O 3.05Å; P309-V324 HydrophobicContact CB-CG2 4.16Å; P309-Y346 WeakPolarHBondContact CD-OH 3.5Å; P309-Y346 HydrophobicContact CG-CE1 4.35Å
310	I	94	Very high	90.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.9	178.4	-57.3	-63.4	0	0	0	110.4	W289 Y308 I312 C317 A322 G323 K325	W289-I310 VanDerWaalsContact NE1-C 3.33Å; W289-I310 PolarHBondContact NE1-O 2.82Å; Y308-I310 HydrophobicContact CD2-CD1 3.72Å; Y308-I310 HydrophobicContact CD2-CG1 3.82Å; Y308-I310 HydrophobicContact CE2-CD1 3.93Å; Y308-I310 HydrophobicContact CE2-CG1 3.87Å; I310-I312 WeakPolarHBondContact CG2-O 3.46Å; I310-C317 WeakPolarHBondContact CD1-O 3.36Å; I310-C317 WeakPolarHBondContact CD1-SG 3.22Å; I310-A322 CarbonylContact O-C 3.56Å; I310-A322 WeakPolarHBondContact O-CA 3.37Å; I310-A322 WeakPolarHBondContact O-CB 3.33Å; I310-G323 PolarHBondContact N-O 3.48Å; I310-G323 PolarHBondContact O-N 3.46Å; I310-K325 HydrophobicContact CG1-CG 4.14Å
311	V	92.2	Very high	89.8	Confident	55 Å²	55	55.1 Å²	55.1	33%	0.333	29%	0.288	S	S	.	.	S	Bend	trans	-91.9	-42.2	172.5	-175.8	0	0	0	0	110.3	L293 D294	L293-V311 WeakPolarHBondContact O-CG2 3.44Å; D294-V311 HydrophobicContact CB-CB 3.91Å; D294-V311 HydrophobicContact CB-CG2 3.89Å; D294-V311 PolarHBondContact OD1-N 3.38Å
312	I	90.3	Very high	89.5	Confident	107 Å²	107	57.3 Å²	57.3	55%	0.549	31%	0.306	S	S	.	.	S	Bend	trans	-104.7	110.7	178	-58.4	176	0	0	0	108.3	D294 I310 R314	D294-I312 PolarHBondContact OD1-N 2.84Å; I310-I312 WeakPolarHBondContact CG2-O 3.46Å; I312-R314 PolarHBondContact O-NH1 2.88Å
313	P	89	Confident	89.3	Confident	61 Å²	61	55.5 Å²	55.5	40%	0.396	30%	0.296	S	S	.	.			trans	-60.4	145.5	-178.6	-24.2	34.6	0	0	0	113.4	P320 A322	P313-P320 VanDerWaalsContact CB-O 3.29Å; P313-P320 WeakPolarHBondContact CB-O 3.42Å; P313-A322 HydrophobicContact CG-CB 4.32Å
314	R	88.5	Confident	89.4	Confident	81 Å²	81	54.4 Å²	54.4	31%	0.306	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-157	121.9	-169.6	-79.4	177.6	-65.2	-99.7	-2.2	109.1	D294 I312 R316 C317 G319	D294-R314 IonicContact OD1-CZ 3.91Å; D294-R314 IonicContact OD1-NH1 3.8Å; D294-R314 IonicContact OD1-NH2 2.76Å; D294-R314 PolarHBondContact OD1-NH2 3.09Å; D294-R314 IonicContact OD2-CZ 3.88Å; D294-R314 IonicContact OD2-NH1 4Å; D294-R314 PolarHBondContact OD2-NH1 3.42Å; D294-R314 IonicContact OD2-NH2 2.93Å; D294-R314 PolarHBondContact OD2-NH2 3.25Å; I312-R314 PolarHBondContact O-NH1 2.88Å; R314-R316 VanDerWaalsContact C-N 3.32Å; R314-R316 PolarHBondContact O-N 2.89Å; R314-R316 VanDerWaalsContact O-N 3.16Å; R314-C317 HydrophobicContact CB-CB 3.63Å; R314-C317 PolarHBondContact NE-SG 2.98Å; R314-C317 VanDerWaalsContact NE-SG 3.43Å; R314-C317 CarbonylContact O-C 3.53Å; R314-C317 VanDerWaalsContact O-C 3.31Å; R314-C317 WeakPolarHBondContact O-CA 3.43Å; R314-C317 PolarHBondContact O-N 2.96Å; R314-G319 CarbonylContact C-O 3.2Å; R314-G319 PolarHBondContact N-O 3.2Å; R314-G319 VanDerWaalsContact N-O 3.12Å; R314-G319 PolarHBondContact O-N 2.88Å
315	E	84.9	Confident	89.4	Confident	182 Å²	182	55.3 Å²	55.3	85%	0.85	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-48.6	-175.2	-62.1	-178.8	152.3	0	0	113.9	C317	E315-C317 PolarHBondContact O-N 3.02Å; E315-C317 VanDerWaalsContact O-N 3.12Å
316	R	85.8	Confident	89.2	Confident	247 Å²	247	56.7 Å²	56.7	93%	0.932	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	11.8	-177.8	-58.2	-174.3	-179	-169.1	-1.3	114.3	R314	R314-R316 VanDerWaalsContact C-N 3.32Å; R314-R316 PolarHBondContact O-N 2.89Å; R314-R316 VanDerWaalsContact O-N 3.16Å
317	C	84.1	Confident	89.1	Confident	7 Å²	7	59.7 Å²	59.7	5%	0.047	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-159.1	67.3	-156.9	-169.9	0	0	0	0	111.7	C296 I310 R314 E315 G319	C296-C317 WeakPolarHBondContact CA-SG 3.16Å; C296-C317 HydrophobicContact CB-CB 4.43Å; C296-C317 WeakPolarHBondContact CB-SG 3.41Å; C296-C317 WeakPolarHBondContact SG-CB 3.23Å; C296-C317 CovalentContact SG-SG 2.02Å; C296-C317 PolarHBondContact SG-SG 3.46Å; I310-C317 WeakPolarHBondContact CD1-O 3.36Å; I310-C317 WeakPolarHBondContact CD1-SG 3.22Å; R314-C317 HydrophobicContact CB-CB 3.63Å; R314-C317 PolarHBondContact NE-SG 2.98Å; R314-C317 VanDerWaalsContact NE-SG 3.43Å; R314-C317 CarbonylContact O-C 3.53Å; R314-C317 VanDerWaalsContact O-C 3.31Å; R314-C317 WeakPolarHBondContact O-CA 3.43Å; R314-C317 PolarHBondContact O-N 2.96Å; E315-C317 PolarHBondContact O-N 3.02Å; E315-C317 VanDerWaalsContact O-N 3.12Å; C317-G319 VanDerWaalsContact C-N 3.29Å; C317-G319 PolarHBondContact O-N 3.25Å
318	G	70.9	Confident	88.7	Confident	28 Å²	28	61.8 Å²	61.8	29%	0.289	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-0.4	-176.4	0	0	0	0	0	115.3	K325	G318-K325 WeakPolarHBondContact O-CE 3.34Å
319	G	83.9	Confident	88.4	Confident	16 Å²	16	66.2 Å²	66.2	17%	0.165	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	83.9	-153.8	172.2	0	0	0	0	0	114.5	R314 C317	R314-G319 CarbonylContact C-O 3.2Å; R314-G319 PolarHBondContact N-O 3.2Å; R314-G319 VanDerWaalsContact N-O 3.12Å; R314-G319 PolarHBondContact O-N 2.88Å; C317-G319 VanDerWaalsContact C-N 3.29Å; C317-G319 PolarHBondContact O-N 3.25Å
320	P	82.6	Confident	87.8	Confident	123 Å²	123	71.5 Å²	71.5	80%	0.799	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.9	-171.9	33.5	-36.5	0	0	0	114.6	P313	P313-P320 VanDerWaalsContact CB-O 3.29Å; P313-P320 WeakPolarHBondContact CB-O 3.42Å
321	Q	84	Confident	87.1	Confident	107 Å²	107	77.9 Å²	77.9	50%	0.5	41%	0.406	S	S	.	.	S	Bend	trans	-106.9	141.7	-178.8	-71	179.6	-30.4	0	0	111.6	E196 K325	E196-Q321 PolarHBondContact OE1-NE2 3.38Å; Q321-K325 WeakPolarHBondContact O-CE 3.44Å; Q321-K325 PolarHBondContact O-NZ 2.88Å
322	A	89.9	Confident	86.4	Confident	46 Å²	46	78.6 Å²	78.6	38%	0.38	41%	0.408	S	S	.	.			trans	-68.5	-178.1	168.7	0	0	0	0	0	112.1	W289 I310 P313 K325	W289-A322 HydrophobicContact CZ2-CB 4.38Å; I310-A322 CarbonylContact O-C 3.56Å; I310-A322 WeakPolarHBondContact O-CA 3.37Å; I310-A322 WeakPolarHBondContact O-CB 3.33Å; P313-A322 HydrophobicContact CG-CB 4.32Å; A322-K325 PolarHBondContact O-NZ 2.86Å
323	G	92.3	Very high	86	Confident	13 Å²	13	77.6 Å²	77.6	13%	0.134	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	111.7	164	178.2	0	0	0	0	0	113.6	W289 I310 K325	W289-G323 VanDerWaalsContact CZ2-CA 3.42Å; I310-G323 PolarHBondContact N-O 3.48Å; I310-G323 PolarHBondContact O-N 3.46Å; G323-K325 PolarHBondContact O-N 3.11Å
324	V	95.1	Very high	85.7	Confident	11 Å²	11	75.5 Å²	75.5	7%	0.067	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.7	167.2	-176.3	0	0	0	0	109	L285 Y286 W289 R307 Y308 P309	L285-V324 HydrophobicContact CD2-CG1 3.66Å; L285-V324 HydrophobicContact CG-CG1 4.28Å; L285-V324 HydrophobicContact CG-CG2 4.43Å; Y286-V324 HydrophobicContact CD1-CB 3.96Å; Y286-V324 HydrophobicContact CD1-CG2 3.55Å; Y286-V324 HydrophobicContact CD2-CB 4.49Å; Y286-V324 HydrophobicContact CD2-CG2 4.33Å; Y286-V324 HydrophobicContact CE1-CB 3.55Å; Y286-V324 HydrophobicContact CE1-CG2 3.71Å; Y286-V324 HydrophobicContact CE2-CB 4.12Å; Y286-V324 HydrophobicContact CE2-CG1 4.35Å; Y286-V324 HydrophobicContact CE2-CG2 4.45Å; Y286-V324 HydrophobicContact CG-CB 4.4Å; Y286-V324 HydrophobicContact CG-CG2 3.88Å; W289-V324 HydrophobicContact CB-CG2 3.75Å; W289-V324 HydrophobicContact CD2-CG2 4.22Å; W289-V324 HydrophobicContact CE3-CG2 4.5Å; W289-V324 HydrophobicContact CG-CG2 3.87Å; R307-V324 HydrophobicContact CB-CG1 3.83Å; R307-V324 HydrophobicContact CG-CG1 4.49Å; Y308-V324 WeakPolarHBondContact O-CA 3.43Å; P309-V324 HydrophobicContact CB-CG2 4.16Å
325	K	92.6	Very high	85.6	Confident	37 Å²	37	72.1 Å²	72.1	16%	0.161	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	146	176.5	-49.4	-53.9	-176.2	-177.7	0	109.4	R307 Y308 I310 G318 Q321 A322 G323	R307-K325 CarbonylContact C-O 3.49Å; R307-K325 WeakPolarHBondContact CA-O 3.41Å; R307-K325 VanDerWaalsContact CB-O 3.31Å; R307-K325 WeakPolarHBondContact CB-O 3.4Å; Y308-K325 HydrophobicContact CD1-CB 4.19Å; Y308-K325 HydrophobicContact CD2-CB 4.17Å; Y308-K325 HydrophobicContact CD2-CG 4.3Å; Y308-K325 HydrophobicContact CE1-CB 3.73Å; Y308-K325 HydrophobicContact CE2-CB 3.73Å; Y308-K325 HydrophobicContact CE2-CG 3.72Å; Y308-K325 HydrophobicContact CG-CB 4.39Å; Y308-K325 VanDerWaalsContact CZ-CB 3.49Å; Y308-K325 PolarHBondContact N-O 2.03Å; Y308-K325 PolarHBondContact O-N 3.39Å; I310-K325 HydrophobicContact CG1-CG 4.14Å; G318-K325 WeakPolarHBondContact O-CE 3.34Å; Q321-K325 WeakPolarHBondContact O-CE 3.44Å; Q321-K325 PolarHBondContact O-NZ 2.88Å; A322-K325 PolarHBondContact O-NZ 2.86Å; G323-K325 PolarHBondContact O-N 3.11Å
326	T	92.2	Very high	85.9	Confident	30 Å²	30	64.4 Å²	64.4	18%	0.184	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135	179.4	-53.8	0	0	0	0	108.9	R307 Y328	R307-T326 WeakPolarHBondContact CD-OG1 3.44Å; R307-T326 HydrophobicContact CG-CG2 4.05Å; R307-T326 PolarHBondContact NH1-OG1 2.91Å; T326-Y328 HydrophobicContact CG2-CD2 4.47Å; T326-Y328 HydrophobicContact CG2-CE1 4.13Å; T326-Y328 HydrophobicContact CG2-CE2 4.05Å
327	L	91.7	Very high	86.2	Confident	62 Å²	62	53.7 Å²	53.7	33%	0.325	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.9	165.5	-77.2	97	0	0	0	109.9	P298 V306 Y308	P298-L327 HydrophobicContact CB-CD1 3.42Å; P298-L327 VanDerWaalsContact CB-CD1 3.42Å; P298-L327 HydrophobicContact CG-CD1 3.62Å; V306-L327 HydrophobicContact CG1-CD1 4.17Å; V306-L327 PolarHBondContact O-N 2.82Å; Y308-L327 HydrophobicContact CD1-CD1 3.98Å; Y308-L327 HydrophobicContact CE1-CD1 3.72Å
328	Y	89.3	Confident	86.7	Confident	46 Å²	46	57.8 Å²	57.8	18%	0.18	32%	0.322	C	S	.	.			trans	-108.9	149.1	169.4	-63	-80.3	0	0	0	109.5	T326 F330 Q333 G335 F336	T326-Y328 HydrophobicContact CG2-CD2 4.47Å; T326-Y328 HydrophobicContact CG2-CE1 4.13Å; T326-Y328 HydrophobicContact CG2-CE2 4.05Å; Y328-F330 VanDerWaalsContact C-N 3.28Å; Y328-F330 PolarHBondContact O-N 3.25Å; Y328-Q333 HydrophobicContact CD2-CB 3.72Å; Y328-Q333 HydrophobicContact CD2-CG 4.05Å; Y328-Q333 HydrophobicContact CE2-CB 3.77Å; Y328-Q333 HydrophobicContact CE2-CG 4.19Å; Y328-Q333 HydrophobicContact CG-CB 4.16Å; Y328-G335 CarbonylContact C-O 3.46Å; Y328-G335 VanDerWaalsContact CA-O 3.27Å; Y328-G335 WeakPolarHBondContact CA-O 3.45Å; Y328-F336 HydrophobicContact CD1-CD1 4.32Å; Y328-F336 HydrophobicContact CD1-CE1 4.44Å; Y328-F336 HydrophobicContact CE1-CD1 4.36Å; Y328-F336 HydrophobicContact CE1-CE1 4.03Å
329	R	87.4	Confident	87.8	Confident	132 Å²	132	60.1 Å²	60.1	50%	0.498	33%	0.332	S	S	.	.	S	Bend	trans	-65.4	-33.4	174.3	-177	178.6	-174.4	151.1	13.4	112	G335 E338	R329-G335 PolarHBondContact N-O 2.87Å; R329-E338 IonicContact CZ-OE1 2.75Å; R329-E338 VanDerWaalsContact NH1-CD 3.35Å; R329-E338 IonicContact NH1-OE1 2.7Å; R329-E338 PolarHBondContact NH1-OE1 3.43Å; R329-E338 IonicContact NH2-OE1 3.55Å; R329-E338 PolarHBondContact NH2-OE1 3.34Å
330	F	83.6	Confident	88.3	Confident	111 Å²	111	63.4 Å²	63.4	49%	0.487	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-117.5	143.9	-174.4	-55.6	-60.7	0	0	0	111.6	Y328 N332 Q333 T334	Y328-F330 VanDerWaalsContact C-N 3.28Å; Y328-F330 PolarHBondContact O-N 3.25Å; F330-N332 WeakPolarHBondContact CB-OD1 3.4Å; F330-N332 PolarHBondContact O-N 3.01Å; F330-N332 VanDerWaalsContact O-N 3.16Å; F330-Q333 PolarHBondContact O-N 3.42Å; F330-T334 VanDerWaalsContact CD2-O 3.31Å; F330-T334 WeakPolarHBondContact CD2-O 3.1Å; F330-T334 PolarHBondContact N-O 2.84Å
331	S	79.9	Confident	88.8	Confident	134 Å²	134	59 Å²	59	94%	0.937	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.8	-176.3	52.9	0	0	0	0	114.3	Q333	S331-Q333 PolarHBondContact O-N 2.94Å
332	N	77.3	Confident	89.3	Confident	70 Å²	70	58.1 Å²	58.1	37%	0.374	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	5.7	172	71	-24	0	0	0	113.7	R162 F330 T334	R162-N332 VanDerWaalsContact CZ-O 3.28Å; R162-N332 PolarHBondContact NE-O 3.03Å; R162-N332 PolarHBondContact NH2-O 2.67Å; F330-N332 WeakPolarHBondContact CB-OD1 3.4Å; F330-N332 PolarHBondContact O-N 3.01Å; F330-N332 VanDerWaalsContact O-N 3.16Å; N332-T334 PolarHBondContact ND2-OG1 2.88Å; N332-T334 PolarHBondContact OD1-N 3.01Å; N332-T334 PolarHBondContact OD1-OG1 3.48Å
333	Q	81.4	Confident	89.5	Confident	85 Å²	85	57.5 Å²	57.5	40%	0.397	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	49	-176.7	-53.4	-178.9	34	0	0	113.8	R157 Y328 F330 S331	R157-Q333 PolarHBondContact NH1-O 2.95Å; R157-Q333 VanDerWaalsContact NH1-O 3.08Å; Y328-Q333 HydrophobicContact CD2-CB 3.72Å; Y328-Q333 HydrophobicContact CD2-CG 4.05Å; Y328-Q333 HydrophobicContact CE2-CB 3.77Å; Y328-Q333 HydrophobicContact CE2-CG 4.19Å; Y328-Q333 HydrophobicContact CG-CB 4.16Å; F330-Q333 PolarHBondContact O-N 3.42Å; S331-Q333 PolarHBondContact O-N 2.94Å
334	T	82.9	Confident	89.6	Confident	17 Å²	17	57.4 Å²	57.4	10%	0.104	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-133.8	158.7	170.3	64.9	0	0	0	0	111.1	R162 F330 N332	R162-T334 HydrophobicContact CG-CG2 3.65Å; F330-T334 VanDerWaalsContact CD2-O 3.31Å; F330-T334 WeakPolarHBondContact CD2-O 3.1Å; F330-T334 PolarHBondContact N-O 2.84Å; N332-T334 PolarHBondContact ND2-OG1 2.88Å; N332-T334 PolarHBondContact OD1-N 3.01Å; N332-T334 PolarHBondContact OD1-OG1 3.48Å
335	G	85.3	Confident	89.6	Confident	10 Å²	10	56.9 Å²	56.9	10%	0.103	31%	0.307	C	S	.	.			trans	71.6	127	-176.5	0	0	0	0	0	112.9	A159 Y328 R329	A159-G335 VanDerWaalsContact O-CA 3.23Å; A159-G335 WeakPolarHBondContact O-CA 3.37Å; A159-G335 PolarHBondContact O-N 2.81Å; Y328-G335 CarbonylContact C-O 3.46Å; Y328-G335 VanDerWaalsContact CA-O 3.27Å; Y328-G335 WeakPolarHBondContact CA-O 3.45Å; R329-G335 PolarHBondContact N-O 2.87Å
336	F	92.1	Very high	89.9	Confident	21 Å²	21	55.1 Å²	55.1	9%	0.092	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-80.1	166.2	166.4	-58.9	-26.5	0	0	0	110.6	A159 G304 Y328	A159-F336 HydrophobicContact CB-CB 4.47Å; A159-F336 HydrophobicContact CB-CD1 4.48Å; A159-F336 HydrophobicContact CB-CD2 3.66Å; A159-F336 HydrophobicContact CB-CE2 3.9Å; A159-F336 HydrophobicContact CB-CG 3.96Å; A159-F336 HydrophobicContact CB-CZ 4.39Å; G304-F336 WeakPolarHBondContact O-CB 3.41Å; G304-F336 WeakPolarHBondContact O-CD2 3.08Å; Y328-F336 HydrophobicContact CD1-CD1 4.32Å; Y328-F336 HydrophobicContact CD1-CE1 4.44Å; Y328-F336 HydrophobicContact CE1-CD1 4.36Å; Y328-F336 HydrophobicContact CE1-CE1 4.03Å
337	P	92.6	Very high	90.1	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.143	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-57.1	156.4	173.3	-27	38.8	0	0	0	112.7	W300 V306 A341	W300-P337 HydrophobicContact CH2-CB 4.12Å; V306-P337 HydrophobicContact CB-CG 4.04Å; V306-P337 HydrophobicContact CG2-CB 4.23Å; V306-P337 HydrophobicContact CG2-CG 3.74Å; P337-A341 HydrophobicContact CB-CB 4.22Å
338	E	92.9	Very high	90.3	Very high	93 Å²	93	51.8 Å²	51.8	44%	0.435	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-67.2	142.5	175.7	-64.4	-172.6	152	0	0	110.3	W300 R329 S340 A341	W300-E338 WeakPolarHBondContact CH2-O 3.44Å; R329-E338 IonicContact CZ-OE1 2.75Å; R329-E338 VanDerWaalsContact NH1-CD 3.35Å; R329-E338 IonicContact NH1-OE1 2.7Å; R329-E338 PolarHBondContact NH1-OE1 3.43Å; R329-E338 IonicContact NH2-OE1 3.55Å; R329-E338 PolarHBondContact NH2-OE1 3.34Å; E338-S340 PolarHBondContact O-N 3.12Å; E338-A341 WeakPolarHBondContact O-CB 3.25Å; E338-A341 PolarHBondContact O-N 2.81Å
339	P	94.4	Very high	90.6	Very high	77 Å²	77	54.2 Å²	54.2	50%	0.5	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.6	-178.5	-29.7	36.7	0	0	0	115.1	S264 F265 A341	S264-P339 WeakPolarHBondContact CB-O 3.5Å; F265-P339 HydrophobicContact CB-CB 3.98Å; F265-P339 PolarHBondContact N-O 2.99Å; P339-A341 VanDerWaalsContact C-N 3.34Å
340	S	93.9	Very high	90.6	Very high	85 Å²	85	51 Å²	51	59%	0.594	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.9	174.8	49.6	0	0	0	0	114.9	E338	E338-S340 PolarHBondContact O-N 3.12Å
341	A	94.5	Very high	90.7	Very high	29 Å²	29	47.2 Å²	47.2	24%	0.24	28%	0.279	C	S	.	.	S	Bend	trans	-71.6	140.2	178.9	0	0	0	0	0	111.4	W300 P337 E338 P339	W300-A341 HydrophobicContact CZ2-CB 4.24Å; W300-A341 VanDerWaalsContact CZ2-O 3.29Å; W300-A341 WeakPolarHBondContact CZ2-O 3.38Å; W300-A341 PolarHBondContact NE1-O 3.17Å; P337-A341 HydrophobicContact CB-CB 4.22Å; E338-A341 WeakPolarHBondContact O-CB 3.25Å; E338-A341 PolarHBondContact O-N 2.81Å; P339-A341 VanDerWaalsContact C-N 3.34Å
342	L	94.6	Very high	90.5	Very high	90 Å²	90	43.8 Å²	43.8	47%	0.471	26%	0.255	S	S	.	.			trans	-91.1	117.4	-178	-57.4	-178.3	0	0	0	110.8	Q262 L263	Q262-L342 HydrophobicContact CB-CB 3.97Å; L263-L342 WeakPolarHBondContact O-CA 3.48Å
343	H	94.1	Very high	89.9	Confident	33 Å²	33	51 Å²	51	15%	0.153	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-139.1	171	178.1	-64.6	-56.3	0	0	0	111	L263 W300 V306	L263-H343 PolarHBondContact N-O 2.9Å; L263-H343 PolarHBondContact O-N 3.11Å; W300-H343 AromaticContact CE2-CD2 3.97Å; W300-H343 AromaticContact CZ2-CD2 3.88Å; V306-H343 HydrophobicContact CG1-CB 4.13Å
344	D	94.6	Very high	89	Confident	11 Å²	11	51.7 Å²	51.7	6%	0.059	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-170.9	174.4	-66.7	3.1	0	0	0	110.2	Y256 Q262 S297 P298 G299 W300	Y256-D344 HydrophobicContact CE2-CB 3.85Å; Y256-D344 WeakPolarHBondContact CE2-OD2 3.47Å; Y256-D344 PolarHBondContact OH-OD2 3.1Å; Q262-D344 WeakPolarHBondContact CG-OD1 3.37Å; Q262-D344 PolarHBondContact NE2-OD1 2.83Å; S297-D344 WeakPolarHBondContact CB-OD2 3.31Å; S297-D344 PolarHBondContact OG-OD2 2.97Å; P298-D344 WeakPolarHBondContact O-CB 3.31Å; P298-D344 PolarHBondContact O-N 3.35Å; G299-D344 CarbonylContact C-O 3.52Å; G299-D344 WeakPolarHBondContact CA-O 3.41Å; W300-D344 PolarHBondContact N-O 2.74Å
345	V	95.4	Very high	88.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.1	-179.6	65.6	0	0	0	0	112.2	V259 L263 A268 Y271 C272 L279	V259-V345 HydrophobicContact CG2-CG1 4.24Å; L263-V345 HydrophobicContact CD1-CG1 4.4Å; A268-V345 HydrophobicContact CB-CB 4.14Å; A268-V345 HydrophobicContact CB-CG2 3.84Å; Y271-V345 HydrophobicContact CD1-CG1 3.75Å; Y271-V345 HydrophobicContact CE1-CG1 4.03Å; C272-V345 WeakPolarHBondContact SG-CG2 3.29Å; L279-V345 HydrophobicContact CD2-CG2 3.51Å
346	Y	96.8	Very high	86.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.4	166.4	-67.4	-86.8	0	0	0	108.3	V254 Y256 A280 L285 L293 R295 S297 W300 L301 R307 P309	V254-Y346 HydrophobicContact CG1-CD1 4.32Å; Y256-Y346 HydrophobicContact CD2-CD1 4.4Å; Y256-Y346 AromaticContact CD2-CE1 3.86Å; Y256-Y346 HydrophobicContact CD2-CE1 3.86Å; Y256-Y346 HydrophobicContact CD2-CE2 4.49Å; Y256-Y346 AromaticContact CD2-CZ 3.89Å; Y256-Y346 HydrophobicContact CG-CE1 4.22Å; A280-Y346 WeakPolarHBondContact CB-O 3.5Å; A280-Y346 PolarHBondContact N-O 3.45Å; L285-Y346 HydrophobicContact CD1-CD1 3.72Å; L285-Y346 HydrophobicContact CD1-CE1 4.08Å; L285-Y346 HydrophobicContact CD1-CG 3.98Å; L293-Y346 HydrophobicContact CD2-CD1 4.45Å; L293-Y346 HydrophobicContact CD2-CE1 4.44Å; R295-Y346 HydrophobicContact CB-CE1 4.32Å; R295-Y346 VanDerWaalsContact CB-OH 3.23Å; R295-Y346 WeakPolarHBondContact CB-OH 3.48Å; R295-Y346 HydrophobicContact CG-CE1 4.36Å; S297-Y346 PolarHBondContact O-OH 2.84Å; W300-Y346 PolarHBondContact O-N 3Å; L301-Y346 HydrophobicContact CD2-CG 4.49Å; R307-Y346 WeakPolarHBondContact O-CE2 3.38Å; P309-Y346 WeakPolarHBondContact CD-OH 3.5Å; P309-Y346 HydrophobicContact CG-CE1 4.35Å
347	C	96.6	Very high	85.2	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.014	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.1	178.4	-61.3	0	0	0	0	110.4	V254 F255 C272 A277 Q278	V254-C347 CarbonylContact C-O 3.55Å; V254-C347 WeakPolarHBondContact CA-O 3.21Å; F255-C347 HydrophobicContact CD1-CB 4Å; F255-C347 WeakPolarHBondContact CD1-O 3.48Å; F255-C347 HydrophobicContact CD2-CB 4.33Å; F255-C347 HydrophobicContact CE1-CB 3.4Å; F255-C347 HydrophobicContact CE2-CB 3.8Å; F255-C347 HydrophobicContact CG-CB 4.43Å; F255-C347 HydrophobicContact CZ-CB 3.31Å; F255-C347 PolarHBondContact N-O 2.76Å; F255-C347 PolarHBondContact O-N 2.73Å; C272-C347 WeakPolarHBondContact CA-SG 3.1Å; C272-C347 HydrophobicContact CB-CB 3.85Å; C272-C347 WeakPolarHBondContact CB-SG 3.23Å; C272-C347 VanDerWaalsContact SG-CA 3.51Å; C272-C347 WeakPolarHBondContact SG-CB 3.4Å; C272-C347 CovalentContact SG-SG 2.04Å; C272-C347 PolarHBondContact SG-SG 2.86Å; A277-C347 HydrophobicContact CB-CB 4.16Å; Q278-C347 CarbonylContact O-C 3.54Å; Q278-C347 VanDerWaalsContact O-CA 3.25Å; Q278-C347 WeakPolarHBondContact O-CA 3.12Å
348	F	96.8	Very high	83.7	Confident	20 Å²	20	65.6 Å²	65.6	9%	0.088	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.1	172.5	176.6	-101.5	0	0	0	111	I250 H251 V254 A277 Q278 A280 Q284 A350	I250-F348 HydrophobicContact CB-CE2 4.25Å; I250-F348 HydrophobicContact CD1-CE2 4.31Å; H251-F348 WeakPolarHBondContact O-CZ 3.48Å; V254-F348 HydrophobicContact CG2-CD2 3.91Å; A277-F348 WeakPolarHBondContact CB-O 3.31Å; Q278-F348 PolarHBondContact N-O 3.2Å; Q278-F348 PolarHBondContact O-N 2.96Å; A280-F348 HydrophobicContact CB-CB 4Å; Q284-F348 HydrophobicContact CB-CD2 4.42Å; Q284-F348 HydrophobicContact CG-CD2 4.22Å; Q284-F348 HydrophobicContact CG-CE2 4.33Å; F348-A350 HydrophobicContact CE1-CB 4.23Å
349	K	94.8	Very high	82	Confident	97 Å²	97	65.1 Å²	65.1	42%	0.422	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.5	174.4	-160.6	149.6	-170.9	156.7	0	110.4	G252 K253 F255 A275 G276 A277	G252-K349 WeakPolarHBondContact CA-O 3.5Å; K253-K349 PolarHBondContact N-O 3.38Å; K253-K349 PolarHBondContact O-N 3.05Å; F255-K349 HydrophobicContact CD1-CB 4.38Å; F255-K349 HydrophobicContact CE1-CB 3.94Å; A275-K349 PolarHBondContact O-NZ 3.41Å; G276-K349 WeakPolarHBondContact O-CE 3.47Å; G276-K349 PolarHBondContact O-NZ 3.11Å; A277-K349 HydrophobicContact CB-CB 4.41Å
350	A	88	Confident	80.1	Confident	64 Å²	64	69.7 Å²	69.7	53%	0.529	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.5	150.4	171.2	0	0	0	0	0	111.1	F348	F348-A350 HydrophobicContact CE1-CB 4.23Å
351	P	85	Confident	78.2	Confident	32 Å²	32	73.7 Å²	73.7	21%	0.208	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-65.3	152.7	175.1	28.3	-35.8	0	0	0	110.9	H251 T355 L356	H251-P351 WeakPolarHBondContact O-CD 3.34Å; P351-T355 HydrophobicContact CB-CG2 4.03Å; P351-L356 HydrophobicContact CB-CG 4.47Å; P351-L356 HydrophobicContact CG-CD1 4.43Å; P351-L356 HydrophobicContact CG-CD2 3.65Å; P351-L356 HydrophobicContact CG-CG 3.83Å
352	S	76	Confident	76.1	Confident	61 Å²	61	76.1 Å²	76.1	43%	0.427	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-59.9	152.7	179.7	80.7	0	0	0	0	111.8	T354 T355 L356	S352-T354 PolarHBondContact O-N 3.28Å; S352-T354 VanDerWaalsContact O-N 3.17Å; S352-T355 WeakPolarHBondContact O-CA 3.48Å; S352-T355 WeakPolarHBondContact O-CB 3.5Å; S352-T355 PolarHBondContact O-N 2.84Å; S352-T355 PolarHBondContact OG-N 3.45Å; S352-T355 VanDerWaalsContact OG-N 3.07Å; S352-T355 PolarHBondContact OG-OG1 3.14Å; S352-L356 PolarHBondContact O-N 3.08Å
353	R	65.8	Low	73.9	Confident	223 Å²	223	79 Å²	79	84%	0.842	38%	0.381	S	S	*	.	H	α-helix	trans	-52.1	-38.4	174	-81.3	-176	169.9	177.5	-3.2	112.1	L356 Q357	R353-L356 PolarHBondContact O-N 2.9Å; R353-Q357 WeakPolarHBondContact O-CB 3.43Å; R353-Q357 PolarHBondContact O-N 3.03Å
354	T	62.2	Low	71.6	Confident	99 Å²	99	84.3 Å²	84.3	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-62	-45	174.7	-43.2	0	0	0	0	112	S352 Q357 I358	S352-T354 PolarHBondContact O-N 3.28Å; S352-T354 VanDerWaalsContact O-N 3.17Å; T354-Q357 PolarHBondContact O-N 3.4Å; T354-I358 HydrophobicContact CG2-CD1 4.35Å; T354-I358 WeakPolarHBondContact O-CG1 3.43Å; T354-I358 PolarHBondContact O-N 2.04Å
355	T	62.7	Low	69.1	Low	63 Å²	63	88.1 Å²	88.1	39%	0.387	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-45.4	176.9	-49.4	0	0	0	0	111.2	P351 S352 Q357 I358 M359	P351-T355 HydrophobicContact CB-CG2 4.03Å; S352-T355 WeakPolarHBondContact O-CA 3.48Å; S352-T355 WeakPolarHBondContact O-CB 3.5Å; S352-T355 PolarHBondContact O-N 2.84Å; S352-T355 PolarHBondContact OG-N 3.45Å; S352-T355 VanDerWaalsContact OG-N 3.07Å; S352-T355 PolarHBondContact OG-OG1 3.14Å; T355-Q357 VanDerWaalsContact C-N 3.35Å; T355-Q357 PolarHBondContact O-N 2.98Å; T355-I358 PolarHBondContact O-N 3.17Å; T355-M359 WeakPolarHBondContact O-CG 3.42Å; T355-M359 PolarHBondContact O-N 3.4Å
356	L	59	Low	66.7	Low	57 Å²	57	96 Å²	96	30%	0.298	45%	0.451	S	S	.	.	H	α-helix	trans	-58.2	-46.5	174.9	-74.1	168.6	0	0	0	111.3	P351 S352 R353 I358 M359 Y360	P351-L356 HydrophobicContact CB-CG 4.47Å; P351-L356 HydrophobicContact CG-CD1 4.43Å; P351-L356 HydrophobicContact CG-CD2 3.65Å; P351-L356 HydrophobicContact CG-CG 3.83Å; S352-L356 PolarHBondContact O-N 3.08Å; R353-L356 PolarHBondContact O-N 2.9Å; L356-I358 VanDerWaalsContact C-N 3.3Å; L356-I358 PolarHBondContact O-N 3.11Å; L356-M359 WeakPolarHBondContact O-CB 3.46Å; L356-M359 PolarHBondContact O-N 3.15Å; L356-Y360 VanDerWaalsContact O-CD2 3.26Å; L356-Y360 WeakPolarHBondContact O-CD2 3.34Å; L356-Y360 PolarHBondContact O-N 3.04Å
357	Q	58.2	Low	64.1	Low	150 Å²	150	99.7 Å²	99.7	70%	0.701	47%	0.473	S	S	*	.	H	α-helix	trans	-67.5	-30.7	-178	-162	157.9	2.3	0	0	112.7	R353 T354 T355 R361	R353-Q357 WeakPolarHBondContact O-CB 3.43Å; R353-Q357 PolarHBondContact O-N 3.03Å; T354-Q357 PolarHBondContact O-N 3.4Å; T355-Q357 VanDerWaalsContact C-N 3.35Å; T355-Q357 PolarHBondContact O-N 2.98Å; Q357-R361 WeakPolarHBondContact O-CB 3.34Å; Q357-R361 PolarHBondContact O-N 3.38Å; Q357-R361 VanDerWaalsContact O-N 3.14Å
358	I	62.1	Low	61.3	Low	91 Å²	91	103 Å²	103	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-67.5	-44.5	167.4	-66.8	163.3	0	0	0	110.8	T354 T355 L356 R361 N362	T354-I358 HydrophobicContact CG2-CD1 4.35Å; T354-I358 WeakPolarHBondContact O-CG1 3.43Å; T354-I358 PolarHBondContact O-N 2.04Å; T355-I358 PolarHBondContact O-N 3.17Å; L356-I358 VanDerWaalsContact C-N 3.3Å; L356-I358 PolarHBondContact O-N 3.11Å; I358-R361 WeakPolarHBondContact O-CB 3.24Å; I358-R361 PolarHBondContact O-N 2.87Å; I358-N362 WeakPolarHBondContact O-CB 3.08Å; I358-N362 PolarHBondContact O-N 3.35Å; I358-N362 PolarHBondContact O-OD1 2.69Å
359	M	56.3	Low	58.6	Low	83 Å²	83	107.4 Å²	107.4	41%	0.409	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-43.7	178.8	-62.3	-124.5	-65	0	0	112.6	T355 L356 R361 N362 K363	T355-M359 WeakPolarHBondContact O-CG 3.42Å; T355-M359 PolarHBondContact O-N 3.4Å; L356-M359 WeakPolarHBondContact O-CB 3.46Å; L356-M359 PolarHBondContact O-N 3.15Å; M359-R361 VanDerWaalsContact C-N 3.33Å; M359-R361 PolarHBondContact O-N 3.47Å; M359-N362 PolarHBondContact O-N 2.91Å; M359-K363 WeakPolarHBondContact O-CB 3.22Å; M359-K363 PolarHBondContact O-N 3.35Å
360	Y	54.6	Low	55.6	Low	173 Å²	173	111 Å²	111	68%	0.678	53%	0.53	S	S	*	.	H	α-helix	trans	-63.2	-38.1	174.8	-83.1	-72.9	0	0	0	112.2	L356 K364	L356-Y360 VanDerWaalsContact O-CD2 3.26Å; L356-Y360 WeakPolarHBondContact O-CD2 3.34Å; L356-Y360 PolarHBondContact O-N 3.04Å; Y360-K364 PolarHBondContact O-N 3.5Å
361	R	54.1	Low	53	Low	170 Å²	170	114.5 Å²	114.5	64%	0.642	54%	0.535	S	S	*	.	H	α-helix	trans	-63.2	-49.3	173.6	-176.2	174.7	-174.8	144	2.1	111.5	Q357 I358 M359 K363 K364 E365	Q357-R361 WeakPolarHBondContact O-CB 3.34Å; Q357-R361 PolarHBondContact O-N 3.38Å; Q357-R361 VanDerWaalsContact O-N 3.14Å; I358-R361 WeakPolarHBondContact O-CB 3.24Å; I358-R361 PolarHBondContact O-N 2.87Å; M359-R361 VanDerWaalsContact C-N 3.33Å; M359-R361 PolarHBondContact O-N 3.47Å; R361-K363 VanDerWaalsContact C-N 3.32Å; R361-K363 PolarHBondContact O-N 2.63Å; R361-K364 WeakPolarHBondContact O-CB 3.44Å; R361-K364 PolarHBondContact O-N 2.79Å; R361-K364 VanDerWaalsContact O-N 3.13Å; R361-E365 WeakPolarHBondContact CG-OE1 3.43Å; R361-E365 IonicContact NE-OE1 2.84Å; R361-E365 PolarHBondContact NE-OE1 3.27Å; R361-E365 VanDerWaalsContact NE-OE1 3.11Å; R361-E365 PolarHBondContact O-N 2.84Å
362	N	50.6	Low	50.4	Low	79 Å²	79	118.5 Å²	118.5	42%	0.422	56%	0.555	S	S	.	*	H	α-helix	trans	-64.8	-34.6	179.2	-64.7	3.1	0	0	0	112.1	I358 M359 E365 R366	I358-N362 WeakPolarHBondContact O-CB 3.08Å; I358-N362 PolarHBondContact O-N 3.35Å; I358-N362 PolarHBondContact O-OD1 2.69Å; M359-N362 PolarHBondContact O-N 2.91Å; N362-E365 PolarHBondContact O-N 2.88Å; N362-R366 WeakPolarHBondContact O-CG 3.48Å; N362-R366 PolarHBondContact O-N 2.73Å
363	K	47.4	Very low	48.2	Very low	151 Å²	151	122.6 Å²	122.6	66%	0.657	57%	0.572	S	S	*	*	H	α-helix	trans	-65.5	-40.2	173	-170.7	166.9	-177	170.7	0	111.3	M359 R361 R366 V367	M359-K363 WeakPolarHBondContact O-CB 3.22Å; M359-K363 PolarHBondContact O-N 3.35Å; R361-K363 VanDerWaalsContact C-N 3.32Å; R361-K363 PolarHBondContact O-N 2.63Å; K363-R366 PolarHBondContact O-N 3.22Å; K363-V367 WeakPolarHBondContact O-CG2 3.03Å; K363-V367 PolarHBondContact O-N 3.35Å
364	K	45.8	Very low	46.7	Very low	145 Å²	145	119.1 Å²	119.1	63%	0.63	57%	0.569	S	S	*	*	H	α-helix	trans	-66.2	-40	174.3	-168.9	169.1	-175	171.1	0	112.4	Y360 R361 V367 N368	Y360-K364 PolarHBondContact O-N 3.5Å; R361-K364 WeakPolarHBondContact O-CB 3.44Å; R361-K364 PolarHBondContact O-N 2.79Å; R361-K364 VanDerWaalsContact O-N 3.13Å; K364-V367 PolarHBondContact O-N 2.81Å; K364-N368 PolarHBondContact O-N 2.85Å; K364-N368 PolarHBondContact O-OD1 2.91Å
365	E	43.7	Very low	45	Very low	90 Å²	90	120.2 Å²	120.2	42%	0.421	58%	0.575	S	S	.	*	H	α-helix	trans	-66.6	-37.1	175.4	-71.9	170.2	-165	0	0	111.6	R361 N362 N368 I369	R361-E365 WeakPolarHBondContact CG-OE1 3.43Å; R361-E365 IonicContact NE-OE1 2.84Å; R361-E365 PolarHBondContact NE-OE1 3.27Å; R361-E365 VanDerWaalsContact NE-OE1 3.11Å; R361-E365 PolarHBondContact O-N 2.84Å; N362-E365 PolarHBondContact O-N 2.88Å; E365-N368 PolarHBondContact O-N 3.29Å; E365-I369 WeakPolarHBondContact O-CG1 3.4Å; E365-I369 PolarHBondContact O-N 3.18Å; E365-I369 VanDerWaalsContact O-N 3.15Å
366	R	44.7	Very low	43.4	Very low	167 Å²	167	125 Å²	125	63%	0.63	60%	0.598	S	S	*	*	H	α-helix	trans	-64.8	-42.9	170.9	-76	-174.5	179.3	-167.8	-1.4	113.6	N362 K363 N368 I369 F370	N362-R366 WeakPolarHBondContact O-CG 3.48Å; N362-R366 PolarHBondContact O-N 2.73Å; K363-R366 PolarHBondContact O-N 3.22Å; R366-N368 VanDerWaalsContact C-N 3.32Å; R366-N368 PolarHBondContact O-N 2.93Å; R366-I369 PolarHBondContact O-N 3.4Å; R366-I369 VanDerWaalsContact O-N 3.14Å; R366-F370 PolarHBondContact O-N 3.38Å
367	V	42.7	Very low	42	Very low	76 Å²	76	129.2 Å²	129.2	46%	0.461	62%	0.621	S	S	.	*	H	α-helix	trans	-61.6	-41.5	175.9	170.1	0	0	0	0	111	K363 K364 I369 F370 Q371	K363-V367 WeakPolarHBondContact O-CG2 3.03Å; K363-V367 PolarHBondContact O-N 3.35Å; K364-V367 PolarHBondContact O-N 2.81Å; V367-I369 VanDerWaalsContact C-N 3.28Å; V367-I369 PolarHBondContact O-N 3.25Å; V367-F370 PolarHBondContact O-N 3.16Å; V367-Q371 PolarHBondContact O-N 2.83Å
368	N	37.4	Very low	40.5	Very low	72 Å²	72	129.8 Å²	129.8	39%	0.385	63%	0.629	S	S	.	*	H	α-helix	trans	-63.5	-29.9	175	-73.4	13.8	0	0	0	113.2	K364 E365 R366 Q371 N372	K364-N368 PolarHBondContact O-N 2.85Å; K364-N368 PolarHBondContact O-OD1 2.91Å; E365-N368 PolarHBondContact O-N 3.29Å; R366-N368 VanDerWaalsContact C-N 3.32Å; R366-N368 PolarHBondContact O-N 2.93Å; N368-Q371 PolarHBondContact O-N 2.97Å; N368-N372 PolarHBondContact O-N 3.2Å; N368-N372 PolarHBondContact O-ND2 2.63Å
369	I	39	Very low	39.2	Very low	113 Å²	113	130.2 Å²	130.2	58%	0.579	64%	0.638	S	S	*	*	H	α-helix	trans	-68	-42.1	176.8	-72.3	163.2	0	0	0	110.9	E365 R366 V367 Q371 N372	E365-I369 WeakPolarHBondContact O-CG1 3.4Å; E365-I369 PolarHBondContact O-N 3.18Å; E365-I369 VanDerWaalsContact O-N 3.15Å; R366-I369 PolarHBondContact O-N 3.4Å; R366-I369 VanDerWaalsContact O-N 3.14Å; V367-I369 VanDerWaalsContact C-N 3.28Å; V367-I369 PolarHBondContact O-N 3.25Å; I369-Q371 VanDerWaalsContact C-N 3.3Å; I369-Q371 PolarHBondContact O-N 2.84Å; I369-N372 PolarHBondContact O-N 2.81Å
370	F	32.9	Very low	37.8	Very low	173 Å²	173	136.3 Å²	136.3	76%	0.759	66%	0.662	S	S	*	*	H	α-helix	trans	-65.5	-29.9	175.5	-83.5	-84.5	0	0	0	113.3	R366 V367	R366-F370 PolarHBondContact O-N 3.38Å; V367-F370 PolarHBondContact O-N 3.16Å
371	Q	32.9	Very low	36.6	Very low	136 Å²	136	134 Å²	134	64%	0.636	67%	0.671	S	S	*	*	H	α-helix	trans	-78.2	-17.1	177.4	-68.9	-172.1	-48.1	0	0	114.4	V367 N368 I369	V367-Q371 PolarHBondContact O-N 2.83Å; N368-Q371 PolarHBondContact O-N 2.97Å; I369-Q371 VanDerWaalsContact C-N 3.3Å; I369-Q371 PolarHBondContact O-N 2.84Å
372	N	29.9	Very low	35.3	Very low	116 Å²	116	135.2 Å²	135.2	62%	0.62	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-7.9	-171.7	-78.1	-14.9	0	0	0	115.3	N368 I369	N368-N372 PolarHBondContact O-N 3.2Å; N368-N372 PolarHBondContact O-ND2 2.63Å; I369-N372 PolarHBondContact O-N 2.81Å
373	N	30.9	Very low	34.2	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	2.6	178.5	-84.8	14.1	0	0	0	114.2
374	I	32.8	Very low	33.1	Very low	149 Å²	149	143.8 Å²	143.8	76%	0.764	72%	0.716	S	S	*	*			trans	-108.9	86.7	174.5	-53.7	-179.9	0	0	0	109.5
375	T	27.5	Very low	32.1	Very low	122 Å²	122	146.4 Å²	146.4	75%	0.748	73%	0.728	S	S	*	*			trans	-131.4	87.2	170.8	51	0	0	0	0	111.9
376	L	29.3	Very low	31.2	Very low	165 Å²	165	150.5 Å²	150.5	86%	0.864	75%	0.751	S	S	*	*			trans	-117.7	94	159.5	-85.3	170.5	0	0	0	109.9
377	N	29.3	Very low	30.4	Very low	144 Å²	144	147.3 Å²	147.3	77%	0.77	76%	0.761	S	S	*	*			trans	26	101.7	154.1	-58.8	-28.3	0	0	0	119.8
378	N	27.3	Very low	29.5	Very low	162 Å²	162	147.3 Å²	147.3	87%	0.866	78%	0.776	S	S	*	*			trans	-160.4	161	135.5	-104.8	-27.3	0	0	0	111.3
379	P	35	Very low	29.1	Very low	101 Å²	101	153.1 Å²	153.1	66%	0.656	80%	0.801	S	S	*	*			trans	-132.1	89.9	-135.5	35.3	-14.2	0	0	0	115.1
380	F	25.4	Very low	28.5	Very low	210 Å²	210	151.2 Å²	151.2	92%	0.921	81%	0.809	S	S	*	*			trans	-133.2	51.5	173	-95.7	-76.3	0	0	0	114.8	K382	F380-K382 PolarHBondContact O-N 3.28Å
381	S	29.4	Very low	28.2	Very low	125 Å²	125	151.7 Å²	151.7	87%	0.874	81%	0.813	S	S	*	*			trans	-81.8	63.4	178.1	51.5	0	0	0	0	114.1
382	K	28.1	Very low	27.7	Very low	195 Å²	195	151.8 Å²	151.8	85%	0.848	82%	0.823	S	S	*	*			trans	-154.4	90.3	176.2	-143.7	172	-167.9	173.3	0	118.1	F380	F380-K382 PolarHBondContact O-N 3.28Å
383	L	26	Very low	27.6	Very low	177 Å²	177	155.2 Å²	155.2	93%	0.927	83%	0.833	S	S	*	*			trans	-156.2	143.2	134.8	-110	157.8	0	0	0	109.9
384	R	26.1	Very low	27.2	Very low	233 Å²	233	155.1 Å²	155.1	88%	0.879	84%	0.838	S	S	*	*			trans	-95.4	145.1	-175.7	-79.3	-176.7	175.7	167.1	-2	111.5
385	F	24.3	Very low	26.9	Very low	201 Å²	201	157.1 Å²	157.1	88%	0.882	84%	0.844	S	S	*	*			trans	-56.7	145.8	157.2	-73.9	-99.7	0	0	0	111.3
386	L	25.1	Very low	26.8	Very low	175 Å²	175	156.7 Å²	156.7	92%	0.916	85%	0.846	S	S	*	*			trans	-124.6	134.9	152.2	-72.5	176.3	0	0	0	107.7
387	A	27.7	Very low	27.3	Very low	101 Å²	101	154.8 Å²	154.8	84%	0.835	84%	0.843	S	S	*	*			trans	-99.2	150.7	-176.5	0	0	0	0	0	111.9
388	G	23.3	Very low	27.2	Very low	76 Å²	76	154.3 Å²	154.3	78%	0.784	85%	0.846	S	S	*	*			trans	-149.9	87.5	-176.5	0	0	0	0	0	113.3
389	H	29.7	Very low	27.1	Very low	194 Å²	194	153.5 Å²	153.5	90%	0.898	84%	0.841	S	S	*	*			trans	-29	148.8	173.3	-56.3	80.4	0	0	0	119.3
390	G	24.6	Very low	26.8	Very low	72 Å²	72	156.5 Å²	156.5	74%	0.742	85%	0.846	S	S	*	*			trans	155.2	100.2	150.3	0	0	0	0	0	117.2
391	E	26.4	Very low	26.7	Very low	184 Å²	184	153.5 Å²	153.5	86%	0.86	84%	0.839	S	S	*	*			trans	24.4	145.8	136.7	-66.4	168.2	-172.4	0	0	120.9
392	T	24.1	Very low	26.6	Very low	137 Å²	137	154.3 Å²	154.3	84%	0.84	83%	0.832	S	S	*	*			cis	-159.1	178.8	14.7	-4.8	0	0	0	0	112.2
393	F	27.1	Very low	26.4	Very low	189 Å²	189	151.6 Å²	151.6	83%	0.829	83%	0.832	S	S	*	*			trans	-76.7	145.7	178.3	-111.1	-108.3	0	0	0	115.4
394	T	22.4	Very low	26.5	Very low	146 Å²	146	152.2 Å²	152.2	90%	0.896	83%	0.83	S	S	*	*			trans	-159.5	165.9	140.9	29.6	0	0	0	0	110.6
395	E	26.2	Very low	26.5	Very low	190 Å²	190	145.9 Å²	145.9	89%	0.888	83%	0.828	S	S	*	*			trans	-98.7	178.7	-165.6	-63.4	-178.3	110.4	0	0	116
396	S	26.9	Very low	26.7	Very low	114 Å²	114	145.5 Å²	145.5	80%	0.797	83%	0.829	S	S	*	*			trans	-63.6	173	174.4	-102.5	0	0	0	0	114.5
397	P	38.6	Very low	26.8	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	82%	0.82	S	S	*	*			cis	-127.6	179.2	22.2	41.7	-26.2	0	0	0	116.3
398	V	27	Very low	26.8	Very low	135 Å²	135	146.7 Å²	146.7	82%	0.818	82%	0.821	S	S	*	*			trans	-126.2	131.1	173.7	177.5	0	0	0	0	108.8
399	D	25.6	Very low	27.1	Very low	145 Å²	145	150.9 Å²	150.9	78%	0.775	82%	0.821	S	S	*	*			trans	-133.4	140.1	159.2	-105.1	-42.9	0	0	0	110.2
400	H	28.5	Very low	27	Very low	163 Å²	163	150.3 Å²	150.3	76%	0.755	82%	0.818	S	S	*	*			trans	-16.9	141	170.5	-59.4	-82.8	0	0	0	118.4
401	L	24.7	Very low	27	Very low	147 Å²	147	153.6 Å²	153.6	77%	0.77	82%	0.819	S	S	*	*				-167	150.2	64.5	-83.2	168	0	0	0	114
402	I	26.6	Very low	26.9	Very low	142 Å²	142	151 Å²	151	73%	0.728	82%	0.815	S	S	*	*			trans	27.4	120.2	143.1	-50.5	171.4	0	0	0	119.7
403	T	24.1	Very low	26.9	Very low	139 Å²	139	149.4 Å²	149.4	85%	0.853	81%	0.805	S	S	*	*			trans	-139	143.9	130.8	44.7	0	0	0	0	109.8
404	E	28.5	Very low	26.9	Very low	189 Å²	189	146.9 Å²	146.9	88%	0.883	80%	0.799	S	S	*	*			trans	-70.5	158.6	174.3	-61	164.1	138.8	0	0	111.4
405	A	25.6	Very low	27	Very low	101 Å²	101	146.9 Å²	146.9	84%	0.835	79%	0.792	S	S	*	*			trans	-139.6	130.1	169.1	0	0	0	0	0	109.4
406	E	27.1	Very low	27.2	Very low	192 Å²	192	144.4 Å²	144.4	90%	0.897	78%	0.782	S	S	*	*			trans	-77.8	161.8	-172.8	-66.5	179.6	110.5	0	0	113.6	L408	E406-L408 PolarHBondContact O-N 2.58Å
407	N	28.3	Very low	27.7	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	79%	0.785	S	S	*	*			trans	-51.1	116.6	172.9	176	13.9	0	0	0	112.8
408	L	27.3	Very low	27.9	Very low	164 Å²	164	149.1 Å²	149.1	86%	0.859	78%	0.775	S	S	*	*			trans	-125.8	121	161.2	-88.8	172	0	0	0	110.2	E406 E410	E406-L408 PolarHBondContact O-N 2.58Å; L408-E410 PolarHBondContact O-N 3.38Å
409	Q	31	Very low	28.2	Very low	164 Å²	164	151 Å²	151	77%	0.766	78%	0.775	S	S	*	*			trans	-77.5	111.8	175	-61.4	167.1	-94.7	0	0	109.9
410	E	27.2	Very low	28.8	Very low	182 Å²	182	151.9 Å²	151.9	85%	0.85	77%	0.774	S	S	*	*			trans	-107.3	127.7	157	-75.2	-156.6	130.2	0	0	110.4	L408 V412	L408-E410 PolarHBondContact O-N 3.38Å; E410-V412 PolarHBondContact O-N 3.09Å; E410-V412 VanDerWaalsContact O-N 3.14Å
411	N	25.1	Very low	29.2	Very low	140 Å²	140	150 Å²	150	75%	0.749	77%	0.765	S	S	*	*			trans	-76.3	101.3	-179.4	-61.7	-67.9	0	0	0	109.7	V413	N411-V413 HydrophobicContact CB-CG2 3.95Å; N411-V413 PolarHBondContact O-N 3.23Å
412	V	23.5	Very low	29.9	Very low	129 Å²	129	147.8 Å²	147.8	78%	0.782	75%	0.753	S	S	*	*			trans	-70.7	81.9	160.9	-176.6	0	0	0	0	107.7	E410 I414	E410-V412 PolarHBondContact O-N 3.09Å; E410-V412 VanDerWaalsContact O-N 3.14Å; V412-I414 VanDerWaalsContact C-N 3.34Å; V412-I414 HydrophobicContact CG1-CG1 4.05Å; V412-I414 PolarHBondContact O-N 3.27Å
413	V	24.2	Very low	30.4	Very low	104 Å²	104	146.8 Å²	146.8	63%	0.63	75%	0.746	S	S	*	*			trans	-70.9	93.7	171.3	-175.1	0	0	0	0	107.7	N411 L415	N411-V413 HydrophobicContact CB-CG2 3.95Å; N411-V413 PolarHBondContact O-N 3.23Å; V413-L415 VanDerWaalsContact C-N 3.25Å; V413-L415 HydrophobicContact CG1-CD2 3.79Å; V413-L415 HydrophobicContact CG1-CG 3.99Å; V413-L415 PolarHBondContact O-N 2.96Å
414	I	25.8	Very low	30.9	Very low	137 Å²	137	145.8 Å²	145.8	70%	0.703	73%	0.734	S	S	*	*			trans	-69.4	91.2	165.6	-56.1	-179.4	0	0	0	107	V412 M416	V412-I414 VanDerWaalsContact C-N 3.34Å; V412-I414 HydrophobicContact CG1-CG1 4.05Å; V412-I414 PolarHBondContact O-N 3.27Å; I414-M416 VanDerWaalsContact C-N 3.3Å; I414-M416 HydrophobicContact CG2-CG 3.95Å; I414-M416 PolarHBondContact O-N 3.22Å
415	L	25.8	Very low	31.5	Very low	145 Å²	145	140.7 Å²	140.7	76%	0.759	71%	0.713	S	S	*	*			trans	-67.8	91.4	165.2	-68.2	177.1	0	0	0	107.9	V413 E417	V413-L415 VanDerWaalsContact C-N 3.25Å; V413-L415 HydrophobicContact CG1-CD2 3.79Å; V413-L415 HydrophobicContact CG1-CG 3.99Å; V413-L415 PolarHBondContact O-N 2.96Å; L415-E417 PolarHBondContact O-N 2.84Å
416	M	30.3	Very low	32.7	Very low	138 Å²	138	141.6 Å²	141.6	68%	0.68	70%	0.7	S	S	*	*			trans	-69.2	113.8	165.9	-65.3	-160.6	-61.8	0	0	108.5	I414 R418	I414-M416 VanDerWaalsContact C-N 3.3Å; I414-M416 HydrophobicContact CG2-CG 3.95Å; I414-M416 PolarHBondContact O-N 3.22Å; M416-R418 PolarHBondContact O-N 3.01Å
417	E	38.1	Very low	33.5	Very low	184 Å²	184	136.7 Å²	136.7	86%	0.86	68%	0.68	S	S	*	*			trans	-70.1	74.8	179.3	-65.8	-177.2	118.9	0	0	111.2	L415 E419	L415-E417 PolarHBondContact O-N 2.84Å; E417-E419 PolarHBondContact O-N 2.65Å
418	R	41.1	Very low	34.4	Very low	153 Å²	153	136 Å²	136	58%	0.577	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	14	-169.4	-139.5	-179.9	-163.3	174.8	7.5	115.7	M416	M416-R418 PolarHBondContact O-N 3.01Å
419	E	34.7	Very low	35.6	Very low	175 Å²	175	133.8 Å²	133.8	82%	0.818	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-14.2	179.3	-65	-168.9	142.9	0	0	113.5	E417	E417-E419 PolarHBondContact O-N 2.65Å
420	Q	38.4	Very low	36.7	Very low	164 Å²	164	130.2 Å²	130.2	77%	0.766	64%	0.639	S	S	*	*	H	α-helix	trans	-91.2	-34.8	-179.4	-67.4	-169	-6.1	0	0	114.2	I422 H423 L424	Q420-I422 VanDerWaalsContact C-N 3.34Å; Q420-I422 PolarHBondContact O-N 3.29Å; Q420-H423 PolarHBondContact O-N 2.87Å; Q420-L424 PolarHBondContact O-N 2.92Å
421	E	36	Very low	38.1	Very low	122 Å²	122	125.8 Å²	125.8	57%	0.57	62%	0.624	S	S	*	*	H	α-helix	trans	-62.2	-39.7	177.9	-66.7	-176.2	125.2	0	0	112.6	H423 L424 N425	E421-H423 VanDerWaalsContact C-N 3.33Å; E421-H423 PolarHBondContact O-N 3.48Å; E421-L424 PolarHBondContact O-N 3.33Å; E421-N425 PolarHBondContact O-N 3.42Å
422	I	40.4	Very low	39.5	Very low	101 Å²	101	125 Å²	125	52%	0.518	62%	0.616	S	S	.	*	H	α-helix	trans	-62.4	-42.8	177.6	-61.4	176.2	0	0	0	110.2	Q420 Q426	Q420-I422 VanDerWaalsContact C-N 3.34Å; Q420-I422 PolarHBondContact O-N 3.29Å; I422-Q426 WeakPolarHBondContact O-CB 3.38Å; I422-Q426 WeakPolarHBondContact O-CG 3.37Å; I422-Q426 PolarHBondContact O-N 3.32Å
423	H	36	Very low	41.2	Very low	122 Å²	122	126.5 Å²	126.5	57%	0.565	61%	0.607	S	S	*	*	H	α-helix	trans	-69.7	-33.7	179.6	-164.4	-52.3	0	0	0	112.1	Q420 E421 L427	Q420-H423 PolarHBondContact O-N 2.87Å; E421-H423 VanDerWaalsContact C-N 3.33Å; E421-H423 PolarHBondContact O-N 3.48Å; H423-L427 WeakPolarHBondContact O-CB 3.24Å; H423-L427 PolarHBondContact O-N 3.25Å
424	L	35.7	Very low	42.9	Very low	117 Å²	117	126.7 Å²	126.7	61%	0.613	60%	0.601	S	S	*	*	H	α-helix	trans	-70.7	-47.1	177.6	-168	62	0	0	0	111.4	Q420 E421 Q426 L427 E428	Q420-L424 PolarHBondContact O-N 2.92Å; E421-L424 PolarHBondContact O-N 3.33Å; L424-Q426 VanDerWaalsContact C-N 3.27Å; L424-Q426 PolarHBondContact O-N 2.9Å; L424-L427 PolarHBondContact O-N 3.08Å; L424-L427 VanDerWaalsContact O-N 3.1Å; L424-E428 PolarHBondContact O-N 3.36Å
425	N	40.3	Very low	43.9	Very low	82 Å²	82	123 Å²	123	44%	0.439	59%	0.592	S	S	.	*	H	α-helix	trans	-60.7	-34.2	174.4	-111	-82.2	0	0	0	112.9	E421 K429	E421-N425 PolarHBondContact O-N 3.42Å; N425-K429 WeakPolarHBondContact O-CB 3.44Å; N425-K429 WeakPolarHBondContact O-CG 3.36Å; N425-K429 PolarHBondContact O-N 2.93Å
426	Q	50	Low	45.2	Very low	120 Å²	120	122.1 Å²	122.1	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-71.5	-35.8	174.3	-77.2	175.2	-1.8	0	0	112.5	I422 L424 Q430	I422-Q426 WeakPolarHBondContact O-CB 3.38Å; I422-Q426 WeakPolarHBondContact O-CG 3.37Å; I422-Q426 PolarHBondContact O-N 3.32Å; L424-Q426 VanDerWaalsContact C-N 3.27Å; L424-Q426 PolarHBondContact O-N 2.9Å; Q426-Q430 WeakPolarHBondContact O-CB 3.45Å; Q426-Q430 PolarHBondContact O-N 3.07Å; Q426-Q430 VanDerWaalsContact O-N 3.16Å
427	L	44.4	Very low	46.2	Very low	90 Å²	90	119.2 Å²	119.2	47%	0.471	58%	0.577	S	S	.	*	H	α-helix	trans	-70.8	-43	177.4	-161.1	74.3	0	0	0	111.3	H423 L424 Q430 V431	H423-L427 WeakPolarHBondContact O-CB 3.24Å; H423-L427 PolarHBondContact O-N 3.25Å; L424-L427 PolarHBondContact O-N 3.08Å; L424-L427 VanDerWaalsContact O-N 3.1Å; L427-Q430 CarbonylContact O-C 3.57Å; L427-Q430 WeakPolarHBondContact O-CA 3.35Å; L427-Q430 WeakPolarHBondContact O-CB 3.22Å; L427-Q430 PolarHBondContact O-N 2.62Å; L427-V431 WeakPolarHBondContact O-CG2 3.48Å; L427-V431 PolarHBondContact O-N 2.92Å
428	E	48	Very low	46.8	Very low	123 Å²	123	117.3 Å²	117.3	58%	0.575	57%	0.568	S	S	*	*	H	α-helix	trans	-61.7	-49.8	177.6	-165.6	160.5	-128	0	0	111	L424 Q430 V431 E432	L424-E428 PolarHBondContact O-N 3.36Å; E428-Q430 PolarHBondContact O-N 2.96Å; E428-V431 PolarHBondContact O-N 2.79Å; E428-E432 PolarHBondContact O-N 2.99Å
429	K	52.5	Low	47	Very low	118 Å²	118	115.9 Å²	115.9	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-67	-2.1	171.3	-69.6	174	179.8	166.6	0	114.2	N425 R433	N425-K429 WeakPolarHBondContact O-CB 3.44Å; N425-K429 WeakPolarHBondContact O-CG 3.36Å; N425-K429 PolarHBondContact O-N 2.93Å; K429-R433 VanDerWaalsContact O-CZ 3.24Å; K429-R433 PolarHBondContact O-NE 2.96Å; K429-R433 PolarHBondContact O-NH2 2.91Å
430	Q	52.8	Low	47.6	Very low	89 Å²	89	115.6 Å²	115.6	42%	0.416	57%	0.57	S	S	.	*	H	α-helix	trans	-101.6	-40.5	169.4	-178.9	160.8	-24.9	0	0	111.3	Q426 L427 E428 E432 R433 E434	Q426-Q430 WeakPolarHBondContact O-CB 3.45Å; Q426-Q430 PolarHBondContact O-N 3.07Å; Q426-Q430 VanDerWaalsContact O-N 3.16Å; L427-Q430 CarbonylContact O-C 3.57Å; L427-Q430 WeakPolarHBondContact O-CA 3.35Å; L427-Q430 WeakPolarHBondContact O-CB 3.22Å; L427-Q430 PolarHBondContact O-N 2.62Å; E428-Q430 PolarHBondContact O-N 2.96Å; Q430-E432 VanDerWaalsContact C-N 3.3Å; Q430-E432 PolarHBondContact O-N 3.37Å; Q430-R433 PolarHBondContact O-N 3.11Å; Q430-R433 VanDerWaalsContact O-N 3.1Å; Q430-E434 HydrophobicContact CG-CG 4.38Å; Q430-E434 VanDerWaalsContact CG-OE1 3.27Å; Q430-E434 WeakPolarHBondContact CG-OE1 3.48Å; Q430-E434 PolarHBondContact NE2-OE1 2.78Å; Q430-E434 WeakPolarHBondContact O-CG 3.28Å; Q430-E434 PolarHBondContact O-N 3.41Å
431	V	56.9	Low	48	Very low	89 Å²	89	111.5 Å²	111.5	54%	0.539	56%	0.559	S	S	.	*	H	α-helix	trans	-58.4	-41.5	171	171.1	0	0	0	0	111.1	L427 E428 R433 E434 A435	L427-V431 WeakPolarHBondContact O-CG2 3.48Å; L427-V431 PolarHBondContact O-N 2.92Å; E428-V431 PolarHBondContact O-N 2.79Å; V431-R433 PolarHBondContact O-N 3.3Å; V431-E434 PolarHBondContact O-N 3.27Å; V431-A435 VanDerWaalsContact O-CB 3.25Å; V431-A435 WeakPolarHBondContact O-CB 3.4Å; V431-A435 PolarHBondContact O-N 3.48Å
432	E	55.6	Low	48.2	Very low	124 Å²	124	111.9 Å²	111.9	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-59.9	-43.6	172.7	-73.1	-173.7	128.4	0	0	112.4	E428 Q430 A435 Q436	E428-E432 PolarHBondContact O-N 2.99Å; Q430-E432 VanDerWaalsContact C-N 3.3Å; Q430-E432 PolarHBondContact O-N 3.37Å; E432-A435 PolarHBondContact O-N 2.96Å; E432-Q436 WeakPolarHBondContact O-CB 3.27Å; E432-Q436 PolarHBondContact O-N 3.26Å
433	R	57.8	Low	48.1	Very low	159 Å²	159	113 Å²	113	60%	0.6	58%	0.578	S	S	*	*	H	α-helix	trans	-71.3	-34.3	-179.9	-82.1	-179.3	-71.2	140	8.5	112.9	K429 Q430 V431 S437	K429-R433 VanDerWaalsContact O-CZ 3.24Å; K429-R433 PolarHBondContact O-NE 2.96Å; K429-R433 PolarHBondContact O-NH2 2.91Å; Q430-R433 PolarHBondContact O-N 3.11Å; Q430-R433 VanDerWaalsContact O-N 3.1Å; V431-R433 PolarHBondContact O-N 3.3Å; R433-S437 VanDerWaalsContact O-CB 3.29Å; R433-S437 WeakPolarHBondContact O-CB 3.36Å; R433-S437 PolarHBondContact O-N 3.41Å
434	E	60.8	Low	48.2	Very low	108 Å²	108	115.2 Å²	115.2	51%	0.505	59%	0.593	S	S	.	*	H	α-helix	trans	-71.2	-40.1	174.5	-71.9	171.9	-168.9	0	0	110.7	Q430 V431 S437 E438	Q430-E434 HydrophobicContact CG-CG 4.38Å; Q430-E434 VanDerWaalsContact CG-OE1 3.27Å; Q430-E434 WeakPolarHBondContact CG-OE1 3.48Å; Q430-E434 PolarHBondContact NE2-OE1 2.78Å; Q430-E434 WeakPolarHBondContact O-CG 3.28Å; Q430-E434 PolarHBondContact O-N 3.41Å; V431-E434 PolarHBondContact O-N 3.27Å; E434-S437 PolarHBondContact O-N 3.12Å; E434-E438 PolarHBondContact O-N 2.92Å
435	A	47.5	Very low	48	Very low	61 Å²	61	117.7 Å²	117.7	50%	0.504	61%	0.607	S	S	.	*	H	α-helix	trans	-63.6	-41.9	172.8	0	0	0	0	0	112.8	V431 E432 S437 L439	V431-A435 VanDerWaalsContact O-CB 3.25Å; V431-A435 WeakPolarHBondContact O-CB 3.4Å; V431-A435 PolarHBondContact O-N 3.48Å; E432-A435 PolarHBondContact O-N 2.96Å; A435-S437 VanDerWaalsContact C-N 3.35Å; A435-L439 PolarHBondContact O-N 3.33Å
436	Q	51.4	Low	48.1	Very low	125 Å²	125	118.8 Å²	118.8	58%	0.584	62%	0.618	S	S	*	*	H	α-helix	trans	-64.7	-39.8	174.9	-146.6	75.4	13.9	0	0	111.5	E432 L439 E440	E432-Q436 WeakPolarHBondContact O-CB 3.27Å; E432-Q436 PolarHBondContact O-N 3.26Å; Q436-L439 PolarHBondContact O-N 3.27Å; Q436-E440 PolarHBondContact O-N 2.02Å
437	S	52.1	Low	47.1	Very low	78 Å²	78	121.7 Å²	121.7	55%	0.545	63%	0.631	S	S	.	*	H	α-helix	trans	-68.4	-34	179.8	-174.2	0	0	0	0	113.8	R433 E434 A435	R433-S437 VanDerWaalsContact O-CB 3.29Å; R433-S437 WeakPolarHBondContact O-CB 3.36Å; R433-S437 PolarHBondContact O-N 3.41Å; E434-S437 PolarHBondContact O-N 3.12Å; A435-S437 VanDerWaalsContact C-N 3.35Å
438	E	50.3	Low	46.3	Very low	144 Å²	144	122.1 Å²	122.1	67%	0.673	64%	0.642	S	S	*	*	H	α-helix	trans	-69.3	-37.8	173.7	-75.2	-76	124.9	0	0	110.8	E434 E440 S441	E434-E438 PolarHBondContact O-N 2.92Å; E438-E440 VanDerWaalsContact C-N 3.34Å; E438-E440 PolarHBondContact O-N 3.16Å; E438-S441 WeakPolarHBondContact O-CB 3.45Å; E438-S441 PolarHBondContact O-N 3.44Å; E438-S441 VanDerWaalsContact O-N 3.13Å; E438-S441 PolarHBondContact O-OG 2.88Å
439	L	46.6	Very low	45.4	Very low	123 Å²	123	123.6 Å²	123.6	64%	0.644	65%	0.653	S	S	*	*	H	α-helix	trans	-67.7	-30	-177.1	-163.2	67.1	0	0	0	113.4	A435 Q436 S441	A435-L439 PolarHBondContact O-N 3.33Å; Q436-L439 PolarHBondContact O-N 3.27Å; L439-S441 PolarHBondContact O-N 2.92Å
440	E	46.2	Very low	44.3	Very low	169 Å²	169	122.9 Å²	122.9	79%	0.79	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-3.9	174.5	-68.5	-170.6	153.2	0	0	114	Q436 E438	Q436-E440 PolarHBondContact O-N 2.02Å; E438-E440 VanDerWaalsContact C-N 3.34Å; E438-E440 PolarHBondContact O-N 3.16Å
441	S	46.3	Very low	43.2	Very low	78 Å²	78	124 Å²	124	55%	0.545	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.4	-6.7	-172.6	77.8	0	0	0	0	115.9	E438 L439	E438-S441 WeakPolarHBondContact O-CB 3.45Å; E438-S441 PolarHBondContact O-N 3.44Å; E438-S441 VanDerWaalsContact O-N 3.13Å; E438-S441 PolarHBondContact O-OG 2.88Å; L439-S441 PolarHBondContact O-N 2.92Å
442	L	41.2	Very low	41.8	Very low	130 Å²	130	128.1 Å²	128.1	68%	0.681	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-85.6	133.5	-172.1	-69.8	171.3	0	0	0	113.2
443	P	37.7	Very low	40.5	Very low	123 Å²	123	129.4 Å²	129.4	80%	0.799	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-80.9	141	-173	31.6	-35.7	0	0	0	114.1
444	L	39	Very low	40.5	Very low	169 Å²	169	125.9 Å²	125.9	89%	0.885	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-81	150.7	176.3	-67	169.7	0	0	0	113.3
445	L	30.5	Very low	39.1	Very low	170 Å²	170	127.6 Å²	127.6	89%	0.89	71%	0.706	S	S	*	*			trans	-133.2	153.6	160.6	-75.1	174.2	0	0	0	109.9
446	P	42.1	Very low	38.2	Very low	105 Å²	105	130.4 Å²	130.4	68%	0.682	71%	0.712	S	S	*	*			trans	-122.4	164.9	-151.8	41.7	-29.3	0	0	0	117.2
447	E	29.9	Very low	37.4	Very low	180 Å²	180	133.5 Å²	133.5	84%	0.841	72%	0.719	S	S	*	*			trans	64.2	142.2	160.6	-66.5	179.4	143.5	0	0	118.1
448	S	28.1	Very low	36.3	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	72%	0.723	S	S	*	*				178.5	149.7	61.4	34.1	0	0	0	0	113.3
449	L	29	Very low	35.6	Very low	155 Å²	155	135 Å²	135	81%	0.812	72%	0.721	S	S	*	*			trans	54.3	159.6	144.8	-78.8	74.8	0	0	0	119.4
450	T	29.5	Very low	34.8	Very low	103 Å²	103	134.2 Å²	134.2	63%	0.632	72%	0.721	S	S	*	*			cis	-161.6	129.5	4.5	8.1	0	0	0	0	108.1
451	T	29.7	Very low	34.1	Very low	111 Å²	111	132 Å²	132	68%	0.681	72%	0.718	S	S	*	*				77.3	161.1	94.5	73.8	0	0	0	0	119.4
452	E	27.6	Very low	33.2	Very low	177 Å²	177	134.1 Å²	134.1	83%	0.827	73%	0.729	S	S	*	*			trans	92.9	141.2	169	-51.4	-46.8	111.3	0	0	121.2
453	D	28.1	Very low	32.6	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	73%	0.727	S	S	*	*			trans	-139.9	-143.1	-174.6	-156.3	6.7	0	0	0	104.9
454	P	56.2	Low	32.2	Very low	85 Å²	85	132.7 Å²	132.7	55%	0.552	72%	0.722	S	S	*	*			cis	-129.2	-154.3	-39.5	25.9	-0.6	0	0	0	112.4
455	L	32.6	Very low	31.7	Very low	144 Å²	144	135.2 Å²	135.2	75%	0.754	72%	0.72	S	S	*	*			trans	87	145.9	157.4	-52	163.7	0	0	0	117.5
456	D	29.3	Very low	31.6	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	71%	0.709	S	S	*	*			cis	-156.1	140.1	-15.7	-118.9	-5.8	0	0	0	105.6
457	R	34.2	Very low	30.8	Very low	191 Å²	191	134.1 Å²	134.1	72%	0.721	72%	0.715	S	S	*	*				73.1	116.4	53.4	-159.1	-168.9	-174.7	172.6	4.2	115.6
458	N	28.2	Very low	30.6	Very low	118 Å²	118	131.1 Å²	131.1	63%	0.631	71%	0.714	S	S	*	*				177.2	120.6	128.1	-87	-26.8	0	0	0	110.7
459	Q	35.1	Very low	30.9	Very low	135 Å²	135	132.5 Å²	132.5	63%	0.631	71%	0.708	S	S	*	*				77.5	145.4	83.4	-72.9	-171.2	65.7	0	0	113.1
460	T	30.5	Very low	31.5	Very low	106 Å²	106	130.2 Å²	130.2	65%	0.65	70%	0.702	S	S	*	*			cis	-155	144.4	22.7	-1.4	0	0	0	0	109.8
461	V	30.7	Very low	31.4	Very low	122 Å²	122	131.4 Å²	131.4	74%	0.739	71%	0.709	S	S	*	*				55.4	125.2	96.1	162.5	0	0	0	0	113.6
462	T	28	Very low	31.3	Very low	124 Å²	124	130.9 Å²	130.9	76%	0.761	72%	0.716	S	S	*	*			cis	-171.8	174.4	15	13.4	0	0	0	0	109.8
463	S	28.5	Very low	31.3	Very low	91 Å²	91	126.4 Å²	126.4	64%	0.636	71%	0.71	S	S	*	*			cis	-166.4	-178.8	-8.1	-164.8	0	0	0	0	110.7
464	D	29.7	Very low	31.3	Very low	131 Å²	131	130.3 Å²	130.3	70%	0.701	72%	0.715	S	S	*	*			trans	66.4	102.5	148.9	-73.5	-69.1	0	0	0	124.6
465	R	28.9	Very low	30.1	Very low	222 Å²	222	129.8 Å²	129.8	84%	0.838	72%	0.717	S	S	*	*				70.7	135.1	111.5	-157.8	-177.7	-179.3	93.9	9.5	123
466	A	26.7	Very low	30	Very low	80 Å²	80	128.7 Å²	128.7	66%	0.661	72%	0.722	S	S	*	*			trans	106	108.9	150.5	0	0	0	0	0	119.9
467	E	27.3	Very low	29.9	Very low	172 Å²	172	126 Å²	126	80%	0.804	72%	0.722	S	S	*	*				45.1	126.7	128.7	-66.8	165.1	-158.9	0	0	123.7
468	S	25.7	Very low	29.7	Very low	118 Å²	118	126 Å²	126	83%	0.825	73%	0.728	S	S	*	*			trans	84.8	148	143.4	75.9	0	0	0	0	123.1
469	F	33.3	Very low	29.7	Very low	128 Å²	128	125.2 Å²	125.2	56%	0.561	73%	0.727	S	S	*	*			trans	-81.5	178.8	174.5	-62.2	-81.3	0	0	0	111.8	L883 E884	F469-L883 HydrophobicContact CE1-CB 3.93Å; F469-L883 HydrophobicContact CE1-CD1 3.95Å; F469-L883 HydrophobicContact CZ-CB 3.68Å; F469-L883 HydrophobicContact CZ-CD1 3.79Å; F469-L883 HydrophobicContact CZ-CG 4.29Å; F469-E884 HydrophobicContact CE2-CB 4.4Å; F469-E884 WeakPolarHBondContact CE2-OE2 3.41Å; F469-E884 VanDerWaalsContact CZ-OE2 3.31Å; F469-E884 WeakPolarHBondContact CZ-OE2 3.49Å
470	P	42	Very low	29.5	Very low	107 Å²	107	127.1 Å²	127.1	70%	0.695	73%	0.733	S	S	*	*			cis	-150.3	179.6	19.8	43.9	-21.7	0	0	0	120.2
471	T	26.1	Very low	29.3	Very low	128 Å²	128	127 Å²	127	79%	0.785	73%	0.732	S	S	*	*			trans	42.8	118.8	148.5	51.7	0	0	0	0	124.3
472	A	28.5	Very low	29.3	Very low	100 Å²	100	127.6 Å²	127.6	83%	0.826	73%	0.731	S	S	*	*				59.2	140.5	121.2	0	0	0	0	0	123.7
473	A	28.3	Very low	29.2	Very low	83 Å²	83	127.6 Å²	127.6	69%	0.686	73%	0.726	S	S	*	*				163.7	125.2	121.6	0	0	0	0	0	115.8
474	Y	26.6	Very low	29.2	Very low	233 Å²	233	131.5 Å²	131.5	91%	0.914	73%	0.734	S	S	*	*			trans	55.5	157.3	138.8	-76.4	-84	0	0	0	121.4
475	A	31.1	Very low	29.2	Very low	74 Å²	74	129.8 Å²	129.8	61%	0.612	73%	0.732	S	S	*	*			cis	-159.8	162.7	-6.8	0	0	0	0	0	112.2
476	S	30.7	Very low	29.1	Very low	120 Å²	120	125.2 Å²	125.2	84%	0.839	73%	0.729	S	S	*	*			trans	63.6	146.1	150.4	-65	0	0	0	0	120.9
477	G	28.7	Very low	29.2	Very low	63 Å²	63	127.9 Å²	127.9	65%	0.649	73%	0.728	S	S	*	*			cis	158.9	-174.9	-7.4	0	0	0	0	0	114.2
478	F	28.3	Very low	29.3	Very low	191 Å²	191	127.1 Å²	127.1	84%	0.838	72%	0.722	S	S	*	*			trans	74.7	141.4	168	-79	-112.9	0	0	0	119.1
479	V	29.2	Very low	29.4	Very low	102 Å²	102	130 Å²	130	62%	0.618	72%	0.715	S	S	*	*			cis	-172.1	160	-18.1	75.2	0	0	0	0	114.2
480	K	30.2	Very low	29.2	Very low	175 Å²	175	132.5 Å²	132.5	76%	0.761	72%	0.722	S	S	*	*			trans	73.9	152.4	151.8	-71.7	-161.7	175.1	-179.2	0	120.3
481	T	27.2	Very low	28.6	Very low	103 Å²	103	133 Å²	133	63%	0.632	72%	0.719	S	S	*	*			cis	-171.1	162.3	-9	22.7	0	0	0	0	115.7
482	L	29.8	Very low	29	Very low	134 Å²	134	131 Å²	131	70%	0.702	71%	0.71	S	S	*	*			trans	73	123.1	143.7	-72.2	161.7	0	0	0	118.4
483	N	27.1	Very low	29.3	Very low	124 Å²	124	134 Å²	134	66%	0.663	71%	0.707	S	S	*	*				80.1	150.5	81	-77.1	33.1	0	0	0	114
484	E	28.2	Very low	29.6	Very low	174 Å²	174	137 Å²	137	81%	0.813	71%	0.706	S	S	*	*			cis	-150.6	-150	3.9	-131.7	159.3	137.5	0	0	113.5
485	S	29.1	Very low	29.9	Very low	94 Å²	94	131.7 Å²	131.7	66%	0.657	69%	0.693	S	S	*	*			trans	-114.4	-165.1	-156.6	65.2	0	0	0	0	117.6
486	T	27.4	Very low	29.7	Very low	126 Å²	126	133.4 Å²	133.4	77%	0.773	70%	0.696	S	S	*	*			trans	92.8	150	175.2	72.5	0	0	0	0	117.9
487	E	28.9	Very low	29.8	Very low	136 Å²	136	135.3 Å²	135.3	64%	0.636	69%	0.692	S	S	*	*			cis	-171	161.3	-26.9	-110.3	-154.6	107.3	0	0	112.9
488	K	30.1	Very low	29.8	Very low	157 Å²	157	136.9 Å²	136.9	68%	0.683	70%	0.699	S	S	*	*			trans	66.2	165.1	150.9	-76.7	165.6	176.4	130.2	0	118.8
489	R	25.8	Very low	30	Very low	179 Å²	179	132 Å²	132	68%	0.675	69%	0.694	S	S	*	*			cis	-179.6	145.6	-20.2	171.5	-176.8	-171.8	177	8.5	112.4
490	Y	30.6	Very low	29.8	Very low	179 Å²	179	133.4 Å²	133.4	70%	0.702	70%	0.702	S	S	*	*			trans	65.9	163.1	162.8	-81.5	-157.1	0	0	0	116.7
491	D	29.6	Very low	29.8	Very low	117 Å²	117	129.7 Å²	129.7	63%	0.626	70%	0.698	S	S	*	*			cis	-166.1	-177.4	-4.2	-112.7	-9.3	0	0	0	108.1
492	S	33.3	Very low	29.9	Very low	86 Å²	86	130.7 Å²	130.7	60%	0.601	70%	0.704	S	S	*	*			cis	178.7	175.4	-42.1	-87.2	0	0	0	0	110.1
493	Q	35.3	Very low	29.8	Very low	165 Å²	165	132.6 Å²	132.6	77%	0.771	71%	0.713	S	S	*	*			trans	75	154.2	165.7	-55.8	-170.6	0	0	0	118.2
494	H	34.7	Very low	29.8	Very low	145 Å²	145	131.5 Å²	131.5	67%	0.671	72%	0.716	S	S	*	*			cis	-170.7	171	-14.4	-97.4	-31.5	0	0	0	106.7
495	L	31.7	Very low	29.8	Very low	121 Å²	121	128.9 Å²	128.9	63%	0.634	71%	0.712	S	S	*	*			cis	-158.7	-167.9	-5.8	-108.9	166.8	0	0	0	105.8	E497	L495-E497 WeakPolarHBondContact CD2-OE2 3.43Å
496	T	28.1	Very low	29.8	Very low	111 Å²	111	129.7 Å²	129.7	68%	0.681	71%	0.713	S	S	*	*			cis	-152.7	164	7.3	17.3	0	0	0	0	105.5
497	E	31.8	Very low	30	Very low	160 Å²	160	130.4 Å²	130.4	75%	0.748	71%	0.712	S	S	*	*			cis	69.2	145.7	47.7	-57.7	-178.2	87.9	0	0	114.6	L495	L495-E497 WeakPolarHBondContact CD2-OE2 3.43Å
498	A	29.9	Very low	30.1	Very low	95 Å²	95	128.9 Å²	128.9	79%	0.785	71%	0.712	S	S	*	*			cis	-169	171.4	-2.7	0	0	0	0	0	108.5
499	A	31.6	Very low	29.9	Very low	89 Å²	89	130.5 Å²	130.5	74%	0.736	72%	0.719	S	S	*	*			cis	-172.6	-163.3	-18	0	0	0	0	0	108.9
500	V	26.2	Very low	30	Very low	132 Å²	132	128.2 Å²	128.2	80%	0.8	72%	0.72	S	S	*	*			trans	75.6	134	167.6	179.6	0	0	0	0	116.1
501	S	28.7	Very low	29.9	Very low	96 Å²	96	123.9 Å²	123.9	67%	0.671	72%	0.717	S	S	*	*			cis	91.9	159.6	11.1	94.1	0	0	0	0	116.9
502	T	29.8	Very low	29.9	Very low	125 Å²	125	124 Å²	124	77%	0.767	72%	0.721	S	S	*	*			cis	-160.9	145.5	-0.1	-13.9	0	0	0	0	110.1
503	I	27.1	Very low	29.9	Very low	173 Å²	173	128.3 Å²	128.3	89%	0.887	73%	0.732	S	S	*	*			trans	-167.4	173	163.9	-114.8	162.6	0	0	0	113.7
504	S	27.2	Very low	29.5	Very low	102 Å²	102	125.3 Å²	125.3	71%	0.713	73%	0.73	S	S	*	*			trans	-101.9	-150.7	-178.3	-53.1	0	0	0	0	113.5
505	T	28.3	Very low	29.7	Very low	119 Å²	119	124.3 Å²	124.3	73%	0.73	73%	0.734	S	S	*	*			cis	-178.6	159.6	19.5	4.9	0	0	0	0	106.7
506	T	29.6	Very low	29.3	Very low	111 Å²	111	127.1 Å²	127.1	68%	0.681	75%	0.746	S	S	*	*			cis	-178.1	166	-14.5	23.8	0	0	0	0	110.3
507	N	31.3	Very low	29.4	Very low	141 Å²	141	128.6 Å²	128.6	75%	0.754	75%	0.748	S	S	*	*			trans	73.1	150.7	154.9	-71.6	12.8	0	0	0	121
508	T	30.4	Very low	30.5	Very low	104 Å²	104	126.3 Å²	126.3	64%	0.638	75%	0.747	S	S	*	*			cis	-168.7	175.3	-20.7	23.9	0	0	0	0	110.4
509	F	27.1	Very low	31.5	Very low	191 Å²	191	127.5 Å²	127.5	84%	0.838	75%	0.747	S	S	*	*			trans	92.3	147.9	165.5	-72.7	-90.2	0	0	0	118.9
510	D	27.7	Very low	31.2	Very low	130 Å²	130	127 Å²	127	70%	0.695	75%	0.75	S	S	*	*				178	153.5	-56.9	178.1	42.1	0	0	0	109.6
511	S	27.7	Very low	31.3	Very low	89 Å²	89	127.5 Å²	127.5	62%	0.622	75%	0.748	S	S	*	*			trans	-8.5	168.1	164.7	-49.8	0	0	0	0	121.5
512	T	30.1	Very low	31.2	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.724	75%	0.753	S	S	*	*			cis	-157.8	147.2	43.2	32.3	0	0	0	0	111.8
513	Q	33.6	Very low	31	Very low	178 Å²	178	133.5 Å²	133.5	83%	0.832	76%	0.755	S	S	*	*				66.3	150.9	89.1	-119.1	-172.5	16.8	0	0	114.9
514	S	26.9	Very low	30.9	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	75%	0.747	S	S	*	*			cis	-159.1	-179	6.2	-157.5	0	0	0	0	112.7
515	T	38.7	Very low	30.9	Very low	124 Å²	124	130.2 Å²	130.2	76%	0.761	75%	0.753	S	S	*	*			trans	-125.1	156.9	-177.3	41.8	0	0	0	0	115.4
516	M	24.5	Very low	30.8	Very low	180 Å²	180	131.2 Å²	131.2	89%	0.887	75%	0.754	S	S	*	*			trans	-169.7	146.2	163.4	-103.6	174.2	-175.5	0	0	108.9
517	I	28.7	Very low	30.8	Very low	141 Å²	141	132 Å²	132	72%	0.723	75%	0.753	S	S	*	*			cis	77.3	132.4	6.2	-48.5	169.7	0	0	0	115
518	P	55.2	Low	30.9	Very low	113 Å²	113	132 Å²	132	73%	0.734	75%	0.748	S	S	*	*			cis	-116.1	-137	-12.7	42.3	-25.6	0	0	0	109.9
519	P	50.6	Low	30.7	Very low	120 Å²	120	136.6 Å²	136.6	78%	0.779	75%	0.754	S	S	*	*			cis	-133.3	177.7	-28.9	39.8	-23.6	0	0	0	115.8
520	G	26.7	Very low	30.7	Very low	77 Å²	77	133.5 Å²	133.5	79%	0.794	75%	0.746	S	S	*	*			trans	93.2	144.9	146.9	0	0	0	0	0	120
521	D	28.1	Very low	30.6	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	75%	0.752	S	S	*	*				175.6	151.3	-74.9	-165.7	12.5	0	0	0	110.2
522	Y	26.9	Very low	30.4	Very low	194 Å²	194	134.5 Å²	134.5	76%	0.761	75%	0.75	S	S	*	*			trans	73.3	141.2	175.3	-84.3	-87.1	0	0	0	124.6
523	N	23.8	Very low	30.1	Very low	153 Å²	153	136.6 Å²	136.6	82%	0.818	75%	0.749	S	S	*	*			trans	67.5	140.6	165.7	-62.9	-15.7	0	0	0	119.8
524	G	25.3	Very low	29.6	Very low	70 Å²	70	134.3 Å²	134.3	72%	0.722	75%	0.748	S	S	*	*			cis	132.7	81	-15.3	0	0	0	0	0	117.2
525	T	28.9	Very low	29.5	Very low	135 Å²	135	136.9 Å²	136.9	83%	0.828	75%	0.746	S	S	*	*			trans	-164.2	134.4	155.1	25.7	0	0	0	0	106.3
526	D	25.1	Very low	28.8	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	75%	0.746	S	S	*	*			cis	92.2	149.4	33.1	-161.2	20.6	0	0	0	114
527	L	29.9	Very low	28.8	Very low	128 Å²	128	135.8 Å²	135.8	67%	0.67	74%	0.738	S	S	*	*			trans	72	136.6	-164.5	-64.6	73.3	0	0	0	115
528	H	33.3	Very low	28.6	Very low	139 Å²	139	134 Å²	134	64%	0.644	74%	0.738	S	S	*	*			cis	-156.2	141	-13.2	-109.8	-2.1	0	0	0	108.3
529	R	26.6	Very low	27.3	Very low	201 Å²	201	136.3 Å²	136.3	76%	0.758	74%	0.739	S	S	*	*				54.5	135.6	87.4	-88.9	-173.3	177.7	-175.6	-0.7	114.8
530	N	26.5	Very low	26	Very low	127 Å²	127	139 Å²	139	68%	0.679	74%	0.739	S	S	*	*			cis	-132.8	168.6	7.1	-57.1	-71	0	0	0	110.4
531	L	26	Very low	25.9	Very low	158 Å²	158	142.1 Å²	142.1	83%	0.827	73%	0.733	S	S	*	*			cis	75.5	153.2	22.8	-105.2	173	0	0	0	117.1
532	S	22.8	Very low	25.7	Very low	81 Å²	81	145 Å²	145	57%	0.566	73%	0.733	S	S	*	*			trans	66.3	152.5	-178.2	71.8	0	0	0	0	116.1
533	F	24.2	Very low	25.6	Very low	162 Å²	162	140.4 Å²	140.4	71%	0.711	73%	0.729	S	S	*	*			cis	-131.3	146.2	18.2	-85.8	-83.4	0	0	0	116.6	F535	F533-F535 HydrophobicContact CB-CD2 4.39Å; F533-F535 AromaticContact CD1-CD2 3.78Å; F533-F535 HydrophobicContact CD1-CD2 3.78Å; F533-F535 AromaticContact CD1-CE2 3.25Å; F533-F535 HydrophobicContact CD1-CE2 3.25Å; F533-F535 AromaticContact CD1-CZ 3.99Å; F533-F535 HydrophobicContact CD1-CZ 3.99Å; F533-F535 HydrophobicContact CE1-CD2 4.44Å; F533-F535 AromaticContact CE1-CE2 3.49Å; F533-F535 HydrophobicContact CE1-CE2 3.49Å; F533-F535 VanDerWaalsContact CE1-CE2 3.49Å; F533-F535 AromaticContact CE1-CZ 3.89Å; F533-F535 HydrophobicContact CE1-CZ 3.89Å; F533-F535 HydrophobicContact CG-CD2 4.32Å; F533-F535 HydrophobicContact CG-CE2 4.06Å; F533-F535 HydrophobicContact CZ-CE2 4.43Å
534	T	23.9	Very low	25.6	Very low	131 Å²	131	137.8 Å²	137.8	80%	0.804	72%	0.719	S	S	*	*			trans	-100.9	144.6	146	44.4	0	0	0	0	109.8
535	F	24.8	Very low	25.6	Very low	155 Å²	155	145.5 Å²	145.5	68%	0.68	73%	0.728	S	S	*	*			trans	-147	153.1	157	-84.1	-71.3	0	0	0	107.4	F533	F533-F535 HydrophobicContact CB-CD2 4.39Å; F533-F535 AromaticContact CD1-CD2 3.78Å; F533-F535 HydrophobicContact CD1-CD2 3.78Å; F533-F535 AromaticContact CD1-CE2 3.25Å; F533-F535 HydrophobicContact CD1-CE2 3.25Å; F533-F535 AromaticContact CD1-CZ 3.99Å; F533-F535 HydrophobicContact CD1-CZ 3.99Å; F533-F535 HydrophobicContact CE1-CD2 4.44Å; F533-F535 AromaticContact CE1-CE2 3.49Å; F533-F535 HydrophobicContact CE1-CE2 3.49Å; F533-F535 VanDerWaalsContact CE1-CE2 3.49Å; F533-F535 AromaticContact CE1-CZ 3.89Å; F533-F535 HydrophobicContact CE1-CZ 3.89Å; F533-F535 HydrophobicContact CG-CD2 4.32Å; F533-F535 HydrophobicContact CG-CE2 4.06Å; F533-F535 HydrophobicContact CZ-CE2 4.43Å
536	H	23.7	Very low	25.4	Very low	163 Å²	163	147.9 Å²	147.9	76%	0.755	73%	0.727	S	S	*	*			cis	-134.6	149.8	11.8	-135	-73	0	0	0	112.4
537	T	24.7	Very low	26.5	Very low	118 Å²	118	146.6 Å²	146.6	72%	0.724	73%	0.726	S	S	*	*			trans	-110.1	159.6	162.7	50.3	0	0	0	0	110.5
538	S	24.1	Very low	26.3	Very low	104 Å²	104	149.2 Å²	149.2	73%	0.727	74%	0.735	S	S	*	*			trans	-124.8	116.2	152.4	54.3	0	0	0	0	106.1
539	E	27.5	Very low	25.8	Very low	162 Å²	162	148.3 Å²	148.3	76%	0.757	74%	0.739	S	S	*	*				68.1	132.8	81.4	-71.1	-173	157.1	0	0	113
540	F	23.6	Very low	25.8	Very low	177 Å²	177	146.1 Å²	146.1	78%	0.776	74%	0.738	S	S	*	*			cis	-108.7	-141.9	0.3	-131.3	-134.1	0	0	0	110.8
541	E	23.4	Very low	25.6	Very low	141 Å²	141	145.9 Å²	145.9	66%	0.659	74%	0.736	S	S	*	*			cis	-154	166.4	7	-148	-56.4	90.2	0	0	108.1
542	R	25.5	Very low	25.5	Very low	205 Å²	205	146.5 Å²	146.5	77%	0.774	74%	0.735	S	S	*	*			trans	-148.8	129.2	170	169.2	-172.6	-96.9	-132.4	-3.6	113.9	T544	R542-T544 HydrophobicContact CG-CG2 4.29Å
543	S	23.2	Very low	25.5	Very low	98 Å²	98	148.8 Å²	148.8	69%	0.685	75%	0.746	S	S	*	*			trans	-141.4	119.6	145.3	47.4	0	0	0	0	109.6
544	T	24.9	Very low	25.5	Very low	97 Å²	97	145.3 Å²	145.3	60%	0.595	75%	0.747	S	S	*	*				57.6	120	66.6	63.6	0	0	0	0	116.1	R542	R542-T544 HydrophobicContact CG-CG2 4.29Å
545	Y	25.5	Very low	25.5	Very low	233 Å²	233	144.7 Å²	144.7	91%	0.914	75%	0.748	S	S	*	*				-150	174.3	129.2	-119.1	-81.7	0	0	0	112.1
546	K	24.9	Very low	25.6	Very low	185 Å²	185	143.9 Å²	143.9	80%	0.804	75%	0.751	S	S	*	*			trans	-96.5	164.2	-162.1	-75.1	-178.7	174	-178.9	0	115.8
547	P	46.9	Very low	25.7	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	75%	0.747	S	S	*	*			trans	-96.5	-166.4	165.3	41.2	-36.5	0	0	0	113.6
548	Q	26.4	Very low	25.8	Very low	182 Å²	182	143.2 Å²	143.2	85%	0.85	75%	0.753	S	S	*	*			trans	88.9	142.3	-179.1	-58.9	-173	-39.9	0	0	114.3
549	T	23.6	Very low	25.9	Very low	121 Å²	121	143 Å²	143	74%	0.742	75%	0.751	S	S	*	*			cis	-131.7	138.9	28	45.1	0	0	0	0	117.5
550	E	25.2	Very low	25.8	Very low	154 Å²	154	141.2 Å²	141.2	72%	0.72	75%	0.752	S	S	*	*			trans	46.8	123.3	130.6	-63.1	-163.5	119.4	0	0	125.1
551	N	22.7	Very low	25.9	Very low	122 Å²	122	141.2 Å²	141.2	65%	0.652	75%	0.754	S	S	*	*				93.2	137.1	124	-75.4	-27.5	0	0	0	123.8
552	Q	24.1	Very low	26	Very low	171 Å²	171	139.1 Å²	139.1	80%	0.799	76%	0.755	S	S	*	*			trans	67.5	115.4	159.2	-66.2	167.2	26.7	0	0	117.1
553	T	23.3	Very low	26	Very low	129 Å²	129	136.3 Å²	136.3	79%	0.791	75%	0.754	S	S	*	*			cis	98.7	139	37.1	59.3	0	0	0	0	114.7
554	A	23.5	Very low	26.2	Very low	90 Å²	90	140 Å²	140	74%	0.744	76%	0.761	S	S	*	*			trans	78.8	104.1	162	0	0	0	0	0	119.1
555	S	23.8	Very low	26.2	Very low	118 Å²	118	140.6 Å²	140.6	83%	0.825	77%	0.769	S	S	*	*				153.2	159.1	124.3	53.2	0	0	0	0	111.9
556	D	26.7	Very low	26.2	Very low	138 Å²	138	135.2 Å²	135.2	74%	0.738	76%	0.76	S	S	*	*				-159.9	148.3	-58	-119.7	-44.7	0	0	0	109.1
557	T	27.2	Very low	26.3	Very low	109 Å²	109	133.7 Å²	133.7	67%	0.669	76%	0.756	S	S	*	*			trans	18.2	120.9	162.2	52.4	0	0	0	0	122.1
558	N	25.8	Very low	25.4	Very low	158 Å²	158	135.6 Å²	135.6	85%	0.845	76%	0.755	S	S	*	*				166.6	149.6	122.9	-85.5	-31.4	0	0	0	111.5
559	S	25.9	Very low	25.3	Very low	100 Å²	100	132.9 Å²	132.9	70%	0.699	75%	0.751	S	S	*	*			cis	-159.3	163	-9.6	46.1	0	0	0	0	111.1
560	T	25.7	Very low	25.3	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	75%	0.75	S	S	*	*			trans	-29.5	145.2	169.2	48.6	0	0	0	0	116.9
561	E	26.5	Very low	25.3	Very low	177 Å²	177	133.7 Å²	133.7	83%	0.827	75%	0.75	S	S	*	*				-164.9	163	83.6	-95.9	-173.3	147.3	0	0	117.2
562	S	24.1	Very low	25.2	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	75%	0.752	S	S	*	*			trans	53	109.2	151.4	67.4	0	0	0	0	124.1
563	L	26.4	Very low	25.2	Very low	146 Å²	146	134.8 Å²	134.8	76%	0.764	74%	0.744	S	S	*	*				70.7	108.9	121.4	-70.3	162.7	0	0	0	123.3
564	Q	26.2	Very low	25.1	Very low	176 Å²	176	135.6 Å²	135.6	82%	0.822	74%	0.739	S	S	*	*				50.4	109.8	128.6	-71.8	-177.6	-53.1	0	0	121.4
565	S	26.1	Very low	25.2	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	73%	0.732	S	S	*	*			trans	-79.8	137.4	144.7	55.1	0	0	0	0	111.8
566	T	24.8	Very low	25.2	Very low	121 Å²	121	138.8 Å²	138.8	74%	0.742	73%	0.728	S	S	*	*				-179.6	133.6	121	33.6	0	0	0	0	112.9
567	E	27.9	Very low	25.1	Very low	152 Å²	152	139.1 Å²	139.1	71%	0.71	73%	0.725	S	S	*	*			trans	66.8	118.3	139.6	-64.3	-158.4	107.3	0	0	124.6
568	Q	27.2	Very low	24.9	Very low	155 Å²	155	140.3 Å²	140.3	72%	0.724	73%	0.732	S	S	*	*				76.5	138.2	129.5	-63.3	-175.2	34	0	0	123.5
569	T	24.1	Very low	24.9	Very low	124 Å²	124	137.5 Å²	137.5	76%	0.761	73%	0.725	S	S	*	*			trans	106.6	150.8	142.9	-26.3	0	0	0	0	119.8
570	I	25	Very low	24.9	Very low	141 Å²	141	139.8 Å²	139.8	72%	0.723	73%	0.729	S	S	*	*			trans	81.1	100.2	166	-46.4	-179.4	0	0	0	114.8
571	Q	23.6	Very low	25	Very low	152 Å²	152	140 Å²	140	71%	0.71	73%	0.725	S	S	*	*				69.2	147.2	70.5	-156.6	-178.2	11.7	0	0	114.9
572	Y	21.2	Very low	25	Very low	177 Å²	177	139.9 Å²	139.9	69%	0.694	72%	0.722	S	S	*	*			trans	75.1	159.1	179.1	-60.9	-85.7	0	0	0	116
573	Q	23.2	Very low	25.2	Very low	138 Å²	138	140.3 Å²	140.3	65%	0.645	73%	0.725	S	S	*	*			cis	160.4	134.6	-36.6	170.4	173.8	-23.2	0	0	108
574	E	22.8	Very low	25.5	Very low	146 Å²	146	141.2 Å²	141.2	68%	0.682	73%	0.725	S	S	*	*			trans	65.3	126.6	161.4	-74.9	175.5	123.6	0	0	123.4
575	I	24.5	Very low	25.7	Very low	117 Å²	117	138.1 Å²	138.1	60%	0.6	72%	0.718	S	S	*	*				59.4	115.6	129.9	-50.5	164	0	0	0	120.8
576	H	24.6	Very low	26	Very low	158 Å²	158	139 Å²	139	73%	0.731	72%	0.715	S	S	*	*				171	119.1	117.3	-91.7	-69.3	0	0	0	107.4
577	E	24	Very low	26.2	Very low	146 Å²	146	142.6 Å²	142.6	68%	0.682	72%	0.716	S	S	*	*				87.1	151.6	66.8	-83.7	-158.5	131.2	0	0	115.6
578	T	24.3	Very low	26.4	Very low	133 Å²	133	139 Å²	139	82%	0.816	71%	0.708	S	S	*	*			trans	74.7	143.1	173.7	75.1	0	0	0	0	117.8
579	S	24.3	Very low	26.7	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	71%	0.705	S	S	*	*			cis	-167.1	171.7	-22.7	55.5	0	0	0	0	112.1
580	L	26.2	Very low	27	Very low	148 Å²	148	136.8 Å²	136.8	78%	0.775	70%	0.695	S	S	*	*			trans	79.6	104.8	164.4	-91.9	70.5	0	0	0	120.6
581	D	27.1	Very low	27.4	Very low	129 Å²	129	137.7 Å²	137.7	69%	0.69	69%	0.694	S	S	*	*				56.8	126	112.6	-82.6	35.7	0	0	0	121.1
582	K	28.4	Very low	27.7	Very low	173 Å²	173	137.9 Å²	137.9	75%	0.752	70%	0.7	S	S	*	*			cis	-143.9	152.5	6.6	-58	-171.5	172.8	176.9	0	108.9
583	S	28.1	Very low	27.9	Very low	107 Å²	107	135.9 Å²	135.9	75%	0.748	70%	0.701	S	S	*	*				-157.1	176.1	58	55.1	0	0	0	0	115
584	H	31.7	Very low	28.1	Very low	164 Å²	164	139.3 Å²	139.3	76%	0.759	71%	0.708	S	S	*	*			trans	-81.5	148.6	-164.3	-61.3	-59.6	0	0	0	115.8
585	T	30.8	Very low	28.3	Very low	112 Å²	112	137.2 Å²	137.2	69%	0.687	71%	0.705	S	S	*	*			cis	90.2	130.6	17.9	72.5	0	0	0	0	116.9
586	N	31.3	Very low	28.4	Very low	127 Å²	127	138.5 Å²	138.5	68%	0.679	71%	0.714	S	S	*	*			cis	-177	166.7	-12.6	-155.8	15.5	0	0	0	113
587	Y	30.1	Very low	28.5	Very low	195 Å²	195	136.8 Å²	136.8	77%	0.765	71%	0.714	S	S	*	*			trans	63.4	164.7	143.6	-95.2	-144.9	0	0	0	122.2
588	S	31.8	Very low	28.7	Very low	78 Å²	78	136.6 Å²	136.6	55%	0.545	72%	0.718	S	S	.	*			cis	173.7	174.5	-23.3	57.2	0	0	0	0	114.4
589	E	33.4	Very low	28.8	Very low	143 Å²	143	136.1 Å²	136.1	67%	0.668	71%	0.714	S	S	*	*			trans	72.8	158.4	148.3	-74	-138.3	-171.1	0	0	120.9	K591	E589-K591 IonicContact OE2-NZ 3.11Å; E589-K591 PolarHBondContact OE2-NZ 3.43Å
590	T	30.1	Very low	28.9	Very low	89 Å²	89	139.5 Å²	139.5	55%	0.546	72%	0.719	S	S	.	*			cis	-164.6	172.5	-25.6	33.5	0	0	0	0	111.7
591	K	33.9	Very low	29	Very low	160 Å²	160	140.3 Å²	140.3	70%	0.696	72%	0.719	S	S	*	*			trans	73.6	168	150.5	-74.4	153.1	-162.4	132.5	0	116.6	E589	E589-K591 IonicContact OE2-NZ 3.11Å; E589-K591 PolarHBondContact OE2-NZ 3.43Å
592	N	29.4	Very low	29	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	71%	0.713	S	S	*	*			cis	-149.8	-158.4	-2.7	-133.6	-8.3	0	0	0	114.6
593	N	26.5	Very low	28.8	Very low	134 Å²	134	137 Å²	137	72%	0.717	71%	0.711	S	S	*	*			trans	-124.2	151.2	-166.1	-166	-2.8	0	0	0	112.9
594	R	27.4	Very low	28.7	Very low	210 Å²	210	141.9 Å²	141.9	79%	0.792	71%	0.713	S	S	*	*			trans	95.5	131.9	140.6	-153.8	164.9	-175.2	155.1	5.5	124
595	T	26.9	Very low	28.3	Very low	102 Å²	102	141.6 Å²	141.6	63%	0.626	71%	0.712	S	S	*	*			trans	74.6	114.8	149.5	45	0	0	0	0	125.6
596	D	26.5	Very low	28	Very low	145 Å²	145	139.5 Å²	139.5	78%	0.775	71%	0.713	S	S	*	*				87.4	127.6	116.7	-63.3	4	0	0	0	126.8
597	V	26.2	Very low	27.6	Very low	121 Å²	121	139.9 Å²	139.9	73%	0.733	72%	0.72	S	S	*	*			trans	87.2	98.1	144	174.7	0	0	0	0	122.8
598	D	27.4	Very low	27.4	Very low	143 Å²	143	136.2 Å²	136.2	77%	0.765	72%	0.718	S	S	*	*				59	151.9	127	-51.9	-25.3	0	0	0	127.8
599	V	26.6	Very low	27.2	Very low	122 Å²	122	140.2 Å²	140.2	74%	0.739	73%	0.733	S	S	*	*			trans	101.4	100	153.5	-169.2	0	0	0	0	120.4
600	E	28.1	Very low	27	Very low	171 Å²	171	137.6 Å²	137.6	80%	0.799	74%	0.735	S	S	*	*			trans	52.7	158	136.3	-62.2	-178.1	150.1	0	0	122
601	E	26.8	Very low	26.7	Very low	166 Å²	166	138.1 Å²	138.1	78%	0.776	75%	0.749	S	S	*	*			cis	-156.1	168.8	3.4	-139.3	-168	165.6	0	0	113.9
602	A	27.6	Very low	26.4	Very low	68 Å²	68	133.8 Å²	133.8	56%	0.562	75%	0.749	S	S	*	*			trans	68.9	125.6	140.2	0	0	0	0	0	126.1
603	F	23.7	Very low	27.1	Very low	164 Å²	164	132.2 Å²	132.2	72%	0.719	75%	0.748	S	S	*	*			trans	64	158.1	144.6	-83.2	-100.9	0	0	0	120.5
604	W	26.1	Very low	26.9	Very low	209 Å²	209	132.2 Å²	132.2	79%	0.792	75%	0.747	S	S	*	*			cis	-134.6	174	17.1	-109.3	100	0	0	0	114.7
605	E	23.9	Very low	26.8	Very low	159 Å²	159	128.7 Å²	128.7	74%	0.743	74%	0.743	S	S	*	*			trans	-80.7	-178.3	169	-46.2	173	128.6	0	0	113.1
606	G	23.6	Very low	26.7	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	75%	0.75	S	S	*	*			trans	126.4	80.3	143.3	0	0	0	0	0	120.3
607	T	24.5	Very low	26.4	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	75%	0.753	S	S	*	*				41.1	135.6	127.6	-48.6	0	0	0	0	123.5
608	T	25.8	Very low	26.2	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.724	76%	0.758	S	S	*	*			trans	-29.3	173.9	160.3	66.7	0	0	0	0	118.9
609	L	26.5	Very low	26	Very low	163 Å²	163	132.8 Å²	132.8	85%	0.853	75%	0.752	S	S	*	*			cis	-167.1	177.2	49	-128.4	171.7	0	0	0	114.4
610	A	28.6	Very low	25.8	Very low	88 Å²	88	133.9 Å²	133.9	73%	0.727	76%	0.76	S	S	*	*			trans	-68.6	179.9	-165.4	0	0	0	0	0	119.5
611	A	24.1	Very low	25.6	Very low	100 Å²	100	134.4 Å²	134.4	83%	0.826	76%	0.762	S	S	*	*			trans	-145	138.6	140.2	0	0	0	0	0	111.7
612	G	28.7	Very low	25.5	Very low	69 Å²	69	131.1 Å²	131.1	71%	0.711	76%	0.763	S	S	*	*			trans	-91.6	-133.6	166.6	0	0	0	0	0	110.9
613	P	42.9	Very low	25.2	Very low	123 Å²	123	133 Å²	133	80%	0.799	77%	0.772	S	S	*	*			cis	-119.6	-131.8	10.1	20.4	7.7	0	0	0	110.7
614	L	23.9	Very low	25.4	Very low	134 Å²	134	133.7 Å²	133.7	70%	0.702	78%	0.778	S	S	*	*			cis	-167.6	129.9	6.1	-168.6	118.1	0	0	0	113.1
615	L	24.7	Very low	25.3	Very low	136 Å²	136	129 Å²	129	71%	0.712	77%	0.768	S	S	*	*			trans	65.2	156.8	163.7	-66.9	177.9	0	0	0	119.3
616	Q	24.1	Very low	25.5	Very low	163 Å²	163	130.1 Å²	130.1	76%	0.762	77%	0.77	S	S	*	*			cis	-143.4	167.6	1	-154.2	135.8	-0.5	0	0	113.5
617	M	21.4	Very low	25.5	Very low	171 Å²	171	130.7 Å²	130.7	84%	0.842	78%	0.776	S	S	*	*			trans	-71.6	158.4	171.5	-56.4	154	163.7	0	0	113.3
618	D	22.1	Very low	25.4	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	78%	0.778	S	S	*	*				-157.7	-173.1	110.1	-142.2	-28.6	0	0	0	112.4
619	T	22	Very low	25.9	Very low	104 Å²	104	130.2 Å²	130.2	64%	0.638	78%	0.781	S	S	*	*			trans	-137.3	146.8	-145.1	-34.3	0	0	0	0	112.9
620	T	23.4	Very low	25.8	Very low	146 Å²	146	126.4 Å²	126.4	90%	0.896	77%	0.772	S	S	*	*			trans	-167.9	161.1	148	4.9	0	0	0	0	113.4
621	Q	23.7	Very low	25.6	Very low	182 Å²	182	127.8 Å²	127.8	85%	0.85	77%	0.772	S	S	*	*			trans	-132.9	163.5	180	-67.9	-179.3	-46.8	0	0	111.9
622	A	23.7	Very low	25.7	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	77%	0.773	S	S	*	*			trans	69.4	161.7	162.6	0	0	0	0	0	116.1
623	S	22.8	Very low	25.5	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	78%	0.78	S	S	*	*			cis	-146.3	178.8	15.3	-51.6	0	0	0	0	114
624	Q	26.6	Very low	24.7	Very low	178 Å²	178	137.5 Å²	137.5	83%	0.832	78%	0.78	S	S	*	*			trans	-39.3	166.4	165.1	-55.9	156.6	-28	0	0	114.9
625	D	25.3	Very low	25.7	Very low	110 Å²	110	135.6 Å²	135.6	59%	0.588	78%	0.776	S	S	*	*			cis	-167.5	166.2	31.6	-156.6	1.7	0	0	0	114
626	K	26.4	Very low	25.8	Very low	182 Å²	182	134.5 Å²	134.5	79%	0.791	78%	0.775	S	S	*	*			trans	39.8	132	157.3	-76.2	157.6	-170.8	123.6	0	122.7
627	G	24.8	Very low	25.9	Very low	80 Å²	80	132.4 Å²	132.4	83%	0.825	77%	0.774	S	S	*	*			trans	147.2	101.1	133.8	0	0	0	0	0	119.4
628	S	22.5	Very low	26.3	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	77%	0.773	S	S	*	*			trans	-87.1	158.3	153	-39.4	0	0	0	0	109
629	P	35.7	Very low	26.5	Very low	121 Å²	121	134 Å²	134	79%	0.786	78%	0.775	S	S	*	*				-155.3	173.7	58.2	44	-23.1	0	0	0	119.3
630	A	24.7	Very low	27.6	Very low	82 Å²	82	135 Å²	135	68%	0.678	78%	0.782	S	S	*	*			trans	51.6	107.1	138.3	0	0	0	0	0	122.9
631	T	23.5	Very low	27.8	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.724	78%	0.776	S	S	*	*			trans	45.8	121.5	131.7	45	0	0	0	0	123.1
632	Q	26.7	Very low	28.1	Very low	180 Å²	180	134 Å²	134	84%	0.841	78%	0.776	S	S	*	*				56.2	130.7	128.8	-65.4	-179.7	-21.9	0	0	121.2
633	E	23.9	Very low	29	Very low	186 Å²	186	133.6 Å²	133.6	87%	0.869	77%	0.773	S	S	*	*				-159.2	172.1	106.9	-115.4	177.8	-156.5	0	0	112.6
634	T	27.7	Very low	29.5	Very low	130 Å²	130	135.4 Å²	135.4	80%	0.798	76%	0.764	S	S	*	*			trans	-104.7	-128.2	174	51.4	0	0	0	0	107.8
635	P	45	Very low	29.6	Very low	94 Å²	94	130.4 Å²	130.4	61%	0.61	75%	0.749	S	S	*	*			cis	-119.1	-174.9	-44.7	21.8	1.6	0	0	0	111.3
636	T	25.6	Very low	30	Very low	113 Å²	113	131.6 Å²	131.6	69%	0.693	76%	0.76	S	S	*	*				165.5	143.9	83	43	0	0	0	0	109
637	T	27.2	Very low	30.2	Very low	119 Å²	119	134.1 Å²	134.1	73%	0.73	77%	0.765	S	S	*	*				166.3	164.3	90.1	37.8	0	0	0	0	106.8
638	K	28.3	Very low	30.7	Very low	193 Å²	193	134 Å²	134	84%	0.839	75%	0.748	S	S	*	*			cis	-157.3	167.8	6.7	-129.1	163.1	-174.6	172.4	0	109
639	L	26.5	Very low	31.7	Very low	168 Å²	168	132.6 Å²	132.6	88%	0.88	74%	0.736	S	S	*	*			trans	-116.1	168	169.2	-146.9	80.7	0	0	0	112.4
640	T	45.3	Very low	31.2	Very low	127 Å²	127	130.1 Å²	130.1	78%	0.779	72%	0.721	S	S	*	*			trans	-81.6	158.1	-171.7	54.4	0	0	0	0	116.1
641	S	28.4	Very low	31.6	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	73%	0.726	S	S	*	*			trans	-163.2	144.6	149.7	61.1	0	0	0	0	115
642	K	28.8	Very low	32	Very low	193 Å²	193	130.7 Å²	130.7	84%	0.839	73%	0.725	S	S	*	*			trans	36.8	140.2	156.1	-60.2	178	-179.5	177.2	0	120.9
643	A	42.6	Very low	32.3	Very low	89 Å²	89	128.1 Å²	128.1	74%	0.736	73%	0.727	S	S	*	*			cis	84	78.7	24.3	0	0	0	0	0	117.5
644	Y	33.2	Very low	32.8	Very low	146 Å²	146	122.6 Å²	122.6	57%	0.573	72%	0.72	S	S	*	*			trans	-121.4	145.5	143.3	-78.8	-97	0	0	0	105.5	P649 S650	Y644-P649 VanDerWaalsContact CE1-C 3.46Å; Y644-S650 VanDerWaalsContact CE1-N 3.31Å; Y644-S650 PolarHBondContact OH-O 2.84Å
645	S	30.3	Very low	32.7	Very low	74 Å²	74	123.2 Å²	123.2	52%	0.517	72%	0.718	S	S	.	*			cis	73.8	88	32.1	82.2	0	0	0	0	115.6	W647 T648	S645-W647 CarbonylContact O-C 3.31Å; S645-T648 PolarHBondContact O-N 3.02Å
646	V	32.3	Very low	32	Very low	135 Å²	135	125.2 Å²	125.2	82%	0.818	72%	0.722	S	S	*	*	S	Bend	trans	-105.2	117.9	137.1	171.6	0	0	0	0	105.2	T648	V646-T648 HydrophobicContact CG1-CG2 4.39Å
647	W	31.7	Very low	32.1	Very low	234 Å²	234	128.1 Å²	128.1	89%	0.886	73%	0.726	S	S	*	*	S	Bend	cis	-73.1	107.8	4.7	-70.5	53	0	0	0	110.9	S645	S645-W647 CarbonylContact O-C 3.31Å
648	T	34.4	Very low	32.3	Very low	78 Å²	78	129.9 Å²	129.9	48%	0.479	73%	0.726	S	S	.	*				68.2	142.9	87	57.6	0	0	0	0	115.7	S645 V646	S645-T648 PolarHBondContact O-N 3.02Å; V646-T648 HydrophobicContact CG1-CG2 4.39Å
649	P	43.5	Very low	32.5	Very low	93 Å²	93	124.2 Å²	124.2	60%	0.604	72%	0.715	S	S	*	*			cis	-139.7	169.4	-22.4	39.2	-21.4	0	0	0	116	Y644	Y644-P649 VanDerWaalsContact CE1-C 3.46Å
650	S	26.3	Very low	32.8	Very low	68 Å²	68	125.3 Å²	125.3	48%	0.476	71%	0.712	S	S	.	*			trans	53.3	157.1	146.4	73.8	0	0	0	0	124.6	Y644	Y644-S650 VanDerWaalsContact CE1-N 3.31Å; Y644-S650 PolarHBondContact OH-O 2.84Å
651	D	32.1	Very low	32	Very low	145 Å²	145	125.5 Å²	125.5	78%	0.775	71%	0.708	S	S	*	*			trans	76.5	142.5	153.1	-49.6	-47.8	0	0	0	123.6
652	G	32	Very low	32.1	Very low	68 Å²	68	128.8 Å²	128.8	70%	0.701	71%	0.708	S	S	*	*			trans	95.9	118.2	167.1	0	0	0	0	0	115.5
653	S	33.9	Very low	32.1	Very low	126 Å²	126	124.8 Å²	124.8	88%	0.881	70%	0.7	S	S	*	*			cis	84.7	131.6	34.2	88	0	0	0	0	115.5
654	G	33.4	Very low	31.4	Very low	70 Å²	70	127 Å²	127	72%	0.722	70%	0.699	S	S	*	*			trans	78.1	152.2	175.4	0	0	0	0	0	115.5
655	D	25.7	Very low	31.2	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	71%	0.709	S	S	*	*			cis	54	148.9	2.3	-158.5	16.4	0	0	0	117
656	I	29.8	Very low	31.2	Very low	135 Å²	135	132.2 Å²	132.2	69%	0.692	72%	0.724	S	S	*	*			trans	64.7	140.1	169.9	-77.9	163.7	0	0	0	115.5
657	F	27.9	Very low	30.9	Very low	175 Å²	175	130.6 Å²	130.6	77%	0.768	72%	0.718	S	S	*	*			cis	-178.1	-152.2	-19.1	-145.7	-114.3	0	0	0	104.4
658	Q	31.8	Very low	30.7	Very low	155 Å²	155	126.2 Å²	126.2	72%	0.724	71%	0.711	S	S	*	*			trans	71	130.7	162.6	-49.3	-60.7	-18.5	0	0	116.2
659	A	33.6	Very low	30.3	Very low	74 Å²	74	129.1 Å²	129.1	61%	0.612	72%	0.72	S	S	*	*			cis	-159.3	171.8	-14.9	0	0	0	0	0	107.2
660	K	31.7	Very low	29.5	Very low	191 Å²	191	131.9 Å²	131.9	83%	0.83	72%	0.722	S	S	*	*			cis	-136.8	140.3	15.7	-102.7	123.9	177.5	-179.4	0	108.3
661	L	29.2	Very low	29.7	Very low	131 Å²	131	135.9 Å²	135.9	69%	0.686	73%	0.733	S	S	*	*				82.7	115.4	63.2	-148.2	98.1	0	0	0	113.4
662	K	30.5	Very low	29.6	Very low	181 Å²	181	138 Å²	138	79%	0.787	74%	0.735	S	S	*	*			trans	78	155.2	163.2	-56.5	-169	179.4	-179.1	0	120.1
663	T	28.9	Very low	29.4	Very low	109 Å²	109	142.8 Å²	142.8	67%	0.669	74%	0.743	S	S	*	*			cis	-173.1	159.8	-29.3	-76.1	0	0	0	0	107.1
664	L	27.9	Very low	29.3	Very low	137 Å²	137	144.4 Å²	144.4	72%	0.717	74%	0.741	S	S	*	*			trans	111.4	110.9	158.6	-78.6	110.2	0	0	0	118.2
665	Q	29.3	Very low	30.3	Very low	168 Å²	168	146.2 Å²	146.2	79%	0.785	74%	0.74	S	S	*	*				1.8	135.3	122.2	-66.8	166.5	-87	0	0	117.8
666	I	29	Very low	30.5	Very low	161 Å²	161	147.8 Å²	147.8	83%	0.826	75%	0.745	S	S	*	*				-173.2	166.4	106.9	-96.6	161.5	0	0	0	109.6
667	S	25.7	Very low	30.7	Very low	100 Å²	100	147.3 Å²	147.3	70%	0.699	75%	0.748	S	S	*	*			trans	-109.3	178.2	-175.5	-169.4	0	0	0	0	112.7
668	L	28.2	Very low	30.8	Very low	142 Å²	142	147.3 Å²	147.3	74%	0.743	75%	0.748	S	S	*	*			trans	80.3	119.4	159.9	-67	156.8	0	0	0	121.1
669	Q	25.9	Very low	30.8	Very low	140 Å²	140	145.4 Å²	145.4	65%	0.654	75%	0.747	S	S	*	*			trans	77.7	133.5	130.3	-80.3	-167.2	9.1	0	0	124.2
670	K	27.6	Very low	30.7	Very low	151 Å²	151	149.3 Å²	149.3	66%	0.657	75%	0.75	S	S	*	*				92.7	137.2	129.3	-88	172.4	178.1	149.7	0	122
671	H	28.8	Very low	30.6	Very low	152 Å²	152	149.8 Å²	149.8	70%	0.704	75%	0.748	S	S	*	*			trans	57.8	121.5	151.9	-63.4	-51.9	0	0	0	118.6
672	K	30.7	Very low	30.6	Very low	189 Å²	189	149.7 Å²	149.7	82%	0.822	75%	0.752	S	S	*	*				47.3	101.7	84.2	-83.7	-166.6	175.5	-175.8	0	112.9
673	I	28.7	Very low	30.5	Very low	169 Å²	169	149.8 Å²	149.8	87%	0.867	75%	0.753	S	S	*	*			trans	-160.4	123	142.7	-102	146.9	0	0	0	110.4
674	L	31.1	Very low	30.6	Very low	159 Å²	159	152.1 Å²	152.1	83%	0.832	76%	0.758	S	S	*	*			trans	-102	171.5	149.6	-122.3	76.2	0	0	0	105.8
675	P	55.4	Low	30.9	Very low	108 Å²	108	152.6 Å²	152.6	70%	0.701	76%	0.761	S	S	*	*			cis	-130.4	-170.5	-21.2	41.7	-26.4	0	0	0	111.4
676	M	29.8	Very low	31.1	Very low	177 Å²	177	150.1 Å²	150.1	87%	0.872	76%	0.757	S	S	*	*			trans	-177.9	153.1	155.5	-108.1	176.9	-151.7	0	0	109.7
677	V	33.4	Very low	31.2	Very low	125 Å²	125	149 Å²	149	76%	0.758	75%	0.752	S	S	*	*			cis	-133	146.7	5.2	-178.5	0	0	0	0	112.2
678	F	29	Very low	31.6	Very low	174 Å²	174	147.7 Å²	147.7	76%	0.763	74%	0.742	S	S	*	*			trans	-31.3	152.1	167.1	-74.4	-122	0	0	0	118.8
679	V	31.8	Very low	31.7	Very low	116 Å²	116	149.8 Å²	149.8	70%	0.703	74%	0.742	S	S	*	*			cis	78.2	121.6	39.7	178.5	0	0	0	0	111.8
680	K	32.3	Very low	31.8	Very low	156 Å²	156	151.5 Å²	151.5	68%	0.678	75%	0.747	S	S	*	*				179.8	178.4	63.2	-146.6	160.8	-169.5	175.3	0	113.6
681	Y	28.8	Very low	31.8	Very low	201 Å²	201	154.7 Å²	154.7	79%	0.788	76%	0.755	S	S	*	*			trans	77.7	150.1	153.8	-71.4	-51.6	0	0	0	119.8
682	V	30.4	Very low	31.6	Very low	128 Å²	128	152.4 Å²	152.4	78%	0.776	76%	0.755	S	S	*	*			cis	-136.4	141.9	3.1	-172.1	0	0	0	0	113.6
683	K	28.3	Very low	31.5	Very low	183 Å²	183	149 Å²	149	80%	0.796	75%	0.75	S	S	*	*			trans	-13.9	150.6	150.9	-138.9	178.5	-170.8	-179.3	0	121.9
684	M	30.3	Very low	31.4	Very low	159 Å²	159	147.7 Å²	147.7	78%	0.783	75%	0.745	S	S	*	*			trans	113.4	148.9	148.9	-63.8	-73.9	-79.2	0	0	119.6
685	L	33.8	Very low	31.3	Very low	146 Å²	146	148.4 Å²	148.4	76%	0.764	74%	0.742	S	S	*	*			trans	75.3	134.8	171.8	-61.8	166	0	0	0	116.8
686	V	34	Very low	30	Very low	117 Å²	117	152.1 Å²	152.1	71%	0.709	75%	0.747	S	S	*	*			cis	83.5	115.8	43.3	163.7	0	0	0	0	109.5
687	L	32.4	Very low	29.9	Very low	138 Å²	138	152 Å²	152	72%	0.723	74%	0.742	S	S	*	*			cis	-148.9	142.4	25.7	-89.6	148.5	0	0	0	111
688	S	32.4	Very low	29.5	Very low	71 Å²	71	154.2 Å²	154.2	50%	0.497	75%	0.747	S	S	.	*				70	144.1	79.9	90.9	0	0	0	0	117.1
689	Y	31.2	Very low	29.4	Very low	187 Å²	187	150 Å²	150	73%	0.733	74%	0.74	S	S	*	*			cis	-119.2	-145.1	6.2	-64.6	-87.9	0	0	0	110.3
690	F	27.9	Very low	29.1	Very low	176 Å²	176	149.8 Å²	149.8	77%	0.772	74%	0.742	S	S	*	*			cis	-154.9	150.8	-3.8	-108	-52	0	0	0	105.2
691	R	27.5	Very low	28.8	Very low	218 Å²	218	150.8 Å²	150.8	82%	0.823	75%	0.747	S	S	*	*			cis	70.6	136.8	15.9	-63.7	-171.3	175.6	-166.9	-2.1	115.3
692	C	24.7	Very low	28.8	Very low	104 Å²	104	147.9 Å²	147.9	70%	0.703	74%	0.744	S	S	*	*			cis	-164.4	176.9	-3.1	-109	0	0	0	0	107.6
693	T	29.2	Very low	28.8	Very low	116 Å²	116	148.4 Å²	148.4	71%	0.712	74%	0.741	S	S	*	*			cis	-159.3	141.5	8.7	-0.2	0	0	0	0	107.4
694	N	26.8	Very low	28.7	Very low	142 Å²	142	145.1 Å²	145.1	76%	0.759	73%	0.732	S	S	*	*				71.6	161.6	97	-156.7	9.6	0	0	0	117.4
695	K	28.7	Very low	28.8	Very low	175 Å²	175	146.2 Å²	146.2	76%	0.761	73%	0.728	S	S	*	*			trans	-60.2	144.1	-172.3	-55.5	167.3	-178.5	179.5	0	115
696	F	26.7	Very low	28.5	Very low	186 Å²	186	147.9 Å²	147.9	82%	0.816	73%	0.725	S	S	*	*				172.3	172.3	111	-114.7	-93.5	0	0	0	113.7
697	K	27.9	Very low	28.2	Very low	174 Å²	174	149.1 Å²	149.1	76%	0.757	73%	0.727	S	S	*	*			trans	-57.7	153.1	175.2	-50.9	171	-179.9	-178.5	0	113.5
698	I	26.3	Very low	27.9	Very low	171 Å²	171	147 Å²	147	88%	0.877	72%	0.724	S	S	*	*				-177.8	155	112.8	-94.6	159.2	0	0	0	112.1
699	S	26.2	Very low	27.6	Very low	86 Å²	86	152.4 Å²	152.4	60%	0.601	74%	0.739	S	S	*	*			trans	-78.1	146.5	-179.4	161.9	0	0	0	0	114.2
700	C	24.6	Very low	27.5	Very low	112 Å²	112	148.2 Å²	148.2	76%	0.757	74%	0.736	S	S	*	*				-178.2	131.6	121.2	-92.9	0	0	0	0	109.6
701	F	26.8	Very low	27.6	Very low	177 Å²	177	144.8 Å²	144.8	78%	0.776	73%	0.734	S	S	*	*				53.6	118.7	81.5	-90.7	-83.3	0	0	0	112.3
702	L	29.1	Very low	27.7	Very low	140 Å²	140	140.6 Å²	140.6	73%	0.733	73%	0.728	S	S	*	*				-174.6	150.3	80.3	-82.5	169.4	0	0	0	112.1
703	I	29.4	Very low	28	Very low	138 Å²	138	146.4 Å²	146.4	71%	0.708	74%	0.735	S	S	*	*			trans	66.2	132.5	138.1	-69.7	171.9	0	0	0	118.3
704	D	26.6	Very low	28	Very low	115 Å²	115	149 Å²	149	62%	0.615	74%	0.739	S	S	*	*			cis	-161.5	171.7	-5.8	-131.2	-15	0	0	0	113.5
705	R	31.9	Very low	28.2	Very low	182 Å²	182	148.2 Å²	148.2	69%	0.687	74%	0.739	S	S	*	*			trans	14	154.7	138.3	-69	165.7	-166.5	-113.1	-0.4	121.7
706	Y	27.4	Very low	28.4	Very low	181 Å²	181	147.1 Å²	147.1	71%	0.71	74%	0.742	S	S	*	*			cis	-170.1	159.7	-4.4	-121.5	-162.3	0	0	0	111.6
707	L	28.9	Very low	28.3	Very low	142 Å²	142	148.1 Å²	148.1	74%	0.743	75%	0.746	S	S	*	*			trans	53.2	113.2	142.2	-70.7	-179.2	0	0	0	124
708	S	26.4	Very low	28.4	Very low	95 Å²	95	147.9 Å²	147.9	66%	0.664	75%	0.745	S	S	*	*				104	162.3	110.8	-155.1	0	0	0	0	122
709	F	26.5	Very low	28.5	Very low	184 Å²	184	147.5 Å²	147.5	81%	0.807	74%	0.737	S	S	*	*			trans	79.2	80.1	168.8	-73.5	-74	0	0	0	121.2
710	S	27.6	Very low	28.6	Very low	98 Å²	98	150.9 Å²	150.9	69%	0.685	74%	0.743	S	S	*	*			trans	-0.2	132.3	135	59.4	0	0	0	0	121.7
711	S	30	Very low	28.8	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	74%	0.743	S	S	*	*			trans	65	128.3	130.5	-163	0	0	0	0	121.2
712	L	30.6	Very low	28.7	Very low	131 Å²	131	148.3 Å²	148.3	69%	0.686	74%	0.743	S	S	*	*				171.3	127.5	114	-90.7	160.1	0	0	0	114.4
713	R	29.7	Very low	28.6	Very low	225 Å²	225	146.2 Å²	146.2	85%	0.849	74%	0.74	S	S	*	*			trans	60.3	150.2	155.5	-53.9	177	-163.9	176.4	8.6	118.9
714	H	30.8	Very low	28.6	Very low	172 Å²	172	147.5 Å²	147.5	80%	0.796	74%	0.741	S	S	*	*			cis	116	145	13	-129.8	-80.8	0	0	0	113
715	T	29.9	Very low	28.7	Very low	124 Å²	124	150.9 Å²	150.9	76%	0.761	75%	0.745	S	S	*	*			trans	79.1	142.1	168.3	59.8	0	0	0	0	120.2
716	D	32.8	Very low	28.6	Very low	153 Å²	153	147.9 Å²	147.9	82%	0.818	74%	0.739	S	S	*	*			trans	-88.8	173	-171.4	-39.7	-106.3	0	0	0	113.5
717	F	25.9	Very low	28.6	Very low	207 Å²	207	147.3 Å²	147.3	91%	0.908	74%	0.74	S	S	*	*			trans	-164.9	176.4	134.2	-128	-97.4	0	0	0	114.1
718	F	29.1	Very low	28.5	Very low	168 Å²	168	147.9 Å²	147.9	74%	0.737	74%	0.739	S	S	*	*			trans	-103.1	148.3	-161.6	-114.3	-114.4	0	0	0	116.5
719	K	28.5	Very low	28.5	Very low	164 Å²	164	149.2 Å²	149.2	71%	0.713	74%	0.743	S	S	*	*			trans	58.6	112.9	145.4	-87	-173.5	178.9	-179.9	0	123.9
720	Q	28.4	Very low	28.5	Very low	156 Å²	156	149.9 Å²	149.9	73%	0.729	75%	0.749	S	S	*	*				92.6	145.1	105.8	-149.5	-170.9	-20.3	0	0	122.6
721	V	27.8	Very low	28.5	Very low	124 Å²	124	150 Å²	150	75%	0.752	76%	0.756	S	S	*	*			trans	100	130.4	154.5	-169.8	0	0	0	0	119.6
722	S	26	Very low	28.3	Very low	112 Å²	112	149.2 Å²	149.2	78%	0.783	76%	0.756	S	S	*	*			trans	77.4	139.7	155.8	167.1	0	0	0	0	120.1
723	S	27.6	Very low	28	Very low	95 Å²	95	148.7 Å²	148.7	66%	0.664	76%	0.758	S	S	*	*			cis	-173.7	165	-15.8	-166.3	0	0	0	0	112.6
724	K	28.9	Very low	27.7	Very low	165 Å²	165	147.7 Å²	147.7	72%	0.717	76%	0.76	S	S	*	*			trans	77.1	123.9	154.4	-83.2	177.4	179.4	172.9	0	123
725	R	29.2	Very low	27.6	Very low	186 Å²	186	145.6 Å²	145.6	70%	0.702	76%	0.76	S	S	*	*				88.1	142.3	127	-75.5	-168.1	163.1	-178.9	-16	121.7
726	E	29.5	Very low	27.4	Very low	120 Å²	120	144.8 Å²	144.8	56%	0.561	76%	0.759	S	S	*	*			cis	-167.6	174	-18	-137.3	157	-136.5	0	0	109.5
727	F	26.9	Very low	27.2	Very low	168 Å²	168	142.3 Å²	142.3	74%	0.737	75%	0.754	S	S	*	*			trans	69.3	142.3	174.8	-67.1	-81.3	0	0	0	117.5
728	E	26.1	Very low	27.5	Very low	155 Å²	155	137.4 Å²	137.4	72%	0.724	75%	0.745	S	S	*	*			cis	-151.5	122.3	-1.8	-148.5	152.2	-138	0	0	106.8
729	T	26.7	Very low	27.4	Very low	123 Å²	123	138.8 Å²	138.8	76%	0.755	75%	0.754	S	S	*	*				42.2	141.5	88	40.4	0	0	0	0	116.2
730	E	26.2	Very low	27.4	Very low	197 Å²	197	136.1 Å²	136.1	92%	0.921	76%	0.756	S	S	*	*			cis	-127.9	-174.5	21.4	-65.9	-174.1	119.6	0	0	114.9
731	A	27.4	Very low	27.4	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	76%	0.757	S	S	*	*			trans	-129	153.9	-174.7	0	0	0	0	0	113.4
732	A	26	Very low	27.5	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	76%	0.761	S	S	*	*			trans	-150.5	118.1	169.7	0	0	0	0	0	114.5
733	T	24	Very low	27.8	Very low	119 Å²	119	132.3 Å²	132.3	73%	0.73	77%	0.765	S	S	*	*			trans	52.2	124.3	135.7	58.8	0	0	0	0	123.5
734	F	23.8	Very low	27.8	Very low	204 Å²	204	130.6 Å²	130.6	90%	0.895	76%	0.762	S	S	*	*			trans	79.3	143.8	133.3	-88.3	-103.8	0	0	0	122.1
735	T	28.7	Very low	27.9	Very low	128 Å²	128	132.5 Å²	132.5	79%	0.785	77%	0.77	S	S	*	*			trans	-102.2	145.4	-178.9	50	0	0	0	0	113
736	S	25	Very low	27.9	Very low	108 Å²	108	129.5 Å²	129.5	76%	0.755	77%	0.773	S	S	*	*			trans	-153	140.6	149	62.6	0	0	0	0	108.4
737	S	28.9	Very low	27.8	Very low	101 Å²	101	128.6 Å²	128.6	71%	0.706	79%	0.786	S	S	*	*			cis	71.9	133.4	22.4	87.9	0	0	0	0	115.1
738	S	32.4	Very low	28.1	Very low	103 Å²	103	130.2 Å²	130.2	72%	0.72	79%	0.793	S	S	*	*			cis	-179	162.5	-9.6	42	0	0	0	0	108.3
739	Q	27	Very low	29.4	Very low	197 Å²	197	128.3 Å²	128.3	92%	0.921	79%	0.793	S	S	*	*			trans	-137	144.2	156.8	-66.4	-175.1	-5.4	0	0	108
740	S	29.1	Very low	29.5	Very low	108 Å²	108	129.3 Å²	129.3	76%	0.755	80%	0.799	S	S	*	*			cis	-119.4	-175.6	-1.8	61.8	0	0	0	0	110
741	S	28.5	Very low	29.7	Very low	107 Å²	107	123.3 Å²	123.3	75%	0.748	79%	0.79	S	S	*	*			cis	-151.4	160.2	15.2	-44.2	0	0	0	0	111.4
742	A	30	Very low	29.7	Very low	101 Å²	101	124.1 Å²	124.1	84%	0.835	79%	0.79	S	S	*	*			trans	-82.9	165.5	165.3	0	0	0	0	0	111
743	A	31.8	Very low	29.9	Very low	105 Å²	105	124.4 Å²	124.4	87%	0.868	79%	0.792	S	S	*	*			cis	-165.1	170.6	-15.9	0	0	0	0	0	106.3
744	G	28.4	Very low	30.1	Very low	58 Å²	58	125.8 Å²	125.8	60%	0.598	80%	0.8	S	S	*	*			cis	177.4	-162.4	3.1	0	0	0	0	0	109.5
745	F	29.6	Very low	30.4	Very low	205 Å²	205	119.8 Å²	119.8	90%	0.899	79%	0.788	S	S	*	*			trans	67.9	145.7	177.9	-65.3	-87.8	0	0	0	117.1
746	T	29.3	Very low	30.3	Very low	124 Å²	124	119 Å²	119	76%	0.761	79%	0.788	S	S	*	*			cis	-161.7	166.8	-33.4	10.2	0	0	0	0	110.1
747	A	28.5	Very low	30.4	Very low	100 Å²	100	119.7 Å²	119.7	83%	0.826	79%	0.788	S	S	*	*			trans	84.8	129.4	158.5	0	0	0	0	0	121
748	K	32.9	Very low	30.6	Very low	203 Å²	203	121.1 Å²	121.1	88%	0.883	79%	0.792	S	S	*	*			trans	-114.8	-174.2	162.5	-93.7	-176.2	176.4	-179.1	0	106.3
749	P	53.5	Low	31.6	Very low	114 Å²	114	121.7 Å²	121.7	74%	0.74	79%	0.794	S	S	*	*			cis	-152.1	-160.6	25.5	32	-2.9	0	0	0	117.6
750	V	29.6	Very low	31.6	Very low	145 Å²	145	120.5 Å²	120.5	88%	0.879	79%	0.788	S	S	*	*			trans	89.2	137.3	155.9	-164.1	0	0	0	0	119.4
751	G	28.9	Very low	31.6	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	79%	0.788	S	S	*	*			trans	160.3	123.5	160.9	0	0	0	0	0	114.4
752	S	27.1	Very low	31.6	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	78%	0.783	S	S	*	*			trans	-119.9	135.4	-173.2	-62.3	0	0	0	0	114.9
753	A	30.8	Very low	31.6	Very low	93 Å²	93	126 Å²	126	77%	0.769	78%	0.78	S	S	*	*			trans	43.2	165.9	131.7	0	0	0	0	0	124.4
754	V	28.1	Very low	32.7	Very low	147 Å²	147	126.4 Å²	126.4	89%	0.891	77%	0.774	S	S	*	*			trans	81.8	139.8	164.3	-174.1	0	0	0	0	116.1
755	A	30.2	Very low	32.7	Very low	79 Å²	79	131 Å²	131	65%	0.653	79%	0.785	S	S	*	*			cis	-171.6	-170.7	-27.8	0	0	0	0	0	110
756	S	26.1	Very low	33.7	Very low	112 Å²	112	125.7 Å²	125.7	78%	0.783	77%	0.771	S	S	*	*			trans	77.5	154.8	167.2	79.3	0	0	0	0	118.4
757	T	28.8	Very low	33.6	Very low	122 Å²	122	125.9 Å²	125.9	75%	0.748	77%	0.772	S	S	*	*				-169.1	131.2	-58.1	18.7	0	0	0	0	110.5
758	T	31.2	Very low	33.6	Very low	130 Å²	130	128.7 Å²	128.7	80%	0.798	77%	0.772	S	S	*	*			trans	28.4	172	136.6	48.2	0	0	0	0	122.9
759	P	53.6	Low	33.1	Very low	115 Å²	115	123.5 Å²	123.5	75%	0.747	76%	0.762	S	S	*	*			cis	-124.5	-163.5	3.9	42.8	-25.6	0	0	0	112.9
760	Q	27.7	Very low	31.7	Very low	173 Å²	173	122.9 Å²	122.9	81%	0.808	76%	0.76	S	S	*	*			cis	-121.6	-177.8	-4	-69.6	-175.2	-96	0	0	109
761	R	30	Very low	31.6	Very low	197 Å²	197	122.5 Å²	122.5	74%	0.743	76%	0.758	S	S	*	*			cis	75.1	133.9	22.8	-90.4	-158.6	156	-134.3	-9.3	114.9
762	E	27.2	Very low	31.3	Very low	141 Å²	141	124.9 Å²	124.9	66%	0.659	76%	0.763	S	S	*	*			cis	-140.4	-169.1	-9.8	-80.2	170.5	-89.9	0	0	107.7
763	A	31.3	Very low	31.4	Very low	92 Å²	92	130 Å²	130	76%	0.76	77%	0.765	S	S	*	*			cis	-155.4	176.7	15.6	0	0	0	0	0	111.4
764	P	55.3	Low	31.6	Very low	114 Å²	114	134 Å²	134	74%	0.74	77%	0.767	S	S	*	*			trans	-115.6	165.4	-164.9	41.3	-32.9	0	0	0	117.9
765	D	26.4	Very low	31.7	Very low	154 Å²	154	136.5 Å²	136.5	82%	0.824	77%	0.769	S	S	*	*			trans	64.6	167.6	155.8	-94.4	-18.5	0	0	0	119.6
766	P	51.7	Low	31.5	Very low	95 Å²	95	136.1 Å²	136.1	62%	0.617	77%	0.773	S	S	*	*			cis	-137.8	178.8	-31.6	35.5	-16.8	0	0	0	115
767	T	27.5	Very low	31.6	Very low	127 Å²	127	135.8 Å²	135.8	78%	0.779	77%	0.77	S	S	*	*			trans	58.1	125.5	149.3	46.5	0	0	0	0	124.2
768	L	28.1	Very low	31.7	Very low	159 Å²	159	136.3 Å²	136.3	83%	0.832	77%	0.773	S	S	*	*				68	139.5	128.1	-149.2	77.9	0	0	0	122.9
769	S	23.3	Very low	31.7	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	77%	0.772	S	S	*	*			trans	77.5	116.7	147.8	52.2	0	0	0	0	122.9
770	S	24.2	Very low	30.8	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	77%	0.768	S	S	*	*			trans	57.5	122.9	130.9	66.9	0	0	0	0	123.6
771	V	25.6	Very low	31.1	Very low	137 Å²	137	132.5 Å²	132.5	83%	0.83	76%	0.764	S	S	*	*				60.3	110.3	129.8	-176.6	0	0	0	0	119
772	S	23.5	Very low	31.3	Very low	121 Å²	121	128.9 Å²	128.9	85%	0.846	76%	0.763	S	S	*	*				-156.2	154.2	128.4	-0.2	0	0	0	0	110.5
773	R	29.1	Very low	31.6	Very low	227 Å²	227	130.7 Å²	130.7	86%	0.857	77%	0.772	S	S	*	*			trans	-106.6	162.5	170.8	-99.5	178.9	170.5	166.5	-3.3	109.4
774	H	35.1	Very low	31.7	Very low	175 Å²	175	135 Å²	135	81%	0.81	78%	0.776	S	S	*	*			trans	12.8	144.2	155.1	-61.9	-79.4	0	0	0	120.4
775	E	30.3	Very low	30.8	Very low	201 Å²	201	135.1 Å²	135.1	94%	0.939	78%	0.775	S	S	*	*				-147.1	164.5	124	-136.3	174.5	-139.6	0	0	112.9
776	G	26.1	Very low	30.9	Very low	71 Å²	71	134.2 Å²	134.2	73%	0.732	77%	0.77	S	S	*	*			trans	106.2	119.4	176	0	0	0	0	0	114.4
777	S	28.7	Very low	30.1	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	77%	0.77	S	S	*	*			cis	-167.1	140.9	-11.7	48.2	0	0	0	0	110.1
778	T	29.6	Very low	30.2	Very low	132 Å²	132	132.2 Å²	132.2	81%	0.81	76%	0.763	S	S	*	*			trans	34.8	132.9	149.2	57.2	0	0	0	0	120.5
779	S	32.5	Very low	30.2	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	77%	0.765	S	S	*	*			cis	-175.8	175.9	-1.4	51.3	0	0	0	0	107.4
780	S	34.6	Very low	30.5	Very low	95 Å²	95	132.9 Å²	132.9	66%	0.664	77%	0.766	S	S	*	*			cis	-132.4	-128.5	4.8	25.2	0	0	0	0	108.6
781	D	33.7	Very low	31.8	Very low	134 Å²	134	133.5 Å²	133.5	72%	0.717	77%	0.768	S	S	*	*			cis	-159.6	-174	-3.8	-134.6	-44.2	0	0	0	111.7
782	T	33.9	Very low	32.1	Very low	120 Å²	120	134.3 Å²	134.3	74%	0.736	76%	0.763	S	S	*	*			trans	-90	166.4	-169.2	64	0	0	0	0	115
783	E	32.2	Very low	32.4	Very low	179 Å²	179	134.9 Å²	134.9	84%	0.836	75%	0.752	S	S	*	*			cis	-131.3	140.6	4.9	-62.4	173	136.6	0	0	108.2
784	E	35.2	Very low	32.3	Very low	183 Å²	183	132.2 Å²	132.2	86%	0.855	75%	0.747	S	S	*	*				56.6	134.5	78.1	-114	-178.3	-101.5	0	0	115
785	V	35.2	Very low	31.9	Very low	117 Å²	117	129.6 Å²	129.6	71%	0.709	74%	0.743	S	S	*	*			cis	-141.8	-166.7	12.1	-144.3	0	0	0	0	108.1
786	D	28.4	Very low	31.6	Very low	134 Å²	134	129 Å²	129	72%	0.717	74%	0.738	S	S	*	*			cis	-159.9	133.6	0.7	-155	39.6	0	0	0	107.2
787	A	34.9	Very low	31.6	Very low	76 Å²	76	133 Å²	133	63%	0.628	74%	0.74	S	S	*	*				69.6	157.1	90.6	0	0	0	0	0	118.1
788	T	29	Very low	31.4	Very low	104 Å²	104	133.1 Å²	133.1	64%	0.638	74%	0.737	S	S	*	*			cis	-156.3	148.3	11.9	-23.7	0	0	0	0	114.9
789	Q	28.9	Very low	31.4	Very low	184 Å²	184	135.9 Å²	135.9	86%	0.86	74%	0.738	S	S	*	*			trans	64.8	152.9	139.1	-89	161	18.8	0	0	126.2
790	A	30.2	Very low	31.6	Very low	84 Å²	84	136.4 Å²	136.4	69%	0.694	74%	0.739	S	S	*	*			trans	-114.9	-168.8	161	0	0	0	0	0	108.2
791	P	51.3	Low	31.6	Very low	115 Å²	115	138 Å²	138	75%	0.747	75%	0.745	S	S	*	*			cis	-158.7	-166	36.5	45.5	-21	0	0	0	119.2
792	E	31.4	Very low	31.8	Very low	154 Å²	154	138.1 Å²	138.1	72%	0.72	75%	0.753	S	S	*	*			trans	79	119.9	144.9	-71.9	-144.4	129.5	0	0	127
793	Q	29.8	Very low	31.4	Very low	133 Å²	133	135.9 Å²	135.9	62%	0.621	75%	0.754	S	S	*	*				85.4	143.1	127.3	-74.1	-166.9	34.3	0	0	126.4
794	K	27.4	Very low	31.3	Very low	171 Å²	171	137 Å²	137	74%	0.743	76%	0.756	S	S	*	*			trans	91.2	95.7	147.5	-81.7	166.6	-177.8	160.7	0	124.5
795	T	25.8	Very low	30.9	Very low	120 Å²	120	137.7 Å²	137.7	74%	0.736	76%	0.759	S	S	*	*				34.2	120.2	124.5	48.8	0	0	0	0	124.1
796	F	25.3	Very low	30.6	Very low	189 Å²	189	140 Å²	140	83%	0.829	76%	0.762	S	S	*	*				60.6	123.5	126.2	-108.8	-92.2	0	0	0	122.3
797	I	25.1	Very low	30.5	Very low	153 Å²	153	139.9 Å²	139.9	79%	0.785	76%	0.761	S	S	*	*				176.9	124.9	115.9	-91.4	163.2	0	0	0	114.3
798	V	24.6	Very low	29.9	Very low	109 Å²	109	144.8 Å²	144.8	66%	0.661	77%	0.769	S	S	*	*			trans	16.8	138.5	142.6	-168.2	0	0	0	0	123.5
799	F	29.7	Very low	29.7	Very low	189 Å²	189	144.2 Å²	144.2	83%	0.829	77%	0.769	S	S	*	*			trans	0.7	150.7	155.7	-58.8	-62.1	0	0	0	122.3
800	P	35.9	Very low	29.4	Very low	122 Å²	122	141.8 Å²	141.8	79%	0.792	77%	0.767	S	S	*	*				-141.5	162.2	91.7	39.5	-26.8	0	0	0	116.8
801	T	36	Very low	29.2	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	77%	0.769	S	S	*	*			trans	-106.6	149.4	158.8	50.6	0	0	0	0	110.1
802	P	37.9	Very low	28	Very low	135 Å²	135	145.2 Å²	145.2	88%	0.877	77%	0.774	S	S	*	*				-140.5	-167.7	105.2	39.5	-24.4	0	0	0	110.3
803	G	25.6	Very low	27.8	Very low	74 Å²	74	146.3 Å²	146.3	76%	0.763	78%	0.779	S	S	*	*			cis	-178.3	-175.7	6.4	0	0	0	0	0	109.8
804	K	29	Very low	27.7	Very low	202 Å²	202	148.7 Å²	148.7	88%	0.878	79%	0.79	S	S	*	*			trans	-88.9	155.9	177.3	-55.1	175.5	-178.7	179.1	0	111.6
805	E	27.3	Very low	27.8	Very low	197 Å²	197	147.4 Å²	147.4	92%	0.921	79%	0.787	S	S	*	*				-177.3	-174.3	118.5	-103.3	173.1	-163.9	0	0	113.6
806	E	28.7	Very low	28	Very low	165 Å²	165	145.7 Å²	145.7	77%	0.771	79%	0.785	S	S	*	*			trans	-100.1	179.8	-166	-57.7	-176.8	147.8	0	0	115
807	N	26.6	Very low	28.1	Very low	132 Å²	132	144.1 Å²	144.1	71%	0.706	78%	0.778	S	S	*	*			trans	81.8	102.5	149.3	-68.5	-55.7	0	0	0	121.4
808	K	23.2	Very low	28.1	Very low	180 Å²	180	146.8 Å²	146.8	78%	0.783	78%	0.784	S	S	*	*				75.8	113.3	111.6	-155.8	-163.9	175.3	-177.7	0	120.9
809	S	23.6	Very low	28.1	Very low	92 Å²	92	145.7 Å²	145.7	64%	0.643	78%	0.781	S	S	*	*			trans	77.4	159.8	141.1	64.5	0	0	0	0	122.9
810	T	22.9	Very low	28.1	Very low	133 Å²	133	141.2 Å²	141.2	82%	0.816	77%	0.773	S	S	*	*			trans	77.2	92	160.7	30.6	0	0	0	0	120.1
811	S	27.1	Very low	27.7	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	77%	0.772	S	S	*	*			trans	-46.4	142.7	147.3	49	0	0	0	0	116.8
812	I	25.5	Very low	27.4	Very low	164 Å²	164	139 Å²	139	84%	0.841	77%	0.766	S	S	*	*			trans	-148.6	124.8	146.6	-65.5	-172.3	0	0	0	103.6
813	E	27.3	Very low	26.8	Very low	178 Å²	178	139.2 Å²	139.2	83%	0.832	76%	0.764	S	S	*	*			cis	78.9	103.9	42.3	-73.4	-158.3	143.1	0	0	116.8
814	E	27.6	Very low	28	Very low	183 Å²	183	141 Å²	141	86%	0.855	76%	0.762	S	S	*	*			trans	-168.9	110.8	139.2	-104.7	178.3	174	0	0	106.4
815	E	29.3	Very low	28.1	Very low	143 Å²	143	137.5 Å²	137.5	67%	0.668	75%	0.747	S	S	*	*				90.2	137.4	77.6	-84.3	-140.8	151.9	0	0	114.6	K817	E815-K817 VanDerWaalsContact OE1-CE 3.27Å; E815-K817 WeakPolarHBondContact OE1-CE 3.29Å; E815-K817 IonicContact OE1-NZ 3.58Å; E815-K817 PolarHBondContact OE1-NZ 3.03Å; E815-K817 IonicContact OE2-NZ 3.35Å; E815-K817 PolarHBondContact OE2-NZ 2.75Å
816	A	30.8	Very low	28	Very low	84 Å²	84	135.3 Å²	135.3	69%	0.694	74%	0.737	S	S	*	*			cis	-159.3	-118	-26.3	0	0	0	0	0	108.8
817	K	25.8	Very low	28	Very low	157 Å²	157	133.8 Å²	133.8	68%	0.683	73%	0.73	S	S	*	*			cis	-166.8	59.1	-5.8	-146	159.5	-155.9	166.9	0	114.5	E815	E815-K817 VanDerWaalsContact OE1-CE 3.27Å; E815-K817 WeakPolarHBondContact OE1-CE 3.29Å; E815-K817 IonicContact OE1-NZ 3.58Å; E815-K817 PolarHBondContact OE1-NZ 3.03Å; E815-K817 IonicContact OE2-NZ 3.35Å; E815-K817 PolarHBondContact OE2-NZ 2.75Å
818	F	24.6	Very low	28.2	Very low	208 Å²	208	132 Å²	132	91%	0.912	73%	0.734	S	S	*	*			trans	-133.1	133.7	173.7	-144.4	-93.7	0	0	0	117.6
819	S	24.7	Very low	28.3	Very low	86 Å²	86	131.1 Å²	131.1	60%	0.601	74%	0.738	S	S	*	*			trans	-43	145.4	178	-82	0	0	0	0	117.9
820	S	29.8	Very low	28.5	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	74%	0.736	S	S	*	*			cis	90.1	153	44.2	87.8	0	0	0	0	113.6
821	T	27.4	Very low	28.7	Very low	124 Å²	124	129.2 Å²	129.2	76%	0.761	73%	0.734	S	S	*	*			cis	-164.4	157.6	26.8	-25.3	0	0	0	0	113.8
822	A	30.1	Very low	28.8	Very low	82 Å²	82	132.6 Å²	132.6	68%	0.678	74%	0.738	S	S	*	*			trans	72.1	137.2	150.6	0	0	0	0	0	120.5
823	V	26.9	Very low	28.8	Very low	139 Å²	139	129.3 Å²	129.3	84%	0.842	73%	0.73	S	S	*	*			cis	77.8	136.3	18.2	-168.9	0	0	0	0	112.1
824	P	50.2	Low	28.6	Very low	110 Å²	110	127.5 Å²	127.5	71%	0.714	73%	0.731	S	S	*	*			cis	-140	-167.4	42.8	32.6	-6.1	0	0	0	115
825	K	30.5	Very low	28.8	Very low	130 Å²	130	127 Å²	127	57%	0.565	73%	0.728	S	S	*	*			cis	-154.6	173.8	-4.3	-124.4	151.9	179.2	-62.7	0	107.5	E827	K825-E827 WeakPolarHBondContact CG-OE1 2.97Å; K825-E827 IonicContact NZ-OE1 2.81Å; K825-E827 PolarHBondContact NZ-OE1 2.98Å; K825-E827 IonicContact NZ-OE2 3.77Å; K825-E827 PolarHBondContact NZ-OE2 2.85Å
826	E	26.4	Very low	28.6	Very low	151 Å²	151	128.8 Å²	128.8	71%	0.706	73%	0.734	S	S	*	*			cis	-142.8	-154.3	20.8	-154.6	102.4	-141.1	0	0	112.7
827	E	27.9	Very low	28.4	Very low	132 Å²	132	132 Å²	132	62%	0.617	74%	0.738	S	S	*	*			trans	-136.9	165.5	-151.8	-71	115.1	-124	0	0	116.2	K825	K825-E827 WeakPolarHBondContact CG-OE1 2.97Å; K825-E827 IonicContact NZ-OE1 2.81Å; K825-E827 PolarHBondContact NZ-OE1 2.98Å; K825-E827 IonicContact NZ-OE2 3.77Å; K825-E827 PolarHBondContact NZ-OE2 2.85Å
828	A	29.9	Very low	28.4	Very low	96 Å²	96	128.9 Å²	128.9	79%	0.793	74%	0.742	S	S	*	*			trans	86.8	147.8	159.7	0	0	0	0	0	118.8
829	N	26	Very low	30	Very low	161 Å²	161	124.5 Å²	124.5	86%	0.861	73%	0.734	S	S	*	*			cis	-159.9	168.7	-1.9	-144.5	-13.5	0	0	0	115.3
830	A	27.5	Very low	30.1	Very low	74 Å²	74	125.3 Å²	125.3	61%	0.612	74%	0.736	S	S	*	*			trans	67.8	104.4	147.2	0	0	0	0	0	124.3
831	S	27.5	Very low	29.9	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	74%	0.742	S	S	*	*				46.4	126.8	114	-50.2	0	0	0	0	125.6
832	Q	28.2	Very low	29.9	Very low	177 Å²	177	128 Å²	128	83%	0.827	73%	0.732	S	S	*	*				67.2	109	129.5	-76.1	-176.7	-26.9	0	0	124.3
833	S	25.5	Very low	29.7	Very low	95 Å²	95	131.2 Å²	131.2	66%	0.664	74%	0.738	S	S	*	*				69	145.3	122.5	69.1	0	0	0	0	125
834	T	25.1	Very low	29.8	Very low	140 Å²	140	131.2 Å²	131.2	86%	0.859	73%	0.728	S	S	*	*			trans	77.2	155.6	153.5	45.2	0	0	0	0	121.2
835	E	31.7	Very low	28.7	Very low	171 Å²	171	132.5 Å²	132.5	80%	0.799	73%	0.734	S	S	*	*			trans	-88.7	145.5	-170.3	-46.7	161.3	105	0	0	113.5
836	K	24.5	Very low	28.8	Very low	181 Å²	181	133.9 Å²	133.9	79%	0.787	74%	0.742	S	S	*	*				167.8	113.9	115.4	-92.2	170.2	-179.3	174.8	0	116.4
837	I	26	Very low	28.9	Very low	153 Å²	153	133.3 Å²	133.3	79%	0.785	75%	0.749	S	S	*	*				57.4	112.5	123.1	-59.3	176.2	0	0	0	121.3
838	A	26.7	Very low	29	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	76%	0.762	S	S	*	*			trans	66.7	170.1	140.9	0	0	0	0	0	120.4
839	P	56.9	Low	28.8	Very low	115 Å²	115	138.7 Å²	138.7	75%	0.747	76%	0.764	S	S	*	*			cis	-114.9	-173	-8.1	33.7	-13.4	0	0	0	112.2
840	T	27.1	Very low	28.7	Very low	104 Å²	104	137 Å²	137	64%	0.638	76%	0.76	S	S	*	*			cis	-165.4	140.1	31.9	-39.2	0	0	0	0	112.7
841	F	25.9	Very low	29.3	Very low	183 Å²	183	139.3 Å²	139.3	80%	0.803	77%	0.768	S	S	*	*			trans	155.5	113.2	130.6	-103.2	-101.2	0	0	0	107.8
842	V	27.8	Very low	29.1	Very low	91 Å²	91	140 Å²	140	55%	0.552	77%	0.768	S	S	*	*				67.6	122.2	66.5	177.9	0	0	0	0	110.3
843	L	25.7	Very low	29	Very low	151 Å²	151	137.7 Å²	137.7	79%	0.791	77%	0.766	S	S	*	*			cis	-145.9	164.6	32.6	-137.9	161.2	0	0	0	112.8
844	E	28.6	Very low	29	Very low	138 Å²	138	139.9 Å²	139.9	65%	0.645	77%	0.769	S	S	*	*			trans	-113.5	-172.5	-167.1	-50.1	72	26.7	0	0	112.4
845	V	28	Very low	29	Very low	137 Å²	137	140.6 Å²	140.6	83%	0.83	77%	0.766	S	S	*	*			cis	-155.5	-147.3	15.4	72.3	0	0	0	0	112.4
846	E	31.6	Very low	28.7	Very low	160 Å²	160	138.1 Å²	138.1	75%	0.748	76%	0.763	S	S	*	*			trans	-108.9	170.5	-165.7	-52.1	171.7	123.1	0	0	114.5
847	T	28.7	Very low	28.7	Very low	139 Å²	139	138 Å²	138	85%	0.853	77%	0.765	S	S	*	*				-175.4	-175	74.8	36.5	0	0	0	0	113.8
848	K	30.7	Very low	28.7	Very low	202 Å²	202	139.6 Å²	139.6	88%	0.878	77%	0.769	S	S	*	*			trans	-90.1	169.8	-163.6	-64.1	176.3	175.7	175.8	0	117.6
849	V	25.6	Very low	28.7	Very low	138 Å²	138	138.9 Å²	138.9	84%	0.836	76%	0.763	S	S	*	*			trans	123.9	150.1	143.4	-177.1	0	0	0	0	116.3
850	T	24.1	Very low	27.1	Very low	126 Å²	126	141.4 Å²	141.4	77%	0.773	76%	0.762	S	S	*	*			trans	-80.1	-179	-178.3	51.3	0	0	0	0	113.8
851	P	39.2	Very low	27	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	77%	0.767	S	S	*	*			cis	-133.7	-152.3	0.6	42.3	-21.3	0	0	0	115.4
852	T	24.2	Very low	27	Very low	125 Å²	125	143.3 Å²	143.3	77%	0.767	77%	0.767	S	S	*	*			trans	-69	154.9	-170.9	-30.7	0	0	0	0	118.7
853	V	25.4	Very low	27	Very low	129 Å²	129	144.1 Å²	144.1	78%	0.782	78%	0.776	S	S	*	*				175	122.3	124.8	152.4	0	0	0	0	115.8
854	I	24.9	Very low	27	Very low	142 Å²	142	142.8 Å²	142.8	73%	0.728	78%	0.775	S	S	*	*			trans	11.3	140.2	148	-35.6	-180	0	0	0	123.4
855	L	25.7	Very low	26.8	Very low	154 Å²	154	142.7 Å²	142.7	81%	0.806	78%	0.783	S	S	*	*			trans	143.8	157.9	135.3	-74.9	171.2	0	0	0	112.9
856	V	25.6	Very low	26.5	Very low	119 Å²	119	142.1 Å²	142.1	72%	0.721	78%	0.78	S	S	*	*			cis	-170.7	-174	-32.1	73.9	0	0	0	0	110.4
857	E	23.6	Very low	27.7	Very low	180 Å²	180	139.8 Å²	139.8	84%	0.841	78%	0.779	S	S	*	*			trans	77.1	150.8	176.3	-53	-170.4	164.5	0	0	119.2
858	E	26.8	Very low	27.6	Very low	186 Å²	186	140 Å²	140	87%	0.869	78%	0.775	S	S	*	*			cis	-164.1	156.5	-45.5	-146	-172.2	-153.2	0	0	113.2
859	A	26.8	Very low	27.5	Very low	76 Å²	76	137 Å²	137	63%	0.628	77%	0.767	S	S	*	*			trans	81.9	141.5	145.3	0	0	0	0	0	126.2
860	K	22.7	Very low	27.4	Very low	168 Å²	168	135.3 Å²	135.3	73%	0.73	76%	0.757	S	S	*	*			trans	75.5	148.1	149.4	-79	166.9	171.5	-77.2	0	120.6
861	E	25.7	Very low	27.4	Very low	156 Å²	156	137.3 Å²	137.3	73%	0.729	76%	0.755	S	S	*	*			cis	-150.6	-151.6	-1.2	-153.5	129.2	-127.4	0	0	113.4
862	E	26.3	Very low	26.7	Very low	171 Å²	171	139.2 Å²	139.2	80%	0.799	75%	0.753	S	S	*	*			trans	-128.4	175.9	-144.2	-169.7	178.7	-171.6	0	0	117.6
863	S	26.4	Very low	26.9	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	75%	0.747	S	S	*	*			trans	113.8	168.2	153.9	75	0	0	0	0	119.7
864	T	25.4	Very low	27	Very low	123 Å²	123	141.7 Å²	141.7	76%	0.755	75%	0.745	S	S	*	*				-165.7	-177.5	-91.5	33.1	0	0	0	0	111.6
865	V	25.1	Very low	27.1	Very low	135 Å²	135	139.4 Å²	139.4	82%	0.818	75%	0.748	S	S	*	*			trans	110.5	145.1	161.1	-176.7	0	0	0	0	118.9
866	T	21.8	Very low	27.1	Very low	126 Å²	126	140.2 Å²	140.2	77%	0.773	75%	0.745	S	S	*	*			trans	-151.2	-172	-174.7	54	0	0	0	0	109.6
867	P	57.6	Low	27	Very low	111 Å²	111	142.5 Å²	142.5	72%	0.721	75%	0.745	S	S	*	*			cis	-133.1	-164.4	-44.3	30.4	-8.4	0	0	0	114.1
868	N	26.7	Very low	27.1	Very low	144 Å²	144	139.1 Å²	139.1	77%	0.77	73%	0.733	S	S	*	*				117.3	152.3	124.8	-132.9	11.8	0	0	0	122.9
869	I	28	Very low	27.1	Very low	138 Å²	138	134.5 Å²	134.5	71%	0.708	72%	0.721	S	S	*	*			trans	101.9	88.4	152.4	-63.6	162.8	0	0	0	122.9
870	T	22.7	Very low	27.2	Very low	102 Å²	102	135.9 Å²	135.9	63%	0.626	72%	0.722	S	S	*	*				38	142	125.4	62.8	0	0	0	0	127.9
871	F	25.1	Very low	27.3	Very low	169 Å²	169	134.8 Å²	134.8	74%	0.741	72%	0.723	S	S	*	*				146.6	137.4	109.7	-99.2	-62.8	0	0	0	119.4
872	E	24.1	Very low	27.3	Very low	161 Å²	161	133.1 Å²	133.1	75%	0.752	72%	0.723	S	S	*	*			trans	54.3	156.3	143.9	-87.8	160.1	-157.4	0	0	124
873	E	28.5	Very low	27.3	Very low	135 Å²	135	129.7 Å²	129.7	63%	0.631	71%	0.71	S	S	*	*			cis	-162.3	148.6	-16.3	-145.5	-163.4	-174.2	0	0	114.7
874	K	26.3	Very low	27.3	Very low	171 Å²	171	130.4 Å²	130.4	74%	0.743	70%	0.701	S	S	*	*			trans	50	149	143.8	-90	178.1	-161.7	146.3	0	128.3
875	A	27.8	Very low	27.5	Very low	95 Å²	95	133 Å²	133	79%	0.785	71%	0.705	S	S	*	*			trans	84.8	154	137.6	0	0	0	0	0	122.3
876	K	25.5	Very low	27.6	Very low	170 Å²	170	135.5 Å²	135.5	74%	0.739	71%	0.708	S	S	*	*			cis	-176.9	152.2	-28	-165.6	-158	-177.3	-158.7	0	110.6
877	F	24.1	Very low	27.9	Very low	167 Å²	167	132.8 Å²	132.8	73%	0.732	70%	0.698	S	S	*	*			trans	75.5	155.6	150.1	-121.8	-125.5	0	0	0	119.1
878	D	24.8	Very low	26.2	Very low	110 Å²	110	132.9 Å²	132.9	59%	0.588	70%	0.701	S	S	*	*			cis	-172.7	158.3	-35.1	-176.7	43.2	0	0	0	112.7
879	S	28	Very low	26	Very low	88 Å²	88	134.9 Å²	134.9	62%	0.615	70%	0.703	S	S	*	*			trans	62.1	169.1	152.8	-83.2	0	0	0	0	123.9
880	T	27.9	Very low	25.9	Very low	106 Å²	106	133.9 Å²	133.9	65%	0.65	70%	0.704	S	S	*	*			cis	178	177.7	-34.9	-73.6	0	0	0	0	107.5
881	L	25.3	Very low	26.1	Very low	144 Å²	144	134.7 Å²	134.7	75%	0.754	71%	0.711	S	S	*	*			trans	88.9	123.9	168.4	-54.8	174.5	0	0	0	115.6
882	V	25.7	Very low	26	Very low	121 Å²	121	132.4 Å²	132.4	73%	0.733	72%	0.716	S	S	*	*			cis	67.3	138.5	7.5	-136.2	0	0	0	0	113.3
883	L	26.5	Very low	26.1	Very low	99 Å²	99	130.5 Å²	130.5	52%	0.518	72%	0.715	S	S	.	*			cis	-154.9	174.1	36.9	-62.1	142.1	0	0	0	107.9	F469	F469-L883 HydrophobicContact CE1-CB 3.93Å; F469-L883 HydrophobicContact CE1-CD1 3.95Å; F469-L883 HydrophobicContact CZ-CB 3.68Å; F469-L883 HydrophobicContact CZ-CD1 3.79Å; F469-L883 HydrophobicContact CZ-CG 4.29Å
884	E	26.1	Very low	25.9	Very low	123 Å²	123	131.6 Å²	131.6	58%	0.575	73%	0.725	S	S	*	*			cis	-164.6	148.6	-7.9	-111.5	158	173	0	0	108.7	F469	F469-E884 HydrophobicContact CE2-CB 4.4Å; F469-E884 WeakPolarHBondContact CE2-OE2 3.41Å; F469-E884 VanDerWaalsContact CZ-OE2 3.31Å; F469-E884 WeakPolarHBondContact CZ-OE2 3.49Å
885	E	29.4	Very low	26	Very low	177 Å²	177	130.9 Å²	130.9	83%	0.827	73%	0.729	S	S	*	*				73.3	121.2	115.3	-156.2	157.9	-121.5	0	0	118.4
886	E	27.7	Very low	26	Very low	189 Å²	189	132.6 Å²	132.6	88%	0.883	73%	0.73	S	S	*	*				-161.6	176	85.5	-93	-154.2	90.1	0	0	111.7
887	A	27.4	Very low	26.1	Very low	69 Å²	69	133 Å²	133	57%	0.57	73%	0.734	S	S	*	*			cis	-179.7	178.9	-30.9	0	0	0	0	0	112
888	S	23.4	Very low	26.3	Very low	112 Å²	112	130.7 Å²	130.7	78%	0.783	74%	0.736	S	S	*	*			trans	83.1	100	161	76.6	0	0	0	0	122.9
889	F	21.5	Very low	26.5	Very low	186 Å²	186	131.5 Å²	131.5	82%	0.816	75%	0.747	S	S	*	*			trans	80.9	86.5	132.3	-88.6	-98.6	0	0	0	125.1
890	T	25.1	Very low	26.6	Very low	118 Å²	118	133.5 Å²	133.5	72%	0.724	76%	0.756	S	S	*	*			trans	75.2	167.1	131.9	71.6	0	0	0	0	118.4
891	P	27.4	Very low	26.7	Very low	119 Å²	119	135.5 Å²	135.5	77%	0.773	76%	0.762	S	S	*	*				-133.4	160.3	-87.6	34.9	-15	0	0	0	115.1
892	S	24.2	Very low	26.7	Very low	121 Å²	121	136.6 Å²	136.6	85%	0.846	76%	0.763	S	S	*	*			trans	-143	135.6	155.9	57.8	0	0	0	0	110.3
893	V	25.5	Very low	27.1	Very low	120 Å²	120	137.4 Å²	137.4	73%	0.727	76%	0.763	S	S	*	*			trans	-111.9	116.5	-179	174.7	0	0	0	0	108.2	L895	V893-L895 HydrophobicContact CG1-CD1 3.79Å
894	N	23.2	Very low	27.2	Very low	158 Å²	158	140.1 Å²	140.1	85%	0.845	78%	0.777	S	S	*	*			trans	-95.4	127.2	163.6	-88.7	-19.7	0	0	0	108.9
895	L	28.9	Very low	27.4	Very low	156 Å²	156	139.6 Å²	139.6	82%	0.817	78%	0.784	S	S	*	*			trans	-90.8	114.3	178.9	-123.5	72.8	0	0	0	110.6	V893	V893-L895 HydrophobicContact CG1-CD1 3.79Å
896	T	27.5	Very low	27.9	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	79%	0.791	S	S	*	*			trans	-146.2	86.4	164	36.4	0	0	0	0	110.3
897	Q	28.9	Very low	28.1	Very low	179 Å²	179	141.6 Å²	141.6	84%	0.836	79%	0.79	S	S	*	*			trans	-176.8	145.2	150.1	-106.1	165.1	11.6	0	0	110
898	P	28.8	Very low	28.5	Very low	119 Å²	119	149 Å²	149	77%	0.773	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-78.2	131.1	165	32.2	-31.1	0	0	0	109.7
899	P	28.6	Very low	28.8	Very low	126 Å²	126	148.5 Å²	148.5	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.1	132.5	179.1	30.7	-33.2	0	0	0	111.8
900	T	29.1	Very low	29.7	Very low	130 Å²	130	144.4 Å²	144.4	80%	0.798	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-66.8	153.6	170.3	-44.5	0	0	0	0	111.3	H902	T900-H902 PolarHBondContact O-N 3.04Å
901	L	29.8	Very low	30.3	Very low	149 Å²	149	145.5 Å²	145.5	78%	0.78	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-52.1	122.3	175.2	-171.3	91.1	0	0	0	111.7
902	H	25.9	Very low	31.1	Very low	167 Å²	167	143.8 Å²	143.8	77%	0.773	82%	0.817	S	S	*	*			trans	-114.1	109.8	169.6	-122.8	-70.4	0	0	0	109.9	T900 L904	T900-H902 PolarHBondContact O-N 3.04Å; H902-L904 PolarHBondContact O-N 2.7Å
903	N	34.6	Very low	31.7	Very low	138 Å²	138	141.4 Å²	141.4	74%	0.738	81%	0.811	S	S	*	*			trans	-61.8	128.7	163	-73.7	-43.6	0	0	0	108.7
904	L	27.9	Very low	32.7	Very low	156 Å²	156	143.4 Å²	143.4	82%	0.817	82%	0.824	S	S	*	*			trans	-112.8	133.4	174.4	-93.6	170.8	0	0	0	110.9	H902	H902-L904 PolarHBondContact O-N 2.7Å
905	P	31.5	Very low	33.6	Very low	111 Å²	111	138.2 Å²	138.2	72%	0.721	81%	0.807	S	S	*	*			trans	-68.2	156.6	179.9	-21.1	33.6	0	0	0	114.2	E907	P905-E907 VanDerWaalsContact C-N 3.34Å; P905-E907 PolarHBondContact O-N 3.46Å
906	K	37.9	Very low	34.6	Very low	222 Å²	222	136.2 Å²	136.2	97%	0.965	81%	0.814	S	S	*	*	S	Bend	trans	-80.2	72.7	173.1	-172	-178.2	-175.6	173.5	0	111
907	E	32.8	Very low	35.6	Very low	186 Å²	186	138.7 Å²	138.7	87%	0.869	81%	0.813	S	S	*	*			trans	-138.8	153.3	173.2	-161.3	156.8	-138.3	0	0	113.9	P905	P905-E907 VanDerWaalsContact C-N 3.34Å; P905-E907 PolarHBondContact O-N 3.46Å
908	R	35.4	Very low	36.9	Very low	226 Å²	226	135.1 Å²	135.1	85%	0.853	81%	0.808	S	S	*	*			trans	-111.8	111.5	-163.6	-170.3	-177.7	-162.2	163.3	5.7	109.8	A910	R908-A910 PolarHBondContact O-N 2.97Å
909	A	30	Very low	38.7	Very low	100 Å²	100	133.4 Å²	133.4	83%	0.826	79%	0.793	S	S	*	*			trans	-64.5	100.8	178.7	0	0	0	0	0	111.5	V911	A909-V911 PolarHBondContact O-N 2.72Å
910	A	40.8	Very low	40.7	Very low	101 Å²	101	128.9 Å²	128.9	84%	0.835	77%	0.766	S	S	*	*			trans	-90	97.2	178.2	0	0	0	0	0	110.9	R908	R908-A910 PolarHBondContact O-N 2.97Å
911	V	38.5	Very low	43.1	Very low	140 Å²	140	124 Å²	124	85%	0.848	74%	0.737	S	S	*	*			trans	-100.2	124.2	165.4	179.2	0	0	0	0	108.4	A909 G913	A909-V911 PolarHBondContact O-N 2.72Å; V911-G913 PolarHBondContact O-N 2.79Å
912	G	43.9	Very low	45.5	Very low	84 Å²	84	122.9 Å²	122.9	87%	0.866	73%	0.731	S	S	*	*			trans	-72.5	119.7	-174.1	0	0	0	0	0	113.3
913	G	35.2	Very low	48	Very low	70 Å²	70	122.6 Å²	122.6	72%	0.722	74%	0.735	S	S	*	*			trans	-140.5	117.9	167.9	0	0	0	0	0	110.2	V911 G915	V911-G913 PolarHBondContact O-N 2.79Å; G913-G915 PolarHBondContact O-N 2.98Å
914	T	47.2	Very low	50.1	Low	163 Å²	163	120.6 Å²	120.6	100%	1	72%	0.724	S	S	*	*			trans	-79.8	89.6	-176.9	51	0	0	0	0	111.5
915	G	41.5	Very low	52.8	Low	48 Å²	48	114.9 Å²	114.9	50%	0.495	70%	0.697	S	S	.	*			trans	-153.8	115.1	170.5	0	0	0	0	0	110.4	G913 F917	G913-G915 PolarHBondContact O-N 2.98Å; G915-F917 PolarHBondContact O-N 2.89Å
916	A	50.7	Low	55.6	Low	115 Å²	115	110 Å²	110	95%	0.95	67%	0.665	S	S	*	*			trans	-79.3	72.5	-179.6	0	0	0	0	0	111.1
917	F	48	Very low	57.8	Low	182 Å²	182	103.9 Å²	103.9	80%	0.798	64%	0.643	S	S	*	*			trans	-80.2	118.1	163.5	-66.4	-83.4	0	0	0	108.5	G915 D919	G915-F917 PolarHBondContact O-N 2.89Å; F917-D919 PolarHBondContact O-N 3.02Å
918	S	56.9	Low	60.2	Low	104 Å²	104	98 Å²	98	73%	0.727	62%	0.617	S	S	*	*			trans	-73.2	99.6	162.8	52.4	0	0	0	0	107.7	A920	S918-A920 PolarHBondContact O-N 3.02Å
919	D	67.4	Low	62.3	Low	83 Å²	83	88.6 Å²	88.6	44%	0.444	59%	0.591	S	S	.	*			trans	-51.3	111.5	171.6	173.5	-19.3	0	0	0	108.7	F917 C921 L922	F917-D919 PolarHBondContact O-N 3.02Å; D919-C921 PolarHBondContact O-N 3.01Å; D919-C921 PolarHBondContact OD1-N 2.87Å; D919-L922 HydrophobicContact CB-CD1 3.86Å; D919-L922 HydrophobicContact CB-CG 3.89Å; D919-L922 WeakPolarHBondContact O-CB 3.38Å; D919-L922 PolarHBondContact O-N 2.81Å
920	A	69.9	Low	64.9	Low	32 Å²	32	84 Å²	84	26%	0.264	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	-1.2	-168	0	0	0	0	0	112.8	S918 E934 I939	S918-A920 PolarHBondContact O-N 3.02Å; A920-E934 HydrophobicContact CB-CG 4.34Å; A920-E934 WeakPolarHBondContact CB-OE2 3.41Å; A920-E934 PolarHBondContact N-OE2 2.94Å; A920-I939 HydrophobicContact CB-CD1 3.96Å; A920-I939 HydrophobicContact CB-CG1 3.51Å; A920-I939 WeakPolarHBondContact O-CD1 3.39Å; A920-I939 WeakPolarHBondContact O-CG1 3.43Å
921	C	79.7	Confident	66.9	Low	28 Å²	28	83.4 Å²	83.4	19%	0.189	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-2.5	174.2	-71.4	0	0	0	0	113.7	D919 D923 D924 C932	D919-C921 PolarHBondContact O-N 3.01Å; D919-C921 PolarHBondContact OD1-N 2.87Å; C921-D923 VanDerWaalsContact C-N 3.26Å; C921-D923 PolarHBondContact O-N 2.89Å; C921-D924 PolarHBondContact O-N 3.45Å; C921-D924 VanDerWaalsContact O-N 3.09Å; C921-C932 WeakPolarHBondContact CA-SG 3.48Å; C921-C932 HydrophobicContact CB-CB 3.66Å; C921-C932 WeakPolarHBondContact CB-SG 2.96Å; C921-C932 WeakPolarHBondContact SG-CB 3.01Å; C921-C932 CovalentContact SG-SG 2.04Å; C921-C932 PolarHBondContact SG-SG 3.13Å
922	L	80.3	Confident	69.2	Low	125 Å²	125	77.8 Å²	77.8	65%	0.654	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.9	179.3	-86.3	168	0	0	0	114.6	D919 D924	D919-L922 HydrophobicContact CB-CD1 3.86Å; D919-L922 HydrophobicContact CB-CG 3.89Å; D919-L922 WeakPolarHBondContact O-CB 3.38Å; D919-L922 PolarHBondContact O-N 2.81Å; L922-D924 VanDerWaalsContact C-N 3.33Å
923	D	78.4	Confident	71.2	Confident	161 Å²	161	76.2 Å²	76.2	86%	0.861	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	10.4	-178.8	-64.9	-42.1	0	0	0	113.3	C921	C921-D923 VanDerWaalsContact C-N 3.26Å; C921-D923 PolarHBondContact O-N 2.89Å
924	D	77.4	Confident	73.3	Confident	95 Å²	95	76.4 Å²	76.4	51%	0.508	46%	0.462	S	S	.	.			trans	31.2	73.3	-167.6	-164.4	12	0	0	0	115.1	C921 L922 C926	C921-D924 PolarHBondContact O-N 3.45Å; C921-D924 VanDerWaalsContact O-N 3.09Å; L922-D924 VanDerWaalsContact C-N 3.33Å; D924-C926 PolarHBondContact O-N 3.33Å
925	P	86.2	Confident	74.3	Confident	37 Å²	37	77.7 Å²	77.7	24%	0.24	45%	0.448	C	S	.	.			trans	-71.5	9.5	-176	31.1	-37.8	0	0	0	114.5	I939 F951	P925-I939 HydrophobicContact CG-CD1 4.1Å; P925-I939 HydrophobicContact CG-CG2 3.77Å; P925-F951 HydrophobicContact CB-CD1 4.34Å; P925-F951 HydrophobicContact CB-CE1 4.1Å; P925-F951 WeakPolarHBondContact O-CD1 3.49Å
926	C	88.5	Confident	75.3	Confident	7 Å²	7	82.1 Å²	82.1	5%	0.047	46%	0.461	C	S	.	.			trans	-105.7	118.2	-173.5	-61.5	0	0	0	0	111.6	D924 G930 C932 C941	D924-C926 PolarHBondContact O-N 3.33Å; C926-G930 WeakPolarHBondContact CB-O 3.21Å; C926-C932 WeakPolarHBondContact SG-CA 3.17Å; C926-C932 VanDerWaalsContact SG-CB 3.52Å; C926-C941 WeakPolarHBondContact CA-SG 3.44Å; C926-C941 HydrophobicContact CB-CB 3.8Å; C926-C941 WeakPolarHBondContact CB-SG 3.45Å; C926-C941 VanDerWaalsContact SG-CA 3.51Å; C926-C941 WeakPolarHBondContact SG-CB 3.33Å; C926-C941 CovalentContact SG-SG 2.03Å; C926-C941 PolarHBondContact SG-SG 2.78Å
927	L	85.4	Confident	76.1	Confident	95 Å²	95	79.3 Å²	79.3	50%	0.497	44%	0.442	S	S	.	.			trans	-82.7	162.7	-176	-56	-177.2	0	0	0	112.3	G929 G930 F951 C952 Q953	L927-G929 VanDerWaalsContact C-N 3.29Å; L927-G929 PolarHBondContact O-N 3.3Å; L927-G930 PolarHBondContact O-N 2.92Å; L927-F951 WeakPolarHBondContact CB-O 3.44Å; L927-F951 PolarHBondContact N-O 3.46Å; L927-C952 VanDerWaalsContact O-CB 3.26Å; L927-C952 WeakPolarHBondContact O-CB 3.43Å; L927-Q953 HydrophobicContact CD1-CB 3.91Å
928	N	83.6	Confident	77.2	Confident	61 Å²	61	77.6 Å²	77.6	33%	0.326	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	36	172.9	-54.6	-69.4	0	0	0	114.5	G930 L944 Y947 C952 H967	N928-G930 VanDerWaalsContact C-N 3.31Å; N928-G930 PolarHBondContact O-N 3.29Å; N928-L944 WeakPolarHBondContact O-CD1 3.1Å; N928-Y947 HydrophobicContact CB-CD1 3.64Å; N928-Y947 HydrophobicContact CB-CD2 4.11Å; N928-Y947 HydrophobicContact CB-CE1 3.45Å; N928-Y947 VanDerWaalsContact CB-CE1 3.45Å; N928-Y947 HydrophobicContact CB-CE2 3.93Å; N928-Y947 HydrophobicContact CB-CG 3.95Å; N928-C952 PolarHBondContact ND2-O 3.38Å; N928-H967 PolarHBondContact O-CD2 3Å
929	G	79.4	Confident	78.3	Confident	30 Å²	30	75.6 Å²	75.6	31%	0.309	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	15.2	177.1	0	0	0	0	0	114.6	L927 L944 H967	L927-G929 VanDerWaalsContact C-N 3.29Å; L927-G929 PolarHBondContact O-N 3.3Å; G929-L944 WeakPolarHBondContact O-CG 3.48Å; G929-H967 WeakPolarHBondContact CA-NE2 3.1Å; G929-H967 PolarHBondContact N-NE2 3.25Å
930	G	83.8	Confident	79.2	Confident	3 Å²	3	77.9 Å²	77.9	3%	0.031	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-69.3	137.1	172.4	0	0	0	0	0	111.6	C926 L927 N928 L942	C926-G930 WeakPolarHBondContact CB-O 3.21Å; L927-G930 PolarHBondContact O-N 2.92Å; N928-G930 VanDerWaalsContact C-N 3.31Å; N928-G930 PolarHBondContact O-N 3.29Å; G930-L942 CarbonylContact C-O 3.57Å; G930-L942 WeakPolarHBondContact CA-O 3.42Å
931	T	83.8	Confident	80	Confident	88 Å²	88	77 Å²	77	54%	0.54	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.2	-178.1	-43.9	0	0	0	0	111.3	C941 L942	T931-C941 CarbonylContact O-C 3.51Å; T931-C941 WeakPolarHBondContact O-CA 3.44Å; T931-L942 PolarHBondContact N-O 2.83Å; T931-L942 PolarHBondContact O-N 3.09Å
932	C	86.1	Confident	80.2	Confident	23 Å²	23	79.7 Å²	79.7	16%	0.155	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.3	171.2	-166.9	0	0	0	0	111.8	C921 C926	C921-C932 WeakPolarHBondContact CA-SG 3.48Å; C921-C932 HydrophobicContact CB-CB 3.66Å; C921-C932 WeakPolarHBondContact CB-SG 2.96Å; C921-C932 WeakPolarHBondContact SG-CB 3.01Å; C921-C932 CovalentContact SG-SG 2.04Å; C921-C932 PolarHBondContact SG-SG 3.13Å; C926-C932 WeakPolarHBondContact SG-CA 3.17Å; C926-C932 VanDerWaalsContact SG-CB 3.52Å
933	T	84.8	Confident	80.2	Confident	50 Å²	50	75.9 Å²	75.9	31%	0.307	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.3	169.2	59.1	0	0	0	0	109.5	K940 L942	T933-K940 PolarHBondContact N-O 3.02Å; T933-K940 PolarHBondContact O-N 3.12Å; T933-K940 PolarHBondContact OG1-O 2.93Å; T933-L942 HydrophobicContact CG2-CD1 3.86Å; T933-L942 HydrophobicContact CG2-CG 4.2Å
934	E	80.9	Confident	80	Confident	75 Å²	75	70.7 Å²	70.7	35%	0.35	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.6	169.1	-171.2	177.4	164.3	0	0	109.8	A920 G937	A920-E934 HydrophobicContact CB-CG 4.34Å; A920-E934 WeakPolarHBondContact CB-OE2 3.41Å; A920-E934 PolarHBondContact N-OE2 2.94Å; E934-G937 WeakPolarHBondContact OE1-CA 3.14Å
935	R	67.8	Low	79.6	Confident	189 Å²	189	68.9 Å²	68.9	71%	0.713	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	129.2	168	179.9	167.6	180	158.6	4.7	109.7	G937 H938	R935-G937 PolarHBondContact O-N 3.15Å; R935-H938 PolarHBondContact N-O 2.58Å; R935-H938 VanDerWaalsContact N-O 3.1Å; R935-H938 WeakPolarHBondContact O-CB 3.31Å; R935-H938 PolarHBondContact O-N 2.55Å
936	D	63	Low	79.1	Confident	142 Å²	142	67.9 Å²	67.9	76%	0.759	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	36	176.4	-51.6	-45.3	0	0	0	113.5	H938	D936-H938 VanDerWaalsContact C-N 3.32Å; D936-H938 PolarHBondContact O-N 2.96Å
937	G	66.1	Low	78.8	Confident	55 Å²	55	68.5 Å²	68.5	57%	0.567	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	7.1	-177.6	0	0	0	0	0	115.2	E934 R935	E934-G937 WeakPolarHBondContact OE1-CA 3.14Å; R935-G937 PolarHBondContact O-N 3.15Å
938	H	71.2	Confident	78.6	Confident	146 Å²	146	64.6 Å²	64.6	68%	0.676	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.6	-178.1	-76.6	-133.5	0	0	0	111.4	R935 D936	R935-H938 PolarHBondContact N-O 2.58Å; R935-H938 VanDerWaalsContact N-O 3.1Å; R935-H938 WeakPolarHBondContact O-CB 3.31Å; R935-H938 PolarHBondContact O-N 2.55Å; D936-H938 VanDerWaalsContact C-N 3.32Å; D936-H938 PolarHBondContact O-N 2.96Å
939	I	81.1	Confident	78.8	Confident	62 Å²	62	63.9 Å²	63.9	32%	0.318	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.7	171.3	-61.8	159.6	0	0	0	109.9	A920 P925 F951	A920-I939 HydrophobicContact CB-CD1 3.96Å; A920-I939 HydrophobicContact CB-CG1 3.51Å; A920-I939 WeakPolarHBondContact O-CD1 3.39Å; A920-I939 WeakPolarHBondContact O-CG1 3.43Å; P925-I939 HydrophobicContact CG-CD1 4.1Å; P925-I939 HydrophobicContact CG-CG2 3.77Å; I939-F951 HydrophobicContact CG2-CE1 4.11Å
940	K	85.4	Confident	79	Confident	131 Å²	131	71 Å²	71	57%	0.57	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.3	169.6	-179.3	-173.3	176.4	-172.6	0	110.3	T933	T933-K940 PolarHBondContact N-O 3.02Å; T933-K940 PolarHBondContact O-N 3.12Å; T933-K940 PolarHBondContact OG1-O 2.93Å
941	C	86.3	Confident	79.1	Confident	14 Å²	14	73.4 Å²	73.4	10%	0.095	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.2	171	-57.7	0	0	0	0	111.6	C926 T931 C952	C926-C941 WeakPolarHBondContact CA-SG 3.44Å; C926-C941 HydrophobicContact CB-CB 3.8Å; C926-C941 WeakPolarHBondContact CB-SG 3.45Å; C926-C941 VanDerWaalsContact SG-CA 3.51Å; C926-C941 WeakPolarHBondContact SG-CB 3.33Å; C926-C941 CovalentContact SG-SG 2.03Å; C926-C941 PolarHBondContact SG-SG 2.78Å; T931-C941 CarbonylContact O-C 3.51Å; T931-C941 WeakPolarHBondContact O-CA 3.44Å; C941-C952 VanDerWaalsContact CB-SG 3.52Å
942	L	83.9	Confident	79.3	Confident	84 Å²	84	69.2 Å²	69.2	44%	0.44	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	102.6	168.3	-58.8	-179.5	0	0	0	108.1	G930 T931 T933	G930-L942 CarbonylContact C-O 3.57Å; G930-L942 WeakPolarHBondContact CA-O 3.42Å; T931-L942 PolarHBondContact N-O 2.83Å; T931-L942 PolarHBondContact O-N 3.09Å; T933-L942 HydrophobicContact CG2-CD1 3.86Å; T933-L942 HydrophobicContact CG2-CG 4.2Å
943	C	81	Confident	79.4	Confident	45 Å²	45	72.7 Å²	72.7	30%	0.304	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-76	142.4	-172.5	-52.6	0	0	0	0	112.8	C952	C943-C952 WeakPolarHBondContact CA-SG 3.42Å; C943-C952 HydrophobicContact CB-CB 3.76Å; C943-C952 WeakPolarHBondContact CB-SG 3.27Å; C943-C952 WeakPolarHBondContact SG-CA 3.46Å; C943-C952 WeakPolarHBondContact SG-CB 3.4Å; C943-C952 CovalentContact SG-SG 2.04Å; C943-C952 PolarHBondContact SG-SG 2.75Å
944	L	74.4	Confident	79.5	Confident	52 Å²	52	72.9 Å²	72.9	27%	0.272	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-58.2	152.7	165.3	-67.4	-178	0	0	0	110.6	N928 G929 T946 Y947 H967	N928-L944 WeakPolarHBondContact O-CD1 3.1Å; G929-L944 WeakPolarHBondContact O-CG 3.48Å; L944-T946 PolarHBondContact O-N 3.01Å; L944-Y947 HydrophobicContact CB-CD2 4.21Å; L944-Y947 PolarHBondContact O-N 2.85Å; L944-Y947 VanDerWaalsContact O-N 3.11Å; L944-H967 HydrophobicContact CD1-CB 3.65Å
945	P	68.6	Low	79.5	Confident	57 Å²	57	72.2 Å²	72.2	37%	0.37	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	140.3	173.7	-28.1	35.7	0	0	0	111.8	Y947	P945-Y947 VanDerWaalsContact C-N 3.32Å; P945-Y947 PolarHBondContact O-N 3.37Å
946	T	75.6	Confident	80.2	Confident	17 Å²	17	69 Å²	69	10%	0.104	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	7.5	-175	76.8	0	0	0	0	117.5	L944 L956 E957 K965 T1083	L944-T946 PolarHBondContact O-N 3.01Å; T946-L956 WeakPolarHBondContact O-CB 3.28Å; T946-L956 PolarHBondContact O-N 2.8Å; T946-E957 HydrophobicContact CG2-CB 3.83Å; T946-E957 HydrophobicContact CG2-CG 4.44Å; T946-E957 WeakPolarHBondContact CG2-OE2 3.28Å; T946-K965 PolarHBondContact OG1-NZ 2.79Å; T946-T1083 WeakPolarHBondContact CG2-OG1 3.41Å
947	Y	82	Confident	81	Confident	20 Å²	20	66.1 Å²	66.1	8%	0.078	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.6	166.6	-63.8	-85	0	0	0	112.2	N928 L944 P945 S954 D955 K965	N928-Y947 HydrophobicContact CB-CD1 3.64Å; N928-Y947 HydrophobicContact CB-CD2 4.11Å; N928-Y947 HydrophobicContact CB-CE1 3.45Å; N928-Y947 VanDerWaalsContact CB-CE1 3.45Å; N928-Y947 HydrophobicContact CB-CE2 3.93Å; N928-Y947 HydrophobicContact CB-CG 3.95Å; L944-Y947 HydrophobicContact CB-CD2 4.21Å; L944-Y947 PolarHBondContact O-N 2.85Å; L944-Y947 VanDerWaalsContact O-N 3.11Å; P945-Y947 VanDerWaalsContact C-N 3.32Å; P945-Y947 PolarHBondContact O-N 3.37Å; Y947-S954 CarbonylContact C-O 3.44Å; Y947-S954 WeakPolarHBondContact CA-O 3.48Å; Y947-D955 HydrophobicContact CE1-CB 4.48Å; Y947-K965 WeakPolarHBondContact OH-CE 3.34Å
948	G	82.5	Confident	81.8	Confident	12 Å²	12	73.4 Å²	73.4	12%	0.124	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	-171	178.5	0	0	0	0	0	113.6	C952 Q953 S954	G948-C952 CarbonylContact O-C 3.58Å; G948-C952 VanDerWaalsContact O-CA 3.23Å; G948-C952 WeakPolarHBondContact O-CA 3.21Å; G948-Q953 PolarHBondContact O-N 3Å; G948-S954 PolarHBondContact N-O 2.77Å; G948-S954 WeakPolarHBondContact O-CB 3.13Å; G948-S954 PolarHBondContact O-N 3.16Å
949	G	86.9	Confident	82.5	Confident	47 Å²	47	67.7 Å²	67.7	49%	0.485	34%	0.343	S	S	.	.	S	Bend	trans	84.9	167.7	-167.9	0	0	0	0	0	112.4	F951 C952 Q953	G949-F951 PolarHBondContact O-N 3.27Å; G949-F951 VanDerWaalsContact O-N 3.14Å; G949-C952 PolarHBondContact O-N 3.18Å; G949-Q953 VanDerWaalsContact C-OE1 3.24Å
950	R	84.5	Confident	82.6	Confident	180 Å²	180	68.2 Å²	68.2	68%	0.679	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.8	-171	-164.8	178.3	83.1	173.6	6.7	114
951	F	86.3	Confident	82.6	Confident	52 Å²	52	68.2 Å²	68.2	23%	0.228	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	25.1	-178.1	-62.7	-60	0	0	0	111.5	P925 L927 I939 G949 Q953	P925-F951 HydrophobicContact CB-CD1 4.34Å; P925-F951 HydrophobicContact CB-CE1 4.1Å; P925-F951 WeakPolarHBondContact O-CD1 3.49Å; L927-F951 WeakPolarHBondContact CB-O 3.44Å; L927-F951 PolarHBondContact N-O 3.46Å; I939-F951 HydrophobicContact CG2-CE1 4.11Å; G949-F951 PolarHBondContact O-N 3.27Å; G949-F951 VanDerWaalsContact O-N 3.14Å; F951-Q953 PolarHBondContact O-N 2.04Å; F951-Q953 VanDerWaalsContact O-N 3.07Å
952	C	87.8	Confident	82.7	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.007	38%	0.382	C	S	.	.	S	Bend	trans	57.4	24.1	-178.4	-49.6	0	0	0	0	114.2	L927 N928 C941 C943 G948 G949 S954	L927-C952 VanDerWaalsContact O-CB 3.26Å; L927-C952 WeakPolarHBondContact O-CB 3.43Å; N928-C952 PolarHBondContact ND2-O 3.38Å; C941-C952 VanDerWaalsContact CB-SG 3.52Å; C943-C952 WeakPolarHBondContact CA-SG 3.42Å; C943-C952 HydrophobicContact CB-CB 3.76Å; C943-C952 WeakPolarHBondContact CB-SG 3.27Å; C943-C952 WeakPolarHBondContact SG-CA 3.46Å; C943-C952 WeakPolarHBondContact SG-CB 3.4Å; C943-C952 CovalentContact SG-SG 2.04Å; C943-C952 PolarHBondContact SG-SG 2.75Å; G948-C952 CarbonylContact O-C 3.58Å; G948-C952 VanDerWaalsContact O-CA 3.23Å; G948-C952 WeakPolarHBondContact O-CA 3.21Å; G949-C952 PolarHBondContact O-N 3.18Å; C952-S954 VanDerWaalsContact C-N 3.34Å; C952-S954 PolarHBondContact O-N 2.87Å
953	Q	88.1	Confident	83.1	Confident	95 Å²	95	67.3 Å²	67.3	44%	0.444	36%	0.364	S	S	.	.			trans	-77.5	-15.8	-174.7	74.3	-90	43.4	0	0	114.2	L927 G948 G949 F951	L927-Q953 HydrophobicContact CD1-CB 3.91Å; G948-Q953 PolarHBondContact O-N 3Å; G949-Q953 VanDerWaalsContact C-OE1 3.24Å; F951-Q953 PolarHBondContact O-N 2.04Å; F951-Q953 VanDerWaalsContact O-N 3.07Å
954	S	85.3	Confident	83.6	Confident	54 Å²	54	68.9 Å²	68.9	38%	0.378	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.6	-176.9	-58.1	0	0	0	0	110.3	Y947 G948 C952	Y947-S954 CarbonylContact C-O 3.44Å; Y947-S954 WeakPolarHBondContact CA-O 3.48Å; G948-S954 PolarHBondContact N-O 2.77Å; G948-S954 WeakPolarHBondContact O-CB 3.13Å; G948-S954 PolarHBondContact O-N 3.16Å; C952-S954 VanDerWaalsContact C-N 3.34Å; C952-S954 PolarHBondContact O-N 2.87Å
955	D	82.3	Confident	84.3	Confident	62 Å²	62	68.5 Å²	68.5	33%	0.332	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125.2	165.6	177.2	21.2	0	0	0	110.3	Y947 E957 R958 K965	Y947-D955 HydrophobicContact CE1-CB 4.48Å; D955-E957 PolarHBondContact OD1-N 2.96Å; D955-E957 VanDerWaalsContact OD1-N 3.16Å; D955-R958 VanDerWaalsContact OD2-CG 3.25Å; D955-R958 WeakPolarHBondContact OD2-CG 3.1Å; D955-K965 IonicContact OD1-NZ 3.48Å; D955-K965 PolarHBondContact OD1-NZ 2.89Å
956	L	82.4	Confident	85.2	Confident	120 Å²	120	67.4 Å²	67.4	63%	0.628	36%	0.355	S	S	*	.			trans	-101.5	-20.6	-177.1	-54.7	179.1	0	0	0	113.4	T946	T946-L956 WeakPolarHBondContact O-CB 3.28Å; T946-L956 PolarHBondContact O-N 2.8Å
957	E	79.2	Confident	85.7	Confident	82 Å²	82	68.6 Å²	68.6	38%	0.383	36%	0.36	S	S	.	.	S	Bend	trans	-149.9	110.3	-173.6	-171.2	172.3	-168.5	0	0	110.7	T946 D955 K965	T946-E957 HydrophobicContact CG2-CB 3.83Å; T946-E957 HydrophobicContact CG2-CG 4.44Å; T946-E957 WeakPolarHBondContact CG2-OE2 3.28Å; D955-E957 PolarHBondContact OD1-N 2.96Å; D955-E957 VanDerWaalsContact OD1-N 3.16Å; E957-K965 PolarHBondContact O-NZ 2.86Å
958	R	82.9	Confident	85.6	Confident	209 Å²	209	68 Å²	68	79%	0.789	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-88.2	148.4	-173	-69.8	174.7	-172.6	160.7	5.1	112.1	D955	D955-R958 VanDerWaalsContact OD2-CG 3.25Å; D955-R958 WeakPolarHBondContact OD2-CG 3.1Å
959	C	85.7	Confident	85.7	Confident	25 Å²	25	69.7 Å²	69.7	17%	0.169	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-65.2	158.5	171.6	-63	0	0	0	0	112.8	W963 K965 C970	C959-W963 HydrophobicContact CB-CB 3.87Å; C959-K965 VanDerWaalsContact SG-CB 3.58Å; C959-C970 VanDerWaalsContact CA-SG 3.51Å; C959-C970 HydrophobicContact CB-CB 3.79Å; C959-C970 WeakPolarHBondContact CB-SG 3.22Å; C959-C970 WeakPolarHBondContact SG-CA 3.4Å; C959-C970 WeakPolarHBondContact SG-CB 3.38Å; C959-C970 CovalentContact SG-SG 2.03Å; C959-C970 PolarHBondContact SG-SG 3.13Å
960	E	83.7	Confident	85.9	Confident	74 Å²	74	67.6 Å²	67.6	35%	0.346	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-60.2	148.5	172.6	-66.2	166	-160.2	0	0	110.6	G962 W963 K1081 R1104	E960-G962 PolarHBondContact O-N 2.88Å; E960-W963 WeakPolarHBondContact O-CB 3.16Å; E960-W963 PolarHBondContact O-N 2.59Å; E960-W963 VanDerWaalsContact O-N 3.08Å; E960-K1081 IonicContact OE1-NZ 3.53Å; E960-K1081 PolarHBondContact OE1-NZ 3.11Å; E960-K1081 VanDerWaalsContact OE1-NZ 3.12Å; E960-K1081 IonicContact OE2-NZ 2.7Å; E960-K1081 PolarHBondContact OE2-NZ 2.85Å; E960-R1104 IonicContact OE1-CZ 2.97Å; E960-R1104 IonicContact OE1-NH1 3.29Å; E960-R1104 PolarHBondContact OE1-NH1 3.18Å; E960-R1104 IonicContact OE1-NH2 2.63Å; E960-R1104 PolarHBondContact OE1-NH2 3.16Å
961	P	86.3	Confident	86.4	Confident	131 Å²	131	59 Å²	59	85%	0.851	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131.7	-177.8	-26.8	35.4	0	0	0	113.3
962	G	87.5	Confident	86.8	Confident	59 Å²	59	60 Å²	60	61%	0.608	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	13.4	-174.9	0	0	0	0	0	114.7	E960 R972	E960-G962 PolarHBondContact O-N 2.88Å; G962-R972 WeakPolarHBondContact O-CD 3.44Å; G962-R972 WeakPolarHBondContact O-CG 3.28Å; G962-R972 PolarHBondContact O-NE 3.5Å
963	W	92.3	Very high	87.2	Confident	19 Å²	19	61.7 Å²	61.7	7%	0.072	32%	0.319	C	S	.	.			trans	-117.8	134.9	167.6	-63.6	73.8	0	0	0	110.2	C959 E960 C970 Y971 R972 Q990 A992 C1079 K1081	C959-W963 HydrophobicContact CB-CB 3.87Å; E960-W963 WeakPolarHBondContact O-CB 3.16Å; E960-W963 PolarHBondContact O-N 2.59Å; E960-W963 VanDerWaalsContact O-N 3.08Å; W963-C970 HydrophobicContact CB-CB 4.16Å; W963-C970 HydrophobicContact CE3-CB 4.07Å; W963-Y971 CarbonylContact C-O 3.08Å; W963-Y971 VanDerWaalsContact CA-O 3.28Å; W963-Y971 WeakPolarHBondContact CA-O 3.26Å; W963-R972 HydrophobicContact CD2-CB 3.6Å; W963-R972 HydrophobicContact CD2-CG 4.42Å; W963-R972 HydrophobicContact CE3-CB 3.47Å; W963-R972 VanDerWaalsContact CE3-CB 3.47Å; W963-R972 HydrophobicContact CG-CB 4.2Å; W963-R972 HydrophobicContact CH2-CB 3.97Å; W963-R972 HydrophobicContact CZ2-CB 4.1Å; W963-R972 HydrophobicContact CZ3-CB 3.67Å; W963-Q990 HydrophobicContact CH2-CB 4.08Å; W963-Q990 HydrophobicContact CZ2-CB 3.72Å; W963-Q990 HydrophobicContact CZ2-CG 4.27Å; W963-A992 HydrophobicContact CH2-CB 3.66Å; W963-A992 HydrophobicContact CZ3-CB 4.08Å; W963-C1079 HydrophobicContact CH2-CB 3.79Å; W963-C1079 HydrophobicContact CZ3-CB 3.96Å; W963-K1081 HydrophobicContact CE3-CG 4.15Å; W963-K1081 HydrophobicContact CH2-CD 4.28Å; W963-K1081 HydrophobicContact CH2-CG 4.44Å; W963-K1081 HydrophobicContact CZ3-CD 4.24Å; W963-K1081 HydrophobicContact CZ3-CG 3.94Å
964	D	91.8	Very high	87.6	Confident	78 Å²	78	58.5 Å²	58.5	42%	0.417	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.9	177.4	-54.2	-52.9	0	0	0	109.9	C970 Y971 Y1005 Y1010	D964-C970 CarbonylContact O-C 3.51Å; D964-C970 WeakPolarHBondContact O-CA 3.36Å; D964-Y971 PolarHBondContact N-O 3.12Å; D964-Y971 PolarHBondContact O-N 2.83Å; D964-Y1005 VanDerWaalsContact CB-OH 3.29Å; D964-Y1005 WeakPolarHBondContact CB-OH 3.07Å; D964-Y1010 PolarHBondContact OD2-OH 2.8Å
965	K	88.5	Confident	88	Confident	44 Å²	44	59.1 Å²	59.1	19%	0.191	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.6	-178.5	-173.5	172.4	175.4	169.1	0	111.8	T946 Y947 D955 E957 C959 F969 T1083	T946-K965 PolarHBondContact OG1-NZ 2.79Å; Y947-K965 WeakPolarHBondContact OH-CE 3.34Å; D955-K965 IonicContact OD1-NZ 3.48Å; D955-K965 PolarHBondContact OD1-NZ 2.89Å; E957-K965 PolarHBondContact O-NZ 2.86Å; C959-K965 VanDerWaalsContact SG-CB 3.58Å; K965-F969 WeakPolarHBondContact CA-O 3.43Å; K965-T1083 HydrophobicContact CD-CG2 4.05Å; K965-T1083 HydrophobicContact CG-CG2 4.36Å
966	F	88.9	Confident	88.5	Confident	34 Å²	34	62.1 Å²	62.1	15%	0.149	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	134.4	170.1	179.8	-98.8	0	0	0	111.9	G968 F969 Y971 E1001 E1002 Y1005	F966-G968 PolarHBondContact O-N 3.48Å; F966-F969 PolarHBondContact N-O 3.31Å; F966-F969 PolarHBondContact O-N 2.85Å; F966-Y971 HydrophobicContact CB-CD2 4.12Å; F966-Y971 HydrophobicContact CB-CE2 3.69Å; F966-Y971 HydrophobicContact CD1-CE2 4.38Å; F966-Y971 WeakPolarHBondContact O-CE2 3.16Å; F966-E1001 HydrophobicContact CZ-CB 4.14Å; F966-E1001 WeakPolarHBondContact CZ-O 3.01Å; F966-E1002 HydrophobicContact CE1-CB 4.19Å; F966-Y1005 HydrophobicContact CB-CD1 3.74Å; F966-Y1005 HydrophobicContact CB-CD2 4.01Å; F966-Y1005 HydrophobicContact CB-CE1 3.49Å; F966-Y1005 VanDerWaalsContact CB-CE1 3.49Å; F966-Y1005 HydrophobicContact CB-CE2 3.77Å; F966-Y1005 HydrophobicContact CB-CG 4Å; F966-Y1005 AromaticContact CD1-CD1 3.85Å; F966-Y1005 HydrophobicContact CD1-CD1 3.85Å; F966-Y1005 HydrophobicContact CD1-CD2 4.39Å; F966-Y1005 HydrophobicContact CD1-CE1 4.47Å; F966-Y1005 AromaticContact CD1-CG 3.81Å; F966-Y1005 HydrophobicContact CD1-CG 3.81Å; F966-Y1005 HydrophobicContact CD2-CD1 4.23Å; F966-Y1005 AromaticContact CD2-CD2 3.34Å; F966-Y1005 HydrophobicContact CD2-CD2 3.34Å; F966-Y1005 AromaticContact CD2-CE2 3.76Å; F966-Y1005 HydrophobicContact CD2-CE2 3.76Å; F966-Y1005 AromaticContact CD2-CG 3.61Å; F966-Y1005 HydrophobicContact CD2-CG 3.61Å; F966-Y1005 HydrophobicContact CE1-CG 4.14Å; F966-Y1005 AromaticContact CE2-CD2 3.81Å; F966-Y1005 HydrophobicContact CE2-CD2 3.81Å; F966-Y1005 AromaticContact CE2-CG 3.95Å; F966-Y1005 HydrophobicContact CE2-CG 3.95Å; F966-Y1005 AromaticContact CG-CD1 3.69Å; F966-Y1005 HydrophobicContact CG-CD1 3.69Å; F966-Y1005 AromaticContact CG-CD2 3.67Å; F966-Y1005 HydrophobicContact CG-CD2 3.67Å; F966-Y1005 AromaticContact CG-CE1 3.98Å; F966-Y1005 HydrophobicContact CG-CE1 3.98Å; F966-Y1005 AromaticContact CG-CE2 3.95Å; F966-Y1005 HydrophobicContact CG-CE2 3.95Å; F966-Y1005 AromaticContact CG-CG 3.53Å; F966-Y1005 HydrophobicContact CG-CG 3.53Å; F966-Y1005 HydrophobicContact CZ-CD2 4.5Å; F966-Y1005 HydrophobicContact CZ-CG 4.19Å
967	H	85.9	Confident	89	Confident	42 Å²	42	63 Å²	63	19%	0.194	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	36.5	175.6	-69.9	-174.5	0	0	0	115.8	N928 G929 L944	N928-H967 PolarHBondContact O-CD2 3Å; G929-H967 WeakPolarHBondContact CA-NE2 3.1Å; G929-H967 PolarHBondContact N-NE2 3.25Å; L944-H967 HydrophobicContact CD1-CB 3.65Å
968	G	78.1	Confident	89.6	Confident	8 Å²	8	61 Å²	61	8%	0.082	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-0.1	176.2	0	0	0	0	0	114.7	F966 T1083	F966-G968 PolarHBondContact O-N 3.48Å; G968-T1083 WeakPolarHBondContact O-CB 3.48Å; G968-T1083 WeakPolarHBondContact O-CG2 3.33Å; G968-T1083 PolarHBondContact O-N 3.13Å; G968-T1083 PolarHBondContact O-OG1 3.25Å
969	F	86.1	Confident	90	Very high	47 Å²	47	51.7 Å²	51.7	21%	0.206	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	163.3	175.9	-64.5	-89.4	0	0	0	111.5	K965 F966 Y971 K1080 K1081 T1107	K965-F969 WeakPolarHBondContact CA-O 3.43Å; F966-F969 PolarHBondContact N-O 3.31Å; F966-F969 PolarHBondContact O-N 2.85Å; F969-Y971 HydrophobicContact CB-CE2 3.65Å; F969-Y971 WeakPolarHBondContact CB-OH 3.35Å; F969-K1080 HydrophobicContact CB-CG 4.38Å; F969-K1080 HydrophobicContact CD1-CG 4.29Å; F969-K1081 CarbonylContact C-O 3.51Å; F969-K1081 WeakPolarHBondContact CA-O 3.31Å; F969-T1107 HydrophobicContact CE1-CG2 4.39Å
970	C	90.1	Very high	90.5	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.2	177.3	-59.4	0	0	0	0	109.4	C959 W963 D964 K1080 K1081	C959-C970 VanDerWaalsContact CA-SG 3.51Å; C959-C970 HydrophobicContact CB-CB 3.79Å; C959-C970 WeakPolarHBondContact CB-SG 3.22Å; C959-C970 WeakPolarHBondContact SG-CA 3.4Å; C959-C970 WeakPolarHBondContact SG-CB 3.38Å; C959-C970 CovalentContact SG-SG 2.03Å; C959-C970 PolarHBondContact SG-SG 3.13Å; W963-C970 HydrophobicContact CB-CB 4.16Å; W963-C970 HydrophobicContact CE3-CB 4.07Å; D964-C970 CarbonylContact O-C 3.51Å; D964-C970 WeakPolarHBondContact O-CA 3.36Å; C970-K1080 WeakPolarHBondContact O-CA 3.5Å; C970-K1081 HydrophobicContact CB-CG 4.04Å; C970-K1081 PolarHBondContact N-O 2.86Å; C970-K1081 PolarHBondContact O-N 3.47Å
971	Y	94.8	Very high	90.9	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.1	-177.8	-55	-96	0	0	0	109.8	W963 D964 F966 F969 V995 E1002 Y1005 C1079 K1080	W963-Y971 CarbonylContact C-O 3.08Å; W963-Y971 VanDerWaalsContact CA-O 3.28Å; W963-Y971 WeakPolarHBondContact CA-O 3.26Å; D964-Y971 PolarHBondContact N-O 3.12Å; D964-Y971 PolarHBondContact O-N 2.83Å; F966-Y971 HydrophobicContact CB-CD2 4.12Å; F966-Y971 HydrophobicContact CB-CE2 3.69Å; F966-Y971 HydrophobicContact CD1-CE2 4.38Å; F966-Y971 WeakPolarHBondContact O-CE2 3.16Å; F969-Y971 HydrophobicContact CB-CE2 3.65Å; F969-Y971 WeakPolarHBondContact CB-OH 3.35Å; Y971-V995 HydrophobicContact CD1-CG2 4.1Å; Y971-V995 HydrophobicContact CE1-CG2 4.07Å; Y971-E1002 HydrophobicContact CE1-CG 4.46Å; Y971-E1002 VanDerWaalsContact CE1-OE1 3.3Å; Y971-E1002 WeakPolarHBondContact CE1-OE1 3.02Å; Y971-E1002 PolarHBondContact OH-OE1 2.93Å; Y971-Y1005 AromaticContact CD2-CE1 3.85Å; Y971-Y1005 HydrophobicContact CD2-CE1 3.85Å; Y971-Y1005 HydrophobicContact CE2-CE1 4.31Å; Y971-Y1005 HydrophobicContact CG-CE1 4.16Å; Y971-C1079 CarbonylContact C-O 3.47Å; Y971-C1079 VanDerWaalsContact CA-O 3.3Å; Y971-C1079 WeakPolarHBondContact CA-O 3.46Å; Y971-K1080 HydrophobicContact CD1-CB 4.23Å; Y971-K1080 HydrophobicContact CD1-CG 4.18Å; Y971-K1080 HydrophobicContact CE1-CB 4.26Å; Y971-K1080 HydrophobicContact CE1-CD 3.83Å; Y971-K1080 HydrophobicContact CE1-CG 3.77Å
972	R	95.5	Very high	91.1	Very high	72 Å²	72	46.9 Å²	46.9	27%	0.272	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	116	172.8	-175.6	172.5	178.1	-154.4	-3.9	110.8	G962 W963 F974 T1078 C1079	G962-R972 WeakPolarHBondContact O-CD 3.44Å; G962-R972 WeakPolarHBondContact O-CG 3.28Å; G962-R972 PolarHBondContact O-NE 3.5Å; W963-R972 HydrophobicContact CD2-CB 3.6Å; W963-R972 HydrophobicContact CD2-CG 4.42Å; W963-R972 HydrophobicContact CE3-CB 3.47Å; W963-R972 VanDerWaalsContact CE3-CB 3.47Å; W963-R972 HydrophobicContact CG-CB 4.2Å; W963-R972 HydrophobicContact CH2-CB 3.97Å; W963-R972 HydrophobicContact CZ2-CB 4.1Å; W963-R972 HydrophobicContact CZ3-CB 3.67Å; R972-F974 HydrophobicContact CB-CE2 4.19Å; R972-F974 HydrophobicContact CG-CD2 4.44Å; R972-F974 HydrophobicContact CG-CE1 4.48Å; R972-F974 HydrophobicContact CG-CE2 3.75Å; R972-F974 HydrophobicContact CG-CZ 3.79Å; R972-F974 WeakPolarHBondContact O-CD2 3.42Å; R972-T1078 WeakPolarHBondContact O-CA 3.26Å; R972-C1079 PolarHBondContact N-O 2.98Å; R972-C1079 PolarHBondContact O-N 3.03Å
973	H	96.2	Very high	91.4	Very high	37 Å²	37	44 Å²	44	17%	0.171	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	145.4	176.4	-172.7	71.5	0	0	0	112.2	S975 Y1010 Y1077 T1078	H973-S975 PolarHBondContact NE2-OG 3.02Å; H973-Y1010 HydrophobicContact CB-CD1 3.44Å; H973-Y1010 VanDerWaalsContact CB-CD1 3.44Å; H973-Y1010 HydrophobicContact CB-CD2 4.1Å; H973-Y1010 HydrophobicContact CB-CE1 3.59Å; H973-Y1010 HydrophobicContact CB-CE2 4.22Å; H973-Y1010 HydrophobicContact CB-CG 3.71Å; H973-Y1010 AromaticContact CG-CD1 3.84Å; H973-Y1010 AromaticContact CG-CG 3.83Å; H973-Y1010 AromaticContact ND1-CG 3.97Å; H973-Y1077 CarbonylContact C-O 3.54Å; H973-Y1077 PolarHBondContact ND1-O 3.15Å; H973-T1078 PolarHBondContact ND1-OG1 3Å
974	F	96.3	Very high	91.4	Very high	28 Å²	28	43.4 Å²	43.4	12%	0.123	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	103	176.2	-65	-86.2	0	0	0	109.6	R972 Q976 H986 A1076 Y1077 C1079	R972-F974 HydrophobicContact CB-CE2 4.19Å; R972-F974 HydrophobicContact CG-CD2 4.44Å; R972-F974 HydrophobicContact CG-CE1 4.48Å; R972-F974 HydrophobicContact CG-CE2 3.75Å; R972-F974 HydrophobicContact CG-CZ 3.79Å; R972-F974 WeakPolarHBondContact O-CD2 3.42Å; F974-Q976 PolarHBondContact O-N 3.36Å; F974-Q976 VanDerWaalsContact O-N 3.11Å; F974-H986 AromaticContact CD1-CE1 4Å; F974-H986 AromaticContact CE1-CE1 3.52Å; F974-H986 AromaticContact CZ-CE1 3.6Å; F974-A1076 WeakPolarHBondContact O-CA 3.23Å; F974-A1076 WeakPolarHBondContact O-CB 3.38Å; F974-Y1077 HydrophobicContact CB-CD1 4.26Å; F974-Y1077 HydrophobicContact CB-CD2 4.14Å; F974-Y1077 HydrophobicContact CB-CE1 3.86Å; F974-Y1077 HydrophobicContact CB-CE2 3.74Å; F974-Y1077 HydrophobicContact CB-CG 4.37Å; F974-Y1077 AromaticContact CD2-CD2 3.97Å; F974-Y1077 HydrophobicContact CD2-CD2 3.97Å; F974-Y1077 AromaticContact CD2-CE2 3.51Å; F974-Y1077 HydrophobicContact CD2-CE2 3.51Å; F974-Y1077 HydrophobicContact CE2-CE2 4.29Å; F974-Y1077 HydrophobicContact CG-CD2 4.42Å; F974-Y1077 AromaticContact CG-CE2 3.79Å; F974-Y1077 HydrophobicContact CG-CE2 3.79Å; F974-Y1077 AromaticContact CG-CZ 3.91Å; F974-Y1077 PolarHBondContact N-O 2.98Å; F974-Y1077 PolarHBondContact O-N 3.01Å; F974-Y1077 VanDerWaalsContact O-N 3.07Å; F974-C1079 HydrophobicContact CE2-CB 4.39Å; F974-C1079 VanDerWaalsContact CE2-SG 3.6Å
975	S	94.7	Very high	91.2	Very high	67 Å²	67	45.9 Å²	45.9	47%	0.469	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-0.3	173.6	-50.5	0	0	0	0	113.9	H973 R977 E1012	H973-S975 PolarHBondContact NE2-OG 3.02Å; S975-R977 PolarHBondContact O-N 2.95Å; S975-E1012 WeakPolarHBondContact CB-OE1 3.03Å; S975-E1012 PolarHBondContact OG-OE1 3.34Å
976	Q	92.3	Very high	91.3	Very high	124 Å²	124	46.4 Å²	46.4	58%	0.579	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73	120.8	172	-172.1	-172.5	32.9	0	0	109	F974 Q978 Y1077	F974-Q976 PolarHBondContact O-N 3.36Å; F974-Q976 VanDerWaalsContact O-N 3.11Å; Q976-Q978 VanDerWaalsContact OE1-NE2 3.09Å; Q976-Y1077 VanDerWaalsContact O-CE1 3.27Å; Q976-Y1077 WeakPolarHBondContact O-CE1 3.47Å
977	R	93.3	Very high	91.4	Very high	139 Å²	139	44.8 Å²	44.8	53%	0.525	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127	-176.8	-67.7	-175.9	-179.9	-150.6	-2	112.3	S975 H1074 L1075	S975-R977 PolarHBondContact O-N 2.95Å; R977-H1074 HydrophobicContact CB-CB 4.16Å; R977-H1074 WeakPolarHBondContact CB-O 3.41Å; R977-H1074 WeakPolarHBondContact CD-O 3.36Å; R977-L1075 VanDerWaalsContact CA-O 3.28Å; R977-L1075 WeakPolarHBondContact CA-O 3.46Å
978	Q	92.1	Very high	91.3	Very high	39 Å²	39	48.8 Å²	48.8	18%	0.182	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.8	-174.7	-63.2	-66.2	3.6	0	0	110.9	Q976 V982 A983 W1015 Y1073 H1074 L1075 Y1077	Q976-Q978 VanDerWaalsContact OE1-NE2 3.09Å; Q978-V982 HydrophobicContact CB-CB 4.12Å; Q978-V982 HydrophobicContact CB-CG1 4.01Å; Q978-V982 HydrophobicContact CG-CG1 4.01Å; Q978-A983 HydrophobicContact CB-CB 4.48Å; Q978-W1015 PolarHBondContact O-NE1 3.41Å; Q978-Y1073 VanDerWaalsContact O-O 3.09Å; Q978-H1074 WeakPolarHBondContact O-CA 3.47Å; Q978-L1075 PolarHBondContact N-O 3.21Å; Q978-L1075 PolarHBondContact O-N 3.45Å; Q978-L1075 VanDerWaalsContact O-N 3.11Å; Q978-Y1077 HydrophobicContact CB-CD1 4.42Å; Q978-Y1077 HydrophobicContact CB-CE1 4.04Å; Q978-Y1077 HydrophobicContact CG-CE1 3.71Å
979	S	91.1	Very high	91.4	Very high	15 Å²	15	52.9 Å²	52.9	11%	0.105	25%	0.245	C	C	.	.			trans	-65.5	159.3	165.4	90.6	0	0	0	0	110.9	E981 V982 A983 C1071 Y1073	S979-E981 VanDerWaalsContact C-N 3.3Å; S979-E981 WeakPolarHBondContact CB-OE2 3.49Å; S979-E981 PolarHBondContact O-N 3.36Å; S979-E981 PolarHBondContact OG-OE2 2.75Å; S979-V982 PolarHBondContact O-N 3.47Å; S979-V982 VanDerWaalsContact O-N 3.11Å; S979-V982 PolarHBondContact OG-N 2.94Å; S979-A983 WeakPolarHBondContact O-CB 3.46Å; S979-A983 PolarHBondContact O-N 3.26Å; S979-C1071 WeakPolarHBondContact CB-O 3.23Å; S979-Y1073 WeakPolarHBondContact CA-O 3.14Å
980	W	95.8	Very high	91.2	Very high	16 Å²	16	53.5 Å²	53.5	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-41	-177.7	-172.4	97.5	0	0	0	112.3	V982 A983 E984 L994 W1015 T1016 N1019 K1021 C1055 C1071	W980-V982 VanDerWaalsContact C-N 3.33Å; W980-V982 PolarHBondContact O-N 3.08Å; W980-A983 PolarHBondContact O-N 2.77Å; W980-E984 HydrophobicContact CE3-CB 4.37Å; W980-E984 HydrophobicContact CH2-CB 4.48Å; W980-E984 HydrophobicContact CH2-CG 4.36Å; W980-E984 HydrophobicContact CZ3-CB 4.24Å; W980-E984 HydrophobicContact CZ3-CG 4.36Å; W980-E984 WeakPolarHBondContact O-CB 3.17Å; W980-E984 PolarHBondContact O-N 2.97Å; W980-L994 HydrophobicContact CD2-CD1 4.03Å; W980-L994 HydrophobicContact CG-CD1 4.12Å; W980-L994 HydrophobicContact CZ2-CD1 4.15Å; W980-W1015 HydrophobicContact CB-CD2 4.08Å; W980-W1015 HydrophobicContact CB-CE3 4.47Å; W980-W1015 HydrophobicContact CB-CG 4.47Å; W980-W1015 HydrophobicContact CB-CH2 4.41Å; W980-W1015 HydrophobicContact CB-CZ2 4.02Å; W980-W1015 AromaticContact CD1-CD2 3.75Å; W980-W1015 AromaticContact CD1-CE3 3.67Å; W980-W1015 AromaticContact CD1-CG 3.99Å; W980-W1015 HydrophobicContact CG-CD2 4.34Å; W980-W1015 HydrophobicContact CG-CE3 4.47Å; W980-T1016 PolarHBondContact NE1-O 3.44Å; W980-N1019 HydrophobicContact CH2-CB 4.11Å; W980-N1019 HydrophobicContact CZ2-CB 3.71Å; W980-K1021 HydrophobicContact CE3-CD 4.26Å; W980-K1021 HydrophobicContact CH2-CD 4.46Å; W980-K1021 HydrophobicContact CZ3-CD 4.04Å; W980-C1055 HydrophobicContact CB-CB 4.12Å; W980-C1055 VanDerWaalsContact CB-SG 3.55Å; W980-C1055 VanDerWaalsContact CD2-SG 3.52Å; W980-C1055 HydrophobicContact CG-CB 3.89Å; W980-C1071 HydrophobicContact CB-CB 4.18Å; W980-C1071 PolarHBondContact N-O 2.95Å
981	E	90.8	Very high	90.6	Very high	61 Å²	61	54.4 Å²	54.4	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-36.5	177.7	-54.2	69.9	-151.6	0	0	112.1	S979 R985 K1021 C1071	S979-E981 VanDerWaalsContact C-N 3.3Å; S979-E981 WeakPolarHBondContact CB-OE2 3.49Å; S979-E981 PolarHBondContact O-N 3.36Å; S979-E981 PolarHBondContact OG-OE2 2.75Å; E981-R985 WeakPolarHBondContact O-CB 3.06Å; E981-R985 PolarHBondContact O-N 2.76Å; E981-R985 PolarHBondContact O-NH1 2.89Å; E981-K1021 IonicContact OE1-NZ 2.87Å; E981-K1021 PolarHBondContact OE1-NZ 2.8Å; E981-C1071 VanDerWaalsContact OE1-CB 3.26Å; E981-C1071 WeakPolarHBondContact OE1-CB 3.38Å
982	V	90.9	Very high	90.1	Very high	51 Å²	51	54.5 Å²	54.5	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-72.9	-38	178.2	177.8	0	0	0	0	110.4	Q978 S979 W980 H986	Q978-V982 HydrophobicContact CB-CB 4.12Å; Q978-V982 HydrophobicContact CB-CG1 4.01Å; Q978-V982 HydrophobicContact CG-CG1 4.01Å; S979-V982 PolarHBondContact O-N 3.47Å; S979-V982 VanDerWaalsContact O-N 3.11Å; S979-V982 PolarHBondContact OG-N 2.94Å; W980-V982 VanDerWaalsContact C-N 3.33Å; W980-V982 PolarHBondContact O-N 3.08Å; V982-H986 WeakPolarHBondContact O-CB 3.46Å; V982-H986 PolarHBondContact O-N 3.17Å
983	A	93.2	Very high	89.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-52.2	175.2	0	0	0	0	0	112.3	Q978 S979 W980 R985 H986 C987 L994 Y1077	Q978-A983 HydrophobicContact CB-CB 4.48Å; S979-A983 WeakPolarHBondContact O-CB 3.46Å; S979-A983 PolarHBondContact O-N 3.26Å; W980-A983 PolarHBondContact O-N 2.77Å; A983-R985 PolarHBondContact O-N 3.45Å; A983-H986 PolarHBondContact O-N 2.76Å; A983-H986 VanDerWaalsContact O-N 3.16Å; A983-C987 PolarHBondContact O-N 2.77Å; A983-C987 PolarHBondContact O-SG 3.11Å; A983-C987 VanDerWaalsContact O-SG 3.36Å; A983-L994 HydrophobicContact CB-CD1 4.35Å; A983-L994 HydrophobicContact CB-CD2 3.99Å; A983-Y1077 HydrophobicContact CB-CD1 3.67Å; A983-Y1077 HydrophobicContact CB-CD2 3.85Å; A983-Y1077 HydrophobicContact CB-CE1 4.13Å; A983-Y1077 HydrophobicContact CB-CE2 4.28Å; A983-Y1077 HydrophobicContact CB-CG 3.53Å
984	E	94.1	Very high	89.9	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-45.5	175.4	175.2	62.4	-168.4	0	0	111.7	W980 H986 C987 R988 H993 L994 S1030	W980-E984 HydrophobicContact CE3-CB 4.37Å; W980-E984 HydrophobicContact CH2-CB 4.48Å; W980-E984 HydrophobicContact CH2-CG 4.36Å; W980-E984 HydrophobicContact CZ3-CB 4.24Å; W980-E984 HydrophobicContact CZ3-CG 4.36Å; W980-E984 WeakPolarHBondContact O-CB 3.17Å; W980-E984 PolarHBondContact O-N 2.97Å; E984-H986 VanDerWaalsContact C-N 3.31Å; E984-H986 PolarHBondContact O-N 2.7Å; E984-C987 PolarHBondContact O-N 3.08Å; E984-R988 WeakPolarHBondContact O-CG 3.43Å; E984-R988 PolarHBondContact O-N 3.1Å; E984-R988 IonicContact OE1-CZ 3.6Å; E984-R988 IonicContact OE1-NE 3.21Å; E984-R988 PolarHBondContact OE1-NE 2.73Å; E984-R988 IonicContact OE1-NH2 3.29Å; E984-R988 PolarHBondContact OE1-NH2 3.4Å; E984-H993 IonicContact OE1-CE1 3.18Å; E984-H993 IonicContact OE1-CG 3.79Å; E984-H993 IonicContact OE1-ND1 2.8Å; E984-H993 PolarHBondContact OE1-ND1 2.65Å; E984-L994 HydrophobicContact CB-CD1 3.79Å; E984-L994 HydrophobicContact CB-CG 4.12Å; E984-L994 WeakPolarHBondContact OE2-CB 3.45Å; E984-L994 PolarHBondContact OE2-N 3.22Å; E984-S1030 VanDerWaalsContact CD-CB 3.5Å; E984-S1030 VanDerWaalsContact CD-OG 3.24Å; E984-S1030 WeakPolarHBondContact OE1-CB 3.2Å; E984-S1030 PolarHBondContact OE1-OG 3.1Å; E984-S1030 WeakPolarHBondContact OE2-CB 3.48Å; E984-S1030 PolarHBondContact OE2-OG 3.19Å
985	R	87.3	Confident	89.9	Confident	129 Å²	129	49.8 Å²	49.8	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-42.1	175.2	-170.2	-173.1	-58.5	102	-0.9	111.3	E981 A983 R988 T989	E981-R985 WeakPolarHBondContact O-CB 3.06Å; E981-R985 PolarHBondContact O-N 2.76Å; E981-R985 PolarHBondContact O-NH1 2.89Å; A983-R985 PolarHBondContact O-N 3.45Å; R985-R988 PolarHBondContact O-N 2.57Å; R985-T989 WeakPolarHBondContact O-CG2 3.43Å; R985-T989 PolarHBondContact O-N 2.83Å; R985-T989 VanDerWaalsContact O-N 3.12Å
986	H	90.6	Very high	89.9	Confident	56 Å²	56	46.6 Å²	46.6	26%	0.259	22%	0.218	S	C	.	.	H	α-helix	trans	-65.4	-45.1	177.3	-178.3	-129.8	0	0	0	111.7	F974 V982 A983 E984 R988 T989 Q990 Y1077	F974-H986 AromaticContact CD1-CE1 4Å; F974-H986 AromaticContact CE1-CE1 3.52Å; F974-H986 AromaticContact CZ-CE1 3.6Å; V982-H986 WeakPolarHBondContact O-CB 3.46Å; V982-H986 PolarHBondContact O-N 3.17Å; A983-H986 PolarHBondContact O-N 2.76Å; A983-H986 VanDerWaalsContact O-N 3.16Å; E984-H986 VanDerWaalsContact C-N 3.31Å; E984-H986 PolarHBondContact O-N 2.7Å; H986-R988 VanDerWaalsContact C-N 3.29Å; H986-R988 PolarHBondContact O-N 2.94Å; H986-T989 PolarHBondContact O-N 2.81Å; H986-T989 VanDerWaalsContact O-N 3.08Å; H986-T989 PolarHBondContact O-OG1 3.17Å; H986-Q990 PolarHBondContact O-N 2.9Å; H986-Y1077 HydrophobicContact CB-CE2 4.42Å; H986-Y1077 AromaticContact ND1-CE2 3.64Å; H986-Y1077 AromaticContact ND1-CZ 3.64Å; H986-Y1077 PolarHBondContact ND1-OH 2.04Å
987	C	89.7	Confident	90	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-54.8	-45.1	173.2	-62.8	0	0	0	0	111.7	A983 E984 T989 Q990 G991 A992 H993 C1079	A983-C987 PolarHBondContact O-N 2.77Å; A983-C987 PolarHBondContact O-SG 3.11Å; A983-C987 VanDerWaalsContact O-SG 3.36Å; E984-C987 PolarHBondContact O-N 3.08Å; C987-T989 VanDerWaalsContact C-N 3.31Å; C987-T989 PolarHBondContact O-N 2.87Å; C987-Q990 WeakPolarHBondContact O-CA 3.09Å; C987-Q990 WeakPolarHBondContact O-CB 3.07Å; C987-Q990 PolarHBondContact O-N 3.38Å; C987-G991 PolarHBondContact O-N 3.01Å; C987-A992 CarbonylContact C-O 3.56Å; C987-A992 HydrophobicContact CB-CB 4.33Å; C987-A992 CarbonylContact O-C 3.47Å; C987-A992 WeakPolarHBondContact O-CA 3.39Å; C987-A992 WeakPolarHBondContact O-CB 3.4Å; C987-A992 PolarHBondContact O-N 3.47Å; C987-A992 VanDerWaalsContact O-O 3.06Å; C987-H993 VanDerWaalsContact CB-C 3.4Å; C987-C1079 WeakPolarHBondContact CA-SG 3.44Å; C987-C1079 HydrophobicContact CB-CB 3.73Å; C987-C1079 WeakPolarHBondContact CB-SG 3.4Å; C987-C1079 VanDerWaalsContact SG-CA 3.53Å; C987-C1079 WeakPolarHBondContact SG-CB 3.16Å; C987-C1079 CovalentContact SG-SG 2.04Å; C987-C1079 PolarHBondContact SG-SG 2.83Å
988	R	83.8	Confident	89.7	Confident	125 Å²	125	36.1 Å²	36.1	47%	0.472	18%	0.176	S	C	.	.	H	α-helix	trans	-58.1	-38.7	176.1	-70.9	178	-172.6	-167.8	1.9	112.8	E984 R985 H986 Q990 G991 A992	E984-R988 WeakPolarHBondContact O-CG 3.43Å; E984-R988 PolarHBondContact O-N 3.1Å; E984-R988 IonicContact OE1-CZ 3.6Å; E984-R988 IonicContact OE1-NE 3.21Å; E984-R988 PolarHBondContact OE1-NE 2.73Å; E984-R988 IonicContact OE1-NH2 3.29Å; E984-R988 PolarHBondContact OE1-NH2 3.4Å; R985-R988 PolarHBondContact O-N 2.57Å; H986-R988 VanDerWaalsContact C-N 3.29Å; H986-R988 PolarHBondContact O-N 2.94Å; R988-Q990 PolarHBondContact O-N 3.28Å; R988-G991 PolarHBondContact O-N 2.9Å; R988-G991 VanDerWaalsContact O-N 3.1Å; R988-A992 WeakPolarHBondContact CA-O 3.43Å; R988-A992 PolarHBondContact N-O 2.91Å; R988-A992 VanDerWaalsContact N-O 3.08Å
989	T	80.3	Confident	89.4	Confident	95 Å²	95	36.6 Å²	36.6	58%	0.583	18%	0.181	S	C	*	.	H	α-helix	trans	-64.2	-20.2	174.7	69.3	0	0	0	0	113.9	R985 H986 C987	R985-T989 WeakPolarHBondContact O-CG2 3.43Å; R985-T989 PolarHBondContact O-N 2.83Å; R985-T989 VanDerWaalsContact O-N 3.12Å; H986-T989 PolarHBondContact O-N 2.81Å; H986-T989 VanDerWaalsContact O-N 3.08Å; H986-T989 PolarHBondContact O-OG1 3.17Å; C987-T989 VanDerWaalsContact C-N 3.31Å; C987-T989 PolarHBondContact O-N 2.87Å
990	Q	81.7	Confident	89.5	Confident	60 Å²	60	38.8 Å²	38.8	28%	0.28	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.3	177.1	-52.3	-66.6	-79.9	0	0	113.5	W963 H986 C987 R988 K1081	W963-Q990 HydrophobicContact CH2-CB 4.08Å; W963-Q990 HydrophobicContact CZ2-CB 3.72Å; W963-Q990 HydrophobicContact CZ2-CG 4.27Å; H986-Q990 PolarHBondContact O-N 2.9Å; C987-Q990 WeakPolarHBondContact O-CA 3.09Å; C987-Q990 WeakPolarHBondContact O-CB 3.07Å; C987-Q990 PolarHBondContact O-N 3.38Å; R988-Q990 PolarHBondContact O-N 3.28Å; Q990-K1081 PolarHBondContact O-NZ 2.66Å
991	G	77.4	Confident	89.2	Confident	22 Å²	22	42.8 Å²	42.8	23%	0.227	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	36.9	-172.5	0	0	0	0	0	112.7	C987 R988 K1081	C987-G991 PolarHBondContact O-N 3.01Å; R988-G991 PolarHBondContact O-N 2.9Å; R988-G991 VanDerWaalsContact O-N 3.1Å; G991-K1081 WeakPolarHBondContact O-CB 3.01Å; G991-K1081 VanDerWaalsContact O-CD 3.23Å; G991-K1081 WeakPolarHBondContact O-CD 3.1Å
992	A	85.8	Confident	89.3	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.017	20%	0.202	C	C	.	.			trans	-139.8	176.1	-175.4	0	0	0	0	0	111	W963 C987 R988 C1079 K1080 K1081	W963-A992 HydrophobicContact CH2-CB 3.66Å; W963-A992 HydrophobicContact CZ3-CB 4.08Å; C987-A992 CarbonylContact C-O 3.56Å; C987-A992 HydrophobicContact CB-CB 4.33Å; C987-A992 CarbonylContact O-C 3.47Å; C987-A992 WeakPolarHBondContact O-CA 3.39Å; C987-A992 WeakPolarHBondContact O-CB 3.4Å; C987-A992 PolarHBondContact O-N 3.47Å; C987-A992 VanDerWaalsContact O-O 3.06Å; R988-A992 WeakPolarHBondContact CA-O 3.43Å; R988-A992 PolarHBondContact N-O 2.91Å; R988-A992 VanDerWaalsContact N-O 3.08Å; A992-C1079 HydrophobicContact CB-CB 4.02Å; A992-K1080 WeakPolarHBondContact CA-O 3.49Å; A992-K1080 WeakPolarHBondContact CB-O 3.46Å; A992-K1081 HydrophobicContact CB-CB 3.87Å; A992-K1081 HydrophobicContact CB-CD 4.18Å; A992-K1081 HydrophobicContact CB-CG 4.24Å
993	H	90.7	Very high	89.5	Confident	39 Å²	39	37.9 Å²	37.9	18%	0.181	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	171.2	168.1	-73.8	-88.6	0	0	0	109.4	E984 C987 S1030 D1031 C1079 K1080	E984-H993 IonicContact OE1-CE1 3.18Å; E984-H993 IonicContact OE1-CG 3.79Å; E984-H993 IonicContact OE1-ND1 2.8Å; E984-H993 PolarHBondContact OE1-ND1 2.65Å; C987-H993 VanDerWaalsContact CB-C 3.4Å; H993-S1030 PolarHBondContact CE1-O 2.75Å; H993-S1030 PolarHBondContact ND1-O 3.32Å; H993-S1030 VanDerWaalsContact ND1-O 3.17Å; H993-D1031 HydrophobicContact CB-CB 3.68Å; H993-C1079 CarbonylContact O-C 3.29Å; H993-C1079 WeakPolarHBondContact O-CA 3.3Å; H993-K1080 PolarHBondContact N-O 3.1Å; H993-K1080 PolarHBondContact O-N 2.94Å
994	L	96.7	Very high	89.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	150.5	161.9	-78.6	172.9	0	0	0	110.4	W980 A983 E984 S996 W1015 G1017 Y1077	W980-L994 HydrophobicContact CD2-CD1 4.03Å; W980-L994 HydrophobicContact CG-CD1 4.12Å; W980-L994 HydrophobicContact CZ2-CD1 4.15Å; A983-L994 HydrophobicContact CB-CD1 4.35Å; A983-L994 HydrophobicContact CB-CD2 3.99Å; E984-L994 HydrophobicContact CB-CD1 3.79Å; E984-L994 HydrophobicContact CB-CG 4.12Å; E984-L994 WeakPolarHBondContact OE2-CB 3.45Å; E984-L994 PolarHBondContact OE2-N 3.22Å; L994-S996 PolarHBondContact O-N 2.97Å; L994-S996 VanDerWaalsContact O-N 3.17Å; L994-W1015 HydrophobicContact CD1-CB 4.3Å; L994-W1015 HydrophobicContact CD2-CB 4.15Å; L994-G1017 VanDerWaalsContact CB-CA 3.48Å; L994-Y1077 HydrophobicContact CD2-CD2 4.15Å; L994-Y1077 HydrophobicContact CD2-CG 4.28Å
995	V	96.1	Very high	89.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-63.2	118.8	-170.1	62.7	0	0	0	0	112.1	Y971 I997 I1006 G1017 W1029 T1078 K1080	Y971-V995 HydrophobicContact CD1-CG2 4.1Å; Y971-V995 HydrophobicContact CE1-CG2 4.07Å; V995-I997 HydrophobicContact CG2-CG1 4.37Å; V995-I1006 HydrophobicContact CG2-CD1 3.4Å; V995-I1006 HydrophobicContact CG2-CG1 4.2Å; V995-G1017 PolarHBondContact O-N 2.59Å; V995-W1029 VanDerWaalsContact O-CZ3 3.22Å; V995-W1029 WeakPolarHBondContact O-CZ3 3.48Å; V995-T1078 HydrophobicContact CB-CG2 4.23Å; V995-T1078 WeakPolarHBondContact CB-O 3.42Å; V995-T1078 HydrophobicContact CG1-CG2 4.39Å; V995-T1078 PolarHBondContact N-O 3.38Å; V995-K1080 HydrophobicContact CB-CB 4.26Å; V995-K1080 HydrophobicContact CG2-CB 4.15Å; V995-K1080 HydrophobicContact CG2-CD 4.22Å
996	S	94.2	Very high	89.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-86.3	141.7	164.3	60.6	0	0	0	0	110.6	L994 D1031 N1033 K1080	L994-S996 PolarHBondContact O-N 2.97Å; L994-S996 VanDerWaalsContact O-N 3.17Å; S996-D1031 WeakPolarHBondContact CB-OD2 3.29Å; S996-D1031 PolarHBondContact OG-OD2 2.94Å; S996-N1033 PolarHBondContact OG-ND2 2.78Å; S996-K1080 WeakPolarHBondContact O-CD 3.47Å; S996-K1080 PolarHBondContact O-NZ 3.19Å; S996-K1080 WeakPolarHBondContact OG-CD 3.45Å; S996-K1080 PolarHBondContact OG-NZ 2.79Å; S996-K1080 VanDerWaalsContact OG-NZ 3.1Å
997	I	94.1	Very high	90.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.			trans	-121.5	110.2	-173.2	-51	177.5	0	0	0	108.8	V995 E1002 Q1003 I1006 T1016 W1029 Y1037 M1058 W1066	V995-I997 HydrophobicContact CG2-CG1 4.37Å; I997-E1002 HydrophobicContact CG2-CG 4.29Å; I997-Q1003 HydrophobicContact CG2-CB 3.85Å; I997-I1006 HydrophobicContact CD1-CD1 4.09Å; I997-I1006 HydrophobicContact CG1-CD1 3.81Å; I997-T1016 HydrophobicContact CD1-CG2 4.28Å; I997-W1029 HydrophobicContact CB-CH2 3.76Å; I997-W1029 HydrophobicContact CB-CZ2 4Å; I997-W1029 HydrophobicContact CD1-CH2 4.24Å; I997-W1029 HydrophobicContact CG1-CH2 3.78Å; I997-W1029 HydrophobicContact CG1-CZ3 4.33Å; I997-W1029 VanDerWaalsContact N-CH2 3.33Å; I997-W1029 VanDerWaalsContact N-CZ2 3.35Å; I997-W1029 WeakPolarHBondContact O-CZ2 3.26Å; I997-Y1037 HydrophobicContact CG2-CD1 3.87Å; I997-Y1037 HydrophobicContact CG2-CE1 3.84Å; I997-M1058 HydrophobicContact CD1-CE 3.28Å; I997-W1066 HydrophobicContact CB-CH2 4.4Å; I997-W1066 HydrophobicContact CB-CZ2 3.84Å; I997-W1066 HydrophobicContact CD1-CZ2 3.87Å; I997-W1066 HydrophobicContact CG1-CZ2 4.37Å; I997-W1066 HydrophobicContact CG2-CZ2 4.05Å
998	M	86.8	Confident	90.3	Very high	43 Å²	43	39.5 Å²	39.5	21%	0.212	21%	0.211	C	C	.	.			trans	-104.1	-20.6	-168.5	-56	-74.5	87.8	0	0	113.4	E1002 W1029 N1033 Y1037	M998-E1002 PolarHBondContact N-OE2 3.24Å; M998-W1029 HydrophobicContact CE-CD2 4.47Å; M998-W1029 HydrophobicContact CE-CG 4.31Å; M998-W1029 VanDerWaalsContact CE-NE1 3.35Å; M998-N1033 HydrophobicContact CE-CB 4.01Å; M998-N1033 HydrophobicContact SD-CB 3.81Å; M998-Y1037 WeakPolarHBondContact O-CB 3.43Å
999	T	86.8	Confident	90.7	Very high	49 Å²	49	37.7 Å²	37.7	30%	0.301	21%	0.211	S	C	.	.	S	Bend	trans	-145.3	160.7	-177.6	85	0	0	0	0	112.3	E1001 E1002 Q1003	T999-E1001 VanDerWaalsContact C-N 3.27Å; T999-E1001 WeakPolarHBondContact CB-OE2 3.49Å; T999-E1001 PolarHBondContact O-N 3.42Å; T999-E1001 PolarHBondContact OG1-N 3.27Å; T999-E1001 PolarHBondContact OG1-OE2 2.03Å; T999-E1002 PolarHBondContact O-N 3.24Å; T999-E1002 PolarHBondContact OG1-N 2.94Å; T999-Q1003 PolarHBondContact O-N 2.93Å; T999-Q1003 VanDerWaalsContact O-N 3.08Å
1000	P	92.3	Very high	91.2	Very high	60 Å²	60	34.2 Å²	34.2	39%	0.39	19%	0.187	S	C	.	.	H	α-helix	trans	-59.6	-34.9	174.6	-21.4	32.6	0	0	0	113.3	E1002 Q1003 D1004 Y1037	P1000-E1002 VanDerWaalsContact C-N 3.33Å; P1000-Q1003 WeakPolarHBondContact O-CB 3.46Å; P1000-Q1003 PolarHBondContact O-N 3.36Å; P1000-D1004 PolarHBondContact O-N 2.04Å; P1000-Y1037 HydrophobicContact CB-CE2 4.26Å; P1000-Y1037 HydrophobicContact CG-CD2 4.15Å; P1000-Y1037 HydrophobicContact CG-CE2 3.75Å
1001	E	89.6	Confident	91.6	Very high	101 Å²	101	37.5 Å²	37.5	47%	0.472	20%	0.2	S	C	.	.	H	α-helix	trans	-71.3	-32.4	-179.2	-49.4	71.2	-148.7	0	0	111.2	F966 T999 Y1005	F966-E1001 HydrophobicContact CZ-CB 4.14Å; F966-E1001 WeakPolarHBondContact CZ-O 3.01Å; T999-E1001 VanDerWaalsContact C-N 3.27Å; T999-E1001 WeakPolarHBondContact CB-OE2 3.49Å; T999-E1001 PolarHBondContact O-N 3.42Å; T999-E1001 PolarHBondContact OG1-N 3.27Å; T999-E1001 PolarHBondContact OG1-OE2 2.03Å; E1001-Y1005 WeakPolarHBondContact O-CB 3.06Å; E1001-Y1005 PolarHBondContact O-N 2.91Å
1002	E	93.4	Very high	92.3	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-42.8	169.9	179.6	171.8	-157.3	0	0	111.3	F966 Y971 I997 M998 T999 P1000 Y1005 I1006 K1080	F966-E1002 HydrophobicContact CE1-CB 4.19Å; Y971-E1002 HydrophobicContact CE1-CG 4.46Å; Y971-E1002 VanDerWaalsContact CE1-OE1 3.3Å; Y971-E1002 WeakPolarHBondContact CE1-OE1 3.02Å; Y971-E1002 PolarHBondContact OH-OE1 2.93Å; I997-E1002 HydrophobicContact CG2-CG 4.29Å; M998-E1002 PolarHBondContact N-OE2 3.24Å; T999-E1002 PolarHBondContact O-N 3.24Å; T999-E1002 PolarHBondContact OG1-N 2.94Å; P1000-E1002 VanDerWaalsContact C-N 3.33Å; E1002-Y1005 PolarHBondContact O-N 3.16Å; E1002-I1006 HydrophobicContact CG-CD1 3.7Å; E1002-I1006 HydrophobicContact CG-CG1 4.43Å; E1002-I1006 WeakPolarHBondContact O-CD1 3.4Å; E1002-I1006 VanDerWaalsContact O-CG1 3.24Å; E1002-I1006 WeakPolarHBondContact O-CG1 3.47Å; E1002-I1006 PolarHBondContact O-N 2.89Å; E1002-K1080 VanDerWaalsContact CD-NZ 3.33Å; E1002-K1080 WeakPolarHBondContact OE1-CE 3.08Å; E1002-K1080 IonicContact OE1-NZ 2.74Å; E1002-K1080 PolarHBondContact OE1-NZ 2.9Å; E1002-K1080 IonicContact OE2-NZ 3.82Å; E1002-K1080 PolarHBondContact OE2-NZ 3.45Å
1003	Q	94.7	Very high	92.7	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-48.8	174.6	175.5	57.2	83	0	0	112.2	I997 T999 P1000 Y1005 I1006 N1007 Y1037 N1039 M1058 G1064	I997-Q1003 HydrophobicContact CG2-CB 3.85Å; T999-Q1003 PolarHBondContact O-N 2.93Å; T999-Q1003 VanDerWaalsContact O-N 3.08Å; P1000-Q1003 WeakPolarHBondContact O-CB 3.46Å; P1000-Q1003 PolarHBondContact O-N 3.36Å; Q1003-Y1005 VanDerWaalsContact C-N 3.35Å; Q1003-I1006 PolarHBondContact O-N 2.66Å; Q1003-N1007 VanDerWaalsContact O-CB 3.29Å; Q1003-N1007 WeakPolarHBondContact O-CB 3.46Å; Q1003-N1007 PolarHBondContact O-N 3.4Å; Q1003-Y1037 HydrophobicContact CB-CE1 3.85Å; Q1003-Y1037 HydrophobicContact CG-CE1 4.29Å; Q1003-N1039 VanDerWaalsContact CD-ND2 3.28Å; Q1003-N1039 VanDerWaalsContact CG-ND2 3.34Å; Q1003-N1039 WeakPolarHBondContact CG-ND2 3.21Å; Q1003-N1039 PolarHBondContact OE1-ND2 3.32Å; Q1003-M1058 VanDerWaalsContact NE2-CE 3.26Å; Q1003-M1058 PolarHBondContact NE2-SD 2.02Å; Q1003-G1064 PolarHBondContact NE2-O 3Å; Q1003-G1064 PolarHBondContact OE1-O 3.21Å; Q1003-G1064 VanDerWaalsContact OE1-O 3.14Å
1004	D	94.4	Very high	93	Very high	101 Å²	101	41.5 Å²	41.5	54%	0.54	21%	0.21	S	C	.	.	H	α-helix	trans	-65.6	-37.6	177.4	-83.7	-23.1	0	0	0	111.6	P1000 S1008	P1000-D1004 PolarHBondContact O-N 2.04Å; D1004-S1008 WeakPolarHBondContact O-CB 3.49Å; D1004-S1008 PolarHBondContact O-N 3.42Å; D1004-S1008 PolarHBondContact O-OG 2.82Å
1005	Y	94.7	Very high	93.1	Very high	38 Å²	38	41.5 Å²	41.5	15%	0.149	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-49.9	175.1	175.4	-97.4	0	0	0	112.3	D964 F966 Y971 E1001 E1002 Q1003 S1008 N1009	D964-Y1005 VanDerWaalsContact CB-OH 3.29Å; D964-Y1005 WeakPolarHBondContact CB-OH 3.07Å; F966-Y1005 HydrophobicContact CB-CD1 3.74Å; F966-Y1005 HydrophobicContact CB-CD2 4.01Å; F966-Y1005 HydrophobicContact CB-CE1 3.49Å; F966-Y1005 VanDerWaalsContact CB-CE1 3.49Å; F966-Y1005 HydrophobicContact CB-CE2 3.77Å; F966-Y1005 HydrophobicContact CB-CG 4Å; F966-Y1005 AromaticContact CD1-CD1 3.85Å; F966-Y1005 HydrophobicContact CD1-CD1 3.85Å; F966-Y1005 HydrophobicContact CD1-CD2 4.39Å; F966-Y1005 HydrophobicContact CD1-CE1 4.47Å; F966-Y1005 AromaticContact CD1-CG 3.81Å; F966-Y1005 HydrophobicContact CD1-CG 3.81Å; F966-Y1005 HydrophobicContact CD2-CD1 4.23Å; F966-Y1005 AromaticContact CD2-CD2 3.34Å; F966-Y1005 HydrophobicContact CD2-CD2 3.34Å; F966-Y1005 AromaticContact CD2-CE2 3.76Å; F966-Y1005 HydrophobicContact CD2-CE2 3.76Å; F966-Y1005 AromaticContact CD2-CG 3.61Å; F966-Y1005 HydrophobicContact CD2-CG 3.61Å; F966-Y1005 HydrophobicContact CE1-CG 4.14Å; F966-Y1005 AromaticContact CE2-CD2 3.81Å; F966-Y1005 HydrophobicContact CE2-CD2 3.81Å; F966-Y1005 AromaticContact CE2-CG 3.95Å; F966-Y1005 HydrophobicContact CE2-CG 3.95Å; F966-Y1005 AromaticContact CG-CD1 3.69Å; F966-Y1005 HydrophobicContact CG-CD1 3.69Å; F966-Y1005 AromaticContact CG-CD2 3.67Å; F966-Y1005 HydrophobicContact CG-CD2 3.67Å; F966-Y1005 AromaticContact CG-CE1 3.98Å; F966-Y1005 HydrophobicContact CG-CE1 3.98Å; F966-Y1005 AromaticContact CG-CE2 3.95Å; F966-Y1005 HydrophobicContact CG-CE2 3.95Å; F966-Y1005 AromaticContact CG-CG 3.53Å; F966-Y1005 HydrophobicContact CG-CG 3.53Å; F966-Y1005 HydrophobicContact CZ-CD2 4.5Å; F966-Y1005 HydrophobicContact CZ-CG 4.19Å; Y971-Y1005 AromaticContact CD2-CE1 3.85Å; Y971-Y1005 HydrophobicContact CD2-CE1 3.85Å; Y971-Y1005 HydrophobicContact CE2-CE1 4.31Å; Y971-Y1005 HydrophobicContact CG-CE1 4.16Å; E1001-Y1005 WeakPolarHBondContact O-CB 3.06Å; E1001-Y1005 PolarHBondContact O-N 2.91Å; E1002-Y1005 PolarHBondContact O-N 3.16Å; Q1003-Y1005 VanDerWaalsContact C-N 3.35Å; Y1005-S1008 PolarHBondContact O-OG 2.82Å; Y1005-N1009 WeakPolarHBondContact CD2-ND2 3.36Å; Y1005-N1009 VanDerWaalsContact CE2-ND2 3.29Å; Y1005-N1009 WeakPolarHBondContact CE2-ND2 3.29Å; Y1005-N1009 PolarHBondContact O-N 2.96Å; Y1005-N1009 PolarHBondContact O-ND2 2.92Å
1006	I	94.9	Very high	93.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-48	179.4	-64.8	157.9	0	0	0	109.8	V995 I997 E1002 Q1003 Y1010 M1058	V995-I1006 HydrophobicContact CG2-CD1 3.4Å; V995-I1006 HydrophobicContact CG2-CG1 4.2Å; I997-I1006 HydrophobicContact CD1-CD1 4.09Å; I997-I1006 HydrophobicContact CG1-CD1 3.81Å; E1002-I1006 HydrophobicContact CG-CD1 3.7Å; E1002-I1006 HydrophobicContact CG-CG1 4.43Å; E1002-I1006 WeakPolarHBondContact O-CD1 3.4Å; E1002-I1006 VanDerWaalsContact O-CG1 3.24Å; E1002-I1006 WeakPolarHBondContact O-CG1 3.47Å; E1002-I1006 PolarHBondContact O-N 2.89Å; Q1003-I1006 PolarHBondContact O-N 2.66Å; I1006-Y1010 HydrophobicContact CG2-CD2 4.11Å; I1006-Y1010 WeakPolarHBondContact O-CB 3.03Å; I1006-Y1010 WeakPolarHBondContact O-CD2 3.47Å; I1006-Y1010 PolarHBondContact O-N 3.03Å; I1006-M1058 HydrophobicContact CB-CE 4.25Å; I1006-M1058 HydrophobicContact CG2-CE 3.64Å; I1006-M1058 HydrophobicContact CG2-SD 3.84Å
1007	N	94.2	Very high	93.2	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.102	21%	0.21	C	C	.	.	H	α-helix	trans	-70.4	-37.7	-175	-171.1	43.8	0	0	0	113.6	Q1003 M1058 W1060 N1063 G1064	Q1003-N1007 VanDerWaalsContact O-CB 3.29Å; Q1003-N1007 WeakPolarHBondContact O-CB 3.46Å; Q1003-N1007 PolarHBondContact O-N 3.4Å; N1007-M1058 HydrophobicContact CB-SD 4.21Å; N1007-W1060 PolarHBondContact ND2-O 2.92Å; N1007-W1060 WeakPolarHBondContact OD1-CA 3.36Å; N1007-W1060 WeakPolarHBondContact OD1-CB 3.3Å; N1007-W1060 PolarHBondContact OD1-O 2.89Å; N1007-N1063 VanDerWaalsContact ND2-C 3.35Å; N1007-G1064 PolarHBondContact ND2-N 3.5Å; N1007-G1064 VanDerWaalsContact ND2-N 3.15Å
1008	S	93.4	Very high	93.3	Very high	66 Å²	66	41.5 Å²	41.5	46%	0.462	21%	0.21	S	C	.	.	H	α-helix	trans	-71.1	-30.5	-179.5	60.6	0	0	0	0	113.2	D1004 Y1005 K1011	D1004-S1008 WeakPolarHBondContact O-CB 3.49Å; D1004-S1008 PolarHBondContact O-N 3.42Å; D1004-S1008 PolarHBondContact O-OG 2.82Å; Y1005-S1008 PolarHBondContact O-OG 2.82Å; S1008-K1011 WeakPolarHBondContact O-CE 3.41Å
1009	N	92.7	Very high	93.6	Very high	88 Å²	88	40.3 Å²	40.3	47%	0.471	20%	0.204	S	C	.	.	H	α-helix	trans	-86.9	-41.3	177.3	-70.3	-69.4	0	0	0	112.9	Y1005	Y1005-N1009 WeakPolarHBondContact CD2-ND2 3.36Å; Y1005-N1009 VanDerWaalsContact CE2-ND2 3.29Å; Y1005-N1009 WeakPolarHBondContact CE2-ND2 3.29Å; Y1005-N1009 PolarHBondContact O-N 2.96Å; Y1005-N1009 PolarHBondContact O-ND2 2.92Å
1010	Y	90.8	Very high	93.7	Very high	21 Å²	21	38.1 Å²	38.1	8%	0.082	19%	0.191	C	C	.	.			trans	-114.1	81.4	-168.9	-47.4	-47.5	0	0	0	111.3	D964 H973 I1006 E1012 Q1014 T1078	D964-Y1010 PolarHBondContact OD2-OH 2.8Å; H973-Y1010 HydrophobicContact CB-CD1 3.44Å; H973-Y1010 VanDerWaalsContact CB-CD1 3.44Å; H973-Y1010 HydrophobicContact CB-CD2 4.1Å; H973-Y1010 HydrophobicContact CB-CE1 3.59Å; H973-Y1010 HydrophobicContact CB-CE2 4.22Å; H973-Y1010 HydrophobicContact CB-CG 3.71Å; H973-Y1010 AromaticContact CG-CD1 3.84Å; H973-Y1010 AromaticContact CG-CG 3.83Å; H973-Y1010 AromaticContact ND1-CG 3.97Å; I1006-Y1010 HydrophobicContact CG2-CD2 4.11Å; I1006-Y1010 WeakPolarHBondContact O-CB 3.03Å; I1006-Y1010 WeakPolarHBondContact O-CD2 3.47Å; I1006-Y1010 PolarHBondContact O-N 3.03Å; Y1010-E1012 PolarHBondContact O-N 2.76Å; Y1010-Q1014 PolarHBondContact O-NE2 2.79Å; Y1010-T1078 HydrophobicContact CD2-CG2 4.09Å; Y1010-T1078 HydrophobicContact CE2-CG2 3.81Å
1011	K	90.3	Very high	93.2	Very high	130 Å²	130	38.3 Å²	38.3	57%	0.565	19%	0.186	S	C	*	.			trans	-83.6	51	-169.7	-57.8	-174.1	-174.7	-174.1	0	114	S1008 W1060	S1008-K1011 WeakPolarHBondContact O-CE 3.41Å; K1011-W1060 HydrophobicContact CB-CD2 4.22Å; K1011-W1060 HydrophobicContact CB-CE3 3.87Å; K1011-W1060 HydrophobicContact CB-CZ3 4.31Å; K1011-W1060 HydrophobicContact CG-CE3 4.36Å
1012	E	92.1	Very high	92.3	Very high	59 Å²	59	36.8 Å²	36.8	28%	0.276	18%	0.183	S	C	.	.	S	Bend	trans	-133.5	156.9	176.6	-69.4	-165.7	-132.7	0	0	111	S975 Y1010 Q1014 A1076	S975-E1012 WeakPolarHBondContact CB-OE1 3.03Å; S975-E1012 PolarHBondContact OG-OE1 3.34Å; Y1010-E1012 PolarHBondContact O-N 2.76Å; E1012-Q1014 PolarHBondContact O-N 3.19Å; E1012-Q1014 PolarHBondContact O-NE2 2.83Å; E1012-A1076 HydrophobicContact CB-CB 4.39Å
1013	Y	94.4	Very high	91.3	Very high	88 Å²	88	40.7 Å²	40.7	35%	0.345	21%	0.207	S	C	.	.			trans	-65.1	118.4	166.8	-59	-43.4	0	0	0	109.1	V1059 W1060 H1061 A1076	Y1013-V1059 HydrophobicContact CE1-CG1 3.95Å; Y1013-W1060 AromaticContact CD1-CD1 3.65Å; Y1013-W1060 AromaticContact CE1-CD1 3.66Å; Y1013-W1060 AromaticContact CE1-NE1 3.98Å; Y1013-H1061 AromaticContact CE1-CE1 3.95Å; Y1013-H1061 AromaticContact CE1-ND1 3.7Å; Y1013-H1061 AromaticContact CZ-CE1 3.97Å; Y1013-H1061 PolarHBondContact OH-CE1 3.08Å; Y1013-H1061 PolarHBondContact OH-ND1 3.27Å; Y1013-A1076 PolarHBondContact O-N 2.98Å
1014	Q	96.3	Very high	90.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.5	-169.2	67.5	-169.4	-81.9	0	0	112.6	Y1010 E1012 V1057 M1058 A1076 T1078	Y1010-Q1014 PolarHBondContact O-NE2 2.79Å; E1012-Q1014 PolarHBondContact O-N 3.19Å; E1012-Q1014 PolarHBondContact O-NE2 2.83Å; Q1014-V1057 WeakPolarHBondContact O-CA 3.21Å; Q1014-M1058 HydrophobicContact CG-CB 3.9Å; Q1014-M1058 HydrophobicContact CG-SD 4.45Å; Q1014-M1058 PolarHBondContact O-N 3.48Å; Q1014-A1076 CarbonylContact C-O 3.04Å; Q1014-A1076 WeakPolarHBondContact CA-O 3.06Å; Q1014-A1076 HydrophobicContact CB-CB 4.39Å; Q1014-T1078 PolarHBondContact OE1-OG1 2.84Å
1015	W	98	Very high	89.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.5	170.8	-69.2	128.9	0	0	0	111.5	Q978 W980 L994 C1055 V1057 V1069 P1070 Y1073 L1075 A1076	Q978-W1015 PolarHBondContact O-NE1 3.41Å; W980-W1015 HydrophobicContact CB-CD2 4.08Å; W980-W1015 HydrophobicContact CB-CE3 4.47Å; W980-W1015 HydrophobicContact CB-CG 4.47Å; W980-W1015 HydrophobicContact CB-CH2 4.41Å; W980-W1015 HydrophobicContact CB-CZ2 4.02Å; W980-W1015 AromaticContact CD1-CD2 3.75Å; W980-W1015 AromaticContact CD1-CE3 3.67Å; W980-W1015 AromaticContact CD1-CG 3.99Å; W980-W1015 HydrophobicContact CG-CD2 4.34Å; W980-W1015 HydrophobicContact CG-CE3 4.47Å; L994-W1015 HydrophobicContact CD1-CB 4.3Å; L994-W1015 HydrophobicContact CD2-CB 4.15Å; W1015-C1055 HydrophobicContact CE3-CB 4.28Å; W1015-C1055 HydrophobicContact CH2-CB 3.88Å; W1015-C1055 HydrophobicContact CZ3-CB 3.58Å; W1015-C1055 WeakPolarHBondContact CZ3-O 3.37Å; W1015-V1057 HydrophobicContact CE3-CB 4.45Å; W1015-V1057 HydrophobicContact CZ3-CB 4.46Å; W1015-V1069 HydrophobicContact CH2-CG2 3.66Å; W1015-V1069 HydrophobicContact CZ3-CG2 3.47Å; W1015-V1069 VanDerWaalsContact CZ3-CG2 3.47Å; W1015-P1070 WeakPolarHBondContact CH2-O 3.3Å; W1015-Y1073 WeakPolarHBondContact CZ2-O 3.44Å; W1015-Y1073 PolarHBondContact NE1-O 2.82Å; W1015-L1075 HydrophobicContact CD2-CB 4.3Å; W1015-L1075 HydrophobicContact CD2-CD1 3.94Å; W1015-L1075 HydrophobicContact CE3-CD1 4.03Å; W1015-L1075 HydrophobicContact CG-CB 4.28Å; W1015-L1075 HydrophobicContact CH2-CD1 4.09Å; W1015-L1075 HydrophobicContact CZ2-CD1 3.99Å; W1015-L1075 HydrophobicContact CZ2-CG 4.37Å; W1015-L1075 HydrophobicContact CZ3-CD1 4.09Å; W1015-A1076 PolarHBondContact N-O 2.94Å
1016	T	97.6	Very high	89.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	170.2	165.4	77.3	0	0	0	0	109.7	W980 I997 L1018 V1056 M1058	W980-T1016 PolarHBondContact NE1-O 3.44Å; I997-T1016 HydrophobicContact CD1-CG2 4.28Å; T1016-L1018 PolarHBondContact O-N 3.42Å; T1016-L1018 PolarHBondContact OG1-N 2.88Å; T1016-V1056 PolarHBondContact N-O 3.07Å; T1016-V1056 PolarHBondContact OG1-O 3.18Å; T1016-M1058 HydrophobicContact CG2-CB 3.94Å; T1016-M1058 HydrophobicContact CG2-CE 4.32Å
1017	G	96.3	Very high	88.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-1.3	173.9	0	0	0	0	0	114.6	L994 V995 N1019 W1029 S1030	L994-G1017 VanDerWaalsContact CB-CA 3.48Å; V995-G1017 PolarHBondContact O-N 2.59Å; G1017-N1019 PolarHBondContact O-ND2 2.8Å; G1017-W1029 VanDerWaalsContact C-CE3 3.47Å; G1017-W1029 CarbonylContact O-C 3.51Å; G1017-W1029 WeakPolarHBondContact O-CA 3.42Å; G1017-S1030 PolarHBondContact O-N 3.32Å
1018	L	96.7	Very high	88.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.7	-175.6	-165.2	60.6	0	0	0	110	T1016 F1027 R1028 W1029 L1035 W1040 V1056 W1066	T1016-L1018 PolarHBondContact O-N 3.42Å; T1016-L1018 PolarHBondContact OG1-N 2.88Å; L1018-F1027 HydrophobicContact CD1-CB 3.82Å; L1018-F1027 HydrophobicContact CD2-CB 4.41Å; L1018-F1027 HydrophobicContact CG-CB 4.03Å; L1018-F1027 HydrophobicContact CG-CD1 4.15Å; L1018-F1027 HydrophobicContact CG-CG 4.5Å; L1018-R1028 WeakPolarHBondContact CA-O 3.36Å; L1018-W1029 HydrophobicContact CB-CD2 4.26Å; L1018-W1029 HydrophobicContact CB-CE3 3.7Å; L1018-W1029 HydrophobicContact CB-CH2 3.88Å; L1018-W1029 HydrophobicContact CB-CZ2 4.39Å; L1018-W1029 HydrophobicContact CB-CZ3 3.52Å; L1018-W1029 HydrophobicContact CD1-CD2 3.94Å; L1018-W1029 HydrophobicContact CD1-CE3 4.25Å; L1018-W1029 HydrophobicContact CD1-CG 4.32Å; L1018-W1029 HydrophobicContact CD1-CZ2 4.33Å; L1018-W1029 HydrophobicContact CD2-CH2 4.35Å; L1018-W1029 HydrophobicContact CD2-CZ2 4.34Å; L1018-W1029 VanDerWaalsContact N-CE3 3.27Å; L1018-L1035 HydrophobicContact CD1-CD1 3.94Å; L1018-L1035 HydrophobicContact CD1-CD2 4.39Å; L1018-L1035 HydrophobicContact CD2-CD1 4.1Å; L1018-W1040 HydrophobicContact CD2-CH2 3.97Å; L1018-W1040 HydrophobicContact CD2-CZ2 3.78Å; L1018-V1056 HydrophobicContact CB-CB 3.88Å; L1018-V1056 HydrophobicContact CB-CG1 4.37Å; L1018-V1056 HydrophobicContact CB-CG2 3.86Å; L1018-V1056 HydrophobicContact CD2-CG1 4.5Å; L1018-V1056 HydrophobicContact CD2-CG2 4.16Å; L1018-V1056 HydrophobicContact CG-CB 4.47Å; L1018-V1056 HydrophobicContact CG-CG2 3.94Å; L1018-V1056 WeakPolarHBondContact O-CB 3.15Å; L1018-V1056 WeakPolarHBondContact O-CG2 3.19Å; L1018-V1056 PolarHBondContact O-N 2.86Å; L1018-W1066 HydrophobicContact CD2-CE3 3.6Å; L1018-W1066 HydrophobicContact CD2-CZ3 3.59Å
1019	N	92.9	Very high	88.4	Confident	18 Å²	18	49.9 Å²	49.9	10%	0.096	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	145.6	-175.2	73.3	119.5	0	0	0	110.3	W980 G1017 K1021 R1028 D1054	W980-N1019 HydrophobicContact CH2-CB 4.11Å; W980-N1019 HydrophobicContact CZ2-CB 3.71Å; G1017-N1019 PolarHBondContact O-ND2 2.8Å; N1019-K1021 HydrophobicContact CB-CD 4.06Å; N1019-K1021 HydrophobicContact CB-CG 4.06Å; N1019-R1028 PolarHBondContact N-O 2.9Å; N1019-R1028 PolarHBondContact ND2-O 2.94Å; N1019-R1028 PolarHBondContact O-N 3.35Å; N1019-R1028 VanDerWaalsContact O-O 3.08Å; N1019-D1054 WeakPolarHBondContact CA-O 3.26Å; N1019-D1054 VanDerWaalsContact CB-O 3.23Å; N1019-D1054 WeakPolarHBondContact CB-O 3.03Å
1020	D	88.8	Confident	88.1	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	22%	0.224	C	C	.	.			trans	-114.7	7.7	177.4	62.9	-33.2	0	0	0	113	T1022 V1023 E1024 D1025 F1027 D1054	D1020-T1022 PolarHBondContact O-N 2.8Å; D1020-V1023 CarbonylContact O-C 3.59Å; D1020-V1023 PolarHBondContact O-N 3.09Å; D1020-E1024 WeakPolarHBondContact OD2-CA 3.3Å; D1020-D1025 PolarHBondContact OD2-N 3.18Å; D1020-F1027 HydrophobicContact CB-CD1 3.75Å; D1020-F1027 HydrophobicContact CB-CD2 4.18Å; D1020-F1027 HydrophobicContact CB-CE1 3.84Å; D1020-F1027 HydrophobicContact CB-CE2 4.25Å; D1020-F1027 HydrophobicContact CB-CG 3.93Å; D1020-F1027 HydrophobicContact CB-CZ 4.09Å; D1020-F1027 VanDerWaalsContact CG-CE1 3.41Å; D1020-F1027 VanDerWaalsContact CG-CZ 3.44Å; D1020-F1027 VanDerWaalsContact OD1-CE1 3.23Å; D1020-F1027 WeakPolarHBondContact OD1-CE1 3.44Å; D1020-F1027 WeakPolarHBondContact OD2-CZ 3.33Å; D1020-D1054 PolarHBondContact N-O 2.69Å; D1020-D1054 VanDerWaalsContact OD1-CA 3.23Å; D1020-D1054 WeakPolarHBondContact OD1-CA 3.27Å
1021	K	82	Confident	87.6	Confident	64 Å²	64	47.1 Å²	47.1	28%	0.278	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-35	-12.5	172.6	-64.5	-179.4	85.3	152.4	0	119.9	W980 E981 N1019 D1054	W980-K1021 HydrophobicContact CE3-CD 4.26Å; W980-K1021 HydrophobicContact CH2-CD 4.46Å; W980-K1021 HydrophobicContact CZ3-CD 4.04Å; E981-K1021 IonicContact OE1-NZ 2.87Å; E981-K1021 PolarHBondContact OE1-NZ 2.8Å; N1019-K1021 HydrophobicContact CB-CD 4.06Å; N1019-K1021 HydrophobicContact CB-CG 4.06Å; K1021-D1054 HydrophobicContact CB-CB 4.31Å; K1021-D1054 HydrophobicContact CD-CB 4.44Å; K1021-D1054 HydrophobicContact CG-CB 3.37Å
1022	T	70.6	Confident	86.9	Confident	69 Å²	69	43.2 Å²	43.2	42%	0.423	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-29.5	177.3	48.1	0	0	0	0	113.9	D1020	D1020-T1022 PolarHBondContact O-N 2.8Å
1023	V	72.3	Confident	86.1	Confident	88 Å²	88	41.3 Å²	41.3	53%	0.533	22%	0.217	S	C	.	.	S	Bend	trans	-162.1	112	-177.9	176.9	0	0	0	0	106.2	D1020 D1026	D1020-V1023 CarbonylContact O-C 3.59Å; D1020-V1023 PolarHBondContact O-N 3.09Å; V1023-D1026 HydrophobicContact CB-CB 3.96Å; V1023-D1026 HydrophobicContact CG1-CB 3.96Å; V1023-D1026 WeakPolarHBondContact O-CB 3.24Å; V1023-D1026 PolarHBondContact O-N 2.91Å; V1023-D1026 VanDerWaalsContact O-N 3.1Å
1024	E	78.6	Confident	85.2	Confident	89 Å²	89	40.4 Å²	40.4	42%	0.416	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	147.9	177.8	-162.3	118.8	148.3	0	0	111.4	D1020 D1026	D1020-E1024 WeakPolarHBondContact OD2-CA 3.3Å; E1024-D1026 PolarHBondContact O-N 3.3Å
1025	D	78.1	Confident	84.7	Confident	134 Å²	134	42.4 Å²	42.4	72%	0.717	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	-14.1	-171.6	-70.9	-51.7	0	0	0	115.6	D1020 F1027	D1020-D1025 PolarHBondContact OD2-N 3.18Å; D1025-F1027 PolarHBondContact O-N 3.1Å
1026	D	82.9	Confident	84	Confident	56 Å²	56	49 Å²	49	30%	0.299	27%	0.267	S	S	.	.			trans	-92.8	59.3	-178.7	-167.1	45.9	0	0	0	113.2	V1023 E1024 R1028	V1023-D1026 HydrophobicContact CB-CB 3.96Å; V1023-D1026 HydrophobicContact CG1-CB 3.96Å; V1023-D1026 WeakPolarHBondContact O-CB 3.24Å; V1023-D1026 PolarHBondContact O-N 2.91Å; V1023-D1026 VanDerWaalsContact O-N 3.1Å; E1024-D1026 PolarHBondContact O-N 3.3Å; D1026-R1028 VanDerWaalsContact CG-NE 3.33Å; D1026-R1028 WeakPolarHBondContact O-CG 3.41Å; D1026-R1028 PolarHBondContact O-N 2.95Å; D1026-R1028 IonicContact OD1-CZ 3.66Å; D1026-R1028 IonicContact OD1-NE 2.7Å; D1026-R1028 PolarHBondContact OD1-NE 2.86Å; D1026-R1028 IonicContact OD1-NH1 3.14Å; D1026-R1028 IonicContact OD1-NH2 2.77Å; D1026-R1028 PolarHBondContact OD1-NH2 3.33Å; D1026-R1028 IonicContact OD2-CZ 2.65Å; D1026-R1028 IonicContact OD2-NE 2.76Å; D1026-R1028 PolarHBondContact OD2-NE 2.85Å; D1026-R1028 IonicContact OD2-NH2 3.22Å; D1026-R1028 PolarHBondContact OD2-NH2 3.31Å
1027	F	88	Confident	83.6	Confident	14 Å²	14	51 Å²	51	6%	0.061	28%	0.275	C	S	.	.			trans	-55.1	117.4	-175.4	-72.6	-83.5	0	0	0	114.3	L1018 D1020 D1025 L1035 W1040 P1045 V1056	L1018-F1027 HydrophobicContact CD1-CB 3.82Å; L1018-F1027 HydrophobicContact CD2-CB 4.41Å; L1018-F1027 HydrophobicContact CG-CB 4.03Å; L1018-F1027 HydrophobicContact CG-CD1 4.15Å; L1018-F1027 HydrophobicContact CG-CG 4.5Å; D1020-F1027 HydrophobicContact CB-CD1 3.75Å; D1020-F1027 HydrophobicContact CB-CD2 4.18Å; D1020-F1027 HydrophobicContact CB-CE1 3.84Å; D1020-F1027 HydrophobicContact CB-CE2 4.25Å; D1020-F1027 HydrophobicContact CB-CG 3.93Å; D1020-F1027 HydrophobicContact CB-CZ 4.09Å; D1020-F1027 VanDerWaalsContact CG-CE1 3.41Å; D1020-F1027 VanDerWaalsContact CG-CZ 3.44Å; D1020-F1027 VanDerWaalsContact OD1-CE1 3.23Å; D1020-F1027 WeakPolarHBondContact OD1-CE1 3.44Å; D1020-F1027 WeakPolarHBondContact OD2-CZ 3.33Å; D1025-F1027 PolarHBondContact O-N 3.1Å; F1027-L1035 HydrophobicContact CB-CD2 4.16Å; F1027-W1040 HydrophobicContact CB-CZ2 4.41Å; F1027-W1040 AromaticContact CD1-CH2 3.75Å; F1027-W1040 HydrophobicContact CD1-CH2 3.75Å; F1027-W1040 HydrophobicContact CD1-CZ2 4.1Å; F1027-W1040 HydrophobicContact CD2-CH2 4.21Å; F1027-W1040 AromaticContact CD2-CZ2 3.98Å; F1027-W1040 HydrophobicContact CD2-CZ2 3.98Å; F1027-W1040 AromaticContact CE1-CH2 3.72Å; F1027-W1040 HydrophobicContact CE1-CH2 3.72Å; F1027-W1040 HydrophobicContact CE1-CZ2 4.41Å; F1027-W1040 HydrophobicContact CE2-CH2 4.2Å; F1027-W1040 HydrophobicContact CE2-CZ2 4.3Å; F1027-W1040 HydrophobicContact CG-CH2 4Å; F1027-W1040 AromaticContact CG-CZ2 3.87Å; F1027-W1040 HydrophobicContact CG-CZ2 3.87Å; F1027-W1040 AromaticContact CZ-CH2 3.96Å; F1027-W1040 HydrophobicContact CZ-CH2 3.96Å; F1027-P1045 HydrophobicContact CD2-CG 4.4Å; F1027-P1045 HydrophobicContact CE2-CB 3.75Å; F1027-P1045 HydrophobicContact CE2-CG 3.64Å; F1027-P1045 HydrophobicContact CZ-CB 3.74Å; F1027-P1045 HydrophobicContact CZ-CG 4.16Å; F1027-V1056 HydrophobicContact CD1-CG2 3.96Å; F1027-V1056 HydrophobicContact CE1-CG2 3.87Å
1028	R	87.6	Confident	83.4	Confident	120 Å²	120	56.3 Å²	56.3	45%	0.453	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.2	178.6	-56	-47.5	-176	-176.5	1	112.5	L1018 N1019 D1026	L1018-R1028 WeakPolarHBondContact CA-O 3.36Å; N1019-R1028 PolarHBondContact N-O 2.9Å; N1019-R1028 PolarHBondContact ND2-O 2.94Å; N1019-R1028 PolarHBondContact O-N 3.35Å; N1019-R1028 VanDerWaalsContact O-O 3.08Å; D1026-R1028 VanDerWaalsContact CG-NE 3.33Å; D1026-R1028 WeakPolarHBondContact O-CG 3.41Å; D1026-R1028 PolarHBondContact O-N 2.95Å; D1026-R1028 IonicContact OD1-CZ 3.66Å; D1026-R1028 IonicContact OD1-NE 2.7Å; D1026-R1028 PolarHBondContact OD1-NE 2.86Å; D1026-R1028 IonicContact OD1-NH1 3.14Å; D1026-R1028 IonicContact OD1-NH2 2.77Å; D1026-R1028 PolarHBondContact OD1-NH2 3.33Å; D1026-R1028 IonicContact OD2-CZ 2.65Å; D1026-R1028 IonicContact OD2-NE 2.76Å; D1026-R1028 PolarHBondContact OD2-NE 2.85Å; D1026-R1028 IonicContact OD2-NH2 3.22Å; D1026-R1028 PolarHBondContact OD2-NH2 3.31Å
1029	W	90.3	Very high	83.3	Confident	7 Å²	7	57.8 Å²	57.8	3%	0.027	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.2	169.5	-64.2	106.8	0	0	0	111.3	V995 I997 M998 G1017 L1018 D1031 G1032 N1033 L1035 W1066	V995-W1029 VanDerWaalsContact O-CZ3 3.22Å; V995-W1029 WeakPolarHBondContact O-CZ3 3.48Å; I997-W1029 HydrophobicContact CB-CH2 3.76Å; I997-W1029 HydrophobicContact CB-CZ2 4Å; I997-W1029 HydrophobicContact CD1-CH2 4.24Å; I997-W1029 HydrophobicContact CG1-CH2 3.78Å; I997-W1029 HydrophobicContact CG1-CZ3 4.33Å; I997-W1029 VanDerWaalsContact N-CH2 3.33Å; I997-W1029 VanDerWaalsContact N-CZ2 3.35Å; I997-W1029 WeakPolarHBondContact O-CZ2 3.26Å; M998-W1029 HydrophobicContact CE-CD2 4.47Å; M998-W1029 HydrophobicContact CE-CG 4.31Å; M998-W1029 VanDerWaalsContact CE-NE1 3.35Å; G1017-W1029 VanDerWaalsContact C-CE3 3.47Å; G1017-W1029 CarbonylContact O-C 3.51Å; G1017-W1029 WeakPolarHBondContact O-CA 3.42Å; L1018-W1029 HydrophobicContact CB-CD2 4.26Å; L1018-W1029 HydrophobicContact CB-CE3 3.7Å; L1018-W1029 HydrophobicContact CB-CH2 3.88Å; L1018-W1029 HydrophobicContact CB-CZ2 4.39Å; L1018-W1029 HydrophobicContact CB-CZ3 3.52Å; L1018-W1029 HydrophobicContact CD1-CD2 3.94Å; L1018-W1029 HydrophobicContact CD1-CE3 4.25Å; L1018-W1029 HydrophobicContact CD1-CG 4.32Å; L1018-W1029 HydrophobicContact CD1-CZ2 4.33Å; L1018-W1029 HydrophobicContact CD2-CH2 4.35Å; L1018-W1029 HydrophobicContact CD2-CZ2 4.34Å; L1018-W1029 VanDerWaalsContact N-CE3 3.27Å; W1029-D1031 WeakPolarHBondContact CB-OD1 3.27Å; W1029-D1031 PolarHBondContact O-N 3.2Å; W1029-D1031 VanDerWaalsContact O-N 3.08Å; W1029-G1032 PolarHBondContact O-N 3.49Å; W1029-N1033 HydrophobicContact CB-CB 4.42Å; W1029-L1035 HydrophobicContact CZ2-CD1 4.01Å; W1029-W1066 AromaticContact CH2-CH2 3.93Å; W1029-W1066 HydrophobicContact CH2-CH2 3.93Å; W1029-W1066 HydrophobicContact CH2-CZ2 4.12Å; W1029-W1066 HydrophobicContact CH2-CZ3 4.37Å; W1029-W1066 AromaticContact CZ2-CH2 3.7Å; W1029-W1066 HydrophobicContact CZ2-CH2 3.7Å; W1029-W1066 HydrophobicContact CZ2-CZ2 4.29Å; W1029-W1066 HydrophobicContact CZ2-CZ3 4.16Å
1030	S	86.1	Confident	83.4	Confident	17 Å²	17	58.7 Å²	58.7	12%	0.119	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.4	-177.7	69	0	0	0	0	115.1	E984 H993 G1017	E984-S1030 VanDerWaalsContact CD-CB 3.5Å; E984-S1030 VanDerWaalsContact CD-OG 3.24Å; E984-S1030 WeakPolarHBondContact OE1-CB 3.2Å; E984-S1030 PolarHBondContact OE1-OG 3.1Å; E984-S1030 WeakPolarHBondContact OE2-CB 3.48Å; E984-S1030 PolarHBondContact OE2-OG 3.19Å; H993-S1030 PolarHBondContact CE1-O 2.75Å; H993-S1030 PolarHBondContact ND1-O 3.32Å; H993-S1030 VanDerWaalsContact ND1-O 3.17Å; G1017-S1030 PolarHBondContact O-N 3.32Å
1031	D	80.6	Confident	83.5	Confident	34 Å²	34	63 Å²	63	18%	0.182	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-1.2	173.6	67.6	5	0	0	0	114.3	H993 S996 W1029 N1033	H993-D1031 HydrophobicContact CB-CB 3.68Å; S996-D1031 WeakPolarHBondContact CB-OD2 3.29Å; S996-D1031 PolarHBondContact OG-OD2 2.94Å; W1029-D1031 WeakPolarHBondContact CB-OD1 3.27Å; W1029-D1031 PolarHBondContact O-N 3.2Å; W1029-D1031 VanDerWaalsContact O-N 3.08Å; D1031-N1033 VanDerWaalsContact OD1-CB 3.28Å; D1031-N1033 WeakPolarHBondContact OD1-CB 3.46Å; D1031-N1033 PolarHBondContact OD1-N 2.91Å; D1031-N1033 PolarHBondContact OD1-ND2 3.49Å; D1031-N1033 VanDerWaalsContact OD1-ND2 3.08Å; D1031-N1033 PolarHBondContact OD2-ND2 2.84Å
1032	G	74.5	Confident	83.6	Confident	48 Å²	48	70.5 Å²	70.5	50%	0.495	35%	0.353	S	S	.	.			trans	75.4	18.2	-179.6	0	0	0	0	0	114.8	W1029	W1029-G1032 PolarHBondContact O-N 3.49Å
1033	N	75.8	Confident	84.1	Confident	19 Å²	19	70.1 Å²	70.1	10%	0.102	36%	0.363	C	S	.	.			trans	-73.7	147.8	164.8	-75.1	-49.1	0	0	0	111.6	S996 M998 W1029 D1031 N1108	S996-N1033 PolarHBondContact OG-ND2 2.78Å; M998-N1033 HydrophobicContact CE-CB 4.01Å; M998-N1033 HydrophobicContact SD-CB 3.81Å; W1029-N1033 HydrophobicContact CB-CB 4.42Å; D1031-N1033 VanDerWaalsContact OD1-CB 3.28Å; D1031-N1033 WeakPolarHBondContact OD1-CB 3.46Å; D1031-N1033 PolarHBondContact OD1-N 2.91Å; D1031-N1033 PolarHBondContact OD1-ND2 3.49Å; D1031-N1033 VanDerWaalsContact OD1-ND2 3.08Å; D1031-N1033 PolarHBondContact OD2-ND2 2.84Å; N1033-N1108 PolarHBondContact OD1-ND2 3.12Å
1034	P	75.7	Confident	84.7	Confident	69 Å²	69	67.6 Å²	67.6	45%	0.448	35%	0.345	S	S	.	.			trans	-69	147.3	172.3	29.3	-34.2	0	0	0	111.5	L1036	P1034-L1036 HydrophobicContact CB-CD2 4.19Å; P1034-L1036 HydrophobicContact CB-CG 4.04Å; P1034-L1036 HydrophobicContact CG-CD1 3.8Å; P1034-L1036 HydrophobicContact CG-CD2 4.29Å; P1034-L1036 HydrophobicContact CG-CG 3.83Å; P1034-L1036 PolarHBondContact O-N 3.33Å
1035	L	84.7	Confident	84.9	Confident	42 Å²	42	65.6 Å²	65.6	22%	0.22	34%	0.34	C	S	.	.			trans	-74.7	103	167.9	-171.6	62.1	0	0	0	108.5	L1018 F1027 W1029 Y1037 E1038 W1066	L1018-L1035 HydrophobicContact CD1-CD1 3.94Å; L1018-L1035 HydrophobicContact CD1-CD2 4.39Å; L1018-L1035 HydrophobicContact CD2-CD1 4.1Å; F1027-L1035 HydrophobicContact CB-CD2 4.16Å; W1029-L1035 HydrophobicContact CZ2-CD1 4.01Å; L1035-Y1037 VanDerWaalsContact CD1-O 3.26Å; L1035-Y1037 WeakPolarHBondContact CD1-O 3.46Å; L1035-E1038 HydrophobicContact CD1-CG 4.09Å; L1035-E1038 HydrophobicContact CD2-CG 4.05Å; L1035-E1038 HydrophobicContact CG-CG 3.99Å; L1035-W1066 HydrophobicContact CD1-CZ3 4.17Å
1036	L	83.4	Confident	84.7	Confident	138 Å²	138	62.8 Å²	62.8	72%	0.723	33%	0.325	S	S	*	.			trans	-117.4	-8.9	-179	-62.6	178.4	0	0	0	113.2	P1034	P1034-L1036 HydrophobicContact CB-CD2 4.19Å; P1034-L1036 HydrophobicContact CB-CG 4.04Å; P1034-L1036 HydrophobicContact CG-CD1 3.8Å; P1034-L1036 HydrophobicContact CG-CD2 4.29Å; P1034-L1036 HydrophobicContact CG-CG 3.83Å; P1034-L1036 PolarHBondContact O-N 3.33Å
1037	Y	90.8	Very high	83.9	Confident	41 Å²	41	61.2 Å²	61.2	16%	0.161	32%	0.319	C	S	.	.			trans	-141.6	141.1	179.3	168.5	-103.7	0	0	0	107.6	I997 M998 P1000 Q1003 L1035 N1039 W1066	I997-Y1037 HydrophobicContact CG2-CD1 3.87Å; I997-Y1037 HydrophobicContact CG2-CE1 3.84Å; M998-Y1037 WeakPolarHBondContact O-CB 3.43Å; P1000-Y1037 HydrophobicContact CB-CE2 4.26Å; P1000-Y1037 HydrophobicContact CG-CD2 4.15Å; P1000-Y1037 HydrophobicContact CG-CE2 3.75Å; Q1003-Y1037 HydrophobicContact CB-CE1 3.85Å; Q1003-Y1037 HydrophobicContact CG-CE1 4.29Å; L1035-Y1037 VanDerWaalsContact CD1-O 3.26Å; L1035-Y1037 WeakPolarHBondContact CD1-O 3.46Å; Y1037-N1039 HydrophobicContact CE1-CB 3.98Å; Y1037-N1039 WeakPolarHBondContact OH-CB 3.31Å; Y1037-W1066 HydrophobicContact CD1-CH2 4Å; Y1037-W1066 HydrophobicContact CD1-CZ2 4.05Å; Y1037-W1066 HydrophobicContact CE1-CH2 4.25Å; Y1037-W1066 AromaticContact CE1-CZ2 3.9Å; Y1037-W1066 HydrophobicContact CE1-CZ2 3.9Å; Y1037-W1066 VanDerWaalsContact O-CH2 3.31Å; Y1037-W1066 WeakPolarHBondContact O-CH2 3.42Å
1038	E	91.9	Very high	82.2	Confident	113 Å²	113	68.6 Å²	68.6	53%	0.528	35%	0.347	S	S	.	.			trans	-136	140.4	-177.5	-72.5	175.1	-128.8	0	0	110.2	L1035 W1040 W1066	L1035-E1038 HydrophobicContact CD1-CG 4.09Å; L1035-E1038 HydrophobicContact CD2-CG 4.05Å; L1035-E1038 HydrophobicContact CG-CG 3.99Å; E1038-W1040 PolarHBondContact OE2-NE1 3.33Å; E1038-W1066 HydrophobicContact CB-CZ3 4.35Å; E1038-W1066 HydrophobicContact CG-CZ3 4.44Å
1039	N	94.4	Very high	80.5	Confident	30 Å²	30	68.4 Å²	68.4	16%	0.16	35%	0.35	C	S	.	.			trans	-135.3	37.8	179.6	-161.7	35.9	0	0	0	111.8	Q1003 Y1037 N1063 G1064 R1065 W1066	Q1003-N1039 VanDerWaalsContact CD-ND2 3.28Å; Q1003-N1039 VanDerWaalsContact CG-ND2 3.34Å; Q1003-N1039 WeakPolarHBondContact CG-ND2 3.21Å; Q1003-N1039 PolarHBondContact OE1-ND2 3.32Å; Y1037-N1039 HydrophobicContact CE1-CB 3.98Å; Y1037-N1039 WeakPolarHBondContact OH-CB 3.31Å; N1039-N1063 PolarHBondContact ND2-O 3.08Å; N1039-G1064 PolarHBondContact ND2-O 2.93Å; N1039-G1064 VanDerWaalsContact ND2-O 3.07Å; N1039-R1065 CarbonylContact O-C 3.56Å; N1039-R1065 WeakPolarHBondContact O-CA 3.24Å; N1039-R1065 VanDerWaalsContact O-CB 3.25Å; N1039-R1065 WeakPolarHBondContact O-CB 3.48Å; N1039-R1065 VanDerWaalsContact O-CG 3.25Å; N1039-R1065 WeakPolarHBondContact O-CG 3.21Å; N1039-R1065 WeakPolarHBondContact OD1-CG 3.39Å; N1039-W1066 HydrophobicContact CB-CD2 4.01Å; N1039-W1066 HydrophobicContact CB-CG 4.34Å; N1039-W1066 HydrophobicContact CB-CH2 4.46Å; N1039-W1066 HydrophobicContact CB-CZ2 3.83Å; N1039-W1066 PolarHBondContact O-N 3.08Å
1040	W	94.1	Very high	78.3	Confident	37 Å²	37	73.9 Å²	73.9	14%	0.14	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-57.2	144.6	-177.4	-63.4	113.5	0	0	0	114	L1018 F1027 E1038 Q1044 P1045 V1056 R1065 W1066	L1018-W1040 HydrophobicContact CD2-CH2 3.97Å; L1018-W1040 HydrophobicContact CD2-CZ2 3.78Å; F1027-W1040 HydrophobicContact CB-CZ2 4.41Å; F1027-W1040 AromaticContact CD1-CH2 3.75Å; F1027-W1040 HydrophobicContact CD1-CH2 3.75Å; F1027-W1040 HydrophobicContact CD1-CZ2 4.1Å; F1027-W1040 HydrophobicContact CD2-CH2 4.21Å; F1027-W1040 AromaticContact CD2-CZ2 3.98Å; F1027-W1040 HydrophobicContact CD2-CZ2 3.98Å; F1027-W1040 AromaticContact CE1-CH2 3.72Å; F1027-W1040 HydrophobicContact CE1-CH2 3.72Å; F1027-W1040 HydrophobicContact CE1-CZ2 4.41Å; F1027-W1040 HydrophobicContact CE2-CH2 4.2Å; F1027-W1040 HydrophobicContact CE2-CZ2 4.3Å; F1027-W1040 HydrophobicContact CG-CH2 4Å; F1027-W1040 AromaticContact CG-CZ2 3.87Å; F1027-W1040 HydrophobicContact CG-CZ2 3.87Å; F1027-W1040 AromaticContact CZ-CH2 3.96Å; F1027-W1040 HydrophobicContact CZ-CH2 3.96Å; E1038-W1040 PolarHBondContact OE2-NE1 3.33Å; W1040-Q1044 WeakPolarHBondContact CB-O 3.44Å; W1040-P1045 HydrophobicContact CH2-CB 4.25Å; W1040-P1045 HydrophobicContact CH2-CG 4.4Å; W1040-P1045 HydrophobicContact CZ2-CG 4.34Å; W1040-P1045 HydrophobicContact CZ3-CB 4.2Å; W1040-V1056 HydrophobicContact CH2-CG1 4.38Å; W1040-V1056 HydrophobicContact CH2-CG2 3.62Å; W1040-V1056 HydrophobicContact CZ3-CG1 4.05Å; W1040-V1056 HydrophobicContact CZ3-CG2 3.9Å; W1040-R1065 WeakPolarHBondContact O-CD 3.47Å; W1040-W1066 HydrophobicContact CD2-CB 4.34Å; W1040-W1066 HydrophobicContact CD2-CE3 4.29Å; W1040-W1066 HydrophobicContact CE3-CB 3.74Å; W1040-W1066 HydrophobicContact CZ3-CB 4.14Å
1041	Y	90.3	Very high	76.7	Confident	94 Å²	94	76.2 Å²	76.2	37%	0.369	40%	0.396	S	S	.	.			trans	-64.6	160.1	169.3	-163.8	-97.5	0	0	0	110.8	G1043 Q1044 D1062 R1065 W1066	Y1041-G1043 PolarHBondContact O-N 2.91Å; Y1041-Q1044 PolarHBondContact O-N 3.06Å; Y1041-Q1044 VanDerWaalsContact O-N 3.14Å; Y1041-D1062 HydrophobicContact CD2-CB 4.23Å; Y1041-D1062 HydrophobicContact CE2-CB 3.84Å; Y1041-D1062 WeakPolarHBondContact CE2-OD2 3.44Å; Y1041-R1065 HydrophobicContact CD2-CB 4.22Å; Y1041-W1066 VanDerWaalsContact CB-O 3.27Å; Y1041-W1066 WeakPolarHBondContact CB-O 3.17Å; Y1041-W1066 PolarHBondContact N-O 3.48Å
1042	R	85.8	Confident	75.7	Confident	221 Å²	221	76.3 Å²	76.3	83%	0.834	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	110.4	-175.3	-176.1	-175	179.6	-177.8	-0.2	110.5
1043	G	80.4	Confident	75.6	Confident	62 Å²	62	74.4 Å²	74.4	64%	0.639	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.6	-4.2	178.1	0	0	0	0	0	113.8	Y1041	Y1041-G1043 PolarHBondContact O-N 2.91Å
1044	Q	84	Confident	76.1	Confident	34 Å²	34	75.5 Å²	75.5	16%	0.159	39%	0.389	C	S	.	.			trans	-108	158.6	-179.2	-71.1	-153.5	-47.1	0	0	112.4	W1040 Y1041 D1046 S1067 D1068	W1040-Q1044 WeakPolarHBondContact CB-O 3.44Å; Y1041-Q1044 PolarHBondContact O-N 3.06Å; Y1041-Q1044 VanDerWaalsContact O-N 3.14Å; Q1044-D1046 HydrophobicContact CG-CB 4.19Å; Q1044-D1046 VanDerWaalsContact NE2-CG 3.31Å; Q1044-D1046 PolarHBondContact NE2-OD1 2.67Å; Q1044-D1046 PolarHBondContact NE2-OD2 3.28Å; Q1044-S1067 PolarHBondContact OE1-OG 2.9Å; Q1044-D1068 PolarHBondContact NE2-OD1 3.16Å; Q1044-D1068 PolarHBondContact OE1-OD1 2.8Å
1045	P	83.2	Confident	76.9	Confident	47 Å²	47	72.2 Å²	72.2	31%	0.305	37%	0.367	S	S	.	.	S	Bend	cis	-63.2	145	-0.8	29.4	-35.4	0	0	0	112.7	F1027 W1040 D1068	F1027-P1045 HydrophobicContact CD2-CG 4.4Å; F1027-P1045 HydrophobicContact CE2-CB 3.75Å; F1027-P1045 HydrophobicContact CE2-CG 3.64Å; F1027-P1045 HydrophobicContact CZ-CB 3.74Å; F1027-P1045 HydrophobicContact CZ-CG 4.16Å; W1040-P1045 HydrophobicContact CH2-CB 4.25Å; W1040-P1045 HydrophobicContact CH2-CG 4.4Å; W1040-P1045 HydrophobicContact CZ2-CG 4.34Å; W1040-P1045 HydrophobicContact CZ3-CB 4.2Å; P1045-D1068 VanDerWaalsContact CA-OD1 3.27Å; P1045-D1068 WeakPolarHBondContact CA-OD1 3.45Å; P1045-D1068 HydrophobicContact CB-CB 4.32Å
1046	D	73.7	Confident	77.5	Confident	75 Å²	75	70.2 Å²	70.2	40%	0.401	36%	0.357	S	S	.	.			trans	-134.6	-7.3	-177.9	70.9	11	0	0	0	116	Q1044 Y1048 D1068	Q1044-D1046 HydrophobicContact CG-CB 4.19Å; Q1044-D1046 VanDerWaalsContact NE2-CG 3.31Å; Q1044-D1046 PolarHBondContact NE2-OD1 2.67Å; Q1044-D1046 PolarHBondContact NE2-OD2 3.28Å; D1046-Y1048 PolarHBondContact O-N 2.92Å; D1046-Y1048 PolarHBondContact OD1-N 2.66Å; D1046-D1068 PolarHBondContact N-OD1 3.04Å; D1046-D1068 PolarHBondContact N-OD2 2.79Å
1047	S	66.2	Low	78	Confident	24 Å²	24	64.1 Å²	64.1	17%	0.168	33%	0.325	C	S	.	.			trans	43.9	50.9	-179.9	-73.2	0	0	0	0	112.2	F1049 L1050 D1068	S1047-F1049 PolarHBondContact O-N 3.17Å; S1047-L1050 WeakPolarHBondContact O-CA 3.34Å; S1047-L1050 PolarHBondContact O-N 3.14Å; S1047-D1068 PolarHBondContact N-OD2 2.04Å
1048	Y	53.8	Low	78.3	Confident	168 Å²	168	62.2 Å²	62.2	66%	0.659	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	-34	-172.8	-166.7	-97.4	0	0	0	114.9	D1046 E1053	D1046-Y1048 PolarHBondContact O-N 2.92Å; D1046-Y1048 PolarHBondContact OD1-N 2.66Å; Y1048-E1053 WeakPolarHBondContact CA-OE2 3.49Å; Y1048-E1053 WeakPolarHBondContact CB-OE2 3Å; Y1048-E1053 PolarHBondContact N-OE2 2.82Å
1049	F	49.9	Very low	78.4	Confident	116 Å²	116	57.8 Å²	57.8	51%	0.509	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.3	178	-64.7	-66.1	0	0	0	115.8	S1047 E1053 P1070	S1047-F1049 PolarHBondContact O-N 3.17Å; F1049-E1053 VanDerWaalsContact CD2-CD 3.43Å; F1049-E1053 HydrophobicContact CD2-CG 3.87Å; F1049-E1053 WeakPolarHBondContact CD2-OE1 3.34Å; F1049-E1053 VanDerWaalsContact CE2-OE1 3.26Å; F1049-E1053 WeakPolarHBondContact CE2-OE1 3.4Å; F1049-E1053 PolarHBondContact N-OE2 3.01Å; F1049-P1070 HydrophobicContact CD2-CG 4.08Å; F1049-P1070 HydrophobicContact CE2-CG 4.26Å
1050	L	45.2	Very low	78.2	Confident	122 Å²	122	61 Å²	61	64%	0.639	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	68.6	-178.1	-59.2	163.9	0	0	0	112.4	S1047	S1047-L1050 WeakPolarHBondContact O-CA 3.34Å; S1047-L1050 PolarHBondContact O-N 3.14Å
1051	S	53	Low	77.9	Confident	67 Å²	67	63.8 Å²	63.8	47%	0.469	32%	0.323	S	S	.	.	S	Bend	trans	74.6	142.9	-167.8	71	0	0	0	0	114.9
1052	G	58.7	Low	77.7	Confident	36 Å²	36	61.5 Å²	61.5	37%	0.371	32%	0.317	S	S	.	.			trans	107.6	15.8	-179.9	0	0	0	0	0	116.5	D1054 P1070	G1052-D1054 WeakPolarHBondContact CA-OD1 3.46Å; G1052-P1070 WeakPolarHBondContact O-CA 3.43Å
1053	E	73.1	Confident	77.8	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.037	31%	0.307	C	S	.	.			trans	-106.7	28.6	176.4	-71.9	-159.8	120.1	0	0	113.9	Y1048 F1049 C1055 D1068 V1069 P1070	Y1048-E1053 WeakPolarHBondContact CA-OE2 3.49Å; Y1048-E1053 WeakPolarHBondContact CB-OE2 3Å; Y1048-E1053 PolarHBondContact N-OE2 2.82Å; F1049-E1053 VanDerWaalsContact CD2-CD 3.43Å; F1049-E1053 HydrophobicContact CD2-CG 3.87Å; F1049-E1053 WeakPolarHBondContact CD2-OE1 3.34Å; F1049-E1053 VanDerWaalsContact CE2-OE1 3.26Å; F1049-E1053 WeakPolarHBondContact CE2-OE1 3.4Å; F1049-E1053 PolarHBondContact N-OE2 3.01Å; E1053-C1055 PolarHBondContact O-N 2.79Å; E1053-D1068 HydrophobicContact CB-CB 4.35Å; E1053-D1068 WeakPolarHBondContact O-CB 3.42Å; E1053-V1069 CarbonylContact C-O 3.45Å; E1053-V1069 VanDerWaalsContact C-O 3.29Å; E1053-V1069 PolarHBondContact O-N 3.39Å; E1053-V1069 VanDerWaalsContact O-N 3.1Å; E1053-V1069 VanDerWaalsContact O-O 3.11Å; E1053-P1070 HydrophobicContact CG-CG 3.93Å; E1053-P1070 VanDerWaalsContact OE1-CD 3.32Å; E1053-P1070 WeakPolarHBondContact OE1-CD 3.21Å
1054	D	85.3	Confident	78.4	Confident	42 Å²	42	53.7 Å²	53.7	23%	0.225	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-60.1	4.1	-164.1	-16.3	-19.9	0	0	0	117.1	N1019 D1020 K1021 G1052	N1019-D1054 WeakPolarHBondContact CA-O 3.26Å; N1019-D1054 VanDerWaalsContact CB-O 3.23Å; N1019-D1054 WeakPolarHBondContact CB-O 3.03Å; D1020-D1054 PolarHBondContact N-O 2.69Å; D1020-D1054 VanDerWaalsContact OD1-CA 3.23Å; D1020-D1054 WeakPolarHBondContact OD1-CA 3.27Å; K1021-D1054 HydrophobicContact CB-CB 4.31Å; K1021-D1054 HydrophobicContact CD-CB 4.44Å; K1021-D1054 HydrophobicContact CG-CB 3.37Å; G1052-D1054 WeakPolarHBondContact CA-OD1 3.46Å
1055	C	93.3	Very high	78.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.6	-169.8	-73.8	0	0	0	0	112.3	W980 W1015 E1053 V1069 C1071	W980-C1055 HydrophobicContact CB-CB 4.12Å; W980-C1055 VanDerWaalsContact CB-SG 3.55Å; W980-C1055 VanDerWaalsContact CD2-SG 3.52Å; W980-C1055 HydrophobicContact CG-CB 3.89Å; W1015-C1055 HydrophobicContact CE3-CB 4.28Å; W1015-C1055 HydrophobicContact CH2-CB 3.88Å; W1015-C1055 HydrophobicContact CZ3-CB 3.58Å; W1015-C1055 WeakPolarHBondContact CZ3-O 3.37Å; E1053-C1055 PolarHBondContact O-N 2.79Å; C1055-V1069 PolarHBondContact N-O 2.03Å; C1055-V1069 WeakPolarHBondContact O-CG2 3.49Å; C1055-V1069 PolarHBondContact O-N 3.23Å; C1055-C1071 HydrophobicContact CB-CB 3.86Å; C1055-C1071 WeakPolarHBondContact CB-SG 3.26Å; C1055-C1071 VanDerWaalsContact SG-CA 3.59Å; C1055-C1071 WeakPolarHBondContact SG-CB 3.23Å; C1055-C1071 CovalentContact SG-SG 2.03Å; C1055-C1071 PolarHBondContact SG-SG 2.89Å
1056	V	96.3	Very high	79.5	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.6	-169.4	-179.8	0	0	0	0	113.6	T1016 L1018 F1027 W1040 W1066 S1067	T1016-V1056 PolarHBondContact N-O 3.07Å; T1016-V1056 PolarHBondContact OG1-O 3.18Å; L1018-V1056 HydrophobicContact CB-CB 3.88Å; L1018-V1056 HydrophobicContact CB-CG1 4.37Å; L1018-V1056 HydrophobicContact CB-CG2 3.86Å; L1018-V1056 HydrophobicContact CD2-CG1 4.5Å; L1018-V1056 HydrophobicContact CD2-CG2 4.16Å; L1018-V1056 HydrophobicContact CG-CB 4.47Å; L1018-V1056 HydrophobicContact CG-CG2 3.94Å; L1018-V1056 WeakPolarHBondContact O-CB 3.15Å; L1018-V1056 WeakPolarHBondContact O-CG2 3.19Å; L1018-V1056 PolarHBondContact O-N 2.86Å; F1027-V1056 HydrophobicContact CD1-CG2 3.96Å; F1027-V1056 HydrophobicContact CE1-CG2 3.87Å; W1040-V1056 HydrophobicContact CH2-CG1 4.38Å; W1040-V1056 HydrophobicContact CH2-CG2 3.62Å; W1040-V1056 HydrophobicContact CZ3-CG1 4.05Å; W1040-V1056 HydrophobicContact CZ3-CG2 3.9Å; V1056-W1066 HydrophobicContact CG1-CB 3.65Å; V1056-W1066 HydrophobicContact CG1-CG 4.09Å; V1056-S1067 CarbonylContact C-O 3.54Å; V1056-S1067 WeakPolarHBondContact CA-O 3.27Å
1057	V	95.8	Very high	80.4	Confident	10 Å²	10	51.3 Å²	51.3	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.1	170.5	64.1	0	0	0	0	112.1	Q1014 W1015 W1066 S1067 V1069 L1075	Q1014-V1057 WeakPolarHBondContact O-CA 3.21Å; W1015-V1057 HydrophobicContact CE3-CB 4.45Å; W1015-V1057 HydrophobicContact CZ3-CB 4.46Å; V1057-W1066 WeakPolarHBondContact O-CA 3.21Å; V1057-S1067 WeakPolarHBondContact CG1-O 3.01Å; V1057-S1067 PolarHBondContact N-O 3.35Å; V1057-S1067 PolarHBondContact O-N 3.04Å; V1057-V1069 HydrophobicContact CB-CG2 3.84Å; V1057-V1069 HydrophobicContact CG1-CB 4.37Å; V1057-V1069 HydrophobicContact CG1-CG1 3.8Å; V1057-V1069 HydrophobicContact CG1-CG2 3.58Å; V1057-L1075 HydrophobicContact CB-CD1 3.85Å; V1057-L1075 HydrophobicContact CG2-CD1 3.53Å
1058	M	96	Very high	81.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.6	167.2	179.3	-178.4	-59.6	0	0	111.5	I997 Q1003 I1006 N1007 Q1014 T1016 W1060 G1064	I997-M1058 HydrophobicContact CD1-CE 3.28Å; Q1003-M1058 VanDerWaalsContact NE2-CE 3.26Å; Q1003-M1058 PolarHBondContact NE2-SD 2.02Å; I1006-M1058 HydrophobicContact CB-CE 4.25Å; I1006-M1058 HydrophobicContact CG2-CE 3.64Å; I1006-M1058 HydrophobicContact CG2-SD 3.84Å; N1007-M1058 HydrophobicContact CB-SD 4.21Å; Q1014-M1058 HydrophobicContact CG-CB 3.9Å; Q1014-M1058 HydrophobicContact CG-SD 4.45Å; Q1014-M1058 PolarHBondContact O-N 3.48Å; T1016-M1058 HydrophobicContact CG2-CB 3.94Å; T1016-M1058 HydrophobicContact CG2-CE 4.32Å; M1058-W1060 PolarHBondContact O-N 3.47Å; M1058-G1064 WeakPolarHBondContact CG-O 3.47Å
1059	V	93.4	Very high	83.2	Confident	21 Å²	21	43 Å²	43	13%	0.127	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	89.1	179.3	-173.5	0	0	0	0	109.9	Y1013 H1061 D1062 G1064 R1065	Y1013-V1059 HydrophobicContact CE1-CG1 3.95Å; V1059-H1061 VanDerWaalsContact C-N 3.33Å; V1059-H1061 PolarHBondContact O-N 2.82Å; V1059-H1061 VanDerWaalsContact O-N 3.14Å; V1059-D1062 HydrophobicContact CG1-CB 4.1Å; V1059-D1062 PolarHBondContact O-N 3.23Å; V1059-D1062 VanDerWaalsContact O-N 3.17Å; V1059-G1064 VanDerWaalsContact O-CA 3.32Å; V1059-G1064 WeakPolarHBondContact O-CA 3.44Å; V1059-G1064 PolarHBondContact O-N 3.36Å; V1059-R1065 WeakPolarHBondContact CA-O 3.19Å; V1059-R1065 VanDerWaalsContact CB-O 3.28Å; V1059-R1065 WeakPolarHBondContact CB-O 3.33Å; V1059-R1065 WeakPolarHBondContact CG2-O 3.28Å; V1059-R1065 PolarHBondContact N-O 2.97Å
1060	W	90.1	Very high	84.9	Confident	98 Å²	98	38.1 Å²	38.1	37%	0.371	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.8	-164.8	73.4	-88.3	0	0	0	115.7	N1007 K1011 Y1013 M1058 D1062 G1064	N1007-W1060 PolarHBondContact ND2-O 2.92Å; N1007-W1060 WeakPolarHBondContact OD1-CA 3.36Å; N1007-W1060 WeakPolarHBondContact OD1-CB 3.3Å; N1007-W1060 PolarHBondContact OD1-O 2.89Å; K1011-W1060 HydrophobicContact CB-CD2 4.22Å; K1011-W1060 HydrophobicContact CB-CE3 3.87Å; K1011-W1060 HydrophobicContact CB-CZ3 4.31Å; K1011-W1060 HydrophobicContact CG-CE3 4.36Å; Y1013-W1060 AromaticContact CD1-CD1 3.65Å; Y1013-W1060 AromaticContact CE1-CD1 3.66Å; Y1013-W1060 AromaticContact CE1-NE1 3.98Å; M1058-W1060 PolarHBondContact O-N 3.47Å; W1060-D1062 PolarHBondContact O-N 3.04Å; W1060-G1064 PolarHBondContact O-N 3.08Å
1061	H	88.3	Confident	86.9	Confident	94 Å²	94	32.9 Å²	32.9	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.1	-173.8	68.2	-72.1	0	0	0	113.9	Y1013 V1059 N1063	Y1013-H1061 AromaticContact CE1-CE1 3.95Å; Y1013-H1061 AromaticContact CE1-ND1 3.7Å; Y1013-H1061 AromaticContact CZ-CE1 3.97Å; Y1013-H1061 PolarHBondContact OH-CE1 3.08Å; Y1013-H1061 PolarHBondContact OH-ND1 3.27Å; V1059-H1061 VanDerWaalsContact C-N 3.33Å; V1059-H1061 PolarHBondContact O-N 2.82Å; V1059-H1061 VanDerWaalsContact O-N 3.14Å; H1061-N1063 VanDerWaalsContact C-N 3.33Å; H1061-N1063 PolarHBondContact O-N 2.8Å
1062	D	86.9	Confident	88.4	Confident	46 Å²	46	35 Å²	35	25%	0.246	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	47.1	176.3	-78.8	-57.2	0	0	0	111.4	Y1041 V1059 W1060 G1064 R1065	Y1041-D1062 HydrophobicContact CD2-CB 4.23Å; Y1041-D1062 HydrophobicContact CE2-CB 3.84Å; Y1041-D1062 WeakPolarHBondContact CE2-OD2 3.44Å; V1059-D1062 HydrophobicContact CG1-CB 4.1Å; V1059-D1062 PolarHBondContact O-N 3.23Å; V1059-D1062 VanDerWaalsContact O-N 3.17Å; W1060-D1062 PolarHBondContact O-N 3.04Å; D1062-G1064 PolarHBondContact O-N 2.84Å; D1062-R1065 WeakPolarHBondContact O-CB 3.43Å; D1062-R1065 WeakPolarHBondContact O-CG 3.29Å; D1062-R1065 PolarHBondContact O-N 2.78Å
1063	N	87.5	Confident	89.7	Confident	119 Å²	119	37.8 Å²	37.8	64%	0.636	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	33.7	-173.4	-59.1	-13.4	0	0	0	113.7	N1007 N1039 H1061 R1065	N1007-N1063 VanDerWaalsContact ND2-C 3.35Å; N1039-N1063 PolarHBondContact ND2-O 3.08Å; H1061-N1063 VanDerWaalsContact C-N 3.33Å; H1061-N1063 PolarHBondContact O-N 2.8Å; N1063-R1065 VanDerWaalsContact C-N 3.26Å; N1063-R1065 PolarHBondContact O-N 2.93Å
1064	G	92	Very high	90.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	27.4	178.6	0	0	0	0	0	113.2	Q1003 N1007 N1039 M1058 V1059 W1060 D1062	Q1003-G1064 PolarHBondContact NE2-O 3Å; Q1003-G1064 PolarHBondContact OE1-O 3.21Å; Q1003-G1064 VanDerWaalsContact OE1-O 3.14Å; N1007-G1064 PolarHBondContact ND2-N 3.5Å; N1007-G1064 VanDerWaalsContact ND2-N 3.15Å; N1039-G1064 PolarHBondContact ND2-O 2.93Å; N1039-G1064 VanDerWaalsContact ND2-O 3.07Å; M1058-G1064 WeakPolarHBondContact CG-O 3.47Å; V1059-G1064 VanDerWaalsContact O-CA 3.32Å; V1059-G1064 WeakPolarHBondContact O-CA 3.44Å; V1059-G1064 PolarHBondContact O-N 3.36Å; W1060-G1064 PolarHBondContact O-N 3.08Å; D1062-G1064 PolarHBondContact O-N 2.84Å
1065	R	94.7	Very high	90.9	Very high	89 Å²	89	41.8 Å²	41.8	34%	0.336	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	155.2	178.5	-77.8	-161.2	-80.3	-173.6	-4.5	113.1	N1039 W1040 Y1041 V1059 D1062 N1063	N1039-R1065 CarbonylContact O-C 3.56Å; N1039-R1065 WeakPolarHBondContact O-CA 3.24Å; N1039-R1065 VanDerWaalsContact O-CB 3.25Å; N1039-R1065 WeakPolarHBondContact O-CB 3.48Å; N1039-R1065 VanDerWaalsContact O-CG 3.25Å; N1039-R1065 WeakPolarHBondContact O-CG 3.21Å; N1039-R1065 WeakPolarHBondContact OD1-CG 3.39Å; W1040-R1065 WeakPolarHBondContact O-CD 3.47Å; Y1041-R1065 HydrophobicContact CD2-CB 4.22Å; V1059-R1065 WeakPolarHBondContact CA-O 3.19Å; V1059-R1065 VanDerWaalsContact CB-O 3.28Å; V1059-R1065 WeakPolarHBondContact CB-O 3.33Å; V1059-R1065 WeakPolarHBondContact CG2-O 3.28Å; V1059-R1065 PolarHBondContact N-O 2.97Å; D1062-R1065 WeakPolarHBondContact O-CB 3.43Å; D1062-R1065 WeakPolarHBondContact O-CG 3.29Å; D1062-R1065 PolarHBondContact O-N 2.78Å; N1063-R1065 VanDerWaalsContact C-N 3.26Å; N1063-R1065 PolarHBondContact O-N 2.93Å
1066	W	96.3	Very high	91.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	146.6	-166.8	-56.8	-12.2	0	0	0	112.3	I997 L1018 W1029 L1035 Y1037 E1038 N1039 W1040 Y1041 V1056 V1057	I997-W1066 HydrophobicContact CB-CH2 4.4Å; I997-W1066 HydrophobicContact CB-CZ2 3.84Å; I997-W1066 HydrophobicContact CD1-CZ2 3.87Å; I997-W1066 HydrophobicContact CG1-CZ2 4.37Å; I997-W1066 HydrophobicContact CG2-CZ2 4.05Å; L1018-W1066 HydrophobicContact CD2-CE3 3.6Å; L1018-W1066 HydrophobicContact CD2-CZ3 3.59Å; W1029-W1066 AromaticContact CH2-CH2 3.93Å; W1029-W1066 HydrophobicContact CH2-CH2 3.93Å; W1029-W1066 HydrophobicContact CH2-CZ2 4.12Å; W1029-W1066 HydrophobicContact CH2-CZ3 4.37Å; W1029-W1066 AromaticContact CZ2-CH2 3.7Å; W1029-W1066 HydrophobicContact CZ2-CH2 3.7Å; W1029-W1066 HydrophobicContact CZ2-CZ2 4.29Å; W1029-W1066 HydrophobicContact CZ2-CZ3 4.16Å; L1035-W1066 HydrophobicContact CD1-CZ3 4.17Å; Y1037-W1066 HydrophobicContact CD1-CH2 4Å; Y1037-W1066 HydrophobicContact CD1-CZ2 4.05Å; Y1037-W1066 HydrophobicContact CE1-CH2 4.25Å; Y1037-W1066 AromaticContact CE1-CZ2 3.9Å; Y1037-W1066 HydrophobicContact CE1-CZ2 3.9Å; Y1037-W1066 VanDerWaalsContact O-CH2 3.31Å; Y1037-W1066 WeakPolarHBondContact O-CH2 3.42Å; E1038-W1066 HydrophobicContact CB-CZ3 4.35Å; E1038-W1066 HydrophobicContact CG-CZ3 4.44Å; N1039-W1066 HydrophobicContact CB-CD2 4.01Å; N1039-W1066 HydrophobicContact CB-CG 4.34Å; N1039-W1066 HydrophobicContact CB-CH2 4.46Å; N1039-W1066 HydrophobicContact CB-CZ2 3.83Å; N1039-W1066 PolarHBondContact O-N 3.08Å; W1040-W1066 HydrophobicContact CD2-CB 4.34Å; W1040-W1066 HydrophobicContact CD2-CE3 4.29Å; W1040-W1066 HydrophobicContact CE3-CB 3.74Å; W1040-W1066 HydrophobicContact CZ3-CB 4.14Å; Y1041-W1066 VanDerWaalsContact CB-O 3.27Å; Y1041-W1066 WeakPolarHBondContact CB-O 3.17Å; Y1041-W1066 PolarHBondContact N-O 3.48Å; V1056-W1066 HydrophobicContact CG1-CB 3.65Å; V1056-W1066 HydrophobicContact CG1-CG 4.09Å; V1057-W1066 WeakPolarHBondContact O-CA 3.21Å
1067	S	93.1	Very high	91.2	Very high	18 Å²	18	41.9 Å²	41.9	13%	0.126	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.7	178	172	0	0	0	0	108.4	Q1044 V1056 V1057	Q1044-S1067 PolarHBondContact OE1-OG 2.9Å; V1056-S1067 CarbonylContact C-O 3.54Å; V1056-S1067 WeakPolarHBondContact CA-O 3.27Å; V1057-S1067 WeakPolarHBondContact CG1-O 3.01Å; V1057-S1067 PolarHBondContact N-O 3.35Å; V1057-S1067 PolarHBondContact O-N 3.04Å
1068	D	90.4	Very high	91.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.7	165.8	50.3	-38.2	0	0	0	109.4	Q1044 P1045 D1046 S1047 E1053	Q1044-D1068 PolarHBondContact NE2-OD1 3.16Å; Q1044-D1068 PolarHBondContact OE1-OD1 2.8Å; P1045-D1068 VanDerWaalsContact CA-OD1 3.27Å; P1045-D1068 WeakPolarHBondContact CA-OD1 3.45Å; P1045-D1068 HydrophobicContact CB-CB 4.32Å; D1046-D1068 PolarHBondContact N-OD1 3.04Å; D1046-D1068 PolarHBondContact N-OD2 2.79Å; S1047-D1068 PolarHBondContact N-OD2 2.04Å; E1053-D1068 HydrophobicContact CB-CB 4.35Å; E1053-D1068 WeakPolarHBondContact O-CB 3.42Å
1069	V	88.4	Confident	91.2	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	160.6	-177.1	-68.1	0	0	0	0	111.2	W1015 E1053 C1055 V1057 C1071 Y1073	W1015-V1069 HydrophobicContact CH2-CG2 3.66Å; W1015-V1069 HydrophobicContact CZ3-CG2 3.47Å; W1015-V1069 VanDerWaalsContact CZ3-CG2 3.47Å; E1053-V1069 CarbonylContact C-O 3.45Å; E1053-V1069 VanDerWaalsContact C-O 3.29Å; E1053-V1069 PolarHBondContact O-N 3.39Å; E1053-V1069 VanDerWaalsContact O-N 3.1Å; E1053-V1069 VanDerWaalsContact O-O 3.11Å; C1055-V1069 PolarHBondContact N-O 2.03Å; C1055-V1069 WeakPolarHBondContact O-CG2 3.49Å; C1055-V1069 PolarHBondContact O-N 3.23Å; V1057-V1069 HydrophobicContact CB-CG2 3.84Å; V1057-V1069 HydrophobicContact CG1-CB 4.37Å; V1057-V1069 HydrophobicContact CG1-CG1 3.8Å; V1057-V1069 HydrophobicContact CG1-CG2 3.58Å; V1069-C1071 PolarHBondContact O-N 2.99Å; V1069-Y1073 HydrophobicContact CB-CD2 4.03Å; V1069-Y1073 HydrophobicContact CB-CE2 4.11Å; V1069-Y1073 HydrophobicContact CG1-CE2 4.36Å; V1069-Y1073 HydrophobicContact CG2-CD2 4.26Å
1070	P	85.4	Confident	91.2	Very high	15 Å²	15	40.7 Å²	40.7	10%	0.097	19%	0.193	C	C	.	.			trans	-64.7	126.3	-174.3	-18	31.9	0	0	0	111.6	W1015 F1049 G1052 E1053 N1072 Y1073	W1015-P1070 WeakPolarHBondContact CH2-O 3.3Å; F1049-P1070 HydrophobicContact CD2-CG 4.08Å; F1049-P1070 HydrophobicContact CE2-CG 4.26Å; G1052-P1070 WeakPolarHBondContact O-CA 3.43Å; E1053-P1070 HydrophobicContact CG-CG 3.93Å; E1053-P1070 VanDerWaalsContact OE1-CD 3.32Å; E1053-P1070 WeakPolarHBondContact OE1-CD 3.21Å; P1070-N1072 PolarHBondContact O-N 2.82Å; P1070-Y1073 HydrophobicContact CB-CD1 4.18Å; P1070-Y1073 HydrophobicContact CB-CE1 4.13Å; P1070-Y1073 HydrophobicContact CG-CD1 4.24Å; P1070-Y1073 HydrophobicContact CG-CE1 3.74Å; P1070-Y1073 WeakPolarHBondContact O-CB 3.34Å; P1070-Y1073 PolarHBondContact O-N 2.97Å
1071	C	87.8	Confident	91	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.074	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-22.6	-177.4	-60.2	0	0	0	0	115	S979 W980 E981 C1055 V1069 Y1073	S979-C1071 WeakPolarHBondContact CB-O 3.23Å; W980-C1071 HydrophobicContact CB-CB 4.18Å; W980-C1071 PolarHBondContact N-O 2.95Å; E981-C1071 VanDerWaalsContact OE1-CB 3.26Å; E981-C1071 WeakPolarHBondContact OE1-CB 3.38Å; C1055-C1071 HydrophobicContact CB-CB 3.86Å; C1055-C1071 WeakPolarHBondContact CB-SG 3.26Å; C1055-C1071 VanDerWaalsContact SG-CA 3.59Å; C1055-C1071 WeakPolarHBondContact SG-CB 3.23Å; C1055-C1071 CovalentContact SG-SG 2.03Å; C1055-C1071 PolarHBondContact SG-SG 2.89Å; V1069-C1071 PolarHBondContact O-N 2.99Å; C1071-Y1073 VanDerWaalsContact C-N 3.27Å; C1071-Y1073 PolarHBondContact O-N 2.89Å
1072	N	83.3	Confident	90.5	Very high	112 Å²	112	33 Å²	33	60%	0.599	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.7	176.9	69.9	37	0	0	0	114.4	P1070 H1074	P1070-N1072 PolarHBondContact O-N 2.82Å; N1072-H1074 PolarHBondContact O-CE1 3.21Å; N1072-H1074 PolarHBondContact O-ND1 3.06Å
1073	Y	85.6	Confident	90.1	Very high	95 Å²	95	31.3 Å²	31.3	37%	0.373	16%	0.156	S	C	.	.	S	Bend	trans	-60.7	140	176.7	-81.4	12.9	0	0	0	111.4	Q978 S979 W1015 V1069 P1070 C1071 L1075	Q978-Y1073 VanDerWaalsContact O-O 3.09Å; S979-Y1073 WeakPolarHBondContact CA-O 3.14Å; W1015-Y1073 WeakPolarHBondContact CZ2-O 3.44Å; W1015-Y1073 PolarHBondContact NE1-O 2.82Å; V1069-Y1073 HydrophobicContact CB-CD2 4.03Å; V1069-Y1073 HydrophobicContact CB-CE2 4.11Å; V1069-Y1073 HydrophobicContact CG1-CE2 4.36Å; V1069-Y1073 HydrophobicContact CG2-CD2 4.26Å; P1070-Y1073 HydrophobicContact CB-CD1 4.18Å; P1070-Y1073 HydrophobicContact CB-CE1 4.13Å; P1070-Y1073 HydrophobicContact CG-CD1 4.24Å; P1070-Y1073 HydrophobicContact CG-CE1 3.74Å; P1070-Y1073 WeakPolarHBondContact O-CB 3.34Å; P1070-Y1073 PolarHBondContact O-N 2.97Å; C1071-Y1073 VanDerWaalsContact C-N 3.27Å; C1071-Y1073 PolarHBondContact O-N 2.89Å; Y1073-L1075 PolarHBondContact O-N 2.83Å
1074	H	90.7	Very high	89.3	Confident	114 Å²	114	26 Å²	26	53%	0.528	13%	0.128	S	C	.	.			trans	-97.7	98.3	-178.6	-76	51.3	0	0	0	110	R977 Q978 N1072	R977-H1074 HydrophobicContact CB-CB 4.16Å; R977-H1074 WeakPolarHBondContact CB-O 3.41Å; R977-H1074 WeakPolarHBondContact CD-O 3.36Å; Q978-H1074 WeakPolarHBondContact O-CA 3.47Å; N1072-H1074 PolarHBondContact O-CE1 3.21Å; N1072-H1074 PolarHBondContact O-ND1 3.06Å
1075	L	93.4	Very high	88.6	Confident	20 Å²	20	27.6 Å²	27.6	11%	0.105	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	160.1	-174.7	-59.8	177.1	0	0	0	111.5	R977 Q978 W1015 V1057 Y1073	R977-L1075 VanDerWaalsContact CA-O 3.28Å; R977-L1075 WeakPolarHBondContact CA-O 3.46Å; Q978-L1075 PolarHBondContact N-O 3.21Å; Q978-L1075 PolarHBondContact O-N 3.45Å; Q978-L1075 VanDerWaalsContact O-N 3.11Å; W1015-L1075 HydrophobicContact CD2-CB 4.3Å; W1015-L1075 HydrophobicContact CD2-CD1 3.94Å; W1015-L1075 HydrophobicContact CE3-CD1 4.03Å; W1015-L1075 HydrophobicContact CG-CB 4.28Å; W1015-L1075 HydrophobicContact CH2-CD1 4.09Å; W1015-L1075 HydrophobicContact CZ2-CD1 3.99Å; W1015-L1075 HydrophobicContact CZ2-CG 4.37Å; W1015-L1075 HydrophobicContact CZ3-CD1 4.09Å; V1057-L1075 HydrophobicContact CB-CD1 3.85Å; V1057-L1075 HydrophobicContact CG2-CD1 3.53Å; Y1073-L1075 PolarHBondContact O-N 2.83Å
1076	A	97.4	Very high	87.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	171.1	167.7	0	0	0	0	0	109.7	F974 E1012 Y1013 Q1014 W1015	F974-A1076 WeakPolarHBondContact O-CA 3.23Å; F974-A1076 WeakPolarHBondContact O-CB 3.38Å; E1012-A1076 HydrophobicContact CB-CB 4.39Å; Y1013-A1076 PolarHBondContact O-N 2.98Å; Q1014-A1076 CarbonylContact C-O 3.04Å; Q1014-A1076 WeakPolarHBondContact CA-O 3.06Å; Q1014-A1076 HydrophobicContact CB-CB 4.39Å; W1015-A1076 PolarHBondContact N-O 2.94Å
1077	Y	97.9	Very high	87.1	Confident	2 Å²	2	25 Å²	25	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	155.5	179	56.8	-83	0	0	0	112.4	H973 F974 Q976 Q978 A983 H986 L994	H973-Y1077 CarbonylContact C-O 3.54Å; H973-Y1077 PolarHBondContact ND1-O 3.15Å; F974-Y1077 HydrophobicContact CB-CD1 4.26Å; F974-Y1077 HydrophobicContact CB-CD2 4.14Å; F974-Y1077 HydrophobicContact CB-CE1 3.86Å; F974-Y1077 HydrophobicContact CB-CE2 3.74Å; F974-Y1077 HydrophobicContact CB-CG 4.37Å; F974-Y1077 AromaticContact CD2-CD2 3.97Å; F974-Y1077 HydrophobicContact CD2-CD2 3.97Å; F974-Y1077 AromaticContact CD2-CE2 3.51Å; F974-Y1077 HydrophobicContact CD2-CE2 3.51Å; F974-Y1077 HydrophobicContact CE2-CE2 4.29Å; F974-Y1077 HydrophobicContact CG-CD2 4.42Å; F974-Y1077 AromaticContact CG-CE2 3.79Å; F974-Y1077 HydrophobicContact CG-CE2 3.79Å; F974-Y1077 AromaticContact CG-CZ 3.91Å; F974-Y1077 PolarHBondContact N-O 2.98Å; F974-Y1077 PolarHBondContact O-N 3.01Å; F974-Y1077 VanDerWaalsContact O-N 3.07Å; Q976-Y1077 VanDerWaalsContact O-CE1 3.27Å; Q976-Y1077 WeakPolarHBondContact O-CE1 3.47Å; Q978-Y1077 HydrophobicContact CB-CD1 4.42Å; Q978-Y1077 HydrophobicContact CB-CE1 4.04Å; Q978-Y1077 HydrophobicContact CG-CE1 3.71Å; A983-Y1077 HydrophobicContact CB-CD1 3.67Å; A983-Y1077 HydrophobicContact CB-CD2 3.85Å; A983-Y1077 HydrophobicContact CB-CE1 4.13Å; A983-Y1077 HydrophobicContact CB-CE2 4.28Å; A983-Y1077 HydrophobicContact CB-CG 3.53Å; H986-Y1077 HydrophobicContact CB-CE2 4.42Å; H986-Y1077 AromaticContact ND1-CE2 3.64Å; H986-Y1077 AromaticContact ND1-CZ 3.64Å; H986-Y1077 PolarHBondContact ND1-OH 2.04Å; L994-Y1077 HydrophobicContact CD2-CD2 4.15Å; L994-Y1077 HydrophobicContact CD2-CG 4.28Å
1078	T	97.4	Very high	86.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.8	175.8	-62.1	0	0	0	0	109.2	R972 H973 V995 Y1010 Q1014	R972-T1078 WeakPolarHBondContact O-CA 3.26Å; H973-T1078 PolarHBondContact ND1-OG1 3Å; V995-T1078 HydrophobicContact CB-CG2 4.23Å; V995-T1078 WeakPolarHBondContact CB-O 3.42Å; V995-T1078 HydrophobicContact CG1-CG2 4.39Å; V995-T1078 PolarHBondContact N-O 3.38Å; Y1010-T1078 HydrophobicContact CD2-CG2 4.09Å; Y1010-T1078 HydrophobicContact CE2-CG2 3.81Å; Q1014-T1078 PolarHBondContact OE1-OG1 2.84Å
1079	C	95.4	Very high	86.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	144.5	173.3	-55.6	0	0	0	0	110.6	W963 Y971 R972 F974 C987 A992 H993	W963-C1079 HydrophobicContact CH2-CB 3.79Å; W963-C1079 HydrophobicContact CZ3-CB 3.96Å; Y971-C1079 CarbonylContact C-O 3.47Å; Y971-C1079 VanDerWaalsContact CA-O 3.3Å; Y971-C1079 WeakPolarHBondContact CA-O 3.46Å; R972-C1079 PolarHBondContact N-O 2.98Å; R972-C1079 PolarHBondContact O-N 3.03Å; F974-C1079 HydrophobicContact CE2-CB 4.39Å; F974-C1079 VanDerWaalsContact CE2-SG 3.6Å; C987-C1079 WeakPolarHBondContact CA-SG 3.44Å; C987-C1079 HydrophobicContact CB-CB 3.73Å; C987-C1079 WeakPolarHBondContact CB-SG 3.4Å; C987-C1079 VanDerWaalsContact SG-CA 3.53Å; C987-C1079 WeakPolarHBondContact SG-CB 3.16Å; C987-C1079 CovalentContact SG-SG 2.04Å; C987-C1079 PolarHBondContact SG-SG 2.83Å; A992-C1079 HydrophobicContact CB-CB 4.02Å; H993-C1079 CarbonylContact O-C 3.29Å; H993-C1079 WeakPolarHBondContact O-CA 3.3Å
1080	K	92.8	Very high	86.7	Confident	5 Å²	5	30.6 Å²	30.6	2%	0.022	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.2	175.4	-179.7	-177.7	178.5	178.3	0	110.6	F969 C970 Y971 A992 H993 V995 S996 E1002	F969-K1080 HydrophobicContact CB-CG 4.38Å; F969-K1080 HydrophobicContact CD1-CG 4.29Å; C970-K1080 WeakPolarHBondContact O-CA 3.5Å; Y971-K1080 HydrophobicContact CD1-CB 4.23Å; Y971-K1080 HydrophobicContact CD1-CG 4.18Å; Y971-K1080 HydrophobicContact CE1-CB 4.26Å; Y971-K1080 HydrophobicContact CE1-CD 3.83Å; Y971-K1080 HydrophobicContact CE1-CG 3.77Å; A992-K1080 WeakPolarHBondContact CA-O 3.49Å; A992-K1080 WeakPolarHBondContact CB-O 3.46Å; H993-K1080 PolarHBondContact N-O 3.1Å; H993-K1080 PolarHBondContact O-N 2.94Å; V995-K1080 HydrophobicContact CB-CB 4.26Å; V995-K1080 HydrophobicContact CG2-CB 4.15Å; V995-K1080 HydrophobicContact CG2-CD 4.22Å; S996-K1080 WeakPolarHBondContact O-CD 3.47Å; S996-K1080 PolarHBondContact O-NZ 3.19Å; S996-K1080 WeakPolarHBondContact OG-CD 3.45Å; S996-K1080 PolarHBondContact OG-NZ 2.79Å; S996-K1080 VanDerWaalsContact OG-NZ 3.1Å; E1002-K1080 VanDerWaalsContact CD-NZ 3.33Å; E1002-K1080 WeakPolarHBondContact OE1-CE 3.08Å; E1002-K1080 IonicContact OE1-NZ 2.74Å; E1002-K1080 PolarHBondContact OE1-NZ 2.9Å; E1002-K1080 IonicContact OE2-NZ 3.82Å; E1002-K1080 PolarHBondContact OE2-NZ 3.45Å
1081	K	85.7	Confident	86.8	Confident	17 Å²	17	40.1 Å²	40.1	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.9	166.9	59.9	-179.2	171.3	-178.9	0	112.2	E960 W963 F969 C970 Q990 G991 A992	E960-K1081 IonicContact OE1-NZ 3.53Å; E960-K1081 PolarHBondContact OE1-NZ 3.11Å; E960-K1081 VanDerWaalsContact OE1-NZ 3.12Å; E960-K1081 IonicContact OE2-NZ 2.7Å; E960-K1081 PolarHBondContact OE2-NZ 2.85Å; W963-K1081 HydrophobicContact CE3-CG 4.15Å; W963-K1081 HydrophobicContact CH2-CD 4.28Å; W963-K1081 HydrophobicContact CH2-CG 4.44Å; W963-K1081 HydrophobicContact CZ3-CD 4.24Å; W963-K1081 HydrophobicContact CZ3-CG 3.94Å; F969-K1081 CarbonylContact C-O 3.51Å; F969-K1081 WeakPolarHBondContact CA-O 3.31Å; C970-K1081 HydrophobicContact CB-CG 4.04Å; C970-K1081 PolarHBondContact N-O 2.86Å; C970-K1081 PolarHBondContact O-N 3.47Å; Q990-K1081 PolarHBondContact O-NZ 2.66Å; G991-K1081 WeakPolarHBondContact O-CB 3.01Å; G991-K1081 VanDerWaalsContact O-CD 3.23Å; G991-K1081 WeakPolarHBondContact O-CD 3.1Å; A992-K1081 HydrophobicContact CB-CB 3.87Å; A992-K1081 HydrophobicContact CB-CD 4.18Å; A992-K1081 HydrophobicContact CB-CG 4.24Å
1082	G	79.3	Confident	86.9	Confident	13 Å²	13	40.9 Å²	40.9	13%	0.134	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	146.7	168.3	0	0	0	0	0	111.3	S1084	G1082-S1084 VanDerWaalsContact C-N 3.27Å
1083	T	77.5	Confident	87.2	Confident	12 Å²	12	46.2 Å²	46.2	7%	0.074	23%	0.232	C	C	.	.	S	Bend	trans	-56.1	-45	165.5	39.2	0	0	0	0	111.3	T946 K965 G968	T946-T1083 WeakPolarHBondContact CG2-OG1 3.41Å; K965-T1083 HydrophobicContact CD-CG2 4.05Å; K965-T1083 HydrophobicContact CG-CG2 4.36Å; G968-T1083 WeakPolarHBondContact O-CB 3.48Å; G968-T1083 WeakPolarHBondContact O-CG2 3.33Å; G968-T1083 PolarHBondContact O-N 3.13Å; G968-T1083 PolarHBondContact O-OG1 3.25Å
1084	S	70.8	Confident	87.3	Confident	6 Å²	6	45.2 Å²	45.2	4%	0.042	23%	0.234	C	C	.	.	S	Bend	trans	-104.5	163	176.6	68.4	0	0	0	0	112.4	G1082 T1107 S1131 G1132 G1133	G1082-S1084 VanDerWaalsContact C-N 3.27Å; S1084-T1107 PolarHBondContact O-OG1 3.29Å; S1084-S1131 PolarHBondContact OG-O 2.81Å; S1084-G1132 VanDerWaalsContact OG-C 3.3Å; S1084-G1132 WeakPolarHBondContact OG-CA 3.45Å; S1084-G1133 PolarHBondContact OG-N 3.12Å
1085	S	76.8	Confident	87.3	Confident	35 Å²	35	40.5 Å²	40.5	25%	0.245	22%	0.215	C	C	.	.			trans	-148.5	140.8	-176.2	56.2	0	0	0	0	109.9	R1104 Y1105	S1085-R1104 WeakPolarHBondContact OG-CG 3.47Å; S1085-R1104 PolarHBondContact OG-NE 2.68Å; S1085-Y1105 CarbonylContact C-O 3.52Å; S1085-Y1105 WeakPolarHBondContact CA-O 3.33Å; S1085-Y1105 VanDerWaalsContact CB-O 3.23Å; S1085-Y1105 WeakPolarHBondContact CB-O 3.44Å
1086	C	81.6	Confident	87.1	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.007	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-74.4	145.4	178.9	-59.6	0	0	0	0	111.9	R1104 Y1105 C1129 R1134 W1135	C1086-R1104 CarbonylContact O-C 3.52Å; C1086-Y1105 PolarHBondContact N-O 2.81Å; C1086-Y1105 PolarHBondContact O-N 3.29Å; C1086-C1129 HydrophobicContact CB-CB 3.87Å; C1086-C1129 WeakPolarHBondContact CB-SG 3.16Å; C1086-C1129 PolarHBondContact N-SG 2.85Å; C1086-C1129 VanDerWaalsContact N-SG 3.36Å; C1086-C1129 WeakPolarHBondContact SG-CA 3.37Å; C1086-C1129 WeakPolarHBondContact SG-CB 3.46Å; C1086-C1129 CovalentContact SG-SG 2.03Å; C1086-C1129 PolarHBondContact SG-SG 3.29Å; C1086-R1134 PolarHBondContact SG-N 2.85Å; C1086-R1134 PolarHBondContact SG-O 2.73Å; C1086-W1135 HydrophobicContact CB-CD2 4.13Å; C1086-W1135 HydrophobicContact CB-CG 4.44Å; C1086-W1135 HydrophobicContact CB-CZ2 3.76Å
1087	G	78.3	Confident	86.5	Confident	34 Å²	34	44.4 Å²	44.4	35%	0.351	24%	0.24	S	C	.	.			trans	-76	-163	164.5	0	0	0	0	0	112.1	Y1105 W1135	G1087-Y1105 WeakPolarHBondContact O-CD2 3.23Å; G1087-W1135 WeakPolarHBondContact O-CZ2 3.42Å; G1087-W1135 PolarHBondContact O-NE1 2.66Å
1088	P	84.7	Confident	85.4	Confident	88 Å²	88	50.2 Å²	50.2	57%	0.571	27%	0.266	S	S	*	.	S	Bend	trans	-51.9	145	176.4	-28.6	36.6	0	0	0	113.7	W1135	P1088-W1135 PolarHBondContact O-NE1 3.34Å
1089	P	88.1	Confident	84	Confident	16 Å²	16	53 Å²	53	10%	0.104	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-62.2	149.3	-179.3	-23.7	36.2	0	0	0	112.5	I1097 Y1105 V1111 Y1113 W1135	P1089-I1097 HydrophobicContact CB-CG2 3.97Å; P1089-I1097 HydrophobicContact CG-CD1 4.22Å; P1089-I1097 HydrophobicContact CG-CG2 4.16Å; P1089-Y1105 WeakPolarHBondContact CD-OH 3.2Å; P1089-Y1105 HydrophobicContact CG-CE1 4.46Å; P1089-Y1105 HydrophobicContact CG-CE2 4.11Å; P1089-V1111 HydrophobicContact CB-CG1 4.43Å; P1089-V1111 HydrophobicContact CG-CB 4.41Å; P1089-V1111 HydrophobicContact CG-CG1 4.07Å; P1089-V1111 HydrophobicContact CG-CG2 4.03Å; P1089-Y1113 WeakPolarHBondContact CB-OH 3.48Å; P1089-W1135 HydrophobicContact CB-CZ2 4.33Å; P1089-W1135 HydrophobicContact CG-CH2 4.26Å; P1089-W1135 HydrophobicContact CG-CZ2 3.8Å
1090	P	90.1	Very high	82.2	Confident	47 Å²	47	61.7 Å²	61.7	31%	0.305	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-60.3	145.3	179.6	24.7	-34.3	0	0	0	111.5	V1092 Y1113 W1135 P1138	P1090-V1092 PolarHBondContact O-N 3.16Å; P1090-Y1113 WeakPolarHBondContact CD-OH 3.27Å; P1090-Y1113 WeakPolarHBondContact CG-OH 3.25Å; P1090-Y1113 WeakPolarHBondContact O-CE1 3.27Å; P1090-Y1113 PolarHBondContact O-OH 2.83Å; P1090-W1135 VanDerWaalsContact CD-CG 3.48Å; P1090-W1135 HydrophobicContact CG-CB 4.12Å; P1090-W1135 HydrophobicContact CG-CG 4.42Å; P1090-P1138 HydrophobicContact CB-CG 4.34Å; P1090-P1138 HydrophobicContact CG-CG 3.55Å
1091	K	88.6	Confident	80.9	Confident	214 Å²	214	66.4 Å²	66.4	93%	0.93	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-76.1	121	177	-67.2	-173.7	178.3	-177.1	0	110.2
1092	V	90.3	Very high	80.1	Confident	28 Å²	28	72.6 Å²	72.6	17%	0.17	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-94.2	147.5	173.5	173.9	0	0	0	0	109	P1090 A1095 Y1113 P1138 I1140	P1090-V1092 PolarHBondContact O-N 3.16Å; V1092-A1095 HydrophobicContact CB-CB 4.02Å; V1092-A1095 HydrophobicContact CG1-CB 3.64Å; V1092-Y1113 HydrophobicContact CB-CD1 4.03Å; V1092-Y1113 HydrophobicContact CB-CE1 3.98Å; V1092-Y1113 HydrophobicContact CG2-CD1 3.8Å; V1092-Y1113 HydrophobicContact CG2-CD2 4.45Å; V1092-Y1113 HydrophobicContact CG2-CE1 3.47Å; V1092-Y1113 VanDerWaalsContact CG2-CE1 3.47Å; V1092-Y1113 HydrophobicContact CG2-CE2 4.18Å; V1092-Y1113 HydrophobicContact CG2-CG 4.29Å; V1092-P1138 HydrophobicContact CG2-CB 3.59Å; V1092-P1138 HydrophobicContact CG2-CG 3.79Å; V1092-I1140 HydrophobicContact CG1-CG2 3.81Å; V1092-I1140 HydrophobicContact CG2-CG2 4.04Å
1093	R	88.5	Confident	79.4	Confident	223 Å²	223	78.1 Å²	78.1	84%	0.842	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	131.9	175.7	-69.4	-175.8	177.1	-174.4	-1.3	110	A1095	R1093-A1095 PolarHBondContact O-N 2.88Å
1094	N	89.3	Confident	78.9	Confident	75 Å²	75	82.9 Å²	82.9	40%	0.401	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	32.4	178.4	-45.2	-24.9	0	0	0	113	C1115 S1116 F1119 C1142	N1094-C1115 CarbonylContact O-C 3.55Å; N1094-C1115 WeakPolarHBondContact O-CA 3.48Å; N1094-S1116 VanDerWaalsContact C-OG 3.28Å; N1094-S1116 PolarHBondContact O-N 3.31Å; N1094-S1116 PolarHBondContact O-OG 2.82Å; N1094-F1119 HydrophobicContact CB-CD1 3.93Å; N1094-F1119 HydrophobicContact CB-CD2 4.14Å; N1094-F1119 HydrophobicContact CB-CE1 3.9Å; N1094-F1119 HydrophobicContact CB-CE2 4.1Å; N1094-F1119 HydrophobicContact CB-CG 4.07Å; N1094-F1119 HydrophobicContact CB-CZ 3.99Å; N1094-F1119 WeakPolarHBondContact ND2-CE1 3.5Å; N1094-F1119 WeakPolarHBondContact ND2-CZ 3.17Å; N1094-C1142 HydrophobicContact CB-CB 4.1Å; N1094-C1142 WeakPolarHBondContact O-CB 3.41Å; N1094-C1142 PolarHBondContact O-SG 3.46Å; N1094-C1142 VanDerWaalsContact O-SG 3.34Å
1095	A	89.8	Confident	79.2	Confident	15 Å²	15	83 Å²	83	12%	0.124	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.7	172.4	0	0	0	0	0	111.3	V1092 R1093 Y1113 R1114 I1140	V1092-A1095 HydrophobicContact CB-CB 4.02Å; V1092-A1095 HydrophobicContact CG1-CB 3.64Å; R1093-A1095 PolarHBondContact O-N 2.88Å; A1095-Y1113 HydrophobicContact CB-CD1 4.4Å; A1095-R1114 CarbonylContact C-O 3.33Å; A1095-R1114 WeakPolarHBondContact CA-O 3.31Å; A1095-R1114 WeakPolarHBondContact CB-O 3.05Å; A1095-I1140 HydrophobicContact CB-CD1 4.2Å
1096	S	88.6	Confident	79	Confident	67 Å²	67	83.3 Å²	83.3	47%	0.469	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	164	169.5	53.9	0	0	0	0	110.1	Y1113 R1114	S1096-Y1113 CarbonylContact O-C 3.44Å; S1096-Y1113 VanDerWaalsContact O-CA 3.26Å; S1096-Y1113 WeakPolarHBondContact O-CA 3.25Å; S1096-R1114 PolarHBondContact N-O 2.8Å; S1096-R1114 PolarHBondContact O-N 2.85Å
1097	I	84.4	Confident	78.4	Confident	34 Å²	34	84.3 Å²	84.3	17%	0.174	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	151.2	167.8	71.5	163.2	0	0	0	110	P1089 T1101 V1111 Y1113	P1089-I1097 HydrophobicContact CB-CG2 3.97Å; P1089-I1097 HydrophobicContact CG-CD1 4.22Å; P1089-I1097 HydrophobicContact CG-CG2 4.16Å; I1097-T1101 HydrophobicContact CD1-CG2 3.49Å; I1097-T1101 VanDerWaalsContact CD1-CG2 3.49Å; I1097-T1101 HydrophobicContact CG1-CG2 4.03Å; I1097-V1111 HydrophobicContact CB-CG1 3.78Å; I1097-V1111 HydrophobicContact CD1-CG1 4.32Å; I1097-V1111 HydrophobicContact CG2-CG1 3.67Å; I1097-Y1113 HydrophobicContact CG2-CD1 3.85Å; I1097-Y1113 HydrophobicContact CG2-CE1 3.51Å
1098	F	75.5	Confident	77.5	Confident	125 Å²	125	84.5 Å²	84.5	55%	0.548	43%	0.428	S	S	.	.	S	Bend	trans	-85.4	132	171.5	-172.8	-115.4	0	0	0	110.5	R1112	F1098-R1112 WeakPolarHBondContact CB-O 3.34Å; F1098-R1112 PolarHBondContact N-O 3.41Å
1099	G	68.2	Low	76.9	Confident	58 Å²	58	81.3 Å²	81.3	60%	0.598	41%	0.409	S	S	*	.	S	Bend	trans	88.7	-177	-178.2	0	0	0	0	0	115.2
1100	K	56.9	Low	76.6	Confident	183 Å²	183	84.4 Å²	84.4	80%	0.796	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-74.3	129.5	-179.3	-64.8	168.8	-175.9	161.6	0	110.1	R1102	K1100-R1102 PolarHBondContact O-N 3.34Å
1101	T	65.2	Low	76.2	Confident	104 Å²	104	82.6 Å²	82.6	64%	0.638	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-64.6	117.5	173.8	47.6	0	0	0	0	111.4	I1097	I1097-T1101 HydrophobicContact CD1-CG2 3.49Å; I1097-T1101 VanDerWaalsContact CD1-CG2 3.49Å; I1097-T1101 HydrophobicContact CG1-CG2 4.03Å
1102	R	69.3	Low	76.1	Confident	147 Å²	147	76.7 Å²	76.7	56%	0.555	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-74.1	158	164.1	-52.9	-177.2	179.8	-178.6	-0	110.7	K1100 R1104 Y1105 E1106	K1100-R1102 PolarHBondContact O-N 3.34Å; R1102-R1104 VanDerWaalsContact CB-O 3.25Å; R1102-R1104 WeakPolarHBondContact CB-O 3.24Å; R1102-Y1105 HydrophobicContact CB-CD1 4.31Å; R1102-Y1105 HydrophobicContact CB-CD2 4.15Å; R1102-Y1105 HydrophobicContact CB-CE1 3.92Å; R1102-Y1105 HydrophobicContact CB-CE2 3.74Å; R1102-Y1105 HydrophobicContact CB-CG 4.42Å; R1102-Y1105 HydrophobicContact CG-CD1 4.46Å; R1102-Y1105 HydrophobicContact CG-CE1 4.02Å; R1102-Y1105 PolarHBondContact N-OH 2.94Å; R1102-Y1105 WeakPolarHBondContact O-CE2 3.2Å; R1102-E1106 IonicContact NH1-OE2 3.24Å; R1102-E1106 PolarHBondContact NH1-OE2 2.62Å
1103	V	65.3	Low	76	Confident	129 Å²	129	75.6 Å²	75.6	78%	0.782	38%	0.38	S	S	*	.	S	Bend	trans	-83.8	-34.8	173.4	-179.8	0	0	0	0	111.4
1104	R	67.2	Low	76	Confident	111 Å²	111	71.8 Å²	71.8	42%	0.419	37%	0.366	S	S	.	.	S	Bend	trans	-125.7	142.5	177.7	-168.5	-179.8	-169	-173.1	1	107.7	E960 S1085 C1086 R1102	E960-R1104 IonicContact OE1-CZ 2.97Å; E960-R1104 IonicContact OE1-NH1 3.29Å; E960-R1104 PolarHBondContact OE1-NH1 3.18Å; E960-R1104 IonicContact OE1-NH2 2.63Å; E960-R1104 PolarHBondContact OE1-NH2 3.16Å; S1085-R1104 WeakPolarHBondContact OG-CG 3.47Å; S1085-R1104 PolarHBondContact OG-NE 2.68Å; C1086-R1104 CarbonylContact O-C 3.52Å; R1102-R1104 VanDerWaalsContact CB-O 3.25Å; R1102-R1104 WeakPolarHBondContact CB-O 3.24Å
1105	Y	76.1	Confident	76	Confident	10 Å²	10	69 Å²	69	4%	0.039	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-129.9	137.6	173.1	-63.5	-105.7	0	0	0	109.1	S1085 C1086 G1087 P1089 R1102 V1111 W1135	S1085-Y1105 CarbonylContact C-O 3.52Å; S1085-Y1105 WeakPolarHBondContact CA-O 3.33Å; S1085-Y1105 VanDerWaalsContact CB-O 3.23Å; S1085-Y1105 WeakPolarHBondContact CB-O 3.44Å; C1086-Y1105 PolarHBondContact N-O 2.81Å; C1086-Y1105 PolarHBondContact O-N 3.29Å; G1087-Y1105 WeakPolarHBondContact O-CD2 3.23Å; P1089-Y1105 WeakPolarHBondContact CD-OH 3.2Å; P1089-Y1105 HydrophobicContact CG-CE1 4.46Å; P1089-Y1105 HydrophobicContact CG-CE2 4.11Å; R1102-Y1105 HydrophobicContact CB-CD1 4.31Å; R1102-Y1105 HydrophobicContact CB-CD2 4.15Å; R1102-Y1105 HydrophobicContact CB-CE1 3.92Å; R1102-Y1105 HydrophobicContact CB-CE2 3.74Å; R1102-Y1105 HydrophobicContact CB-CG 4.42Å; R1102-Y1105 HydrophobicContact CG-CD1 4.46Å; R1102-Y1105 HydrophobicContact CG-CE1 4.02Å; R1102-Y1105 PolarHBondContact N-OH 2.94Å; R1102-Y1105 WeakPolarHBondContact O-CE2 3.2Å; Y1105-V1111 HydrophobicContact CD1-CG2 4Å; Y1105-V1111 HydrophobicContact CE1-CG2 3.6Å; Y1105-W1135 AromaticContact CD1-CH2 3.77Å; Y1105-W1135 HydrophobicContact CD1-CH2 3.77Å; Y1105-W1135 HydrophobicContact CD1-CZ2 4.01Å; Y1105-W1135 HydrophobicContact CD2-CH2 4.22Å; Y1105-W1135 AromaticContact CD2-CZ2 3.6Å; Y1105-W1135 HydrophobicContact CD2-CZ2 3.6Å; Y1105-W1135 HydrophobicContact CE1-CH2 4.31Å; Y1105-W1135 HydrophobicContact CE1-CZ2 4.45Å; Y1105-W1135 HydrophobicContact CE2-CZ2 4.08Å; Y1105-W1135 AromaticContact CG-CH2 3.71Å; Y1105-W1135 HydrophobicContact CG-CH2 3.71Å; Y1105-W1135 AromaticContact CG-CZ2 3.55Å; Y1105-W1135 HydrophobicContact CG-CZ2 3.55Å
1106	E	73.6	Confident	76	Confident	41 Å²	41	70.8 Å²	70.8	19%	0.192	36%	0.364	C	S	.	.			trans	-65.5	154.3	-177.9	-61.2	65.8	-144.5	0	0	110.9	R1102 N1108 A1109 C1129	R1102-E1106 IonicContact NH1-OE2 3.24Å; R1102-E1106 PolarHBondContact NH1-OE2 2.62Å; E1106-N1108 PolarHBondContact O-N 2.92Å; E1106-A1109 HydrophobicContact CB-CB 4.27Å; E1106-A1109 WeakPolarHBondContact O-CB 3.41Å; E1106-A1109 PolarHBondContact O-N 2.97Å; E1106-C1129 VanDerWaalsContact O-CB 3.31Å; E1106-C1129 WeakPolarHBondContact O-CB 3.35Å; E1106-C1129 PolarHBondContact O-SG 2.77Å; E1106-C1129 VanDerWaalsContact O-SG 3.33Å
1107	T	68.1	Low	75.9	Confident	21 Å²	21	76.8 Å²	76.8	13%	0.129	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	139.9	167.7	-76.3	0	0	0	0	109.2	F969 S1084 A1109	F969-T1107 HydrophobicContact CE1-CG2 4.39Å; S1084-T1107 PolarHBondContact O-OG1 3.29Å; T1107-A1109 PolarHBondContact O-N 2.79Å
1108	N	60.2	Low	75.8	Confident	39 Å²	39	76.8 Å²	76.8	21%	0.209	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	0.2	-172.4	-65.8	-9.4	0	0	0	116.7	N1033 E1106 V1110 R1128 C1129	N1033-N1108 PolarHBondContact OD1-ND2 3.12Å; E1106-N1108 PolarHBondContact O-N 2.92Å; N1108-V1110 WeakPolarHBondContact O-CG2 2.99Å; N1108-R1128 WeakPolarHBondContact O-CG 3.06Å; N1108-R1128 PolarHBondContact O-NH1 2.83Å; N1108-C1129 VanDerWaalsContact CA-O 3.24Å; N1108-C1129 WeakPolarHBondContact CA-O 3.42Å; N1108-C1129 PolarHBondContact N-O 2.89Å
1109	A	72.3	Confident	76.4	Confident	20 Å²	20	73.5 Å²	73.5	17%	0.165	38%	0.378	C	S	.	.			trans	-58.5	145.7	171.6	0	0	0	0	0	112.1	E1106 T1107 R1128 C1129	E1106-A1109 HydrophobicContact CB-CB 4.27Å; E1106-A1109 WeakPolarHBondContact O-CB 3.41Å; E1106-A1109 PolarHBondContact O-N 2.97Å; T1107-A1109 PolarHBondContact O-N 2.79Å; A1109-R1128 CarbonylContact O-C 3.58Å; A1109-R1128 WeakPolarHBondContact O-CA 3.06Å; A1109-C1129 HydrophobicContact CB-CB 4.46Å; A1109-C1129 PolarHBondContact O-N 3.21Å
1110	V	80.7	Confident	77.1	Confident	81 Å²	81	74.5 Å²	74.5	49%	0.491	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.8	-168.8	-178.3	0	0	0	0	110.6	N1108 V1126 R1128	N1108-V1110 WeakPolarHBondContact O-CG2 2.99Å; V1110-V1126 HydrophobicContact CG1-CG1 3.22Å; V1110-R1128 HydrophobicContact CG2-CG 4.37Å
1111	V	83.1	Confident	78.4	Confident	10 Å²	10	69.1 Å²	69.1	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.2	175.2	175.6	0	0	0	0	109.9	P1089 I1097 Y1105 V1126 V1127 W1135	P1089-V1111 HydrophobicContact CB-CG1 4.43Å; P1089-V1111 HydrophobicContact CG-CB 4.41Å; P1089-V1111 HydrophobicContact CG-CG1 4.07Å; P1089-V1111 HydrophobicContact CG-CG2 4.03Å; I1097-V1111 HydrophobicContact CB-CG1 3.78Å; I1097-V1111 HydrophobicContact CD1-CG1 4.32Å; I1097-V1111 HydrophobicContact CG2-CG1 3.67Å; Y1105-V1111 HydrophobicContact CD1-CG2 4Å; Y1105-V1111 HydrophobicContact CE1-CG2 3.6Å; V1111-V1126 WeakPolarHBondContact O-CA 3.45Å; V1111-V1127 HydrophobicContact CB-CG2 4.24Å; V1111-V1127 PolarHBondContact N-O 3.48Å; V1111-V1127 PolarHBondContact O-N 3.48Å; V1111-W1135 HydrophobicContact CB-CH2 4.37Å; V1111-W1135 HydrophobicContact CB-CZ3 4.3Å; V1111-W1135 HydrophobicContact CG2-CH2 3.56Å; V1111-W1135 HydrophobicContact CG2-CZ2 4.44Å; V1111-W1135 HydrophobicContact CG2-CZ3 3.94Å
1112	R	86.4	Confident	79.1	Confident	89 Å²	89	70 Å²	70	34%	0.336	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.4	175	-169.1	166.3	172.1	142.3	-7.6	109.9	D224 F1098 P1125 V1126	D224-R1112 IonicContact OD1-CZ 2.91Å; D224-R1112 IonicContact OD1-NH2 3.78Å; D224-R1112 PolarHBondContact OD1-NH2 2.71Å; D224-R1112 IonicContact OD2-CZ 2.66Å; D224-R1112 IonicContact OD2-NH1 2.85Å; D224-R1112 PolarHBondContact OD2-NH1 2.68Å; D224-R1112 IonicContact OD2-NH2 3.12Å; D224-R1112 PolarHBondContact OD2-NH2 3.17Å; F1098-R1112 WeakPolarHBondContact CB-O 3.34Å; F1098-R1112 PolarHBondContact N-O 3.41Å; R1112-P1125 CarbonylContact C-O 3.56Å; R1112-P1125 WeakPolarHBondContact CA-O 3.37Å; R1112-P1125 HydrophobicContact CG-CB 3.87Å; R1112-P1125 HydrophobicContact CG-CG 3.96Å; R1112-V1126 HydrophobicContact CB-CG2 4.4Å; R1112-V1126 HydrophobicContact CG-CG2 4.15Å
1113	Y	86.9	Confident	79.8	Confident	5 Å²	5	68.7 Å²	68.7	2%	0.02	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	160.5	170.5	-68.8	-94.3	0	0	0	111.2	P1089 P1090 V1092 A1095 S1096 I1097 P1125 V1127 P1138 I1140	P1089-Y1113 WeakPolarHBondContact CB-OH 3.48Å; P1090-Y1113 WeakPolarHBondContact CD-OH 3.27Å; P1090-Y1113 WeakPolarHBondContact CG-OH 3.25Å; P1090-Y1113 WeakPolarHBondContact O-CE1 3.27Å; P1090-Y1113 PolarHBondContact O-OH 2.83Å; V1092-Y1113 HydrophobicContact CB-CD1 4.03Å; V1092-Y1113 HydrophobicContact CB-CE1 3.98Å; V1092-Y1113 HydrophobicContact CG2-CD1 3.8Å; V1092-Y1113 HydrophobicContact CG2-CD2 4.45Å; V1092-Y1113 HydrophobicContact CG2-CE1 3.47Å; V1092-Y1113 VanDerWaalsContact CG2-CE1 3.47Å; V1092-Y1113 HydrophobicContact CG2-CE2 4.18Å; V1092-Y1113 HydrophobicContact CG2-CG 4.29Å; A1095-Y1113 HydrophobicContact CB-CD1 4.4Å; S1096-Y1113 CarbonylContact O-C 3.44Å; S1096-Y1113 VanDerWaalsContact O-CA 3.26Å; S1096-Y1113 WeakPolarHBondContact O-CA 3.25Å; I1097-Y1113 HydrophobicContact CG2-CD1 3.85Å; I1097-Y1113 HydrophobicContact CG2-CE1 3.51Å; Y1113-P1125 WeakPolarHBondContact CD2-O 3.25Å; Y1113-P1125 PolarHBondContact N-O 3.49Å; Y1113-P1125 WeakPolarHBondContact O-CB 3.41Å; Y1113-V1127 HydrophobicContact CE2-CB 4.49Å; Y1113-V1127 HydrophobicContact CE2-CG1 3.98Å; Y1113-V1127 HydrophobicContact CE2-CG2 3.69Å; Y1113-P1138 HydrophobicContact CE2-CB 4.49Å; Y1113-P1138 HydrophobicContact CE2-CG 4.41Å; Y1113-I1140 HydrophobicContact CD2-CG2 4.22Å; Y1113-I1140 HydrophobicContact CG-CG2 4.23Å
1114	R	88.1	Confident	80.3	Confident	143 Å²	143	66.6 Å²	66.6	54%	0.54	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.6	170.8	179.3	-176.1	-71	-163.6	-5.5	107.9	A1095 S1096	A1095-R1114 CarbonylContact C-O 3.33Å; A1095-R1114 WeakPolarHBondContact CA-O 3.31Å; A1095-R1114 WeakPolarHBondContact CB-O 3.05Å; S1096-R1114 PolarHBondContact N-O 2.8Å; S1096-R1114 PolarHBondContact O-N 2.85Å
1115	C	90.1	Very high	81.3	Confident	18 Å²	18	61.8 Å²	61.8	12%	0.122	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	150.9	174.1	-64.8	0	0	0	0	111.8	N1094 F1119 Q1121 C1142	N1094-C1115 CarbonylContact O-C 3.55Å; N1094-C1115 WeakPolarHBondContact O-CA 3.48Å; C1115-F1119 HydrophobicContact CB-CB 4.1Å; C1115-F1119 VanDerWaalsContact CB-O 3.26Å; C1115-F1119 WeakPolarHBondContact CB-O 3.47Å; C1115-Q1121 WeakPolarHBondContact SG-CA 3.41Å; C1115-C1142 WeakPolarHBondContact CA-SG 3.43Å; C1115-C1142 HydrophobicContact CB-CB 3.78Å; C1115-C1142 WeakPolarHBondContact CB-SG 3.48Å; C1115-C1142 VanDerWaalsContact SG-CA 3.58Å; C1115-C1142 WeakPolarHBondContact SG-CB 3.46Å; C1115-C1142 CovalentContact SG-SG 2.04Å; C1115-C1142 PolarHBondContact SG-SG 3.19Å
1116	S	90	Very high	81.8	Confident	51 Å²	51	63.2 Å²	63.2	36%	0.357	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-65.1	156.7	170.5	-59.8	0	0	0	0	111	N1094 F1119	N1094-S1116 VanDerWaalsContact C-OG 3.28Å; N1094-S1116 PolarHBondContact O-N 3.31Å; N1094-S1116 PolarHBondContact O-OG 2.82Å; S1116-F1119 WeakPolarHBondContact O-CB 3.26Å; S1116-F1119 PolarHBondContact O-N 2.95Å; S1116-F1119 VanDerWaalsContact O-N 3.13Å
1117	E	86.6	Confident	82.5	Confident	194 Å²	194	61.3 Å²	61.3	91%	0.907	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	136.8	176.7	-169.4	172.7	-174.4	0	0	111.6
1118	G	82.8	Confident	83.2	Confident	34 Å²	34	64.5 Å²	64.5	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	8.5	-173.3	0	0	0	0	0	115.6	P1144 E1145	G1118-P1144 WeakPolarHBondContact O-CA 3.45Å; G1118-E1145 WeakPolarHBondContact CA-OE2 3.04Å; G1118-E1145 PolarHBondContact O-N 3.36Å
1119	F	87.7	Confident	84.2	Confident	56 Å²	56	62.7 Å²	62.7	25%	0.246	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.6	176.4	-65.8	-100.1	0	0	0	113.1	N1094 C1115 S1116 C1142 I1143 P1144	N1094-F1119 HydrophobicContact CB-CD1 3.93Å; N1094-F1119 HydrophobicContact CB-CD2 4.14Å; N1094-F1119 HydrophobicContact CB-CE1 3.9Å; N1094-F1119 HydrophobicContact CB-CE2 4.1Å; N1094-F1119 HydrophobicContact CB-CG 4.07Å; N1094-F1119 HydrophobicContact CB-CZ 3.99Å; N1094-F1119 WeakPolarHBondContact ND2-CE1 3.5Å; N1094-F1119 WeakPolarHBondContact ND2-CZ 3.17Å; C1115-F1119 HydrophobicContact CB-CB 4.1Å; C1115-F1119 VanDerWaalsContact CB-O 3.26Å; C1115-F1119 WeakPolarHBondContact CB-O 3.47Å; S1116-F1119 WeakPolarHBondContact O-CB 3.26Å; S1116-F1119 PolarHBondContact O-N 2.95Å; S1116-F1119 VanDerWaalsContact O-N 3.13Å; F1119-C1142 HydrophobicContact CB-CB 3.95Å; F1119-C1142 HydrophobicContact CD1-CB 4.36Å; F1119-C1142 HydrophobicContact CG-CB 4.43Å; F1119-I1143 CarbonylContact C-O 3.58Å; F1119-I1143 VanDerWaalsContact CA-O 3.25Å; F1119-I1143 WeakPolarHBondContact CA-O 3.37Å; F1119-P1144 HydrophobicContact CD1-CG 4.04Å; F1119-P1144 HydrophobicContact CE1-CB 4.35Å; F1119-P1144 HydrophobicContact CE1-CG 3.62Å; F1119-P1144 HydrophobicContact CZ-CG 4.4Å
1120	Q	83.5	Confident	84.2	Confident	78 Å²	78	65.5 Å²	65.5	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	137.4	171.8	-53.2	-157	-20.2	0	0	111.7	C1142 I1143 E1145	Q1120-C1142 WeakPolarHBondContact O-CA 3.45Å; Q1120-I1143 PolarHBondContact N-O 3.13Å; Q1120-I1143 PolarHBondContact O-N 2.92Å; Q1120-E1145 HydrophobicContact CG-CG 3.34Å
1121	Q	83.4	Confident	83.1	Confident	71 Å²	71	63.9 Å²	63.9	33%	0.332	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.4	171.3	-165.2	-177.7	-78.1	0	0	111.6	C1115 I1140	C1115-Q1121 WeakPolarHBondContact SG-CA 3.41Å; Q1121-I1140 HydrophobicContact CG-CD1 4.1Å; Q1121-I1140 HydrophobicContact CG-CG1 4.25Å
1122	R	80.6	Confident	82.2	Confident	122 Å²	122	65.3 Å²	65.3	46%	0.46	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.6	166.1	-61	-64.6	-175.8	-106.8	-2.4	108.8	L1141 I1143	R1122-L1141 HydrophobicContact CB-CB 4.27Å; R1122-L1141 PolarHBondContact N-O 3.26Å; R1122-L1141 PolarHBondContact O-N 2.03Å; R1122-I1143 HydrophobicContact CG-CD1 3.77Å; R1122-I1143 HydrophobicContact CG-CG1 4.31Å
1123	L	83.6	Confident	81.5	Confident	120 Å²	120	62.2 Å²	62.2	63%	0.628	33%	0.325	S	S	*	.	S	Bend	trans	61.7	-179.7	-177.8	-52.7	175.2	0	0	0	113.4	P1125 Q1139 L1141	L1123-P1125 WeakPolarHBondContact O-CD 3.26Å; L1123-Q1139 VanDerWaalsContact CB-O 3.27Å; L1123-Q1139 WeakPolarHBondContact CB-O 3.02Å; L1123-Q1139 VanDerWaalsContact CD1-O 3.25Å; L1123-Q1139 WeakPolarHBondContact CD1-O 3.25Å; L1123-L1141 HydrophobicContact CD1-CB 4.38Å
1124	N	76.3	Confident	81.1	Confident	84 Å²	84	71 Å²	71	45%	0.449	36%	0.359	S	S	.	.			trans	-67.7	121.6	-173	-174.7	3	0	0	0	111.5	V1126 I1140	N1124-V1126 PolarHBondContact O-N 3.36Å; N1124-V1126 VanDerWaalsContact OD1-CB 3.3Å; N1124-V1126 WeakPolarHBondContact OD1-CB 3.33Å; N1124-V1126 WeakPolarHBondContact OD1-CG2 3.23Å; N1124-V1126 PolarHBondContact OD1-N 3.33Å; N1124-I1140 PolarHBondContact O-N 3.13Å
1125	P	87.6	Confident	81	Confident	11 Å²	11	66.1 Å²	66.1	7%	0.071	34%	0.34	C	S	.	.			trans	-75.5	-7.9	175.5	32.6	-36.6	0	0	0	114.2	R1112 Y1113 L1123 I1140	R1112-P1125 CarbonylContact C-O 3.56Å; R1112-P1125 WeakPolarHBondContact CA-O 3.37Å; R1112-P1125 HydrophobicContact CG-CB 3.87Å; R1112-P1125 HydrophobicContact CG-CG 3.96Å; Y1113-P1125 WeakPolarHBondContact CD2-O 3.25Å; Y1113-P1125 PolarHBondContact N-O 3.49Å; Y1113-P1125 WeakPolarHBondContact O-CB 3.41Å; L1123-P1125 WeakPolarHBondContact O-CD 3.26Å; P1125-I1140 HydrophobicContact CB-CD1 4.23Å
1126	V	86.3	Confident	80.9	Confident	39 Å²	39	69 Å²	69	24%	0.236	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.1	-172	-174.7	0	0	0	0	111.7	V1110 V1111 R1112 N1124	V1110-V1126 HydrophobicContact CG1-CG1 3.22Å; V1111-V1126 WeakPolarHBondContact O-CA 3.45Å; R1112-V1126 HydrophobicContact CB-CG2 4.4Å; R1112-V1126 HydrophobicContact CG-CG2 4.15Å; N1124-V1126 PolarHBondContact O-N 3.36Å; N1124-V1126 VanDerWaalsContact OD1-CB 3.3Å; N1124-V1126 WeakPolarHBondContact OD1-CB 3.33Å; N1124-V1126 WeakPolarHBondContact OD1-CG2 3.23Å; N1124-V1126 PolarHBondContact OD1-N 3.33Å
1127	V	87.6	Confident	80.7	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.006	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.1	164.9	-61.4	0	0	0	0	111.1	V1111 Y1113 W1135 E1136 P1138	V1111-V1127 HydrophobicContact CB-CG2 4.24Å; V1111-V1127 PolarHBondContact N-O 3.48Å; V1111-V1127 PolarHBondContact O-N 3.48Å; Y1113-V1127 HydrophobicContact CE2-CB 4.49Å; Y1113-V1127 HydrophobicContact CE2-CG1 3.98Å; Y1113-V1127 HydrophobicContact CE2-CG2 3.69Å; V1127-W1135 HydrophobicContact CG2-CE3 3.79Å; V1127-W1135 HydrophobicContact CG2-CZ3 4.13Å; V1127-E1136 HydrophobicContact CB-CB 4.36Å; V1127-P1138 HydrophobicContact CG1-CB 3.97Å; V1127-P1138 HydrophobicContact CG1-CG 4Å
1128	R	83.1	Confident	80.7	Confident	89 Å²	89	68.9 Å²	68.9	34%	0.336	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.4	174	-163	176.7	-70.8	-99.2	17.2	112.5	N1108 A1109 V1110 E1136	N1108-R1128 WeakPolarHBondContact O-CG 3.06Å; N1108-R1128 PolarHBondContact O-NH1 2.83Å; A1109-R1128 CarbonylContact O-C 3.58Å; A1109-R1128 WeakPolarHBondContact O-CA 3.06Å; V1110-R1128 HydrophobicContact CG2-CG 4.37Å; R1128-E1136 PolarHBondContact N-OE2 2.61Å; R1128-E1136 VanDerWaalsContact O-CB 3.26Å; R1128-E1136 WeakPolarHBondContact O-CB 3.4Å; R1128-E1136 PolarHBondContact O-N 3.33Å
1129	C	80.8	Confident	80.8	Confident	0 Å²	0	72 Å²	72	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.8	164.8	177.1	0	0	0	0	109.8	C1086 E1106 N1108 A1109 W1135	C1086-C1129 HydrophobicContact CB-CB 3.87Å; C1086-C1129 WeakPolarHBondContact CB-SG 3.16Å; C1086-C1129 PolarHBondContact N-SG 2.85Å; C1086-C1129 VanDerWaalsContact N-SG 3.36Å; C1086-C1129 WeakPolarHBondContact SG-CA 3.37Å; C1086-C1129 WeakPolarHBondContact SG-CB 3.46Å; C1086-C1129 CovalentContact SG-SG 2.03Å; C1086-C1129 PolarHBondContact SG-SG 3.29Å; E1106-C1129 VanDerWaalsContact O-CB 3.31Å; E1106-C1129 WeakPolarHBondContact O-CB 3.35Å; E1106-C1129 PolarHBondContact O-SG 2.77Å; E1106-C1129 VanDerWaalsContact O-SG 3.33Å; N1108-C1129 VanDerWaalsContact CA-O 3.24Å; N1108-C1129 WeakPolarHBondContact CA-O 3.42Å; N1108-C1129 PolarHBondContact N-O 2.89Å; A1109-C1129 HydrophobicContact CB-CB 4.46Å; A1109-C1129 PolarHBondContact O-N 3.21Å; C1129-W1135 HydrophobicContact CB-CE3 4.16Å; C1129-W1135 HydrophobicContact CB-CH2 4.11Å; C1129-W1135 HydrophobicContact CB-CZ3 3.87Å
1130	L	73.9	Confident	80.8	Confident	79 Å²	79	70 Å²	70	41%	0.414	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	154.6	-178.8	-52.3	175.8	0	0	0	111.2	G1132 G1133 R1134 E1136	L1130-G1132 PolarHBondContact O-N 2.92Å; L1130-G1133 PolarHBondContact O-N 2.7Å; L1130-R1134 VanDerWaalsContact CB-O 3.24Å; L1130-R1134 WeakPolarHBondContact CB-O 3.47Å; L1130-R1134 WeakPolarHBondContact CG-O 3.35Å; L1130-R1134 PolarHBondContact N-O 2.97Å; L1130-E1136 HydrophobicContact CD2-CB 4.44Å; L1130-E1136 HydrophobicContact CG-CB 4.49Å
1131	S	57.6	Low	81.1	Confident	48 Å²	48	70.6 Å²	70.6	34%	0.336	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	4.8	-175.5	50.1	0	0	0	0	117.2	S1084	S1084-S1131 PolarHBondContact OG-O 2.81Å
1132	G	62.9	Low	81.4	Confident	40 Å²	40	67.8 Å²	67.8	41%	0.412	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	24	169.4	0	0	0	0	0	113.7	S1084 L1130 R1134	S1084-G1132 VanDerWaalsContact OG-C 3.3Å; S1084-G1132 WeakPolarHBondContact OG-CA 3.45Å; L1130-G1132 PolarHBondContact O-N 2.92Å; G1132-R1134 VanDerWaalsContact C-N 3.28Å; G1132-R1134 PolarHBondContact O-N 2.04Å
1133	G	72.1	Confident	81.7	Confident	24 Å²	24	65.4 Å²	65.4	25%	0.247	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	20.5	177.9	0	0	0	0	0	114.4	S1084 L1130	S1084-G1133 PolarHBondContact OG-N 3.12Å; L1130-G1133 PolarHBondContact O-N 2.7Å
1134	R	79.8	Confident	81.8	Confident	190 Å²	190	63.3 Å²	63.3	72%	0.717	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	139.6	-174.9	-63.9	175.1	-161.2	-144.6	2.3	110.4	C1086 L1130 G1132	C1086-R1134 PolarHBondContact SG-N 2.85Å; C1086-R1134 PolarHBondContact SG-O 2.73Å; L1130-R1134 VanDerWaalsContact CB-O 3.24Å; L1130-R1134 WeakPolarHBondContact CB-O 3.47Å; L1130-R1134 WeakPolarHBondContact CG-O 3.35Å; L1130-R1134 PolarHBondContact N-O 2.97Å; G1132-R1134 VanDerWaalsContact C-N 3.28Å; G1132-R1134 PolarHBondContact O-N 2.04Å
1135	W	85.3	Confident	81.5	Confident	40 Å²	40	65.3 Å²	65.3	15%	0.152	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.7	171.6	-69.4	102.1	0	0	0	111.6	C1086 G1087 P1088 P1089 P1090 Y1105 V1111 V1127 C1129	C1086-W1135 HydrophobicContact CB-CD2 4.13Å; C1086-W1135 HydrophobicContact CB-CG 4.44Å; C1086-W1135 HydrophobicContact CB-CZ2 3.76Å; G1087-W1135 WeakPolarHBondContact O-CZ2 3.42Å; G1087-W1135 PolarHBondContact O-NE1 2.66Å; P1088-W1135 PolarHBondContact O-NE1 3.34Å; P1089-W1135 HydrophobicContact CB-CZ2 4.33Å; P1089-W1135 HydrophobicContact CG-CH2 4.26Å; P1089-W1135 HydrophobicContact CG-CZ2 3.8Å; P1090-W1135 VanDerWaalsContact CD-CG 3.48Å; P1090-W1135 HydrophobicContact CG-CB 4.12Å; P1090-W1135 HydrophobicContact CG-CG 4.42Å; Y1105-W1135 AromaticContact CD1-CH2 3.77Å; Y1105-W1135 HydrophobicContact CD1-CH2 3.77Å; Y1105-W1135 HydrophobicContact CD1-CZ2 4.01Å; Y1105-W1135 HydrophobicContact CD2-CH2 4.22Å; Y1105-W1135 AromaticContact CD2-CZ2 3.6Å; Y1105-W1135 HydrophobicContact CD2-CZ2 3.6Å; Y1105-W1135 HydrophobicContact CE1-CH2 4.31Å; Y1105-W1135 HydrophobicContact CE1-CZ2 4.45Å; Y1105-W1135 HydrophobicContact CE2-CZ2 4.08Å; Y1105-W1135 AromaticContact CG-CH2 3.71Å; Y1105-W1135 HydrophobicContact CG-CH2 3.71Å; Y1105-W1135 AromaticContact CG-CZ2 3.55Å; Y1105-W1135 HydrophobicContact CG-CZ2 3.55Å; V1111-W1135 HydrophobicContact CB-CH2 4.37Å; V1111-W1135 HydrophobicContact CB-CZ3 4.3Å; V1111-W1135 HydrophobicContact CG2-CH2 3.56Å; V1111-W1135 HydrophobicContact CG2-CZ2 4.44Å; V1111-W1135 HydrophobicContact CG2-CZ3 3.94Å; V1127-W1135 HydrophobicContact CG2-CE3 3.79Å; V1127-W1135 HydrophobicContact CG2-CZ3 4.13Å; C1129-W1135 HydrophobicContact CB-CE3 4.16Å; C1129-W1135 HydrophobicContact CB-CH2 4.11Å; C1129-W1135 HydrophobicContact CB-CZ3 3.87Å
1136	E	88	Confident	80.5	Confident	77 Å²	77	68.4 Å²	68.4	36%	0.36	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-52.2	145.6	157.4	-178.6	177.8	-155.8	0	0	110.5	V1127 R1128 L1130 P1138	V1127-E1136 HydrophobicContact CB-CB 4.36Å; R1128-E1136 PolarHBondContact N-OE2 2.61Å; R1128-E1136 VanDerWaalsContact O-CB 3.26Å; R1128-E1136 WeakPolarHBondContact O-CB 3.4Å; R1128-E1136 PolarHBondContact O-N 3.33Å; L1130-E1136 HydrophobicContact CD2-CB 4.44Å; L1130-E1136 HydrophobicContact CG-CB 4.49Å; E1136-P1138 WeakPolarHBondContact O-CD 3.36Å
1137	R	85.3	Confident	78.7	Confident	206 Å²	206	69.8 Å²	69.8	78%	0.777	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-69.1	121.5	-179.9	-178.6	174.2	-179.6	155.3	0.3	109.5	Q1139	R1137-Q1139 PolarHBondContact O-N 2.84Å; R1137-Q1139 PolarHBondContact O-NE2 2.89Å
1138	P	87.3	Confident	76.4	Confident	37 Å²	37	79 Å²	79	24%	0.24	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-57.7	128.9	177.3	-22.2	31.3	0	0	0	111.9	P1090 V1092 Y1113 V1127 E1136 I1140	P1090-P1138 HydrophobicContact CB-CG 4.34Å; P1090-P1138 HydrophobicContact CG-CG 3.55Å; V1092-P1138 HydrophobicContact CG2-CB 3.59Å; V1092-P1138 HydrophobicContact CG2-CG 3.79Å; Y1113-P1138 HydrophobicContact CE2-CB 4.49Å; Y1113-P1138 HydrophobicContact CE2-CG 4.41Å; V1127-P1138 HydrophobicContact CG1-CB 3.97Å; V1127-P1138 HydrophobicContact CG1-CG 4Å; E1136-P1138 WeakPolarHBondContact O-CD 3.36Å; P1138-I1140 HydrophobicContact CB-CG2 4.11Å
1139	Q	85.3	Confident	74.7	Confident	100 Å²	100	82.3 Å²	82.3	47%	0.467	45%	0.448	S	S	.	.			trans	-97.2	-16.3	176.6	-57.2	-54.9	-50.5	0	0	112.7	L1123 R1137 L1141	L1123-Q1139 VanDerWaalsContact CB-O 3.27Å; L1123-Q1139 WeakPolarHBondContact CB-O 3.02Å; L1123-Q1139 VanDerWaalsContact CD1-O 3.25Å; L1123-Q1139 WeakPolarHBondContact CD1-O 3.25Å; R1137-Q1139 PolarHBondContact O-N 2.84Å; R1137-Q1139 PolarHBondContact O-NE2 2.89Å; Q1139-L1141 PolarHBondContact O-N 3.22Å
1140	I	87.3	Confident	72.6	Confident	15 Å²	15	91 Å²	91	8%	0.077	49%	0.491	C	S	.	.			trans	-54.1	133.8	178.7	178.4	169.5	0	0	0	112.6	V1092 A1095 Y1113 Q1121 N1124 P1125 P1138	V1092-I1140 HydrophobicContact CG1-CG2 3.81Å; V1092-I1140 HydrophobicContact CG2-CG2 4.04Å; A1095-I1140 HydrophobicContact CB-CD1 4.2Å; Y1113-I1140 HydrophobicContact CD2-CG2 4.22Å; Y1113-I1140 HydrophobicContact CG-CG2 4.23Å; Q1121-I1140 HydrophobicContact CG-CD1 4.1Å; Q1121-I1140 HydrophobicContact CG-CG1 4.25Å; N1124-I1140 PolarHBondContact O-N 3.13Å; P1125-I1140 HydrophobicContact CB-CD1 4.23Å; P1138-I1140 HydrophobicContact CB-CG2 4.11Å
1141	L	89.1	Confident	71.2	Confident	89 Å²	89	94.5 Å²	94.5	47%	0.466	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.6	174.1	176.4	64	0	0	0	109.2	R1122 L1123 Q1139 I1143	R1122-L1141 HydrophobicContact CB-CB 4.27Å; R1122-L1141 PolarHBondContact N-O 3.26Å; R1122-L1141 PolarHBondContact O-N 2.03Å; L1123-L1141 HydrophobicContact CD1-CB 4.38Å; Q1139-L1141 PolarHBondContact O-N 3.22Å; L1141-I1143 HydrophobicContact CD2-CD1 3.98Å; L1141-I1143 HydrophobicContact CD2-CG1 4.2Å; L1141-I1143 HydrophobicContact CG-CD1 4.27Å; L1141-I1143 HydrophobicContact CG-CG1 3.95Å
1142	C	89.1	Confident	70.2	Confident	12 Å²	12	100.2 Å²	100.2	8%	0.081	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.1	179.9	-63.4	0	0	0	0	109.7	N1094 C1115 F1119 Q1120	N1094-C1142 HydrophobicContact CB-CB 4.1Å; N1094-C1142 WeakPolarHBondContact O-CB 3.41Å; N1094-C1142 PolarHBondContact O-SG 3.46Å; N1094-C1142 VanDerWaalsContact O-SG 3.34Å; C1115-C1142 WeakPolarHBondContact CA-SG 3.43Å; C1115-C1142 HydrophobicContact CB-CB 3.78Å; C1115-C1142 WeakPolarHBondContact CB-SG 3.48Å; C1115-C1142 VanDerWaalsContact SG-CA 3.58Å; C1115-C1142 WeakPolarHBondContact SG-CB 3.46Å; C1115-C1142 CovalentContact SG-SG 2.04Å; C1115-C1142 PolarHBondContact SG-SG 3.19Å; F1119-C1142 HydrophobicContact CB-CB 3.95Å; F1119-C1142 HydrophobicContact CD1-CB 4.36Å; F1119-C1142 HydrophobicContact CG-CB 4.43Å; Q1120-C1142 WeakPolarHBondContact O-CA 3.45Å
1143	I	87.1	Confident	69	Low	72 Å²	72	105.7 Å²	105.7	37%	0.369	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.9	-171.3	-53.4	-176.7	0	0	0	109.9	F1119 Q1120 R1122 L1141	F1119-I1143 CarbonylContact C-O 3.58Å; F1119-I1143 VanDerWaalsContact CA-O 3.25Å; F1119-I1143 WeakPolarHBondContact CA-O 3.37Å; Q1120-I1143 PolarHBondContact N-O 3.13Å; Q1120-I1143 PolarHBondContact O-N 2.92Å; R1122-I1143 HydrophobicContact CG-CD1 3.77Å; R1122-I1143 HydrophobicContact CG-CG1 4.31Å; L1141-I1143 HydrophobicContact CD2-CD1 3.98Å; L1141-I1143 HydrophobicContact CD2-CG1 4.2Å; L1141-I1143 HydrophobicContact CG-CD1 4.27Å; L1141-I1143 HydrophobicContact CG-CG1 3.95Å
1144	P	86.7	Confident	67	Low	77 Å²	77	107 Å²	107	50%	0.5	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-55.1	144.4	179.9	-23.6	31.3	0	0	0	113.8	G1118 F1119 G1146	G1118-P1144 WeakPolarHBondContact O-CA 3.45Å; F1119-P1144 HydrophobicContact CD1-CG 4.04Å; F1119-P1144 HydrophobicContact CE1-CB 4.35Å; F1119-P1144 HydrophobicContact CE1-CG 3.62Å; F1119-P1144 HydrophobicContact CZ-CG 4.4Å; P1144-G1146 PolarHBondContact O-N 3.23Å
1145	E	70	Confident	64.7	Low	125 Å²	125	106.2 Å²	106.2	58%	0.584	57%	0.566	S	S	*	*	S	Bend	trans	-76.7	5.8	-178.2	-79.4	-177.7	131.3	0	0	115.7	G1118 Q1120	G1118-E1145 WeakPolarHBondContact CA-OE2 3.04Å; G1118-E1145 PolarHBondContact O-N 3.36Å; Q1120-E1145 HydrophobicContact CG-CG 3.34Å
1146	G	65.4	Low	62.2	Low	77 Å²	77	111.7 Å²	111.7	79%	0.794	60%	0.597	S	S	*	*	S	Bend	trans	-153	64.1	-177.8	0	0	0	0	0	113.4	P1144	P1144-G1146 PolarHBondContact O-N 3.23Å
1147	G	49	Very low	59.4	Low	68 Å²	68	113.1 Å²	113.1	70%	0.701	62%	0.616	S	S	*	*			trans	-143.8	121.8	175.2	0	0	0	0	0	112.3
1148	E	39.2	Very low	56.9	Low	193 Å²	193	111.5 Å²	111.5	90%	0.902	62%	0.617	S	S	*	*			trans	-71	161.1	179.1	-64.9	-179.3	118	0	0	113.1	M1150	E1148-M1150 PolarHBondContact O-N 2.79Å; E1148-M1150 VanDerWaalsContact O-N 3.13Å
1149	I	48.6	Very low	54.4	Low	160 Å²	160	115.7 Å²	115.7	82%	0.821	64%	0.642	S	S	*	*			trans	-76.1	97.8	173.3	-57.3	172.7	0	0	0	109.3	Q1151	I1149-Q1151 HydrophobicContact CG2-CG 4.1Å; I1149-Q1151 PolarHBondContact O-N 3.38Å
1150	M	36.1	Very low	51.6	Low	181 Å²	181	118.8 Å²	118.8	89%	0.892	66%	0.662	S	S	*	*			trans	-83.2	106.1	159.9	-75.8	-131.5	-62.1	0	0	110.7	E1148	E1148-M1150 PolarHBondContact O-N 2.79Å; E1148-M1150 VanDerWaalsContact O-N 3.13Å
1151	Q	44.7	Very low	49	Very low	153 Å²	153	122.1 Å²	122.1	72%	0.715	69%	0.686	S	S	*	*			trans	-86.6	166.6	157.3	-74	-175.7	-16.5	0	0	110.6	I1149	I1149-Q1151 HydrophobicContact CG2-CG 4.1Å; I1149-Q1151 PolarHBondContact O-N 3.38Å
1152	H	36.3	Very low	46.1	Very low	169 Å²	169	124.9 Å²	124.9	78%	0.782	70%	0.702	S	S	*	*			trans	71.4	141.2	-177.5	-64.6	-80.6	0	0	0	115.4
1153	L	37.9	Very low	43.1	Very low	154 Å²	154	133.8 Å²	133.8	81%	0.806	74%	0.739	S	S	*	*			cis	-154.6	153.6	0	-152.5	140.3	0	0	0	108.6
1154	G	30.4	Very low	40.3	Very low	52 Å²	52	134.4 Å²	134.4	54%	0.536	75%	0.75	S	S	.	*			cis	149.9	148.3	-5.9	0	0	0	0	0	112.2
1155	M	31.4	Very low	37.6	Very low	174 Å²	174	135.5 Å²	135.5	86%	0.857	77%	0.766	S	S	*	*			trans	68.6	147.4	-176.1	-45.1	-162.2	78.7	0	0	114.5
1156	L	31.3	Very low	35.6	Very low	155 Å²	155	134.3 Å²	134.3	81%	0.812	78%	0.777	S	S	*	*			cis	-126.8	140.1	25.4	-74.5	155.5	0	0	0	110.6
1157	S	29.7	Very low	34.1	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	78%	0.782	S	S	*	*				88.8	159.9	73.5	-152.8	0	0	0	0	113.9
1158	Q	33.9	Very low	33.1	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	79%	0.792	S	S	*	*			trans	-96.3	171.8	-156.3	-60.2	176.8	-24.8	0	0	115.1
1159	T	33.2	Very low	32.7	Very low	126 Å²	126	141.9 Å²	141.9	77%	0.773	78%	0.784	S	S	*	*			trans	55.2	117.3	159.6	53.9	0	0	0	0	118.7
1160	D	28	Very low	31.9	Very low	164 Å²	164	141.6 Å²	141.6	88%	0.877	78%	0.777	S	S	*	*				-156.8	176.9	100.9	-127.6	-33.6	0	0	0	112.7
1161	S	31.5	Very low	31.5	Very low	85 Å²	85	140.9 Å²	140.9	59%	0.594	77%	0.771	S	S	*	*			trans	-123.6	152.7	-170.5	65.2	0	0	0	0	115.3
1162	N	29	Very low	30.9	Very low	148 Å²	148	138 Å²	138	79%	0.791	77%	0.773	S	S	*	*			trans	69.7	143.8	-177.7	-45.7	-60	0	0	0	113.1
1163	F	26.3	Very low	30.4	Very low	198 Å²	198	136.7 Å²	136.7	87%	0.868	78%	0.778	S	S	*	*			cis	-148.6	-179.1	47.3	-154.9	-102.9	0	0	0	113.2
1164	S	27.8	Very low	30	Very low	85 Å²	85	139.1 Å²	139.1	59%	0.594	78%	0.782	S	S	*	*			trans	-91.9	152.2	-170.8	59	0	0	0	0	116.3
1165	A	30.3	Very low	29.8	Very low	101 Å²	101	145.9 Å²	145.9	84%	0.835	80%	0.799	S	S	*	*			trans	60.7	122.1	143.9	0	0	0	0	0	120.4
1166	A	27.4	Very low	29.8	Very low	99 Å²	99	143.8 Å²	143.8	82%	0.818	80%	0.797	S	S	*	*			trans	-149.1	107	144.7	0	0	0	0	0	109.1
1167	E	34.2	Very low	30.1	Very low	194 Å²	194	141.7 Å²	141.7	91%	0.907	79%	0.792	S	S	*	*			trans	-77.8	142.5	159.6	-66.5	173.7	129.8	0	0	108.4
1168	T	28.2	Very low	29.9	Very low	147 Å²	147	145.3 Å²	145.3	90%	0.902	80%	0.797	S	S	*	*			trans	-155.4	156.7	150.9	-15.8	0	0	0	0	109.8
1169	E	31.3	Very low	29.5	Very low	156 Å²	156	145.1 Å²	145.1	73%	0.729	79%	0.79	S	S	*	*			trans	-131.6	177.2	-153.9	-165.5	-179	-159.3	0	0	110.1
1170	F	31.9	Very low	29.1	Very low	155 Å²	155	150.9 Å²	150.9	68%	0.68	80%	0.798	S	S	*	*			trans	69.4	152	167.8	-76.1	-77.3	0	0	0	117.2
1171	E	26.7	Very low	29.1	Very low	166 Å²	166	147.8 Å²	147.8	78%	0.776	78%	0.782	S	S	*	*			cis	-142.9	167.3	-7.1	-165.8	144.1	-148.7	0	0	110.7
1172	A	31.9	Very low	28.8	Very low	91 Å²	91	151.9 Å²	151.9	75%	0.752	80%	0.795	S	S	*	*			trans	-90.9	145.5	172.2	0	0	0	0	0	112.3
1173	T	26.4	Very low	28.7	Very low	143 Å²	143	153.3 Å²	153.3	88%	0.877	79%	0.794	S	S	*	*			trans	-116.8	128.9	162.1	45.1	0	0	0	0	110.8
1174	K	29.8	Very low	28.8	Very low	205 Å²	205	157.1 Å²	157.1	89%	0.891	81%	0.811	S	S	*	*			trans	-82.3	141.2	162	-77.2	178.6	174.4	176.5	0	108.5
1175	E	26	Very low	28.8	Very low	193 Å²	193	160.7 Å²	160.7	90%	0.902	82%	0.822	S	S	*	*			trans	-153.1	148.4	141.3	-124.5	169.4	-138.2	0	0	111.6
1176	T	30.8	Very low	28.8	Very low	131 Å²	131	163.8 Å²	163.8	80%	0.804	82%	0.821	S	S	*	*			trans	-148.5	138.6	173.6	54.9	0	0	0	0	106.4
1177	P	36.9	Very low	28.8	Very low	110 Å²	110	167.4 Å²	167.4	71%	0.714	82%	0.821	S	S	*	*				-152.7	159.9	98.5	39	-21.7	0	0	0	117.2
1178	Q	26.1	Very low	28.5	Very low	183 Å²	183	165.9 Å²	165.9	86%	0.855	82%	0.816	S	S	*	*			trans	43.9	110.1	139.6	-64.5	178.6	-48.7	0	0	122.3
1179	Y	26.6	Very low	28.5	Very low	167 Å²	167	167.1 Å²	167.1	66%	0.655	81%	0.811	S	S	*	*				65.5	121.4	109.1	-152.9	-85.3	0	0	0	121.4	D1181	Y1179-D1181 HydrophobicContact CE1-CB 4.35Å; Y1179-D1181 VanDerWaalsContact CE1-OD2 3.23Å; Y1179-D1181 WeakPolarHBondContact CE1-OD2 3.23Å; Y1179-D1181 VanDerWaalsContact CZ-OD2 3.26Å; Y1179-D1181 PolarHBondContact OH-OD1 2.6Å; Y1179-D1181 PolarHBondContact OH-OD2 3.15Å
1180	W	24.7	Very low	28.4	Very low	247 Å²	247	167.8 Å²	167.8	94%	0.936	82%	0.816	S	S	*	*			trans	-145.6	134.2	138.3	-87.4	106	0	0	0	110.6
1181	D	26.7	Very low	28.1	Very low	100 Å²	100	168.7 Å²	168.7	54%	0.535	83%	0.826	S	S	.	*			trans	-72.5	143	166.1	-78.8	-57.7	0	0	0	111.4	Y1179	Y1179-D1181 HydrophobicContact CE1-CB 4.35Å; Y1179-D1181 VanDerWaalsContact CE1-OD2 3.23Å; Y1179-D1181 WeakPolarHBondContact CE1-OD2 3.23Å; Y1179-D1181 VanDerWaalsContact CZ-OD2 3.26Å; Y1179-D1181 PolarHBondContact OH-OD1 2.6Å; Y1179-D1181 PolarHBondContact OH-OD2 3.15Å
1182	I	26.1	Very low	28.2	Very low	171 Å²	171	168.9 Å²	168.9	88%	0.877	83%	0.83	S	S	*	*				-139.5	143.3	129.2	-63.3	-168.4	0	0	0	108.1
1183	K	26.5	Very low	27.9	Very low	177 Å²	177	175.4 Å²	175.4	77%	0.77	84%	0.836	S	S	*	*			trans	-88.7	157.5	-175.3	-50.8	172.3	-179.1	177.7	0	112.8
1184	F	28.4	Very low	28.1	Very low	278 Å²	278	178.4 Å²	178.4	100%	1.219	83%	0.832	S	S	*	*				-144	0	104.8	-119.6	-75.7	0	0	0	111.1

Retrieved 1,184 of 1,184 residues in 633.9 ms (Link to these results)

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