A0A5K4F7Z0_SCHMA Loading...

SEA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7Z0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 856 aa.

						>A0A5K4F7Z0_SCHMA|A0A5K4F7Z0
MEISVINLLSEIVNTSATVPQVNTTTSFDTSQTSSTGQTQIFTTDRTPATFTSTPSTSTSTPTTLTDNQTSLTSTSSSKLTESVRTTSVPTNITTSSTVATNTSATVPQVNTTTSFDTSQTSSTGQTQIFTTDRTPATFTSTPSTSTSTPTTLTDNQTSLTSTSSSKLTESVRTTSVPTNITTSSTVATNTSATVPQVNTTTSFDTSQTSSTGQTQIFTTDRTPATFTSTPSTSTSTPTTLTDNQTSLTSTSSSKLTESVRTTSVPTNITTSSTVATNTSATVPQVNTTTSFDTSQTSSTGQTQIFTTDRTPATFTSTPSTSTSTPTTLTDNQTSLTSTSSSKLTESVRTTSVPTNITTSSTVATNTSATVPQVNTTTSFDTSQTSSTGQTQIFTTDRTPATFTSTPSTSTSTPTTLTDNQTSLTSTSSSKLTESVRTTSVPTNITTSSTVATNTSATVPQVNTTTSFDTSQTSSTGQTQIFTTDRTPATFTSTPSTSTSTPTTLTDNQTSLTSTSSSKLTESVRTTSVPTNITTSSTVATNTTRTVAENSTLSTIKASFTTSTSSMELNTSTTISVLTTIVSTDKLTERTPTFSSQSTQSITDLITTASTLTTTETTTTTTIYVGRVSTTFQVKAIIYAFSTGKYVTWSNDYADKTSSAYKTLSTNYCSLLLQSILTENTRITQGATCTLNRFIRSTLNLQSKRQIQNSNNNTTTDAVQGDAQIELQTLAGSQLNQAQFSQLLFNGYQKLNLSSGNYLSGIESTRISPTITCSQTRSLCGEHASCRNTDNGVTCTCDPMWKDLNPSDPGKNCTLHPGTIALIVFAAILLTIAIIALIYFIIRTESIKQLRLKQMT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	29.3	Very low	238 Å²	238	149.7 Å²	149.7	100%	1.172	80%	0.802	S	S	*	*				0	98.6	0	-171.6	-178.5	-72.6	0	0	105.5
2	E	28.3	Very low	29.7	Very low	188 Å²	188	147.8 Å²	147.8	88%	0.879	79%	0.789	S	S	*	*			trans	-104.8	128.3	179.8	-161	177.2	-144.1	0	0	107
3	I	31.6	Very low	30	Very low	157 Å²	157	143.6 Å²	143.6	81%	0.805	77%	0.772	S	S	*	*			trans	-132.6	121	162.3	-70.7	-179.3	0	0	0	107
4	S	30.2	Very low	30.8	Very low	100 Å²	100	138.9 Å²	138.9	70%	0.699	75%	0.746	S	S	*	*			trans	-63.1	166.7	170.2	-165.8	0	0	0	0	112.3
5	V	29.1	Very low	31.3	Very low	117 Å²	117	132.9 Å²	132.9	71%	0.709	72%	0.716	S	S	*	*			trans	169.7	112.8	131.5	154.2	0	0	0	0	112.4
6	I	28.8	Very low	31.8	Very low	128 Å²	128	129.5 Å²	129.5	66%	0.656	71%	0.706	S	S	*	*				59.7	121.5	126.2	-53.2	177.6	0	0	0	120.1
7	N	27.1	Very low	32.4	Very low	135 Å²	135	122.9 Å²	122.9	72%	0.722	67%	0.673	S	S	*	*				179.9	129.5	102.6	-117.7	-16.5	0	0	0	116.2
8	L	28	Very low	32.7	Very low	142 Å²	142	121.8 Å²	121.8	74%	0.743	67%	0.671	S	S	*	*			trans	36.2	126.3	139.4	-91.4	84.1	0	0	0	122.3
9	L	26.1	Very low	33.2	Very low	152 Å²	152	116.2 Å²	116.2	80%	0.796	64%	0.64	S	S	*	*				176.7	112.1	111.4	-102.8	122.8	0	0	0	111.1	E11	L9-E11 PolarHBondContact O-N 3.29Å
10	S	31.9	Very low	33.3	Very low	121 Å²	121	115 Å²	115	85%	0.846	64%	0.638	S	S	*	*			trans	50	44.2	156.9	-41.2	0	0	0	0	117.8	I12	S10-I12 PolarHBondContact O-N 3.33Å
11	E	27.9	Very low	33.5	Very low	169 Å²	169	115.9 Å²	115.9	79%	0.79	64%	0.637	S	S	*	*			trans	-73.6	127.2	-178.3	-98	173.8	156.3	0	0	112.1	L9 V13	L9-E11 PolarHBondContact O-N 3.29Å; E11-V13 WeakPolarHBondContact O-CG2 3.45Å; E11-V13 PolarHBondContact O-N 3.24Å
12	I	33.6	Very low	33.8	Very low	127 Å²	127	106.7 Å²	106.7	65%	0.651	60%	0.595	S	S	*	*			trans	-46.9	95.6	148.3	-62.1	163	0	0	0	105.5	S10 N14	S10-I12 PolarHBondContact O-N 3.33Å; I12-N14 PolarHBondContact O-N 2.81Å
13	V	34.3	Very low	34.5	Very low	93 Å²	93	103.6 Å²	103.6	56%	0.564	58%	0.584	S	S	*	*			trans	-72.3	92.5	178.5	-171.7	0	0	0	0	106.1	E11 T15	E11-V13 WeakPolarHBondContact O-CG2 3.45Å; E11-V13 PolarHBondContact O-N 3.24Å; V13-T15 HydrophobicContact CG1-CG2 3.66Å; V13-T15 PolarHBondContact O-N 3.01Å
14	N	40.4	Very low	34.8	Very low	78 Å²	78	102.5 Å²	102.5	42%	0.417	59%	0.585	S	S	.	*			trans	-60.5	95.8	155.1	-80.2	-8.9	0	0	0	105.8	I12 S16 Q38	I12-N14 PolarHBondContact O-N 2.81Å; N14-S16 PolarHBondContact O-N 3.25Å; N14-S16 VanDerWaalsContact O-N 3.08Å; N14-Q38 WeakPolarHBondContact OD1-CB 3.22Å
15	T	39.4	Very low	34.9	Very low	48 Å²	48	100.1 Å²	100.1	29%	0.294	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.8	98.3	169.5	47.7	0	0	0	0	107.3	V13	V13-T15 HydrophobicContact CG1-CG2 3.66Å; V13-T15 PolarHBondContact O-N 3.01Å
16	S	39.1	Very low	35.7	Very low	79 Å²	79	101 Å²	101	55%	0.552	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.3	110.9	162.7	55.1	0	0	0	0	108.4	N14	N14-S16 PolarHBondContact O-N 3.25Å; N14-S16 VanDerWaalsContact O-N 3.08Å
17	A	40.9	Very low	36.4	Very low	18 Å²	18	98.3 Å²	98.3	15%	0.149	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.4	116	159.6	0	0	0	0	0	108.4	Q32	A17-Q32 HydrophobicContact CB-CG 4.48Å
18	T	37.7	Very low	37.2	Very low	103 Å²	103	95.2 Å²	95.2	63%	0.632	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.5	158.8	-51.5	0	0	0	0	106.4	P20	T18-P20 WeakPolarHBondContact O-CD 3.34Å
19	V	42.3	Very low	37.9	Very low	15 Å²	15	93.9 Å²	93.9	9%	0.091	54%	0.539	C	S	.	.			trans	-70.2	119.7	169.2	178.7	0	0	0	0	107.1	F28 T43 F51	V19-F28 HydrophobicContact CB-CE1 4.27Å; V19-F28 HydrophobicContact CG1-CD1 3.67Å; V19-F28 HydrophobicContact CG1-CE1 3.35Å; V19-F28 HydrophobicContact CG1-CZ 4.12Å; V19-F28 HydrophobicContact CG2-CD1 4.45Å; V19-F28 HydrophobicContact CG2-CE1 3.9Å; V19-T43 HydrophobicContact CB-CG2 4.49Å; V19-T43 HydrophobicContact CG2-CG2 4.3Å; V19-F51 HydrophobicContact CG2-CE1 3.93Å; V19-F51 HydrophobicContact CG2-CZ 4.05Å
20	P	35.8	Very low	38.9	Very low	92 Å²	92	87.7 Å²	87.7	60%	0.597	51%	0.507	S	S	*	.			trans	-63.8	148.2	177.4	25.3	-31.3	0	0	0	110.1	T18 V22	T18-P20 WeakPolarHBondContact O-CD 3.34Å; P20-V22 VanDerWaalsContact O-CG2 3.24Å; P20-V22 WeakPolarHBondContact O-CG2 3.49Å; P20-V22 PolarHBondContact O-N 3.39Å; P20-V22 VanDerWaalsContact O-N 3.13Å
21	Q	36.7	Very low	39.6	Very low	133 Å²	133	86.7 Å²	86.7	62%	0.621	50%	0.5	S	S	*	.			trans	-61.2	114.5	179	-160.9	-166.4	-8.3	0	0	109.9	N23	Q21-N23 PolarHBondContact NE2-OD1 3.01Å
22	V	40.1	Very low	40.6	Very low	46 Å²	46	80.4 Å²	80.4	28%	0.279	47%	0.471	S	S	.	.			trans	-114.3	88.3	178.3	-157	0	0	0	0	109.8	P20 T24 T25 D45	P20-V22 VanDerWaalsContact O-CG2 3.24Å; P20-V22 WeakPolarHBondContact O-CG2 3.49Å; P20-V22 PolarHBondContact O-N 3.39Å; P20-V22 VanDerWaalsContact O-N 3.13Å; V22-T24 PolarHBondContact O-N 3.01Å; V22-T25 WeakPolarHBondContact CB-OG1 3.37Å; V22-T25 WeakPolarHBondContact CG1-OG1 3.36Å; V22-D45 PolarHBondContact N-OD2 3.08Å
23	N	43.7	Very low	41.1	Very low	123 Å²	123	79.8 Å²	79.8	66%	0.658	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	0.6	-176.7	-78.3	-10.3	0	0	0	115.8	Q21	Q21-N23 PolarHBondContact NE2-OD1 3.01Å
24	T	37.2	Very low	41.9	Very low	133 Å²	133	75.8 Å²	75.8	82%	0.816	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	16.2	-173	54.9	0	0	0	0	115.1	V22	V22-T24 PolarHBondContact O-N 3.01Å
25	T	33.6	Very low	42	Very low	50 Å²	50	76.2 Å²	76.2	31%	0.307	46%	0.458	S	S	.	.			trans	-103.6	134.4	176.8	-20.2	0	0	0	0	111.4	V22 S27 T47	V22-T25 WeakPolarHBondContact CB-OG1 3.37Å; V22-T25 WeakPolarHBondContact CG1-OG1 3.36Å; T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 WeakPolarHBondContact CG2-O 3.42Å; T25-T47 WeakPolarHBondContact O-CG2 3.3Å
26	T	44.2	Very low	42.1	Very low	136 Å²	136	78.7 Å²	78.7	83%	0.834	47%	0.473	S	S	*	.	S	Bend	trans	-76.8	-19.6	-179	47.6	0	0	0	0	113.8
27	S	43.7	Very low	42.4	Very low	71 Å²	71	75.4 Å²	75.4	50%	0.497	45%	0.452	S	S	.	.			trans	-163.7	146.2	173.5	58.3	0	0	0	0	108.4	T25	T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 WeakPolarHBondContact CG2-O 3.42Å
28	F	43.9	Very low	42.5	Very low	71 Å²	71	77.6 Å²	77.6	31%	0.311	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.6	174.7	-171.6	-106.4	0	0	0	110.7	V19 T30 A49 T50	V19-F28 HydrophobicContact CB-CE1 4.27Å; V19-F28 HydrophobicContact CG1-CD1 3.67Å; V19-F28 HydrophobicContact CG1-CE1 3.35Å; V19-F28 HydrophobicContact CG1-CZ 4.12Å; V19-F28 HydrophobicContact CG2-CD1 4.45Å; V19-F28 HydrophobicContact CG2-CE1 3.9Å; F28-T30 WeakPolarHBondContact CD1-OG1 3.25Å; F28-T30 WeakPolarHBondContact CE1-OG1 3.35Å; F28-A49 VanDerWaalsContact O-CA 3.23Å; F28-A49 WeakPolarHBondContact O-CA 3.48Å; F28-A49 VanDerWaalsContact O-CB 3.26Å; F28-A49 WeakPolarHBondContact O-CB 3.37Å; F28-T50 PolarHBondContact O-N 3.49Å
29	D	44.3	Very low	42.7	Very low	114 Å²	114	72.8 Å²	72.8	61%	0.61	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	127	175.7	-69.5	-21.6	0	0	0	109.4	T50	D29-T50 WeakPolarHBondContact CA-O 3.36Å; D29-T50 WeakPolarHBondContact OD1-CB 3.48Å; D29-T50 PolarHBondContact OD1-OG1 3.27Å
30	T	45.3	Very low	42.7	Very low	22 Å²	22	75 Å²	75	14%	0.135	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.4	172.1	-51	0	0	0	0	110.1	F28 T50 F51 T52	F28-T30 WeakPolarHBondContact CD1-OG1 3.25Å; F28-T30 WeakPolarHBondContact CE1-OG1 3.35Å; T30-T50 PolarHBondContact N-O 3.28Å; T30-T50 VanDerWaalsContact N-O 3.15Å; T30-F51 VanDerWaalsContact CB-CD1 3.48Å; T30-F51 HydrophobicContact CG2-CD1 4.23Å; T30-F51 HydrophobicContact CG2-CE1 4.04Å; T30-F51 WeakPolarHBondContact O-CA 3.15Å; T30-F51 WeakPolarHBondContact OG1-CE1 3.27Å; T30-T52 PolarHBondContact O-N 3.17Å
31	S	46.4	Very low	43	Very low	100 Å²	100	70.8 Å²	70.8	70%	0.699	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.1	169.9	58.6	0	0	0	0	111.1	T52	S31-T52 CarbonylContact C-O 3.57Å; S31-T52 WeakPolarHBondContact CA-O 3.44Å
32	Q	49.3	Very low	43	Very low	36 Å²	36	68.8 Å²	68.8	17%	0.168	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.6	173	-76	-136.5	-26.2	0	0	111.8	A17 T39 T52 S53 T54	A17-Q32 HydrophobicContact CB-CG 4.48Å; Q32-T39 HydrophobicContact CB-CG2 4.33Å; Q32-T52 PolarHBondContact N-O 2.87Å; Q32-S53 CarbonylContact O-C 3.57Å; Q32-S53 WeakPolarHBondContact O-CA 3.43Å; Q32-T54 PolarHBondContact O-N 3.25Å
33	T	45.2	Very low	43	Very low	115 Å²	115	66.9 Å²	66.9	71%	0.706	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	117	170.4	19	0	0	0	0	108.7
34	S	49.6	Very low	42.8	Very low	8 Å²	8	66 Å²	66	6%	0.056	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.8	170.3	88.6	0	0	0	0	109.8	G37 S56	S34-G37 PolarHBondContact OG-O 3.21Å; S34-S56 WeakPolarHBondContact O-CB 3.48Å; S34-S56 PolarHBondContact O-N 2.85Å; S34-S56 PolarHBondContact O-OG 3.45Å
35	S	44.4	Very low	42.9	Very low	87 Å²	87	60.7 Å²	60.7	61%	0.608	36%	0.355	S	S	*	.	S	Bend	trans	-82	-32.7	177.4	48.5	0	0	0	0	112.4	S56 T57	S35-S56 WeakPolarHBondContact O-CB 3.43Å; S35-T57 PolarHBondContact O-OG1 3.42Å
36	T	41.3	Very low	43.4	Very low	100 Å²	100	67.7 Å²	67.7	61%	0.613	38%	0.376	S	S	*	.	S	Bend	trans	-153.2	27.7	-173.6	57.1	0	0	0	0	114.9
37	G	45	Very low	43.3	Very low	10 Å²	10	62.8 Å²	62.8	10%	0.103	35%	0.346	C	S	.	.	S	Bend	trans	-141.2	155.6	-168.6	0	0	0	0	0	116.2	S34	S34-G37 PolarHBondContact OG-O 3.21Å
38	Q	42.5	Very low	43.4	Very low	64 Å²	64	62.5 Å²	62.5	30%	0.299	34%	0.343	S	S	.	.			trans	-66	131	173.5	-58.8	170.4	32.5	0	0	109.9	N14 T61	N14-Q38 WeakPolarHBondContact OD1-CB 3.22Å; Q38-T61 VanDerWaalsContact CG-OG1 3.29Å; Q38-T61 WeakPolarHBondContact CG-OG1 3.42Å; Q38-T61 PolarHBondContact OE1-OG1 3.09Å
39	T	42.3	Very low	43.5	Very low	3 Å²	3	59.5 Å²	59.5	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.7	174.4	-57.8	0	0	0	0	109.7	Q32 I41 T63	Q32-T39 HydrophobicContact CB-CG2 4.33Å; T39-I41 HydrophobicContact CG2-CD1 4.25Å; T39-I41 HydrophobicContact CG2-CG1 3.92Å; T39-T63 PolarHBondContact O-OG1 3.2Å
40	Q	41.1	Very low	43.7	Very low	62 Å²	62	56.4 Å²	56.4	29%	0.29	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.2	169.2	-66.6	-171	95.9	0	0	108.5	F42	Q40-F42 HydrophobicContact CB-CD2 4.49Å; Q40-F42 HydrophobicContact CB-CE2 3.86Å; Q40-F42 HydrophobicContact CB-CZ 4.48Å
41	I	42	Very low	43.8	Very low	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.4	178.7	-54.3	178.4	0	0	0	106.5	T39 T43 F51 T63	T39-I41 HydrophobicContact CG2-CD1 4.25Å; T39-I41 HydrophobicContact CG2-CG1 3.92Å; I41-T43 HydrophobicContact CG2-CG2 4.22Å; I41-F51 HydrophobicContact CD1-CB 4.26Å; I41-F51 HydrophobicContact CD1-CD1 3.71Å; I41-F51 HydrophobicContact CD1-CE1 4.5Å; I41-F51 HydrophobicContact CD1-CG 4.23Å; I41-F51 HydrophobicContact CG2-CD1 3.7Å; I41-F51 HydrophobicContact CG2-CE1 3.48Å; I41-F51 VanDerWaalsContact CG2-CE1 3.48Å; I41-F51 HydrophobicContact CG2-CG 4.42Å; I41-F51 HydrophobicContact CG2-CZ 4.06Å; I41-T63 HydrophobicContact CB-CG2 3.62Å; I41-T63 HydrophobicContact CD1-CG2 4.2Å; I41-T63 HydrophobicContact CG1-CG2 3.87Å
42	F	38.1	Very low	43.9	Very low	91 Å²	91	53.2 Å²	53.2	40%	0.399	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.3	170.9	-64.3	-84	0	0	0	107.8	Q40	Q40-F42 HydrophobicContact CB-CD2 4.49Å; Q40-F42 HydrophobicContact CB-CE2 3.86Å; Q40-F42 HydrophobicContact CB-CZ 4.48Å
43	T	40	Very low	43.9	Very low	6 Å²	6	51.8 Å²	51.8	4%	0.037	29%	0.286	C	S	.	.			trans	-109.8	143.2	165.7	68.8	0	0	0	0	108.2	V19 I41 F51 T66 Q69	V19-T43 HydrophobicContact CB-CG2 4.49Å; V19-T43 HydrophobicContact CG2-CG2 4.3Å; I41-T43 HydrophobicContact CG2-CG2 4.22Å; T43-F51 HydrophobicContact CG2-CE1 4.11Å; T43-F51 HydrophobicContact CG2-CE2 3.59Å; T43-F51 HydrophobicContact CG2-CZ 3.21Å; T43-T66 VanDerWaalsContact O-O 3.13Å; T43-T66 PolarHBondContact OG1-O 3.26Å; T43-Q69 PolarHBondContact OG1-NE2 2.9Å
44	T	38.6	Very low	44.2	Very low	106 Å²	106	49 Å²	49	65%	0.65	27%	0.269	S	S	*	.			trans	-114.9	3.8	168.9	42.9	0	0	0	0	111.6
45	D	40.3	Very low	44.2	Very low	20 Å²	20	49.1 Å²	49.1	11%	0.107	27%	0.27	C	S	.	.			trans	-79.6	144.7	-178.5	-153.6	-29.8	0	0	0	111	V22 T47	V22-D45 PolarHBondContact N-OD2 3.08Å; D45-T47 VanDerWaalsContact C-N 3.34Å; D45-T47 PolarHBondContact OD1-N 3.43Å; D45-T47 VanDerWaalsContact OD1-N 3.14Å; D45-T47 PolarHBondContact OD1-OG1 3.13Å; D45-T47 VanDerWaalsContact OD1-OG1 3.05Å; D45-T47 PolarHBondContact OD2-OG1 3.24Å
46	R	44.4	Very low	44.3	Very low	197 Å²	197	47.6 Å²	47.6	74%	0.743	26%	0.259	S	S	*	.			trans	-89.8	-0.3	176.2	-70.3	-175.9	177.2	140.6	-0.1	112.7	N68	R46-N68 WeakPolarHBondContact O-CB 3.32Å; R46-N68 PolarHBondContact O-ND2 3.07Å
47	T	41.6	Very low	44.4	Very low	34 Å²	34	46.1 Å²	46.1	21%	0.209	25%	0.25	C	C	.	.	S	Bend	trans	-82	137.2	178.2	50.6	0	0	0	0	111.3	T25 D45 A49	T25-T47 WeakPolarHBondContact O-CG2 3.3Å; D45-T47 VanDerWaalsContact C-N 3.34Å; D45-T47 PolarHBondContact OD1-N 3.43Å; D45-T47 VanDerWaalsContact OD1-N 3.14Å; D45-T47 PolarHBondContact OD1-OG1 3.13Å; D45-T47 VanDerWaalsContact OD1-OG1 3.05Å; D45-T47 PolarHBondContact OD2-OG1 3.24Å; T47-A49 PolarHBondContact O-N 3.39Å
48	P	45.1	Very low	44	Very low	65 Å²	65	49.3 Å²	49.3	42%	0.422	27%	0.271	S	S	.	.			trans	-57.5	132.1	175.2	-24	33.9	0	0	0	111.5	T70	P48-T70 HydrophobicContact CB-CG2 4.09Å
49	A	47.1	Very low	43.8	Very low	7 Å²	7	50.5 Å²	50.5	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.5	-177.9	0	0	0	0	0	111.3	F28 T47 F51	F28-A49 VanDerWaalsContact O-CA 3.23Å; F28-A49 WeakPolarHBondContact O-CA 3.48Å; F28-A49 VanDerWaalsContact O-CB 3.26Å; F28-A49 WeakPolarHBondContact O-CB 3.37Å; T47-A49 PolarHBondContact O-N 3.39Å; A49-F51 HydrophobicContact CB-CD2 4.25Å; A49-F51 HydrophobicContact CB-CE2 3.52Å; A49-F51 HydrophobicContact CB-CZ 4.13Å
50	T	47.5	Very low	43.6	Very low	49 Å²	49	51 Å²	51	30%	0.301	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127	172	-42.4	0	0	0	0	109.1	F28 D29 T30	F28-T50 PolarHBondContact O-N 3.49Å; D29-T50 WeakPolarHBondContact CA-O 3.36Å; D29-T50 WeakPolarHBondContact OD1-CB 3.48Å; D29-T50 PolarHBondContact OD1-OG1 3.27Å; T30-T50 PolarHBondContact N-O 3.28Å; T30-T50 VanDerWaalsContact N-O 3.15Å
51	F	47.9	Very low	43.4	Very low	1 Å²	1	50.9 Å²	50.9	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.7	177.5	-74	-84.9	0	0	0	111	V19 T30 I41 T43 A49 L65 S71 L72 T73	V19-F51 HydrophobicContact CG2-CE1 3.93Å; V19-F51 HydrophobicContact CG2-CZ 4.05Å; T30-F51 VanDerWaalsContact CB-CD1 3.48Å; T30-F51 HydrophobicContact CG2-CD1 4.23Å; T30-F51 HydrophobicContact CG2-CE1 4.04Å; T30-F51 WeakPolarHBondContact O-CA 3.15Å; T30-F51 WeakPolarHBondContact OG1-CE1 3.27Å; I41-F51 HydrophobicContact CD1-CB 4.26Å; I41-F51 HydrophobicContact CD1-CD1 3.71Å; I41-F51 HydrophobicContact CD1-CE1 4.5Å; I41-F51 HydrophobicContact CD1-CG 4.23Å; I41-F51 HydrophobicContact CG2-CD1 3.7Å; I41-F51 HydrophobicContact CG2-CE1 3.48Å; I41-F51 VanDerWaalsContact CG2-CE1 3.48Å; I41-F51 HydrophobicContact CG2-CG 4.42Å; I41-F51 HydrophobicContact CG2-CZ 4.06Å; T43-F51 HydrophobicContact CG2-CE1 4.11Å; T43-F51 HydrophobicContact CG2-CE2 3.59Å; T43-F51 HydrophobicContact CG2-CZ 3.21Å; A49-F51 HydrophobicContact CB-CD2 4.25Å; A49-F51 HydrophobicContact CB-CE2 3.52Å; A49-F51 HydrophobicContact CB-CZ 4.13Å; F51-L65 HydrophobicContact CD2-CD2 4.45Å; F51-S71 PolarHBondContact N-O 3.33Å; F51-L72 HydrophobicContact CB-CD1 3.56Å; F51-T73 PolarHBondContact O-N 2.98Å
52	T	47.7	Very low	43.1	Very low	54 Å²	54	53.1 Å²	53.1	33%	0.331	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.1	173.3	-56.1	0	0	0	0	110.3	T30 S31 Q32 T73	T30-T52 PolarHBondContact O-N 3.17Å; S31-T52 CarbonylContact C-O 3.57Å; S31-T52 WeakPolarHBondContact CA-O 3.44Å; Q32-T52 PolarHBondContact N-O 2.87Å; T52-T73 CarbonylContact C-O 3.14Å; T52-T73 VanDerWaalsContact CA-O 3.24Å; T52-T73 WeakPolarHBondContact CA-O 3.3Å
53	S	49.8	Very low	43.3	Very low	6 Å²	6	49.3 Å²	49.3	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.2	177.2	68.2	0	0	0	0	112	Q32 P55 T73 S74 T75	Q32-S53 CarbonylContact O-C 3.57Å; Q32-S53 WeakPolarHBondContact O-CA 3.43Å; S53-P55 VanDerWaalsContact C-CD 3.47Å; S53-P55 WeakPolarHBondContact O-CD 3.32Å; S53-T73 PolarHBondContact N-O 2.59Å; S53-S74 CarbonylContact O-C 3.55Å; S53-S74 WeakPolarHBondContact O-CA 3.25Å; S53-S74 WeakPolarHBondContact OG-CB 3.43Å; S53-T75 PolarHBondContact O-N 3.13Å
54	T	51.1	Low	43.2	Very low	56 Å²	56	51 Å²	51	34%	0.344	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	75.6	176.8	-38.1	0	0	0	0	111.6	Q32 T75	Q32-T54 PolarHBondContact O-N 3.25Å; T54-T75 CarbonylContact C-O 3.59Å; T54-T75 VanDerWaalsContact CA-O 3.25Å; T54-T75 WeakPolarHBondContact CA-O 3.36Å; T54-T75 HydrophobicContact CG2-CG2 4.44Å
55	P	50.4	Low	43.4	Very low	11 Å²	11	46.1 Å²	46.1	7%	0.071	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129.8	176	25.5	-31.6	0	0	0	112.6	S53 T75 S76 L80	S53-P55 VanDerWaalsContact C-CD 3.47Å; S53-P55 WeakPolarHBondContact O-CD 3.32Å; P55-T75 VanDerWaalsContact CD-O 3.28Å; P55-T75 WeakPolarHBondContact CD-O 3.43Å; P55-S76 WeakPolarHBondContact O-CA 3.46Å; P55-L80 HydrophobicContact CG-CD1 4.05Å
56	S	46.2	Very low	43.4	Very low	56 Å²	56	47.2 Å²	47.2	39%	0.392	28%	0.276	S	S	.	.			trans	-84.9	-23.3	-171.2	-48.9	0	0	0	0	115	S34 S35 S77	S34-S56 WeakPolarHBondContact O-CB 3.48Å; S34-S56 PolarHBondContact O-N 2.85Å; S34-S56 PolarHBondContact O-OG 3.45Å; S35-S56 WeakPolarHBondContact O-CB 3.43Å; S56-S77 WeakPolarHBondContact O-CB 3.34Å; S56-S77 PolarHBondContact O-OG 3.3Å
57	T	43.1	Very low	43.4	Very low	68 Å²	68	39.7 Å²	39.7	42%	0.417	25%	0.251	S	S	.	.	S	Bend	trans	-155.1	140	178.8	50.2	0	0	0	0	113.9	S35	S35-T57 PolarHBondContact O-OG1 3.42Å
58	S	36.7	Very low	43.5	Very low	77 Å²	77	40.9 Å²	40.9	54%	0.538	26%	0.256	S	S	.	.	S	Bend	trans	26.1	119	167.4	67.7	0	0	0	0	120.4	S78	S58-S78 PolarHBondContact N-OG 2.77Å
59	T	38.7	Very low	43.7	Very low	89 Å²	89	38.1 Å²	38.1	55%	0.546	24%	0.237	S	C	.	.			trans	72.6	80.6	162.3	62.2	0	0	0	0	116.2
60	S	38	Very low	43.7	Very low	15 Å²	15	40.2 Å²	40.2	11%	0.105	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-83.1	120	160.2	63	0	0	0	0	110	T81	S60-T81 PolarHBondContact OG-N 2.93Å; S60-T81 PolarHBondContact OG-O 3.41Å
61	T	37.7	Very low	43.8	Very low	58 Å²	58	39.1 Å²	39.1	36%	0.356	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-78.4	158.3	167.2	1.6	0	0	0	0	109.5	Q38 T63	Q38-T61 VanDerWaalsContact CG-OG1 3.29Å; Q38-T61 WeakPolarHBondContact CG-OG1 3.42Å; Q38-T61 PolarHBondContact OE1-OG1 3.09Å; T61-T63 PolarHBondContact O-N 2.83Å
62	P	35.5	Very low	43.9	Very low	50 Å²	50	39.2 Å²	39.2	33%	0.325	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-49.6	124.2	-166.2	-28.6	34.5	0	0	0	115.1	T64	P62-T64 PolarHBondContact O-N 2.89Å
63	T	42.3	Very low	44.1	Very low	10 Å²	10	38.3 Å²	38.3	6%	0.061	24%	0.239	C	C	.	.			trans	-77	99.2	166.1	-51.3	0	0	0	0	109.4	T39 I41 T61 L65 S83	T39-T63 PolarHBondContact O-OG1 3.2Å; I41-T63 HydrophobicContact CB-CG2 3.62Å; I41-T63 HydrophobicContact CD1-CG2 4.2Å; I41-T63 HydrophobicContact CG1-CG2 3.87Å; T61-T63 PolarHBondContact O-N 2.83Å; T63-L65 HydrophobicContact CG2-CD2 4.04Å; T63-L65 PolarHBondContact O-N 3.41Å; T63-L65 VanDerWaalsContact O-N 3.09Å; T63-S83 CarbonylContact C-O 3.54Å
64	T	37.9	Very low	44.3	Very low	42 Å²	42	38.1 Å²	38.1	26%	0.258	24%	0.238	S	C	.	.			trans	-78.2	93.4	-179.4	-54.7	0	0	0	0	111.2	P62 T66 R85	P62-T64 PolarHBondContact O-N 2.89Å; T64-T66 PolarHBondContact O-N 2.96Å; T64-R85 HydrophobicContact CG2-CB 4.28Å
65	L	42.7	Very low	44.3	Very low	3 Å²	3	38 Å²	38	2%	0.016	24%	0.237	C	C	.	.			trans	-74.9	112.3	173.2	-58.8	-179.9	0	0	0	110.7	F51 T63 L72 V84 R85	F51-L65 HydrophobicContact CD2-CD2 4.45Å; T63-L65 HydrophobicContact CG2-CD2 4.04Å; T63-L65 PolarHBondContact O-N 3.41Å; T63-L65 VanDerWaalsContact O-N 3.09Å; L65-L72 HydrophobicContact CD1-CB 4.06Å; L65-L72 HydrophobicContact CD1-CD2 3.9Å; L65-L72 HydrophobicContact CD1-CG 4.44Å; L65-L72 HydrophobicContact CG-CD2 4.41Å; L65-V84 HydrophobicContact CB-CG1 4.28Å; L65-V84 HydrophobicContact CD1-CG1 3.92Å; L65-V84 HydrophobicContact CD1-CG2 3.98Å; L65-V84 HydrophobicContact CG-CG1 4.48Å; L65-R85 CarbonylContact O-C 3.52Å; L65-R85 VanDerWaalsContact O-C 3.29Å
66	T	40.5	Very low	44.4	Very low	43 Å²	43	38 Å²	38	26%	0.264	24%	0.238	S	C	.	.			trans	-99.3	120.3	176.3	-51	0	0	0	0	109.7	T43 T64	T43-T66 VanDerWaalsContact O-O 3.13Å; T43-T66 PolarHBondContact OG1-O 3.26Å; T64-T66 PolarHBondContact O-N 2.96Å
67	D	43.9	Very low	44.6	Very low	39 Å²	39	38.2 Å²	38.2	21%	0.209	24%	0.239	C	C	.	.	S	Bend	trans	67.4	133.2	169	-64.4	-34.6	0	0	0	120.8	Q69 T87 S88	D67-Q69 WeakPolarHBondContact O-CG 3.11Å; D67-Q69 PolarHBondContact O-N 3.12Å; D67-Q69 VanDerWaalsContact O-N 3.16Å; D67-T87 PolarHBondContact OD1-OG1 3.47Å; D67-S88 VanDerWaalsContact CA-OG 3.32Å; D67-S88 WeakPolarHBondContact CA-OG 3.07Å; D67-S88 WeakPolarHBondContact CB-OG 3.32Å; D67-S88 PolarHBondContact OD1-N 3.34Å; D67-S88 PolarHBondContact OD1-OG 2.94Å
68	N	44.6	Very low	44.9	Very low	60 Å²	60	36.7 Å²	36.7	32%	0.321	23%	0.231	S	C	.	.	S	Bend	trans	49.3	31.9	168	-78.7	-2.3	0	0	0	119.2	R46 S88	R46-N68 WeakPolarHBondContact O-CB 3.32Å; R46-N68 PolarHBondContact O-ND2 3.07Å; N68-S88 PolarHBondContact N-OG 3.41Å; N68-S88 PolarHBondContact OD1-OG 3.47Å
69	Q	48.2	Very low	45.4	Very low	6 Å²	6	38.1 Å²	38.1	3%	0.028	23%	0.227	C	C	.	.			trans	-94.4	147.6	178.7	-59.6	-162.5	35.8	0	0	114	T43 D67	T43-Q69 PolarHBondContact OG1-NE2 2.9Å; D67-Q69 WeakPolarHBondContact O-CG 3.11Å; D67-Q69 PolarHBondContact O-N 3.12Å; D67-Q69 VanDerWaalsContact O-N 3.16Å
70	T	47.1	Very low	45.8	Very low	52 Å²	52	34 Å²	34	32%	0.319	20%	0.202	S	C	.	.			trans	-107.9	-27.4	-173.2	43.1	0	0	0	0	114.4	P48 T94	P48-T70 HydrophobicContact CB-CG2 4.09Å; T70-T94 PolarHBondContact O-N 3.38Å
71	S	49.9	Very low	46.3	Very low	26 Å²	26	35 Å²	35	18%	0.182	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	136.2	-177.7	-171.1	0	0	0	0	114.6	F51 T94	F51-S71 PolarHBondContact N-O 3.33Å; S71-T94 CarbonylContact C-O 3.52Å; S71-T94 VanDerWaalsContact CA-O 3.28Å; S71-T94 WeakPolarHBondContact CA-O 3.06Å; S71-T94 PolarHBondContact OG-O 2.92Å
72	L	50.3	Low	46.7	Very low	2 Å²	2	32.7 Å²	32.7	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.2	170.7	-177.9	58.5	0	0	0	109.8	F51 L65 E82 V84 T94 T95 S96	F51-L72 HydrophobicContact CB-CD1 3.56Å; L65-L72 HydrophobicContact CD1-CB 4.06Å; L65-L72 HydrophobicContact CD1-CD2 3.9Å; L65-L72 HydrophobicContact CD1-CG 4.44Å; L65-L72 HydrophobicContact CG-CD2 4.41Å; L72-E82 HydrophobicContact CD2-CG 3.77Å; L72-E82 WeakPolarHBondContact CD2-OE1 3.43Å; L72-E82 VanDerWaalsContact CG-OE1 3.28Å; L72-E82 WeakPolarHBondContact CG-OE1 3.25Å; L72-V84 HydrophobicContact CD2-CG2 4.02Å; L72-T94 PolarHBondContact N-O 3.17Å; L72-T95 HydrophobicContact CB-CG2 4.49Å; L72-T95 CarbonylContact O-C 3.57Å; L72-T95 VanDerWaalsContact O-CA 3.31Å; L72-T95 WeakPolarHBondContact O-CA 3.23Å; L72-S96 PolarHBondContact O-N 2.89Å
73	T	51.5	Low	47.2	Very low	36 Å²	36	31.1 Å²	31.1	22%	0.221	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.4	177.4	-59.6	0	0	0	0	109.5	F51 T52 S53 S96	F51-T73 PolarHBondContact O-N 2.98Å; T52-T73 CarbonylContact C-O 3.14Å; T52-T73 VanDerWaalsContact CA-O 3.24Å; T52-T73 WeakPolarHBondContact CA-O 3.3Å; S53-T73 PolarHBondContact N-O 2.59Å; T73-S96 CarbonylContact C-O 3.47Å; T73-S96 VanDerWaalsContact CA-O 3.32Å; T73-S96 WeakPolarHBondContact CA-O 3.38Å; T73-S96 WeakPolarHBondContact CG2-OG 3.43Å; T73-S96 PolarHBondContact OG1-OG 3.22Å; T73-S96 VanDerWaalsContact OG1-OG 3.1Å
74	S	53	Low	47.4	Very low	2 Å²	2	31 Å²	31	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.1	-175.7	63	0	0	0	0	111.5	S53 L80 E82 S96 S97 T98	S53-S74 CarbonylContact O-C 3.55Å; S53-S74 WeakPolarHBondContact O-CA 3.25Å; S53-S74 WeakPolarHBondContact OG-CB 3.43Å; S74-L80 WeakPolarHBondContact OG-CD2 3.43Å; S74-E82 PolarHBondContact OG-OE2 2.83Å; S74-S96 PolarHBondContact N-O 3.2Å; S74-S97 CarbonylContact O-C 3.53Å; S74-S97 VanDerWaalsContact O-CA 3.23Å; S74-S97 WeakPolarHBondContact O-CA 2.99Å; S74-S97 WeakPolarHBondContact OG-CB 3.09Å; S74-T98 PolarHBondContact O-N 2.92Å
75	T	51.2	Low	47.7	Very low	54 Å²	54	36.8 Å²	36.8	33%	0.331	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.5	179.4	-58.4	0	0	0	0	110.1	S53 T54 P55 T98	S53-T75 PolarHBondContact O-N 3.13Å; T54-T75 CarbonylContact C-O 3.59Å; T54-T75 VanDerWaalsContact CA-O 3.25Å; T54-T75 WeakPolarHBondContact CA-O 3.36Å; T54-T75 HydrophobicContact CG2-CG2 4.44Å; P55-T75 VanDerWaalsContact CD-O 3.28Å; P55-T75 WeakPolarHBondContact CD-O 3.43Å; T75-T98 CarbonylContact C-O 3.32Å; T75-T98 VanDerWaalsContact CA-O 3.29Å; T75-T98 WeakPolarHBondContact CA-O 3.49Å
76	S	54.2	Low	47.8	Very low	11 Å²	11	37 Å²	37	8%	0.077	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.2	-178.9	84.4	0	0	0	0	114.2	P55 T98 V99 A100	P55-S76 WeakPolarHBondContact O-CA 3.46Å; S76-T98 PolarHBondContact N-O 3.45Å; S76-V99 VanDerWaalsContact O-CA 3.26Å; S76-V99 WeakPolarHBondContact O-CA 3.44Å; S76-V99 WeakPolarHBondContact OG-CG1 3.07Å; S76-A100 PolarHBondContact O-N 3.43Å
77	S	50.6	Low	47.9	Very low	59 Å²	59	40 Å²	40	41%	0.413	22%	0.219	S	C	.	.	S	Bend	trans	-85.5	-12.2	-177.1	68.9	0	0	0	0	115.1	S56 A100	S56-S77 WeakPolarHBondContact O-CB 3.34Å; S56-S77 PolarHBondContact O-OG 3.3Å; S77-A100 WeakPolarHBondContact O-CB 3.46Å
78	S	47.7	Very low	48	Very low	36 Å²	36	39.8 Å²	39.8	25%	0.252	22%	0.22	S	C	.	.	S	Bend	trans	-150.4	-41.8	-163.1	46.9	0	0	0	0	116.9	S58 T101	S58-S78 PolarHBondContact N-OG 2.77Å; S78-T101 CarbonylContact C-O 3.55Å; S78-T101 WeakPolarHBondContact CA-OG1 3.42Å; S78-T101 PolarHBondContact O-OG1 2.87Å
79	K	47.9	Very low	47.8	Very low	107 Å²	107	40.6 Å²	40.6	47%	0.465	23%	0.228	S	C	.	.			trans	-168.5	126.9	174.5	-174.8	176.7	178.9	-178	0	109.4
80	L	47.7	Very low	47.5	Very low	4 Å²	4	40.5 Å²	40.5	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.3	173.8	-164.9	109.4	0	0	0	110.5	P55 S74 E82 V99 T103 S104	P55-L80 HydrophobicContact CG-CD1 4.05Å; S74-L80 WeakPolarHBondContact OG-CD2 3.43Å; L80-E82 HydrophobicContact CD2-CB 3.98Å; L80-V99 HydrophobicContact CB-CG2 3.68Å; L80-T103 HydrophobicContact CB-CG2 4.4Å; L80-S104 PolarHBondContact O-N 3.32Å
81	T	48.1	Very low	47.4	Very low	36 Å²	36	42.1 Å²	42.1	22%	0.221	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.6	165.3	-56.1	0	0	0	0	108.7	S60 S104	S60-T81 PolarHBondContact OG-N 2.93Å; S60-T81 PolarHBondContact OG-O 3.41Å; T81-S104 VanDerWaalsContact CA-O 3.32Å; T81-S104 WeakPolarHBondContact CA-O 3.45Å; T81-S104 PolarHBondContact OG1-OG 2.95Å
82	E	45.9	Very low	47.2	Very low	9 Å²	9	45.5 Å²	45.5	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.5	-179.2	-160.3	171.8	141.8	0	0	109.4	L72 S74 L80 T95 S104 T106	L72-E82 HydrophobicContact CD2-CG 3.77Å; L72-E82 WeakPolarHBondContact CD2-OE1 3.43Å; L72-E82 VanDerWaalsContact CG-OE1 3.28Å; L72-E82 WeakPolarHBondContact CG-OE1 3.25Å; S74-E82 PolarHBondContact OG-OE2 2.83Å; L80-E82 HydrophobicContact CD2-CB 3.98Å; E82-T95 WeakPolarHBondContact OE1-CB 3.43Å; E82-T95 WeakPolarHBondContact OE1-CG2 3.16Å; E82-S104 PolarHBondContact N-O 2.78Å; E82-T106 PolarHBondContact O-N 2.96Å
83	S	46.1	Very low	47	Very low	17 Å²	17	45.6 Å²	45.6	12%	0.119	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	121.6	173	-38.5	0	0	0	0	110.1	T63 T106	T63-S83 CarbonylContact C-O 3.54Å; S83-T106 VanDerWaalsContact CA-O 3.29Å; S83-T106 WeakPolarHBondContact CA-O 3.26Å; S83-T106 WeakPolarHBondContact CB-O 3.27Å
84	V	46.9	Very low	46.9	Very low	7 Å²	7	46.4 Å²	46.4	4%	0.042	26%	0.259	C	S	.	.			trans	-110.5	108.7	-172.6	172.5	0	0	0	0	110.4	L65 L72 T86 I93 T95 P108	L65-V84 HydrophobicContact CB-CG1 4.28Å; L65-V84 HydrophobicContact CD1-CG1 3.92Å; L65-V84 HydrophobicContact CD1-CG2 3.98Å; L65-V84 HydrophobicContact CG-CG1 4.48Å; L72-V84 HydrophobicContact CD2-CG2 4.02Å; V84-T86 HydrophobicContact CG1-CG2 4.11Å; V84-I93 HydrophobicContact CG1-CG2 4.46Å; V84-T95 HydrophobicContact CG2-CG2 3.82Å; V84-P108 WeakPolarHBondContact O-CD 3.31Å; V84-P108 WeakPolarHBondContact O-CG 3.36Å
85	R	44.7	Very low	46.8	Very low	163 Å²	163	46.6 Å²	46.6	62%	0.615	26%	0.26	S	S	*	.			trans	-110	98	-176.7	-175.4	-172.8	178.9	170.7	0.8	112.2	T64 L65 P108	T64-R85 HydrophobicContact CG2-CB 4.28Å; L65-R85 CarbonylContact O-C 3.52Å; L65-R85 VanDerWaalsContact O-C 3.29Å; R85-P108 HydrophobicContact CB-CB 4.34Å; R85-P108 HydrophobicContact CB-CG 4.26Å
86	T	43.9	Very low	46.7	Very low	9 Å²	9	45.4 Å²	45.4	6%	0.055	25%	0.254	C	S	.	.			trans	-94.5	143.1	176.3	64.3	0	0	0	0	112.1	V84 P90 I93 V110	V84-T86 HydrophobicContact CG1-CG2 4.11Å; T86-P90 HydrophobicContact CG2-CG 3.62Å; T86-P90 VanDerWaalsContact OG1-CG 3.3Å; T86-P90 WeakPolarHBondContact OG1-CG 3.44Å; T86-I93 HydrophobicContact CG2-CD1 4.16Å; T86-V110 WeakPolarHBondContact OG1-CG1 3.27Å
87	T	43.2	Very low	46.6	Very low	106 Å²	106	45 Å²	45	65%	0.65	25%	0.251	S	S	*	.	S	Bend	trans	-102.5	-14.4	174.4	34.9	0	0	0	0	113.7	D67	D67-T87 PolarHBondContact OD1-OG1 3.47Å
88	S	44.7	Very low	46.6	Very low	33 Å²	33	45.3 Å²	45.3	23%	0.231	25%	0.251	C	S	.	.	S	Bend	trans	-113	155.1	174.7	41.5	0	0	0	0	110.1	D67 N68 P90	D67-S88 VanDerWaalsContact CA-OG 3.32Å; D67-S88 WeakPolarHBondContact CA-OG 3.07Å; D67-S88 WeakPolarHBondContact CB-OG 3.32Å; D67-S88 PolarHBondContact OD1-N 3.34Å; D67-S88 PolarHBondContact OD1-OG 2.94Å; N68-S88 PolarHBondContact N-OG 3.41Å; N68-S88 PolarHBondContact OD1-OG 3.47Å; S88-P90 WeakPolarHBondContact O-CD 3.41Å; S88-P90 WeakPolarHBondContact O-CG 3.27Å; S88-P90 VanDerWaalsContact O-N 3.16Å
89	V	40.4	Very low	46.9	Very low	78 Å²	78	43.8 Å²	43.8	47%	0.473	24%	0.24	S	C	.	.			trans	-67.2	96.4	-177	-171.9	0	0	0	0	110.4	T112	V89-T112 VanDerWaalsContact CG1-O 3.28Å; V89-T112 WeakPolarHBondContact CG1-O 3.05Å; V89-T112 WeakPolarHBondContact CG2-OG1 3.49Å
90	P	43.3	Very low	47	Very low	4 Å²	4	40.5 Å²	40.5	3%	0.026	23%	0.233	C	C	.	.			trans	-83.5	140.8	177.8	-4	28.7	0	0	0	107.1	T86 S88 I93	T86-P90 HydrophobicContact CG2-CG 3.62Å; T86-P90 VanDerWaalsContact OG1-CG 3.3Å; T86-P90 WeakPolarHBondContact OG1-CG 3.44Å; S88-P90 WeakPolarHBondContact O-CD 3.41Å; S88-P90 WeakPolarHBondContact O-CG 3.27Å; S88-P90 VanDerWaalsContact O-N 3.16Å; P90-I93 HydrophobicContact CB-CD1 3.84Å; P90-I93 HydrophobicContact CB-CG1 3.68Å; P90-I93 HydrophobicContact CG-CD1 3.67Å; P90-I93 HydrophobicContact CG-CG1 4.12Å
91	T	45.2	Very low	47	Very low	86 Å²	86	42.8 Å²	42.8	53%	0.528	25%	0.247	S	C	.	.	S	Bend	trans	-95.8	124.8	172	-29.1	0	0	0	0	107.3	T114	T91-T114 VanDerWaalsContact CG2-OG1 3.24Å; T91-T114 WeakPolarHBondContact CG2-OG1 3.25Å
92	N	45.9	Very low	46.8	Very low	96 Å²	96	44.8 Å²	44.8	51%	0.513	26%	0.256	S	S	.	.	S	Bend	trans	60.7	67.9	174.3	-52.9	-24.1	0	0	0	114.8	T94	N92-T94 PolarHBondContact O-N 2.91Å
93	I	45.4	Very low	46.8	Very low	5 Å²	5	44.6 Å²	44.6	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.6	170.6	-49.8	176.4	0	0	0	108.5	V84 T86 P90 T95 S115 F116 D117	V84-I93 HydrophobicContact CG1-CG2 4.46Å; T86-I93 HydrophobicContact CG2-CD1 4.16Å; P90-I93 HydrophobicContact CB-CD1 3.84Å; P90-I93 HydrophobicContact CB-CG1 3.68Å; P90-I93 HydrophobicContact CG-CD1 3.67Å; P90-I93 HydrophobicContact CG-CG1 4.12Å; I93-T95 HydrophobicContact CG2-CG2 4.22Å; I93-S115 PolarHBondContact N-O 3.29Å; I93-F116 HydrophobicContact CB-CD2 3.6Å; I93-F116 HydrophobicContact CB-CE2 3.77Å; I93-F116 HydrophobicContact CD1-CD2 3.95Å; I93-F116 HydrophobicContact CD1-CE2 4.05Å; I93-F116 HydrophobicContact CG1-CD2 4.23Å; I93-F116 HydrophobicContact CG2-CD2 4.02Å; I93-F116 HydrophobicContact CG2-CE2 3.62Å; I93-D117 PolarHBondContact O-N 2.92Å
94	T	49.8	Very low	46.7	Very low	52 Å²	52	44.9 Å²	44.9	32%	0.319	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.9	169.3	-52.6	0	0	0	0	109.9	T70 S71 L72 N92 D117	T70-T94 PolarHBondContact O-N 3.38Å; S71-T94 CarbonylContact C-O 3.52Å; S71-T94 VanDerWaalsContact CA-O 3.28Å; S71-T94 WeakPolarHBondContact CA-O 3.06Å; S71-T94 PolarHBondContact OG-O 2.92Å; L72-T94 PolarHBondContact N-O 3.17Å; N92-T94 PolarHBondContact O-N 2.91Å; T94-D117 WeakPolarHBondContact CA-O 3.23Å
95	T	50.1	Low	46.5	Very low	7 Å²	7	44.9 Å²	44.9	4%	0.043	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.9	169.6	58.4	0	0	0	0	109.1	L72 E82 V84 I93 F116 D117 T118 S119	L72-T95 HydrophobicContact CB-CG2 4.49Å; L72-T95 CarbonylContact O-C 3.57Å; L72-T95 VanDerWaalsContact O-CA 3.31Å; L72-T95 WeakPolarHBondContact O-CA 3.23Å; E82-T95 WeakPolarHBondContact OE1-CB 3.43Å; E82-T95 WeakPolarHBondContact OE1-CG2 3.16Å; V84-T95 HydrophobicContact CG2-CG2 3.82Å; I93-T95 HydrophobicContact CG2-CG2 4.22Å; T95-F116 HydrophobicContact CG2-CE2 4.39Å; T95-F116 HydrophobicContact CG2-CZ 3.99Å; T95-D117 PolarHBondContact N-O 2.85Å; T95-T118 CarbonylContact O-C 3.58Å; T95-T118 WeakPolarHBondContact O-CA 3.05Å; T95-T118 WeakPolarHBondContact OG1-CA 3.34Å; T95-T118 WeakPolarHBondContact OG1-CB 3.47Å; T95-T118 WeakPolarHBondContact OG1-CG2 3.47Å; T95-T118 PolarHBondContact OG1-OG1 2.81Å; T95-S119 PolarHBondContact O-N 2.85Å
96	S	49.8	Very low	46.3	Very low	28 Å²	28	39.7 Å²	39.7	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.3	176.9	68.5	0	0	0	0	111.3	L72 T73 S74 S119	L72-S96 PolarHBondContact O-N 2.89Å; T73-S96 CarbonylContact C-O 3.47Å; T73-S96 VanDerWaalsContact CA-O 3.32Å; T73-S96 WeakPolarHBondContact CA-O 3.38Å; T73-S96 WeakPolarHBondContact CG2-OG 3.43Å; T73-S96 PolarHBondContact OG1-OG 3.22Å; T73-S96 VanDerWaalsContact OG1-OG 3.1Å; S74-S96 PolarHBondContact N-O 3.2Å; S96-S119 VanDerWaalsContact CA-O 3.3Å; S96-S119 WeakPolarHBondContact CA-O 3.47Å; S96-S119 VanDerWaalsContact CB-OG 3.28Å; S96-S119 WeakPolarHBondContact CB-OG 3.17Å
97	S	51.6	Low	46.3	Very low	4 Å²	4	39.7 Å²	39.7	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.7	-180	69.1	0	0	0	0	112.2	S74 S119 Q120 T121	S74-S97 CarbonylContact O-C 3.53Å; S74-S97 VanDerWaalsContact O-CA 3.23Å; S74-S97 WeakPolarHBondContact O-CA 2.99Å; S74-S97 WeakPolarHBondContact OG-CB 3.09Å; S97-S119 PolarHBondContact N-O 2.96Å; S97-Q120 CarbonylContact O-C 3.52Å; S97-Q120 WeakPolarHBondContact O-CA 3.37Å; S97-Q120 VanDerWaalsContact OG-CD 3.23Å; S97-Q120 WeakPolarHBondContact OG-CG 3Å; S97-Q120 PolarHBondContact OG-NE2 3.4Å; S97-Q120 VanDerWaalsContact OG-NE2 3.14Å; S97-T121 PolarHBondContact O-N 3.02Å
98	T	50.2	Low	46	Very low	65 Å²	65	35.8 Å²	35.8	40%	0.399	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.8	172.6	-49.7	0	0	0	0	109.7	S74 T75 S76 T121	S74-T98 PolarHBondContact O-N 2.92Å; T75-T98 CarbonylContact C-O 3.32Å; T75-T98 VanDerWaalsContact CA-O 3.29Å; T75-T98 WeakPolarHBondContact CA-O 3.49Å; S76-T98 PolarHBondContact N-O 3.45Å; T98-T121 CarbonylContact C-O 3.55Å; T98-T121 WeakPolarHBondContact CA-O 3.47Å
99	V	54.7	Low	45.7	Very low	4 Å²	4	39.8 Å²	39.8	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.6	-177	-170.3	0	0	0	0	112.4	S76 L80 T101 T103 T121 S122 S123	S76-V99 VanDerWaalsContact O-CA 3.26Å; S76-V99 WeakPolarHBondContact O-CA 3.44Å; S76-V99 WeakPolarHBondContact OG-CG1 3.07Å; L80-V99 HydrophobicContact CB-CG2 3.68Å; V99-T101 WeakPolarHBondContact CG1-O 3.44Å; V99-T103 VanDerWaalsContact CB-OG1 3.29Å; V99-T103 WeakPolarHBondContact CB-OG1 3.23Å; V99-T103 HydrophobicContact CG2-CG2 3.97Å; V99-T103 WeakPolarHBondContact CG2-OG1 3.16Å; V99-T121 PolarHBondContact N-O 3.44Å; V99-S122 CarbonylContact O-C 3.53Å; V99-S122 VanDerWaalsContact O-CA 3.24Å; V99-S122 WeakPolarHBondContact O-CA 3.34Å; V99-S123 PolarHBondContact O-N 3.31Å
100	A	49.8	Very low	45.6	Very low	38 Å²	38	36.4 Å²	36.4	31%	0.314	22%	0.215	S	C	.	.	S	Bend	trans	-66.1	-45.1	174	0	0	0	0	0	111.7	S76 S77 S123 T124	S76-A100 PolarHBondContact O-N 3.43Å; S77-A100 WeakPolarHBondContact O-CB 3.46Å; A100-S123 WeakPolarHBondContact CA-OG 3.31Å; A100-S123 PolarHBondContact O-N 3.28Å; A100-S123 PolarHBondContact O-OG 2.88Å; A100-T124 PolarHBondContact O-N 3.4Å; A100-T124 PolarHBondContact O-OG1 2.87Å
101	T	47.4	Very low	45.4	Very low	52 Å²	52	42.8 Å²	42.8	32%	0.319	25%	0.25	S	C	.	.	S	Bend	trans	-136.9	136	179.5	49.1	0	0	0	0	112.2	S78 V99 T124	S78-T101 CarbonylContact C-O 3.55Å; S78-T101 WeakPolarHBondContact CA-OG1 3.42Å; S78-T101 PolarHBondContact O-OG1 2.87Å; V99-T101 WeakPolarHBondContact CG1-O 3.44Å; T101-T124 WeakPolarHBondContact CG2-OG1 3.31Å
102	N	43.9	Very low	45.1	Very low	78 Å²	78	42.3 Å²	42.3	42%	0.417	25%	0.247	S	C	.	.			trans	47.9	113.5	170.5	-62.2	-31.5	0	0	0	117.2	G125 Q126	N102-G125 VanDerWaalsContact OD1-CA 3.3Å; N102-G125 WeakPolarHBondContact OD1-CA 3.03Å; N102-Q126 WeakPolarHBondContact CA-O 3.02Å; N102-Q126 PolarHBondContact OD1-N 3.41Å
103	T	46.9	Very low	44.8	Very low	4 Å²	4	38.4 Å²	38.4	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.8	175.1	-45.1	0	0	0	0	111.2	L80 V99 Q120 Q126 T127 Q128	L80-T103 HydrophobicContact CB-CG2 4.4Å; V99-T103 VanDerWaalsContact CB-OG1 3.29Å; V99-T103 WeakPolarHBondContact CB-OG1 3.23Å; V99-T103 HydrophobicContact CG2-CG2 3.97Å; V99-T103 WeakPolarHBondContact CG2-OG1 3.16Å; T103-Q120 VanDerWaalsContact CB-OE1 3.24Å; T103-Q120 VanDerWaalsContact CG2-CD 3.46Å; T103-Q120 VanDerWaalsContact CG2-NE2 3.34Å; T103-Q126 PolarHBondContact N-O 2.99Å; T103-T127 WeakPolarHBondContact O-CA 3.4Å; T103-Q128 PolarHBondContact O-N 2.88Å; T103-Q128 VanDerWaalsContact O-N 3.11Å
104	S	42.7	Very low	44.7	Very low	24 Å²	24	42.9 Å²	42.9	17%	0.168	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.2	169.1	60.9	0	0	0	0	110.5	L80 T81 E82 Q128	L80-S104 PolarHBondContact O-N 3.32Å; T81-S104 VanDerWaalsContact CA-O 3.32Å; T81-S104 WeakPolarHBondContact CA-O 3.45Å; T81-S104 PolarHBondContact OG1-OG 2.95Å; E82-S104 PolarHBondContact N-O 2.78Å; S104-Q128 VanDerWaalsContact CA-O 3.27Å; S104-Q128 WeakPolarHBondContact CA-O 3.37Å
105	A	43.7	Very low	44.4	Very low	6 Å²	6	42 Å²	42	5%	0.05	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.4	169.5	0	0	0	0	0	109.8	Q120 Q128 F130	A105-Q120 VanDerWaalsContact CB-NE2 3.31Å; A105-Q128 PolarHBondContact N-O 2.71Å; A105-Q128 VanDerWaalsContact N-O 3.12Å; A105-F130 PolarHBondContact O-N 3.33Å
106	T	40.4	Very low	44.3	Very low	54 Å²	54	42.1 Å²	42.1	33%	0.331	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.8	168.6	-55.2	0	0	0	0	107.8	E82 S83 P108 F130	E82-T106 PolarHBondContact O-N 2.96Å; S83-T106 VanDerWaalsContact CA-O 3.29Å; S83-T106 WeakPolarHBondContact CA-O 3.26Å; S83-T106 WeakPolarHBondContact CB-O 3.27Å; T106-P108 VanDerWaalsContact O-CD 3.24Å; T106-P108 WeakPolarHBondContact O-CD 3.27Å; T106-F130 CarbonylContact C-O 3.6Å; T106-F130 WeakPolarHBondContact CA-O 3.28Å; T106-F130 HydrophobicContact CG2-CB 4.35Å
107	V	43.1	Very low	44.2	Very low	10 Å²	10	44 Å²	44	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	111.2	174	-173.4	0	0	0	0	108.2	F116 F130 T131 T132 F139	V107-F116 HydrophobicContact CB-CE1 4.2Å; V107-F116 HydrophobicContact CB-CZ 4.46Å; V107-F116 HydrophobicContact CG1-CD1 4.08Å; V107-F116 HydrophobicContact CG1-CE1 3.64Å; V107-F116 HydrophobicContact CG1-CE2 4.25Å; V107-F116 HydrophobicContact CG1-CZ 3.78Å; V107-F116 HydrophobicContact CG2-CD1 4.34Å; V107-F116 HydrophobicContact CG2-CE1 3.46Å; V107-F116 VanDerWaalsContact CG2-CE1 3.46Å; V107-F116 HydrophobicContact CG2-CZ 3.96Å; V107-F130 PolarHBondContact N-O 2.91Å; V107-T131 HydrophobicContact CB-CG2 3.63Å; V107-T131 HydrophobicContact CG1-CG2 4.28Å; V107-T131 HydrophobicContact CG2-CG2 3.61Å; V107-T132 PolarHBondContact O-N 3.5Å; V107-T132 PolarHBondContact O-OG1 3.38Å; V107-F139 HydrophobicContact CG2-CE1 4.1Å; V107-F139 HydrophobicContact CG2-CZ 4.16Å
108	P	38	Very low	44.1	Very low	24 Å²	24	43.9 Å²	43.9	16%	0.156	26%	0.257	C	S	.	.			trans	-71	158.5	176.5	-18.3	36.2	0	0	0	112.2	V84 R85 T106 V110	V84-P108 WeakPolarHBondContact O-CD 3.31Å; V84-P108 WeakPolarHBondContact O-CG 3.36Å; R85-P108 HydrophobicContact CB-CB 4.34Å; R85-P108 HydrophobicContact CB-CG 4.26Å; T106-P108 VanDerWaalsContact O-CD 3.24Å; T106-P108 WeakPolarHBondContact O-CD 3.27Å; P108-V110 PolarHBondContact O-N 3.42Å
109	Q	36.9	Very low	44.2	Very low	117 Å²	117	42.9 Å²	42.9	55%	0.547	25%	0.253	S	S	.	.			trans	-47.2	119.8	168.2	-102.5	-151	-74.1	0	0	111.6	N111 T132	Q109-N111 PolarHBondContact NE2-OD1 3.37Å; Q109-T132 PolarHBondContact N-OG1 2.98Å
110	V	39.4	Very low	44.1	Very low	6 Å²	6	42.9 Å²	42.9	4%	0.036	25%	0.252	C	S	.	.			trans	-116.3	109	164.6	-160.9	0	0	0	0	107.5	T86 P108 T112 T113 D133	T86-V110 WeakPolarHBondContact OG1-CG1 3.27Å; P108-V110 PolarHBondContact O-N 3.42Å; V110-T112 PolarHBondContact O-N 2.9Å; V110-T113 WeakPolarHBondContact CB-OG1 3.37Å; V110-T113 WeakPolarHBondContact CG1-OG1 3.49Å; V110-D133 VanDerWaalsContact CA-OD2 3.31Å; V110-D133 WeakPolarHBondContact CA-OD2 3.28Å; V110-D133 WeakPolarHBondContact CB-OD2 3.3Å; V110-D133 PolarHBondContact N-OD2 2.95Å; V110-D133 VanDerWaalsContact O-CG 3.27Å
111	N	39	Very low	44.2	Very low	139 Å²	139	43.6 Å²	43.6	74%	0.743	25%	0.253	S	S	*	.	S	Bend	trans	-56.6	-17.8	-173.4	-81.2	-16	0	0	0	114.3	Q109	Q109-N111 PolarHBondContact NE2-OD1 3.37Å
112	T	39.2	Very low	44.5	Very low	76 Å²	76	41.1 Å²	41.1	47%	0.466	24%	0.238	S	C	.	.	S	Bend	trans	-159.3	109.5	174.4	46.4	0	0	0	0	109.5	V89 V110	V89-T112 VanDerWaalsContact CG1-O 3.28Å; V89-T112 WeakPolarHBondContact CG1-O 3.05Å; V89-T112 WeakPolarHBondContact CG2-OG1 3.49Å; V110-T112 PolarHBondContact O-N 2.9Å
113	T	39.4	Very low	44.9	Very low	14 Å²	14	39.7 Å²	39.7	9%	0.086	23%	0.234	C	C	.	.			trans	-127.9	142.4	165.2	-49.5	0	0	0	0	108.4	V110 S115 T135	V110-T113 WeakPolarHBondContact CB-OG1 3.37Å; V110-T113 WeakPolarHBondContact CG1-OG1 3.49Å; T113-S115 WeakPolarHBondContact CG2-O 3.31Å; T113-T135 WeakPolarHBondContact O-CG2 3.35Å
114	T	43.6	Very low	44.8	Very low	99 Å²	99	42.9 Å²	42.9	61%	0.607	25%	0.253	S	S	*	.	S	Bend	trans	-86.3	-24.7	179.2	52.2	0	0	0	0	114	T91	T91-T114 VanDerWaalsContact CG2-OG1 3.24Å; T91-T114 WeakPolarHBondContact CG2-OG1 3.25Å
115	S	43.5	Very low	44.9	Very low	33 Å²	33	42 Å²	42	23%	0.231	25%	0.248	C	C	.	.			trans	-167	138.3	173.5	-172.1	0	0	0	0	109.5	I93 T113	I93-S115 PolarHBondContact N-O 3.29Å; T113-S115 WeakPolarHBondContact CG2-O 3.31Å
116	F	47	Very low	44.8	Very low	10 Å²	10	44.4 Å²	44.4	4%	0.044	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116.7	175.8	-173.2	-92.2	0	0	0	108.8	I93 T95 V107 T118 A137 T138 F139	I93-F116 HydrophobicContact CB-CD2 3.6Å; I93-F116 HydrophobicContact CB-CE2 3.77Å; I93-F116 HydrophobicContact CD1-CD2 3.95Å; I93-F116 HydrophobicContact CD1-CE2 4.05Å; I93-F116 HydrophobicContact CG1-CD2 4.23Å; I93-F116 HydrophobicContact CG2-CD2 4.02Å; I93-F116 HydrophobicContact CG2-CE2 3.62Å; T95-F116 HydrophobicContact CG2-CE2 4.39Å; T95-F116 HydrophobicContact CG2-CZ 3.99Å; V107-F116 HydrophobicContact CB-CE1 4.2Å; V107-F116 HydrophobicContact CB-CZ 4.46Å; V107-F116 HydrophobicContact CG1-CD1 4.08Å; V107-F116 HydrophobicContact CG1-CE1 3.64Å; V107-F116 HydrophobicContact CG1-CE2 4.25Å; V107-F116 HydrophobicContact CG1-CZ 3.78Å; V107-F116 HydrophobicContact CG2-CD1 4.34Å; V107-F116 HydrophobicContact CG2-CE1 3.46Å; V107-F116 VanDerWaalsContact CG2-CE1 3.46Å; V107-F116 HydrophobicContact CG2-CZ 3.96Å; F116-T118 WeakPolarHBondContact CE1-OG1 3.42Å; F116-A137 HydrophobicContact CB-CB 4.16Å; F116-A137 HydrophobicContact CD1-CB 4.39Å; F116-A137 WeakPolarHBondContact O-CA 3.44Å; F116-A137 WeakPolarHBondContact O-CB 3.44Å; F116-T138 PolarHBondContact O-N 2.96Å; F116-T138 VanDerWaalsContact O-N 3.09Å; F116-F139 HydrophobicContact CD1-CE1 4.47Å; F116-F139 HydrophobicContact CD1-CZ 4.38Å; F116-F139 HydrophobicContact CE1-CE1 4.35Å
117	D	46.9	Very low	44.8	Very low	66 Å²	66	42.1 Å²	42.1	35%	0.353	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.6	-179.5	-72.3	-30.9	0	0	0	109.8	I93 T94 T95 T138	I93-D117 PolarHBondContact O-N 2.92Å; T94-D117 WeakPolarHBondContact CA-O 3.23Å; T95-D117 PolarHBondContact N-O 2.85Å; D117-T138 WeakPolarHBondContact CA-O 3.36Å; D117-T138 VanDerWaalsContact OD1-CB 3.28Å; D117-T138 WeakPolarHBondContact OD1-CB 2.83Å; D117-T138 PolarHBondContact OD1-OG1 2.76Å
118	T	49.4	Very low	44.7	Very low	3 Å²	3	44.3 Å²	44.3	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.5	171.6	-63.7	0	0	0	0	110	T95 F116 Q120 T138 F139 T140	T95-T118 CarbonylContact O-C 3.58Å; T95-T118 WeakPolarHBondContact O-CA 3.05Å; T95-T118 WeakPolarHBondContact OG1-CA 3.34Å; T95-T118 WeakPolarHBondContact OG1-CB 3.47Å; T95-T118 WeakPolarHBondContact OG1-CG2 3.47Å; T95-T118 PolarHBondContact OG1-OG1 2.81Å; F116-T118 WeakPolarHBondContact CE1-OG1 3.42Å; T118-Q120 HydrophobicContact CG2-CG 3.99Å; T118-T138 PolarHBondContact N-O 3.2Å; T118-F139 HydrophobicContact CG2-CD1 4.19Å; T118-F139 HydrophobicContact CG2-CE1 4.37Å; T118-F139 WeakPolarHBondContact O-CA 3.28Å; T118-T140 PolarHBondContact O-N 3.04Å
119	S	52.3	Low	44.8	Very low	44 Å²	44	43.3 Å²	43.3	31%	0.308	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.2	170.5	59.9	0	0	0	0	111.3	T95 S96 S97 T140	T95-S119 PolarHBondContact O-N 2.85Å; S96-S119 VanDerWaalsContact CA-O 3.3Å; S96-S119 WeakPolarHBondContact CA-O 3.47Å; S96-S119 VanDerWaalsContact CB-OG 3.28Å; S96-S119 WeakPolarHBondContact CB-OG 3.17Å; S97-S119 PolarHBondContact N-O 2.96Å; S119-T140 CarbonylContact C-O 3.54Å; S119-T140 WeakPolarHBondContact CA-O 3.43Å
120	Q	53.9	Low	44.9	Very low	3 Å²	3	41.3 Å²	41.3	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.1	175.7	-57.4	-148.9	-29.5	0	0	111.4	S97 T103 A105 T118 T127 T140 S141 T142	S97-Q120 CarbonylContact O-C 3.52Å; S97-Q120 WeakPolarHBondContact O-CA 3.37Å; S97-Q120 VanDerWaalsContact OG-CD 3.23Å; S97-Q120 WeakPolarHBondContact OG-CG 3Å; S97-Q120 PolarHBondContact OG-NE2 3.4Å; S97-Q120 VanDerWaalsContact OG-NE2 3.14Å; T103-Q120 VanDerWaalsContact CB-OE1 3.24Å; T103-Q120 VanDerWaalsContact CG2-CD 3.46Å; T103-Q120 VanDerWaalsContact CG2-NE2 3.34Å; A105-Q120 VanDerWaalsContact CB-NE2 3.31Å; T118-Q120 HydrophobicContact CG2-CG 3.99Å; Q120-T127 HydrophobicContact CB-CG2 4.4Å; Q120-T140 PolarHBondContact N-O 3.48Å; Q120-S141 CarbonylContact O-C 3.55Å; Q120-S141 WeakPolarHBondContact O-CA 3.38Å; Q120-T142 PolarHBondContact O-N 2.53Å
121	T	52.1	Low	44.9	Very low	54 Å²	54	41.2 Å²	41.2	33%	0.331	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.9	172.2	-54.1	0	0	0	0	108.7	S97 T98 V99 T142	S97-T121 PolarHBondContact O-N 3.02Å; T98-T121 CarbonylContact C-O 3.55Å; T98-T121 WeakPolarHBondContact CA-O 3.47Å; V99-T121 PolarHBondContact N-O 3.44Å; T121-T142 WeakPolarHBondContact CA-O 3.45Å
122	S	54	Low	44.8	Very low	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.9	178.6	69.7	0	0	0	0	111.7	V99 G125 T142 P143 S144	V99-S122 CarbonylContact O-C 3.53Å; V99-S122 VanDerWaalsContact O-CA 3.24Å; V99-S122 WeakPolarHBondContact O-CA 3.34Å; S122-G125 PolarHBondContact OG-O 2.77Å; S122-G125 VanDerWaalsContact OG-O 3.1Å; S122-T142 PolarHBondContact N-O 2.73Å; S122-P143 CarbonylContact O-C 3.53Å; S122-P143 WeakPolarHBondContact O-CA 3.28Å; S122-S144 PolarHBondContact O-N 2.91Å; S122-S144 PolarHBondContact O-OG 3.45Å
123	S	51.8	Low	44.7	Very low	48 Å²	48	35.4 Å²	35.4	34%	0.336	21%	0.205	S	C	.	.	S	Bend	trans	-73.4	-35.1	-175.1	77.7	0	0	0	0	115	V99 A100 S144 T145	V99-S123 PolarHBondContact O-N 3.31Å; A100-S123 WeakPolarHBondContact CA-OG 3.31Å; A100-S123 PolarHBondContact O-N 3.28Å; A100-S123 PolarHBondContact O-OG 2.88Å; S123-S144 WeakPolarHBondContact CA-OG 3.44Å; S123-S144 VanDerWaalsContact O-CB 3.32Å; S123-S144 WeakPolarHBondContact O-CB 3.42Å; S123-T145 PolarHBondContact O-N 2.82Å; S123-T145 VanDerWaalsContact O-N 3.12Å; S123-T145 PolarHBondContact O-OG1 3.02Å
124	T	44.3	Very low	44.8	Very low	71 Å²	71	43.8 Å²	43.8	44%	0.436	24%	0.235	S	C	.	.	S	Bend	trans	-148	23.4	-175.1	53.1	0	0	0	0	114.8	A100 T101 T145	A100-T124 PolarHBondContact O-N 3.4Å; A100-T124 PolarHBondContact O-OG1 2.87Å; T101-T124 WeakPolarHBondContact CG2-OG1 3.31Å; T124-T145 WeakPolarHBondContact CG2-OG1 3.45Å
125	G	44.4	Very low	44.7	Very low	6 Å²	6	40.5 Å²	40.5	6%	0.062	22%	0.215	C	C	.	.	S	Bend	trans	-144.6	179.3	-171.9	0	0	0	0	0	118.7	N102 S122	N102-G125 VanDerWaalsContact OD1-CA 3.3Å; N102-G125 WeakPolarHBondContact OD1-CA 3.03Å; S122-G125 PolarHBondContact OG-O 2.77Å; S122-G125 VanDerWaalsContact OG-O 3.1Å
126	Q	41.7	Very low	44.5	Very low	56 Å²	56	42.5 Å²	42.5	26%	0.262	23%	0.227	S	C	.	.			trans	-71.9	138.2	-176.4	-174.5	-169.7	73.2	0	0	111.7	N102 T103 Q128 T149	N102-Q126 WeakPolarHBondContact CA-O 3.02Å; N102-Q126 PolarHBondContact OD1-N 3.41Å; T103-Q126 PolarHBondContact N-O 2.99Å; Q126-Q128 HydrophobicContact CG-CG 4.04Å; Q126-T149 PolarHBondContact NE2-OG1 2.85Å
127	T	41.1	Very low	44.4	Very low	5 Å²	5	42.3 Å²	42.3	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.4	169.8	-62.6	0	0	0	0	109.2	T103 Q120 I129	T103-T127 WeakPolarHBondContact O-CA 3.4Å; Q120-T127 HydrophobicContact CB-CG2 4.4Å; T127-I129 HydrophobicContact CG2-CD1 4.33Å; T127-I129 HydrophobicContact CG2-CG1 4.23Å
128	Q	40.2	Very low	44.4	Very low	57 Å²	57	41.5 Å²	41.5	27%	0.266	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.8	172.7	-68.2	-172.1	92.7	0	0	109.7	T103 S104 A105 Q126 F130	T103-Q128 PolarHBondContact O-N 2.88Å; T103-Q128 VanDerWaalsContact O-N 3.11Å; S104-Q128 VanDerWaalsContact CA-O 3.27Å; S104-Q128 WeakPolarHBondContact CA-O 3.37Å; A105-Q128 PolarHBondContact N-O 2.71Å; A105-Q128 VanDerWaalsContact N-O 3.12Å; Q126-Q128 HydrophobicContact CG-CG 4.04Å; Q128-F130 HydrophobicContact CB-CE2 3.94Å
129	I	40.8	Very low	44.3	Very low	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.2	176.2	-60.2	159.7	0	0	0	106.6	T127 T131 F139 T151	T127-I129 HydrophobicContact CG2-CD1 4.33Å; T127-I129 HydrophobicContact CG2-CG1 4.23Å; I129-T131 HydrophobicContact CG2-CG2 4.15Å; I129-F139 HydrophobicContact CD1-CB 3.96Å; I129-F139 HydrophobicContact CD1-CD1 3.68Å; I129-F139 HydrophobicContact CD1-CG 3.97Å; I129-F139 HydrophobicContact CG1-CD1 4.34Å; I129-F139 HydrophobicContact CG2-CD1 3.71Å; I129-F139 HydrophobicContact CG2-CE1 3.48Å; I129-F139 VanDerWaalsContact CG2-CE1 3.48Å; I129-F139 HydrophobicContact CG2-CE2 4.46Å; I129-F139 HydrophobicContact CG2-CG 4.35Å; I129-F139 HydrophobicContact CG2-CZ 3.91Å; I129-T151 HydrophobicContact CB-CG2 3.74Å; I129-T151 HydrophobicContact CD1-CG2 4.02Å; I129-T151 HydrophobicContact CG1-CG2 4.17Å
130	F	38.2	Very low	44.1	Very low	75 Å²	75	42 Å²	42	33%	0.329	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.7	170.4	-64.5	-83.5	0	0	0	108	A105 T106 V107 Q128	A105-F130 PolarHBondContact O-N 3.33Å; T106-F130 CarbonylContact C-O 3.6Å; T106-F130 WeakPolarHBondContact CA-O 3.28Å; T106-F130 HydrophobicContact CG2-CB 4.35Å; V107-F130 PolarHBondContact N-O 2.91Å; Q128-F130 HydrophobicContact CB-CE2 3.94Å
131	T	39.4	Very low	43.9	Very low	5 Å²	5	42.2 Å²	42.2	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.7	169.8	57.3	0	0	0	0	108.3	V107 I129 F139 T154 Q157	V107-T131 HydrophobicContact CB-CG2 3.63Å; V107-T131 HydrophobicContact CG1-CG2 4.28Å; V107-T131 HydrophobicContact CG2-CG2 3.61Å; I129-T131 HydrophobicContact CG2-CG2 4.15Å; T131-F139 HydrophobicContact CG2-CE1 4.25Å; T131-F139 HydrophobicContact CG2-CE2 3.88Å; T131-F139 HydrophobicContact CG2-CZ 3.35Å; T131-T154 VanDerWaalsContact O-CB 3.3Å; T131-T154 WeakPolarHBondContact O-CB 3.2Å; T131-T154 PolarHBondContact OG1-O 3.3Å; T131-T154 VanDerWaalsContact OG1-O 3.08Å; T131-Q157 PolarHBondContact OG1-NE2 2.8Å
132	T	37.7	Very low	43.9	Very low	79 Å²	79	42 Å²	42	49%	0.485	23%	0.227	S	C	.	.			trans	-121.4	11.1	174.9	45.4	0	0	0	0	112.3	V107 Q109	V107-T132 PolarHBondContact O-N 3.5Å; V107-T132 PolarHBondContact O-OG1 3.38Å; Q109-T132 PolarHBondContact N-OG1 2.98Å
133	D	37.1	Very low	43.8	Very low	14 Å²	14	42.5 Å²	42.5	8%	0.075	23%	0.23	C	C	.	.			trans	-106.9	153.5	-170.8	-158.5	0.4	0	0	0	112.9	V110 T135	V110-D133 VanDerWaalsContact CA-OD2 3.31Å; V110-D133 WeakPolarHBondContact CA-OD2 3.28Å; V110-D133 WeakPolarHBondContact CB-OD2 3.3Å; V110-D133 PolarHBondContact N-OD2 2.95Å; V110-D133 VanDerWaalsContact O-CG 3.27Å; D133-T135 PolarHBondContact OD2-OG1 2.94Å
134	R	40.9	Very low	43.6	Very low	189 Å²	189	42.3 Å²	42.3	71%	0.713	23%	0.229	S	C	*	.	S	Bend	trans	-89.8	2.1	-178	-68.4	-174.6	177.9	129.2	0.3	114	N156	R134-N156 HydrophobicContact CB-CB 4.49Å
135	T	41.1	Very low	43.5	Very low	31 Å²	31	41.6 Å²	41.6	19%	0.19	22%	0.224	C	C	.	.	S	Bend	trans	-91.2	138.5	-177.7	50.5	0	0	0	0	112.3	T113 D133 A137	T113-T135 WeakPolarHBondContact O-CG2 3.35Å; D133-T135 PolarHBondContact OD2-OG1 2.94Å; T135-A137 PolarHBondContact O-N 3.3Å
136	P	41.2	Very low	43.2	Very low	74 Å²	74	44.4 Å²	44.4	48%	0.481	24%	0.243	S	C	.	.			trans	-52	128.6	171.9	-27.6	36.4	0	0	0	112.1	T158	P136-T158 HydrophobicContact CB-CG2 3.8Å; P136-T158 WeakPolarHBondContact CB-OG1 3.27Å; P136-T158 HydrophobicContact CG-CG2 4.1Å
137	A	45	Very low	43.1	Very low	6 Å²	6	45.8 Å²	45.8	5%	0.05	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148	177.4	0	0	0	0	0	109.9	F116 T135 F139	F116-A137 HydrophobicContact CB-CB 4.16Å; F116-A137 HydrophobicContact CD1-CB 4.39Å; F116-A137 WeakPolarHBondContact O-CA 3.44Å; F116-A137 WeakPolarHBondContact O-CB 3.44Å; T135-A137 PolarHBondContact O-N 3.3Å; A137-F139 HydrophobicContact CB-CD2 4.39Å; A137-F139 HydrophobicContact CB-CE2 3.55Å; A137-F139 HydrophobicContact CB-CZ 3.82Å
138	T	45.7	Very low	43	Very low	50 Å²	50	46.3 Å²	46.3	31%	0.307	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.3	175	-43.9	0	0	0	0	109.1	F116 D117 T118	F116-T138 PolarHBondContact O-N 2.96Å; F116-T138 VanDerWaalsContact O-N 3.09Å; D117-T138 WeakPolarHBondContact CA-O 3.36Å; D117-T138 VanDerWaalsContact OD1-CB 3.28Å; D117-T138 WeakPolarHBondContact OD1-CB 2.83Å; D117-T138 PolarHBondContact OD1-OG1 2.76Å; T118-T138 PolarHBondContact N-O 3.2Å
139	F	47	Very low	42.8	Very low	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.4	178.4	-68.1	-79.4	0	0	0	110.1	V107 F116 T118 I129 T131 A137 L153 Q157 S159 L160 T161	V107-F139 HydrophobicContact CG2-CE1 4.1Å; V107-F139 HydrophobicContact CG2-CZ 4.16Å; F116-F139 HydrophobicContact CD1-CE1 4.47Å; F116-F139 HydrophobicContact CD1-CZ 4.38Å; F116-F139 HydrophobicContact CE1-CE1 4.35Å; T118-F139 HydrophobicContact CG2-CD1 4.19Å; T118-F139 HydrophobicContact CG2-CE1 4.37Å; T118-F139 WeakPolarHBondContact O-CA 3.28Å; I129-F139 HydrophobicContact CD1-CB 3.96Å; I129-F139 HydrophobicContact CD1-CD1 3.68Å; I129-F139 HydrophobicContact CD1-CG 3.97Å; I129-F139 HydrophobicContact CG1-CD1 4.34Å; I129-F139 HydrophobicContact CG2-CD1 3.71Å; I129-F139 HydrophobicContact CG2-CE1 3.48Å; I129-F139 VanDerWaalsContact CG2-CE1 3.48Å; I129-F139 HydrophobicContact CG2-CE2 4.46Å; I129-F139 HydrophobicContact CG2-CG 4.35Å; I129-F139 HydrophobicContact CG2-CZ 3.91Å; T131-F139 HydrophobicContact CG2-CE1 4.25Å; T131-F139 HydrophobicContact CG2-CE2 3.88Å; T131-F139 HydrophobicContact CG2-CZ 3.35Å; A137-F139 HydrophobicContact CB-CD2 4.39Å; A137-F139 HydrophobicContact CB-CE2 3.55Å; A137-F139 HydrophobicContact CB-CZ 3.82Å; F139-L153 HydrophobicContact CD2-CD2 4.01Å; F139-L153 HydrophobicContact CE2-CD2 4.2Å; F139-Q157 VanDerWaalsContact CE2-OE1 3.31Å; F139-S159 PolarHBondContact N-O 3.05Å; F139-L160 HydrophobicContact CB-CD1 3.48Å; F139-L160 VanDerWaalsContact CB-CD1 3.48Å; F139-T161 PolarHBondContact O-N 3.39Å; F139-T161 VanDerWaalsContact O-O 3.11Å
140	T	49.2	Very low	42.5	Very low	56 Å²	56	49.5 Å²	49.5	34%	0.344	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.6	172.9	-57.2	0	0	0	0	109.9	T118 S119 Q120 T161	T118-T140 PolarHBondContact O-N 3.04Å; S119-T140 CarbonylContact C-O 3.54Å; S119-T140 WeakPolarHBondContact CA-O 3.43Å; Q120-T140 PolarHBondContact N-O 3.48Å; T140-T161 CarbonylContact C-O 3.5Å; T140-T161 VanDerWaalsContact CA-O 3.23Å; T140-T161 WeakPolarHBondContact CA-O 3.48Å
141	S	48.8	Very low	42.7	Very low	8 Å²	8	46.4 Å²	46.4	6%	0.056	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.2	174.4	64.7	0	0	0	0	111.7	Q120 T161 S162 T163	Q120-S141 CarbonylContact O-C 3.55Å; Q120-S141 WeakPolarHBondContact O-CA 3.38Å; S141-T161 PolarHBondContact N-O 3.32Å; S141-S162 CarbonylContact O-C 3.29Å; S141-S162 VanDerWaalsContact O-CA 3.29Å; S141-S162 WeakPolarHBondContact O-CA 3.29Å; S141-S162 WeakPolarHBondContact OG-CB 3.31Å; S141-T163 PolarHBondContact O-N 3.46Å
142	T	53	Low	42.5	Very low	50 Å²	50	47.9 Å²	47.9	31%	0.307	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	73.1	179.7	-44.2	0	0	0	0	111.8	Q120 T121 S122 T163	Q120-T142 PolarHBondContact O-N 2.53Å; T121-T142 WeakPolarHBondContact CA-O 3.45Å; S122-T142 PolarHBondContact N-O 2.73Å; T142-T163 CarbonylContact C-O 3.5Å; T142-T163 WeakPolarHBondContact CA-O 3.16Å
143	P	51.4	Low	42.7	Very low	10 Å²	10	44.4 Å²	44.4	7%	0.065	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.4	175.5	25.5	-30.4	0	0	0	112	S122 T163 S164 L168	S122-P143 CarbonylContact O-C 3.53Å; S122-P143 WeakPolarHBondContact O-CA 3.28Å; P143-T163 VanDerWaalsContact CD-O 3.28Å; P143-T163 WeakPolarHBondContact CD-O 3.49Å; P143-S164 VanDerWaalsContact O-CA 3.27Å; P143-S164 WeakPolarHBondContact O-CA 3.1Å; P143-S164 WeakPolarHBondContact O-CB 3.49Å; P143-L168 HydrophobicContact CG-CD1 3.79Å
144	S	48.3	Very low	42.7	Very low	44 Å²	44	45.4 Å²	45.4	31%	0.308	27%	0.265	S	S	.	.			trans	-77.6	-41.3	-178.8	-32.6	0	0	0	0	112	S122 S123 S165	S122-S144 PolarHBondContact O-N 2.91Å; S122-S144 PolarHBondContact O-OG 3.45Å; S123-S144 WeakPolarHBondContact CA-OG 3.44Å; S123-S144 VanDerWaalsContact O-CB 3.32Å; S123-S144 WeakPolarHBondContact O-CB 3.42Å; S144-S165 WeakPolarHBondContact O-CB 3.33Å; S144-S165 PolarHBondContact O-OG 3.04Å
145	T	42.1	Very low	42.7	Very low	56 Å²	56	38.1 Å²	38.1	34%	0.344	24%	0.241	S	C	.	.	S	Bend	trans	-147.6	139.2	178.2	54.9	0	0	0	0	115.8	S123 T124 S166	S123-T145 PolarHBondContact O-N 2.82Å; S123-T145 VanDerWaalsContact O-N 3.12Å; S123-T145 PolarHBondContact O-OG1 3.02Å; T124-T145 WeakPolarHBondContact CG2-OG1 3.45Å; T145-S166 WeakPolarHBondContact CA-OG 3.02Å
146	S	38.1	Very low	42.7	Very low	65 Å²	65	39.5 Å²	39.5	46%	0.455	25%	0.247	S	C	.	.	S	Bend	trans	51.6	121.1	164.3	63.4	0	0	0	0	120.9	S166	S146-S166 PolarHBondContact N-OG 3.17Å
147	T	39.2	Very low	43.1	Very low	86 Å²	86	36.3 Å²	36.3	53%	0.528	23%	0.226	S	C	.	.			trans	61	75.1	158	55.8	0	0	0	0	116.6
148	S	38.7	Very low	43.1	Very low	16 Å²	16	38.4 Å²	38.4	11%	0.112	24%	0.238	C	C	.	.			trans	-70.4	135.6	160	53.3	0	0	0	0	110.2	L168 T169	S148-L168 WeakPolarHBondContact OG-CD1 3.35Å; S148-T169 WeakPolarHBondContact O-CB 3.5Å; S148-T169 PolarHBondContact OG-N 3.03Å; S148-T169 PolarHBondContact OG-O 3.48Å
149	T	35.7	Very low	43.3	Very low	67 Å²	67	37.4 Å²	37.4	41%	0.411	23%	0.233	S	C	.	.			trans	-107.5	158.7	172.7	-10.4	0	0	0	0	107.2	Q126	Q126-T149 PolarHBondContact NE2-OG1 2.85Å
150	P	34.7	Very low	43.4	Very low	59 Å²	59	37.5 Å²	37.5	38%	0.383	23%	0.233	S	C	.	.			trans	-43.7	136.7	-157.9	-32.3	35	0	0	0	117.1
151	T	42.1	Very low	43.5	Very low	10 Å²	10	36.7 Å²	36.7	6%	0.061	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-92.3	103.1	167.4	-51	0	0	0	0	108.8	I129 L153 L160 S171	I129-T151 HydrophobicContact CB-CG2 3.74Å; I129-T151 HydrophobicContact CD1-CG2 4.02Å; I129-T151 HydrophobicContact CG1-CG2 4.17Å; T151-L153 HydrophobicContact CG2-CG 4.33Å; T151-L153 PolarHBondContact O-N 3.13Å; T151-L153 VanDerWaalsContact O-N 3.14Å; T151-L160 HydrophobicContact CG2-CD2 4.31Å; T151-S171 CarbonylContact C-O 3.29Å; T151-S171 VanDerWaalsContact C-O 3.31Å; T151-S171 PolarHBondContact N-O 3.39Å
152	T	36	Very low	43.6	Very low	36 Å²	36	36.4 Å²	36.4	22%	0.221	23%	0.226	C	C	.	.			trans	-82.7	95	-178.6	-58.2	0	0	0	0	110.7	T154 R173	T152-T154 PolarHBondContact O-N 3.11Å; T152-R173 HydrophobicContact CG2-CB 4.16Å
153	L	41.3	Very low	43.6	Very low	5 Å²	5	36.5 Å²	36.5	3%	0.026	23%	0.227	C	C	.	.			trans	-83.2	93.7	176.6	-69.1	155.5	0	0	0	110.5	F139 T151 Q157 L160 V172 R173 T174	F139-L153 HydrophobicContact CD2-CD2 4.01Å; F139-L153 HydrophobicContact CE2-CD2 4.2Å; T151-L153 HydrophobicContact CG2-CG 4.33Å; T151-L153 PolarHBondContact O-N 3.13Å; T151-L153 VanDerWaalsContact O-N 3.14Å; L153-Q157 VanDerWaalsContact C-NE2 3.27Å; L153-Q157 VanDerWaalsContact CA-NE2 3.3Å; L153-Q157 VanDerWaalsContact CB-NE2 3.3Å; L153-Q157 VanDerWaalsContact CD2-CD 3.46Å; L153-L160 HydrophobicContact CD1-CB 4.26Å; L153-L160 HydrophobicContact CD1-CD2 3.82Å; L153-V172 HydrophobicContact CB-CG1 4.13Å; L153-V172 HydrophobicContact CD1-CB 4.01Å; L153-V172 HydrophobicContact CD1-CG1 3.38Å; L153-V172 HydrophobicContact CD1-CG2 3.7Å; L153-V172 HydrophobicContact CG-CG1 4.32Å; L153-R173 CarbonylContact C-O 3.58Å; L153-R173 VanDerWaalsContact C-O 3.23Å; L153-R173 PolarHBondContact N-O 3.47Å; L153-R173 CarbonylContact O-C 3.31Å; L153-T174 WeakPolarHBondContact O-CA 3.33Å; L153-T174 WeakPolarHBondContact O-CG2 3.29Å
154	T	38.3	Very low	43.7	Very low	35 Å²	35	36.5 Å²	36.5	22%	0.215	23%	0.227	C	C	.	.			trans	-81.4	126	175.6	-40.6	0	0	0	0	109.9	T131 T152 Q157 T175	T131-T154 VanDerWaalsContact O-CB 3.3Å; T131-T154 WeakPolarHBondContact O-CB 3.2Å; T131-T154 PolarHBondContact OG1-O 3.3Å; T131-T154 VanDerWaalsContact OG1-O 3.08Å; T152-T154 PolarHBondContact O-N 3.11Å; T154-Q157 PolarHBondContact O-NE2 2.91Å; T154-Q157 VanDerWaalsContact O-NE2 3.07Å; T154-T175 WeakPolarHBondContact CG2-OG1 3.4Å
155	D	39.7	Very low	43.9	Very low	37 Å²	37	37.6 Å²	37.6	20%	0.198	24%	0.235	C	C	.	.	S	Bend	trans	63.7	128.8	167.1	-57.7	-22.9	0	0	0	120.7	Q157 T175 S176	D155-Q157 WeakPolarHBondContact O-CG 3.26Å; D155-Q157 PolarHBondContact O-N 3.25Å; D155-T175 PolarHBondContact OD1-OG1 2.04Å; D155-S176 VanDerWaalsContact CA-OG 3.27Å; D155-S176 WeakPolarHBondContact CA-OG 3.23Å; D155-S176 VanDerWaalsContact CB-OG 3.22Å; D155-S176 WeakPolarHBondContact CB-OG 3.43Å; D155-S176 VanDerWaalsContact OD1-CB 3.3Å; D155-S176 WeakPolarHBondContact OD1-CB 3.49Å; D155-S176 PolarHBondContact OD1-N 3.32Å; D155-S176 PolarHBondContact OD1-OG 3.1Å
156	N	41.4	Very low	44.2	Very low	59 Å²	59	36.6 Å²	36.6	32%	0.316	23%	0.23	S	C	.	.	S	Bend	trans	44.6	50.4	167.5	-70.7	-5.6	0	0	0	119.4	R134 V177	R134-N156 HydrophobicContact CB-CB 4.49Å; N156-V177 PolarHBondContact OD1-O 3.29Å
157	Q	48.8	Very low	44.7	Very low	8 Å²	8	38.1 Å²	38.1	4%	0.037	23%	0.229	C	C	.	.			trans	-107.2	151.8	-176	-49.5	-164.1	43.1	0	0	113.9	T131 F139 L153 T154 D155 I181	T131-Q157 PolarHBondContact OG1-NE2 2.8Å; F139-Q157 VanDerWaalsContact CE2-OE1 3.31Å; L153-Q157 VanDerWaalsContact C-NE2 3.27Å; L153-Q157 VanDerWaalsContact CA-NE2 3.3Å; L153-Q157 VanDerWaalsContact CB-NE2 3.3Å; L153-Q157 VanDerWaalsContact CD2-CD 3.46Å; T154-Q157 PolarHBondContact O-NE2 2.91Å; T154-Q157 VanDerWaalsContact O-NE2 3.07Å; D155-Q157 WeakPolarHBondContact O-CG 3.26Å; D155-Q157 PolarHBondContact O-N 3.25Å; Q157-I181 WeakPolarHBondContact O-CG1 3.12Å
158	T	46.2	Very low	45.1	Very low	50 Å²	50	34.2 Å²	34.2	31%	0.307	21%	0.205	S	C	.	.			trans	-110	-33	-171.4	46.8	0	0	0	0	114.8	P136 T182	P136-T158 HydrophobicContact CB-CG2 3.8Å; P136-T158 WeakPolarHBondContact CB-OG1 3.27Å; P136-T158 HydrophobicContact CG-CG2 4.1Å; T158-T182 PolarHBondContact O-N 3.45Å
159	S	48.8	Very low	45.4	Very low	28 Å²	28	35 Å²	35	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	138.5	179.5	-170.2	0	0	0	0	115.5	F139 T182	F139-S159 PolarHBondContact N-O 3.05Å; S159-T182 VanDerWaalsContact CA-O 3.25Å; S159-T182 WeakPolarHBondContact CA-O 3.46Å; S159-T182 PolarHBondContact OG-O 3.06Å
160	L	48.8	Very low	45.8	Very low	2 Å²	2	32.2 Å²	32.2	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.6	169.2	176.3	60.8	0	0	0	108.5	F139 T151 L153 E170 V172 T182 T183 S184	F139-L160 HydrophobicContact CB-CD1 3.48Å; F139-L160 VanDerWaalsContact CB-CD1 3.48Å; T151-L160 HydrophobicContact CG2-CD2 4.31Å; L153-L160 HydrophobicContact CD1-CB 4.26Å; L153-L160 HydrophobicContact CD1-CD2 3.82Å; L160-E170 HydrophobicContact CD2-CG 4.08Å; L160-E170 WeakPolarHBondContact CD2-OE1 3.31Å; L160-E170 WeakPolarHBondContact CG-OE1 3.45Å; L160-V172 HydrophobicContact CD2-CG2 4Å; L160-T182 PolarHBondContact N-O 3.42Å; L160-T183 HydrophobicContact CB-CG2 4.42Å; L160-T183 CarbonylContact O-C 3.58Å; L160-T183 VanDerWaalsContact O-CA 3.23Å; L160-T183 WeakPolarHBondContact O-CA 3.37Å; L160-S184 PolarHBondContact O-N 3.04Å
161	T	51.7	Low	46.2	Very low	39 Å²	39	30.2 Å²	30.2	24%	0.239	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.3	174.7	-59.2	0	0	0	0	109.7	F139 T140 S141 S184	F139-T161 PolarHBondContact O-N 3.39Å; F139-T161 VanDerWaalsContact O-O 3.11Å; T140-T161 CarbonylContact C-O 3.5Å; T140-T161 VanDerWaalsContact CA-O 3.23Å; T140-T161 WeakPolarHBondContact CA-O 3.48Å; S141-T161 PolarHBondContact N-O 3.32Å; T161-S184 CarbonylContact C-O 3.33Å; T161-S184 VanDerWaalsContact CA-O 3.31Å; T161-S184 WeakPolarHBondContact CA-O 2.92Å
162	S	51.8	Low	46.4	Very low	2 Å²	2	30.1 Å²	30.1	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.7	179.8	27.3	0	0	0	0	112.3	S141 L168 E170 S184 S185 T186	S141-S162 CarbonylContact O-C 3.29Å; S141-S162 VanDerWaalsContact O-CA 3.29Å; S141-S162 WeakPolarHBondContact O-CA 3.29Å; S141-S162 WeakPolarHBondContact OG-CB 3.31Å; S162-L168 VanDerWaalsContact OG-CD2 3.3Å; S162-L168 WeakPolarHBondContact OG-CD2 3.48Å; S162-E170 PolarHBondContact OG-OE2 2.98Å; S162-S184 PolarHBondContact N-O 2.7Å; S162-S185 CarbonylContact O-C 3.58Å; S162-S185 VanDerWaalsContact O-CA 3.23Å; S162-S185 WeakPolarHBondContact O-CA 3.39Å; S162-S185 PolarHBondContact OG-OG 3.27Å; S162-T186 PolarHBondContact O-N 2.73Å
163	T	52.5	Low	46.7	Very low	53 Å²	53	36.1 Å²	36.1	33%	0.325	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.3	-177.9	-52.9	0	0	0	0	109.3	S141 T142 P143 T186	S141-T163 PolarHBondContact O-N 3.46Å; T142-T163 CarbonylContact C-O 3.5Å; T142-T163 WeakPolarHBondContact CA-O 3.16Å; P143-T163 VanDerWaalsContact CD-O 3.28Å; P143-T163 WeakPolarHBondContact CD-O 3.49Å; T163-T186 CarbonylContact C-O 3.52Å; T163-T186 VanDerWaalsContact CA-O 3.3Å; T163-T186 WeakPolarHBondContact CA-O 3.3Å; T163-T186 VanDerWaalsContact CG2-OG1 3.26Å; T163-T186 WeakPolarHBondContact CG2-OG1 3.49Å; T163-T186 PolarHBondContact OG1-OG1 3.16Å
164	S	54.2	Low	46.8	Very low	9 Å²	9	36.5 Å²	36.5	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.2	-178.8	86.3	0	0	0	0	114.3	P143 L168 T186 V187 A188	P143-S164 VanDerWaalsContact O-CA 3.27Å; P143-S164 WeakPolarHBondContact O-CA 3.1Å; P143-S164 WeakPolarHBondContact O-CB 3.49Å; S164-L168 WeakPolarHBondContact OG-CB 3.32Å; S164-T186 PolarHBondContact N-O 2.82Å; S164-V187 CarbonylContact O-C 3.57Å; S164-V187 VanDerWaalsContact O-CA 3.23Å; S164-V187 WeakPolarHBondContact O-CA 3.41Å; S164-V187 VanDerWaalsContact OG-CG1 3.26Å; S164-V187 WeakPolarHBondContact OG-CG1 3.24Å; S164-V187 WeakPolarHBondContact OG-CG2 3.27Å; S164-A188 PolarHBondContact O-N 3.32Å
165	S	51.8	Low	47	Very low	68 Å²	68	39.6 Å²	39.6	48%	0.476	22%	0.218	S	C	.	.	S	Bend	trans	-89.6	-7	-177.2	91.7	0	0	0	0	115.2	S144 A188	S144-S165 WeakPolarHBondContact O-CB 3.33Å; S144-S165 PolarHBondContact O-OG 3.04Å; S165-A188 WeakPolarHBondContact O-CB 3.14Å
166	S	49	Very low	47	Very low	35 Å²	35	39.8 Å²	39.8	25%	0.245	22%	0.222	C	C	.	.	S	Bend	trans	-151.7	-32.4	-170.4	54.9	0	0	0	0	118.5	T145 S146 T189	T145-S166 WeakPolarHBondContact CA-OG 3.02Å; S146-S166 PolarHBondContact N-OG 3.17Å; S166-T189 CarbonylContact C-O 3.54Å; S166-T189 WeakPolarHBondContact CA-OG1 3.45Å; S166-T189 PolarHBondContact O-OG1 2.82Å
167	K	47.8	Very low	46.8	Very low	97 Å²	97	40.2 Å²	40.2	42%	0.422	23%	0.227	S	C	.	.			trans	-174.4	126.4	174.4	-175.2	174.8	179.4	-178.8	0	109.2	N190	K167-N190 WeakPolarHBondContact CA-O 3.41Å
168	L	46.9	Very low	46.5	Very low	4 Å²	4	39.9 Å²	39.9	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.6	173.3	-173.2	81.6	0	0	0	110.4	P143 S148 S162 S164 E170 S185 V187 T191 S192	P143-L168 HydrophobicContact CG-CD1 3.79Å; S148-L168 WeakPolarHBondContact OG-CD1 3.35Å; S162-L168 VanDerWaalsContact OG-CD2 3.3Å; S162-L168 WeakPolarHBondContact OG-CD2 3.48Å; S164-L168 WeakPolarHBondContact OG-CB 3.32Å; L168-E170 HydrophobicContact CD2-CB 4.47Å; L168-S185 WeakPolarHBondContact CD2-OG 3.5Å; L168-V187 HydrophobicContact CB-CG2 3.72Å; L168-V187 HydrophobicContact CD2-CG2 4.41Å; L168-T191 HydrophobicContact CB-CG2 4.22Å; L168-S192 PolarHBondContact O-N 2.92Å
169	T	45.9	Very low	46.4	Very low	33 Å²	33	41.5 Å²	41.5	20%	0.202	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	109.5	166.2	-57.3	0	0	0	0	109.2	S148 S192	S148-T169 WeakPolarHBondContact O-CB 3.5Å; S148-T169 PolarHBondContact OG-N 3.03Å; S148-T169 PolarHBondContact OG-O 3.48Å; T169-S192 VanDerWaalsContact CA-O 3.23Å; T169-S192 WeakPolarHBondContact CA-O 3.46Å; T169-S192 PolarHBondContact OG1-OG 3.16Å
170	E	43.8	Very low	46.1	Very low	8 Å²	8	44.4 Å²	44.4	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138	-178	-163.6	180	171.5	0	0	109.4	L160 S162 L168 V172 T183 S185 S192 A193 T194	L160-E170 HydrophobicContact CD2-CG 4.08Å; L160-E170 WeakPolarHBondContact CD2-OE1 3.31Å; L160-E170 WeakPolarHBondContact CG-OE1 3.45Å; S162-E170 PolarHBondContact OG-OE2 2.98Å; L168-E170 HydrophobicContact CD2-CB 4.47Å; E170-V172 HydrophobicContact CG-CG2 4.48Å; E170-T183 WeakPolarHBondContact OE1-CB 3.47Å; E170-T183 WeakPolarHBondContact OE1-CG2 3.35Å; E170-S185 PolarHBondContact OE2-OG 3.3Å; E170-S192 PolarHBondContact N-O 3.42Å; E170-A193 WeakPolarHBondContact O-CA 3.14Å; E170-T194 PolarHBondContact O-N 3.37Å
171	S	43.6	Very low	45.9	Very low	16 Å²	16	44.6 Å²	44.6	11%	0.112	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	129.5	174	-51.3	0	0	0	0	108.9	T151 T194	T151-S171 CarbonylContact C-O 3.29Å; T151-S171 VanDerWaalsContact C-O 3.31Å; T151-S171 PolarHBondContact N-O 3.39Å; S171-T194 VanDerWaalsContact CA-O 3.32Å; S171-T194 WeakPolarHBondContact CA-O 3.46Å
172	V	45.3	Very low	45.7	Very low	8 Å²	8	45.2 Å²	45.2	5%	0.048	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-122.9	101.1	-168.2	170.5	0	0	0	0	110.9	L153 L160 E170 T174 I181 T183 P196	L153-V172 HydrophobicContact CB-CG1 4.13Å; L153-V172 HydrophobicContact CD1-CB 4.01Å; L153-V172 HydrophobicContact CD1-CG1 3.38Å; L153-V172 HydrophobicContact CD1-CG2 3.7Å; L153-V172 HydrophobicContact CG-CG1 4.32Å; L160-V172 HydrophobicContact CD2-CG2 4Å; E170-V172 HydrophobicContact CG-CG2 4.48Å; V172-T174 HydrophobicContact CG1-CG2 4.26Å; V172-I181 HydrophobicContact CG1-CD1 4.49Å; V172-T183 HydrophobicContact CG2-CG2 3.93Å; V172-P196 WeakPolarHBondContact O-CD 3.46Å; V172-P196 WeakPolarHBondContact O-CG 3.17Å
173	R	44	Very low	45.5	Very low	162 Å²	162	45.3 Å²	45.3	61%	0.611	25%	0.254	S	S	*	.			trans	-104	116.2	-178.3	177.4	-177.3	-174.8	165.5	2.9	111.9	T152 L153 P196	T152-R173 HydrophobicContact CG2-CB 4.16Å; L153-R173 CarbonylContact C-O 3.58Å; L153-R173 VanDerWaalsContact C-O 3.23Å; L153-R173 PolarHBondContact N-O 3.47Å; L153-R173 CarbonylContact O-C 3.31Å; R173-P196 HydrophobicContact CB-CB 4.49Å; R173-P196 HydrophobicContact CB-CG 4.25Å
174	T	42	Very low	45.3	Very low	13 Å²	13	44.2 Å²	44.2	8%	0.08	25%	0.248	C	C	.	.			trans	-108.8	149.9	175.7	70.1	0	0	0	0	111.9	L153 V172 P178 I181 V198	L153-T174 WeakPolarHBondContact O-CA 3.33Å; L153-T174 WeakPolarHBondContact O-CG2 3.29Å; V172-T174 HydrophobicContact CG1-CG2 4.26Å; T174-P178 HydrophobicContact CG2-CG 3.66Å; T174-P178 WeakPolarHBondContact OG1-CG 3.33Å; T174-I181 HydrophobicContact CG2-CD1 3.93Å; T174-V198 VanDerWaalsContact OG1-CG1 3.32Å; T174-V198 WeakPolarHBondContact OG1-CG1 3.25Å
175	T	42	Very low	45.2	Very low	101 Å²	101	43.8 Å²	43.8	62%	0.62	25%	0.245	S	C	*	.	S	Bend	trans	-109.4	-12.5	176.9	42.2	0	0	0	0	114.4	T154 D155	T154-T175 WeakPolarHBondContact CG2-OG1 3.4Å; D155-T175 PolarHBondContact OD1-OG1 2.04Å
176	S	41.1	Very low	45	Very low	40 Å²	40	43 Å²	43	28%	0.28	24%	0.238	S	C	.	.	S	Bend	trans	-131.1	158.7	175.5	57	0	0	0	0	110.6	D155 P178	D155-S176 VanDerWaalsContact CA-OG 3.27Å; D155-S176 WeakPolarHBondContact CA-OG 3.23Å; D155-S176 VanDerWaalsContact CB-OG 3.22Å; D155-S176 WeakPolarHBondContact CB-OG 3.43Å; D155-S176 VanDerWaalsContact OD1-CB 3.3Å; D155-S176 WeakPolarHBondContact OD1-CB 3.49Å; D155-S176 PolarHBondContact OD1-N 3.32Å; D155-S176 PolarHBondContact OD1-OG 3.1Å; S176-P178 WeakPolarHBondContact O-CD 3.22Å; S176-P178 VanDerWaalsContact O-CG 3.26Å; S176-P178 WeakPolarHBondContact O-CG 3.37Å; S176-P178 VanDerWaalsContact O-N 3.07Å
177	V	37.3	Very low	45.2	Very low	69 Å²	69	41.7 Å²	41.7	42%	0.418	23%	0.228	S	C	.	.			trans	-58.9	97.3	-171.8	-170.3	0	0	0	0	111.4	N156 T200	N156-V177 PolarHBondContact OD1-O 3.29Å; V177-T200 VanDerWaalsContact CG1-O 3.26Å; V177-T200 WeakPolarHBondContact CG1-O 3.45Å; V177-T200 WeakPolarHBondContact CG2-OG1 3.39Å
178	P	42	Very low	45.3	Very low	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.			trans	-78.6	142.2	174.8	-4.6	26.5	0	0	0	108.2	T174 S176 I181 V198	T174-P178 HydrophobicContact CG2-CG 3.66Å; T174-P178 WeakPolarHBondContact OG1-CG 3.33Å; S176-P178 WeakPolarHBondContact O-CD 3.22Å; S176-P178 VanDerWaalsContact O-CG 3.26Å; S176-P178 WeakPolarHBondContact O-CG 3.37Å; S176-P178 VanDerWaalsContact O-N 3.07Å; P178-I181 HydrophobicContact CB-CD1 3.54Å; P178-I181 HydrophobicContact CB-CG1 3.71Å; P178-I181 HydrophobicContact CG-CD1 3.61Å; P178-I181 HydrophobicContact CG-CG1 4.36Å; P178-V198 HydrophobicContact CG-CG1 4.48Å
179	T	43.4	Very low	45.3	Very low	84 Å²	84	41 Å²	41	52%	0.515	24%	0.236	S	C	.	.	S	Bend	trans	-102.1	121.9	169.7	-36.6	0	0	0	0	107.4	T202	T179-T202 WeakPolarHBondContact CG2-OG1 3.37Å
180	N	44.2	Very low	45.1	Very low	89 Å²	89	42.9 Å²	42.9	48%	0.476	25%	0.245	S	C	.	.			trans	58.1	73.6	174.7	-54.1	-22.7	0	0	0	114.5
181	I	42.7	Very low	45.2	Very low	6 Å²	6	42.7 Å²	42.7	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.9	166.8	-63.5	164.8	0	0	0	108.5	Q157 V172 T174 P178 T183 F204 D205	Q157-I181 WeakPolarHBondContact O-CG1 3.12Å; V172-I181 HydrophobicContact CG1-CD1 4.49Å; T174-I181 HydrophobicContact CG2-CD1 3.93Å; P178-I181 HydrophobicContact CB-CD1 3.54Å; P178-I181 HydrophobicContact CB-CG1 3.71Å; P178-I181 HydrophobicContact CG-CD1 3.61Å; P178-I181 HydrophobicContact CG-CG1 4.36Å; I181-T183 HydrophobicContact CG2-CG2 3.95Å; I181-F204 HydrophobicContact CB-CD2 3.67Å; I181-F204 HydrophobicContact CB-CE2 3.84Å; I181-F204 HydrophobicContact CD1-CD2 4.17Å; I181-F204 HydrophobicContact CD1-CE2 4.26Å; I181-F204 HydrophobicContact CG1-CD2 4.49Å; I181-F204 HydrophobicContact CG2-CD2 3.92Å; I181-F204 HydrophobicContact CG2-CE2 3.53Å; I181-F204 HydrophobicContact CG2-CZ 4.5Å; I181-D205 PolarHBondContact O-N 3.04Å
182	T	48.8	Very low	45.1	Very low	52 Å²	52	42.8 Å²	42.8	32%	0.319	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.2	167.2	-53.5	0	0	0	0	110.4	T158 S159 L160 D205	T158-T182 PolarHBondContact O-N 3.45Å; S159-T182 VanDerWaalsContact CA-O 3.25Å; S159-T182 WeakPolarHBondContact CA-O 3.46Å; S159-T182 PolarHBondContact OG-O 3.06Å; L160-T182 PolarHBondContact N-O 3.42Å; T182-D205 CarbonylContact C-O 3.47Å; T182-D205 VanDerWaalsContact CA-O 3.26Å; T182-D205 WeakPolarHBondContact CA-O 3.49Å
183	T	46.8	Very low	45	Very low	4 Å²	4	42.6 Å²	42.6	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.6	170.3	57.8	0	0	0	0	109.8	L160 E170 V172 I181 F204 D205 T206 S207	L160-T183 HydrophobicContact CB-CG2 4.42Å; L160-T183 CarbonylContact O-C 3.58Å; L160-T183 VanDerWaalsContact O-CA 3.23Å; L160-T183 WeakPolarHBondContact O-CA 3.37Å; E170-T183 WeakPolarHBondContact OE1-CB 3.47Å; E170-T183 WeakPolarHBondContact OE1-CG2 3.35Å; V172-T183 HydrophobicContact CG2-CG2 3.93Å; I181-T183 HydrophobicContact CG2-CG2 3.95Å; T183-F204 HydrophobicContact CG2-CE2 4.3Å; T183-F204 HydrophobicContact CG2-CZ 3.98Å; T183-D205 PolarHBondContact N-O 3.46Å; T183-T206 CarbonylContact O-C 3.49Å; T183-T206 VanDerWaalsContact O-CA 3.31Å; T183-T206 WeakPolarHBondContact O-CA 3.39Å; T183-T206 WeakPolarHBondContact OG1-CA 3.45Å; T183-T206 VanDerWaalsContact OG1-CB 3.29Å; T183-T206 WeakPolarHBondContact OG1-CB 3.43Å; T183-T206 WeakPolarHBondContact OG1-CG2 3.46Å; T183-T206 PolarHBondContact OG1-OG1 3.48Å; T183-S207 PolarHBondContact O-N 3.09Å
184	S	49.5	Very low	44.8	Very low	30 Å²	30	37.4 Å²	37.4	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.5	176.7	179.9	0	0	0	0	110.6	L160 T161 S162 S207	L160-S184 PolarHBondContact O-N 3.04Å; T161-S184 CarbonylContact C-O 3.33Å; T161-S184 VanDerWaalsContact CA-O 3.31Å; T161-S184 WeakPolarHBondContact CA-O 2.92Å; S162-S184 PolarHBondContact N-O 2.7Å; S184-S207 CarbonylContact C-O 3.38Å; S184-S207 VanDerWaalsContact CA-O 3.32Å; S184-S207 WeakPolarHBondContact CA-O 3.39Å; S184-S207 WeakPolarHBondContact CB-OG 3.39Å; S184-S207 PolarHBondContact OG-OG 2.98Å
185	S	50.8	Low	44.8	Very low	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.3	-178.5	-87.8	0	0	0	0	112.4	S162 L168 E170 S207 Q208 T209	S162-S185 CarbonylContact O-C 3.58Å; S162-S185 VanDerWaalsContact O-CA 3.23Å; S162-S185 WeakPolarHBondContact O-CA 3.39Å; S162-S185 PolarHBondContact OG-OG 3.27Å; L168-S185 WeakPolarHBondContact CD2-OG 3.5Å; E170-S185 PolarHBondContact OE2-OG 3.3Å; S185-S207 PolarHBondContact N-O 3.39Å; S185-Q208 CarbonylContact O-C 3.59Å; S185-Q208 VanDerWaalsContact O-CA 3.27Å; S185-Q208 WeakPolarHBondContact O-CA 3.42Å; S185-T209 PolarHBondContact O-N 2.95Å
186	T	48.2	Very low	44.6	Very low	53 Å²	53	33.7 Å²	33.7	33%	0.325	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.4	173.4	52	0	0	0	0	109.9	S162 T163 S164 T209	S162-T186 PolarHBondContact O-N 2.73Å; T163-T186 CarbonylContact C-O 3.52Å; T163-T186 VanDerWaalsContact CA-O 3.3Å; T163-T186 WeakPolarHBondContact CA-O 3.3Å; T163-T186 VanDerWaalsContact CG2-OG1 3.26Å; T163-T186 WeakPolarHBondContact CG2-OG1 3.49Å; T163-T186 PolarHBondContact OG1-OG1 3.16Å; S164-T186 PolarHBondContact N-O 2.82Å; T186-T209 CarbonylContact C-O 3.48Å; T186-T209 WeakPolarHBondContact CA-O 3.32Å
187	V	53.3	Low	44.2	Very low	6 Å²	6	37.3 Å²	37.3	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.2	-176.1	-172.9	0	0	0	0	112.4	S164 L168 T189 T191 T209 S210 S211	S164-V187 CarbonylContact O-C 3.57Å; S164-V187 VanDerWaalsContact O-CA 3.23Å; S164-V187 WeakPolarHBondContact O-CA 3.41Å; S164-V187 VanDerWaalsContact OG-CG1 3.26Å; S164-V187 WeakPolarHBondContact OG-CG1 3.24Å; S164-V187 WeakPolarHBondContact OG-CG2 3.27Å; L168-V187 HydrophobicContact CB-CG2 3.72Å; L168-V187 HydrophobicContact CD2-CG2 4.41Å; V187-T189 WeakPolarHBondContact CG1-O 3.28Å; V187-T191 VanDerWaalsContact CB-OG1 3.28Å; V187-T191 WeakPolarHBondContact CB-OG1 3.21Å; V187-T191 HydrophobicContact CG2-CG2 3.79Å; V187-T191 WeakPolarHBondContact CG2-OG1 3.33Å; V187-T209 PolarHBondContact N-O 2.74Å; V187-S210 CarbonylContact O-C 3.59Å; V187-S210 VanDerWaalsContact O-CA 3.25Å; V187-S210 WeakPolarHBondContact O-CA 3.3Å; V187-S211 PolarHBondContact O-N 3.16Å
188	A	49.2	Very low	44.3	Very low	36 Å²	36	34.6 Å²	34.6	30%	0.298	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-43.3	174.7	0	0	0	0	0	111.9	S164 S165 S211 T212	S164-A188 PolarHBondContact O-N 3.32Å; S165-A188 WeakPolarHBondContact O-CB 3.14Å; A188-S211 VanDerWaalsContact CA-OG 3.26Å; A188-S211 WeakPolarHBondContact CA-OG 3.26Å; A188-S211 PolarHBondContact O-N 2.95Å; A188-S211 PolarHBondContact O-OG 2.82Å; A188-T212 PolarHBondContact O-N 3.08Å; A188-T212 PolarHBondContact O-OG1 3.18Å
189	T	47.3	Very low	44.1	Very low	50 Å²	50	41.4 Å²	41.4	31%	0.307	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.6	173.9	44.9	0	0	0	0	115.7	S166 V187 T212	S166-T189 CarbonylContact C-O 3.54Å; S166-T189 WeakPolarHBondContact CA-OG1 3.45Å; S166-T189 PolarHBondContact O-OG1 2.82Å; V187-T189 WeakPolarHBondContact CG1-O 3.28Å; T189-T212 WeakPolarHBondContact CA-O 3.44Å; T189-T212 WeakPolarHBondContact CG2-OG1 3.44Å
190	N	43	Very low	43.9	Very low	73 Å²	73	41 Å²	41	39%	0.39	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.9	115.6	172.5	-61.9	-41.2	0	0	0	117.9	K167 T212 Q214	K167-N190 WeakPolarHBondContact CA-O 3.41Å; N190-T212 PolarHBondContact N-O 3.24Å; N190-Q214 CarbonylContact C-O 3.59Å; N190-Q214 VanDerWaalsContact CA-O 3.31Å; N190-Q214 WeakPolarHBondContact CA-O 3.37Å; N190-Q214 PolarHBondContact OD1-N 2.81Å
191	T	45.8	Very low	43.6	Very low	4 Å²	4	37.3 Å²	37.3	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.1	176	-40	0	0	0	0	112.1	L168 V187 Q208 Q214 T215 Q216	L168-T191 HydrophobicContact CB-CG2 4.22Å; V187-T191 VanDerWaalsContact CB-OG1 3.28Å; V187-T191 WeakPolarHBondContact CB-OG1 3.21Å; V187-T191 HydrophobicContact CG2-CG2 3.79Å; V187-T191 WeakPolarHBondContact CG2-OG1 3.33Å; T191-Q208 VanDerWaalsContact CG2-CD 3.42Å; T191-Q214 PolarHBondContact N-O 3.36Å; T191-T215 WeakPolarHBondContact O-CA 2.98Å; T191-Q216 PolarHBondContact O-N 3.46Å
192	S	40.9	Very low	43.6	Very low	19 Å²	19	41.7 Å²	41.7	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.3	170.2	64.3	0	0	0	0	111	L168 T169 E170 Q216	L168-S192 PolarHBondContact O-N 2.92Å; T169-S192 VanDerWaalsContact CA-O 3.23Å; T169-S192 WeakPolarHBondContact CA-O 3.46Å; T169-S192 PolarHBondContact OG1-OG 3.16Å; E170-S192 PolarHBondContact N-O 3.42Å; S192-Q216 CarbonylContact C-O 3.56Å; S192-Q216 WeakPolarHBondContact CA-O 3.44Å
193	A	42.9	Very low	43.3	Very low	4 Å²	4	40.7 Å²	40.7	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.5	171	0	0	0	0	0	110.3	E170 Q216 F218	E170-A193 WeakPolarHBondContact O-CA 3.14Å; A193-Q216 PolarHBondContact N-O 2.87Å; A193-F218 PolarHBondContact O-N 3.37Å
194	T	39.3	Very low	43.2	Very low	52 Å²	52	40.9 Å²	40.9	32%	0.319	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109	169.5	-54	0	0	0	0	108.9	E170 S171 P196 F218	E170-T194 PolarHBondContact O-N 3.37Å; S171-T194 VanDerWaalsContact CA-O 3.32Å; S171-T194 WeakPolarHBondContact CA-O 3.46Å; T194-P196 VanDerWaalsContact O-CD 3.3Å; T194-P196 WeakPolarHBondContact O-CD 3.2Å; T194-F218 CarbonylContact C-O 3.57Å; T194-F218 VanDerWaalsContact CA-O 3.31Å; T194-F218 WeakPolarHBondContact CA-O 3.37Å; T194-F218 HydrophobicContact CG2-CB 4.28Å
195	V	43.3	Very low	43	Very low	9 Å²	9	42.4 Å²	42.4	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.6	174.4	-172.4	0	0	0	0	108.8	F204 F218 T219 T220 F227	V195-F204 HydrophobicContact CB-CE1 4.27Å; V195-F204 HydrophobicContact CG1-CD1 4.16Å; V195-F204 HydrophobicContact CG1-CE1 3.74Å; V195-F204 HydrophobicContact CG1-CE2 4.34Å; V195-F204 HydrophobicContact CG1-CZ 3.89Å; V195-F204 HydrophobicContact CG2-CD1 4.38Å; V195-F204 HydrophobicContact CG2-CE1 3.48Å; V195-F204 VanDerWaalsContact CG2-CE1 3.48Å; V195-F204 HydrophobicContact CG2-CZ 3.94Å; V195-F218 PolarHBondContact N-O 3.06Å; V195-T219 HydrophobicContact CB-CG2 3.6Å; V195-T219 HydrophobicContact CG1-CG2 4.31Å; V195-T219 HydrophobicContact CG2-CG2 3.54Å; V195-T219 WeakPolarHBondContact O-CA 3.43Å; V195-T220 PolarHBondContact O-N 2.85Å; V195-T220 PolarHBondContact O-OG1 3.22Å; V195-F227 HydrophobicContact CG2-CE1 4.18Å; V195-F227 HydrophobicContact CG2-CZ 4.24Å
196	P	37.2	Very low	42.9	Very low	27 Å²	27	42.5 Å²	42.5	18%	0.175	25%	0.248	C	C	.	.			trans	-72.4	161.5	177.7	-20.2	37.6	0	0	0	113	V172 R173 T194 V198	V172-P196 WeakPolarHBondContact O-CD 3.46Å; V172-P196 WeakPolarHBondContact O-CG 3.17Å; R173-P196 HydrophobicContact CB-CB 4.49Å; R173-P196 HydrophobicContact CB-CG 4.25Å; T194-P196 VanDerWaalsContact O-CD 3.3Å; T194-P196 WeakPolarHBondContact O-CD 3.2Å; P196-V198 WeakPolarHBondContact O-CG2 3.48Å; P196-V198 PolarHBondContact O-N 3.28Å
197	Q	33.3	Very low	43	Very low	117 Å²	117	41.9 Å²	41.9	55%	0.547	25%	0.246	S	C	.	.			trans	-51.9	120.6	169.2	-120.9	-144.3	-63.5	0	0	111	T220	Q197-T220 PolarHBondContact N-OG1 2.93Å
198	V	39	Very low	43	Very low	11 Å²	11	41.7 Å²	41.7	7%	0.067	24%	0.244	C	C	.	.			trans	-115.9	123.3	169.1	-154.8	0	0	0	0	107.2	T174 P178 P196 T200 T201 D221	T174-V198 VanDerWaalsContact OG1-CG1 3.32Å; T174-V198 WeakPolarHBondContact OG1-CG1 3.25Å; P178-V198 HydrophobicContact CG-CG1 4.48Å; P196-V198 WeakPolarHBondContact O-CG2 3.48Å; P196-V198 PolarHBondContact O-N 3.28Å; V198-T200 PolarHBondContact O-N 2.93Å; V198-T201 WeakPolarHBondContact CB-OG1 3.43Å; V198-T201 WeakPolarHBondContact CG1-OG1 3.38Å; V198-T201 WeakPolarHBondContact CG2-OG1 3.48Å; V198-D221 WeakPolarHBondContact CB-OD2 3.08Å; V198-D221 VanDerWaalsContact CG2-OD2 3.31Å; V198-D221 WeakPolarHBondContact CG2-OD2 3.27Å; V198-D221 VanDerWaalsContact N-CG 3.33Å; V198-D221 PolarHBondContact N-OD2 2.82Å; V198-D221 VanDerWaalsContact O-OD2 3.08Å
199	N	38.3	Very low	43.1	Very low	144 Å²	144	42.4 Å²	42.4	77%	0.77	25%	0.245	S	C	*	.	S	Bend	trans	-64.7	-18.2	-175.1	-83.4	-16.8	0	0	0	113.2
200	T	37.9	Very low	43.4	Very low	76 Å²	76	40 Å²	40	47%	0.466	23%	0.231	S	C	.	.			trans	-165.3	108	176.5	45.8	0	0	0	0	109.1	V177 V198	V177-T200 VanDerWaalsContact CG1-O 3.26Å; V177-T200 WeakPolarHBondContact CG1-O 3.45Å; V177-T200 WeakPolarHBondContact CG2-OG1 3.39Å; V198-T200 PolarHBondContact O-N 2.93Å
201	T	38.4	Very low	43.8	Very low	11 Å²	11	39.2 Å²	39.2	7%	0.067	23%	0.231	C	C	.	.			trans	-118.6	142.8	163.6	-43.1	0	0	0	0	108.8	V198 S203 T223	V198-T201 WeakPolarHBondContact CB-OG1 3.43Å; V198-T201 WeakPolarHBondContact CG1-OG1 3.38Å; V198-T201 WeakPolarHBondContact CG2-OG1 3.48Å; T201-S203 WeakPolarHBondContact CG2-O 3.43Å; T201-T223 WeakPolarHBondContact O-CB 3.47Å; T201-T223 WeakPolarHBondContact O-CG2 3.37Å
202	T	42.3	Very low	43.7	Very low	97 Å²	97	41.9 Å²	41.9	60%	0.595	25%	0.247	S	C	*	.	S	Bend	trans	-88.5	-23.7	177.2	49.8	0	0	0	0	113.9	T179	T179-T202 WeakPolarHBondContact CG2-OG1 3.37Å
203	S	42	Very low	43.7	Very low	31 Å²	31	41.7 Å²	41.7	22%	0.217	25%	0.248	C	C	.	.			trans	-168.1	137.9	171.7	-171.8	0	0	0	0	109.7	T201	T201-S203 WeakPolarHBondContact CG2-O 3.43Å
204	F	45.8	Very low	43.7	Very low	8 Å²	8	44 Å²	44	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.4	175.1	-175.2	-93.8	0	0	0	108.5	I181 T183 V195 T206 A225 T226 F227	I181-F204 HydrophobicContact CB-CD2 3.67Å; I181-F204 HydrophobicContact CB-CE2 3.84Å; I181-F204 HydrophobicContact CD1-CD2 4.17Å; I181-F204 HydrophobicContact CD1-CE2 4.26Å; I181-F204 HydrophobicContact CG1-CD2 4.49Å; I181-F204 HydrophobicContact CG2-CD2 3.92Å; I181-F204 HydrophobicContact CG2-CE2 3.53Å; I181-F204 HydrophobicContact CG2-CZ 4.5Å; T183-F204 HydrophobicContact CG2-CE2 4.3Å; T183-F204 HydrophobicContact CG2-CZ 3.98Å; V195-F204 HydrophobicContact CB-CE1 4.27Å; V195-F204 HydrophobicContact CG1-CD1 4.16Å; V195-F204 HydrophobicContact CG1-CE1 3.74Å; V195-F204 HydrophobicContact CG1-CE2 4.34Å; V195-F204 HydrophobicContact CG1-CZ 3.89Å; V195-F204 HydrophobicContact CG2-CD1 4.38Å; V195-F204 HydrophobicContact CG2-CE1 3.48Å; V195-F204 VanDerWaalsContact CG2-CE1 3.48Å; V195-F204 HydrophobicContact CG2-CZ 3.94Å; F204-T206 WeakPolarHBondContact CE1-OG1 3.49Å; F204-A225 HydrophobicContact CB-CB 4.05Å; F204-A225 HydrophobicContact CD1-CB 4.32Å; F204-A225 WeakPolarHBondContact O-CA 3.45Å; F204-A225 WeakPolarHBondContact O-CB 3.25Å; F204-T226 PolarHBondContact O-N 2.93Å; F204-F227 HydrophobicContact CD1-CE1 4.34Å; F204-F227 HydrophobicContact CD1-CZ 4.24Å; F204-F227 HydrophobicContact CE1-CE1 4.2Å; F204-F227 HydrophobicContact CE1-CZ 4.41Å
205	D	45.1	Very low	43.8	Very low	63 Å²	63	41.9 Å²	41.9	34%	0.337	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.2	-179.9	-71.4	-30.7	0	0	0	109.7	I181 T182 T183 T226	I181-D205 PolarHBondContact O-N 3.04Å; T182-D205 CarbonylContact C-O 3.47Å; T182-D205 VanDerWaalsContact CA-O 3.26Å; T182-D205 WeakPolarHBondContact CA-O 3.49Å; T183-D205 PolarHBondContact N-O 3.46Å; D205-T226 WeakPolarHBondContact CA-O 3.42Å; D205-T226 VanDerWaalsContact OD1-CB 3.28Å; D205-T226 WeakPolarHBondContact OD1-CB 3.41Å
206	T	48	Very low	43.6	Very low	2 Å²	2	44.2 Å²	44.2	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125	171.1	-62.9	0	0	0	0	109.9	T183 F204 Q208 T226 F227 T228	T183-T206 CarbonylContact O-C 3.49Å; T183-T206 VanDerWaalsContact O-CA 3.31Å; T183-T206 WeakPolarHBondContact O-CA 3.39Å; T183-T206 WeakPolarHBondContact OG1-CA 3.45Å; T183-T206 VanDerWaalsContact OG1-CB 3.29Å; T183-T206 WeakPolarHBondContact OG1-CB 3.43Å; T183-T206 WeakPolarHBondContact OG1-CG2 3.46Å; T183-T206 PolarHBondContact OG1-OG1 3.48Å; F204-T206 WeakPolarHBondContact CE1-OG1 3.49Å; T206-Q208 HydrophobicContact CG2-CG 3.86Å; T206-T226 PolarHBondContact N-O 3.32Å; T206-F227 HydrophobicContact CG2-CD1 4.23Å; T206-F227 HydrophobicContact CG2-CE1 4.43Å; T206-F227 WeakPolarHBondContact O-CA 3.07Å; T206-T228 PolarHBondContact O-N 3.48Å
207	S	51.5	Low	43.7	Very low	39 Å²	39	43 Å²	43	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.6	169.9	62.1	0	0	0	0	110.7	T183 S184 S185 T228	T183-S207 PolarHBondContact O-N 3.09Å; S184-S207 CarbonylContact C-O 3.38Å; S184-S207 VanDerWaalsContact CA-O 3.32Å; S184-S207 WeakPolarHBondContact CA-O 3.39Å; S184-S207 WeakPolarHBondContact CB-OG 3.39Å; S184-S207 PolarHBondContact OG-OG 2.98Å; S185-S207 PolarHBondContact N-O 3.39Å; S207-T228 CarbonylContact C-O 3.16Å; S207-T228 WeakPolarHBondContact CA-O 3.33Å
208	Q	52.3	Low	43.9	Very low	2 Å²	2	40.9 Å²	40.9	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.6	176.5	-59.8	-142.3	-30.3	0	0	111.8	S185 T191 T206 T215 T228 S229 T230	S185-Q208 CarbonylContact O-C 3.59Å; S185-Q208 VanDerWaalsContact O-CA 3.27Å; S185-Q208 WeakPolarHBondContact O-CA 3.42Å; T191-Q208 VanDerWaalsContact CG2-CD 3.42Å; T206-Q208 HydrophobicContact CG2-CG 3.86Å; Q208-T215 HydrophobicContact CB-CG2 4.26Å; Q208-T228 PolarHBondContact N-O 2.96Å; Q208-S229 CarbonylContact O-C 3.54Å; Q208-S229 WeakPolarHBondContact O-CA 3.32Å; Q208-T230 PolarHBondContact O-N 3.11Å
209	T	51.5	Low	43.9	Very low	52 Å²	52	40.6 Å²	40.6	32%	0.319	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.2	174.6	-49.9	0	0	0	0	109	S185 T186 V187 T230	S185-T209 PolarHBondContact O-N 2.95Å; T186-T209 CarbonylContact C-O 3.48Å; T186-T209 WeakPolarHBondContact CA-O 3.32Å; V187-T209 PolarHBondContact N-O 2.74Å; T209-T230 WeakPolarHBondContact CA-O 3.32Å; T209-T230 WeakPolarHBondContact CG2-O 3.21Å
210	S	53.2	Low	43.8	Very low	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.7	173.3	73.8	0	0	0	0	110.8	V187 G213 T230 S232	V187-S210 CarbonylContact O-C 3.59Å; V187-S210 VanDerWaalsContact O-CA 3.25Å; V187-S210 WeakPolarHBondContact O-CA 3.3Å; S210-G213 PolarHBondContact OG-O 3.45Å; S210-G213 VanDerWaalsContact OG-O 3.05Å; S210-T230 PolarHBondContact N-O 2.03Å; S210-S232 WeakPolarHBondContact O-CB 3.24Å; S210-S232 PolarHBondContact O-N 3.01Å; S210-S232 PolarHBondContact O-OG 3.43Å
211	S	51.7	Low	43.7	Very low	56 Å²	56	34.3 Å²	34.3	39%	0.392	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-33.6	178.7	82.5	0	0	0	0	112.7	V187 A188 S232 T233	V187-S211 PolarHBondContact O-N 3.16Å; A188-S211 VanDerWaalsContact CA-OG 3.26Å; A188-S211 WeakPolarHBondContact CA-OG 3.26Å; A188-S211 PolarHBondContact O-N 2.95Å; A188-S211 PolarHBondContact O-OG 2.82Å; S211-S232 WeakPolarHBondContact O-CB 3.39Å; S211-T233 PolarHBondContact O-N 3.47Å; S211-T233 PolarHBondContact O-OG1 3.23Å
212	T	43	Very low	43.8	Very low	59 Å²	59	42.1 Å²	42.1	36%	0.362	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	124.4	174.6	43.6	0	0	0	0	109.5	A188 T189 N190 T233	A188-T212 PolarHBondContact O-N 3.08Å; A188-T212 PolarHBondContact O-OG1 3.18Å; T189-T212 WeakPolarHBondContact CA-O 3.44Å; T189-T212 WeakPolarHBondContact CG2-OG1 3.44Å; N190-T212 PolarHBondContact N-O 3.24Å; T212-T233 WeakPolarHBondContact CG2-OG1 3.48Å
213	G	42.6	Very low	43.6	Very low	15 Å²	15	38.8 Å²	38.8	16%	0.155	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.6	-175.4	170.3	0	0	0	0	0	118.6	S210 T233	S210-G213 PolarHBondContact OG-O 3.45Å; S210-G213 VanDerWaalsContact OG-O 3.05Å; G213-T233 PolarHBondContact N-O 3.26Å
214	Q	42	Very low	43.5	Very low	54 Å²	54	40.6 Å²	40.6	25%	0.252	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.5	-162.2	-172.1	-167.9	70.9	0	0	113.4	N190 T191 Q216 T237	N190-Q214 CarbonylContact C-O 3.59Å; N190-Q214 VanDerWaalsContact CA-O 3.31Å; N190-Q214 WeakPolarHBondContact CA-O 3.37Å; N190-Q214 PolarHBondContact OD1-N 2.81Å; T191-Q214 PolarHBondContact N-O 3.36Å; Q214-Q216 HydrophobicContact CG-CG 4.02Å; Q214-Q216 VanDerWaalsContact OE1-CD 3.29Å; Q214-T237 WeakPolarHBondContact CG-OG1 3.18Å; Q214-T237 VanDerWaalsContact NE2-CB 3.3Å; Q214-T237 PolarHBondContact NE2-OG1 2.73Å
215	T	40.5	Very low	43.4	Very low	6 Å²	6	40.6 Å²	40.6	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.2	168.5	-57.2	0	0	0	0	109.1	T191 Q208 I217	T191-T215 WeakPolarHBondContact O-CA 2.98Å; Q208-T215 HydrophobicContact CB-CG2 4.26Å; T215-I217 HydrophobicContact CG2-CD1 4.42Å; T215-I217 HydrophobicContact CG2-CG1 4.27Å
216	Q	40.1	Very low	43.4	Very low	58 Å²	58	39.9 Å²	39.9	27%	0.271	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125	173.8	-68.9	-172.4	90.8	0	0	110	T191 S192 A193 Q214 F218	T191-Q216 PolarHBondContact O-N 3.46Å; S192-Q216 CarbonylContact C-O 3.56Å; S192-Q216 WeakPolarHBondContact CA-O 3.44Å; A193-Q216 PolarHBondContact N-O 2.87Å; Q214-Q216 HydrophobicContact CG-CG 4.02Å; Q214-Q216 VanDerWaalsContact OE1-CD 3.29Å; Q216-F218 HydrophobicContact CB-CE2 4.01Å
217	I	39.7	Very low	43.3	Very low	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.9	175.8	-56.6	161.6	0	0	0	106.9	T215 T219 F227 T239 T240	T215-I217 HydrophobicContact CG2-CD1 4.42Å; T215-I217 HydrophobicContact CG2-CG1 4.27Å; I217-T219 HydrophobicContact CG2-CG2 4.12Å; I217-F227 HydrophobicContact CD1-CB 4.15Å; I217-F227 HydrophobicContact CD1-CD1 3.77Å; I217-F227 HydrophobicContact CD1-CG 4.17Å; I217-F227 HydrophobicContact CG2-CD1 3.81Å; I217-F227 HydrophobicContact CG2-CE1 3.58Å; I217-F227 HydrophobicContact CG2-CZ 4.13Å; I217-T239 HydrophobicContact CB-CG2 3.74Å; I217-T239 HydrophobicContact CD1-CG2 4.16Å; I217-T239 HydrophobicContact CG1-CG2 4.23Å; I217-T240 CarbonylContact O-C 3.51Å
218	F	37.6	Very low	43.1	Very low	73 Å²	73	40.5 Å²	40.5	32%	0.32	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.7	170.6	-63.8	-82.7	0	0	0	107.8	A193 T194 V195 Q216	A193-F218 PolarHBondContact O-N 3.37Å; T194-F218 CarbonylContact C-O 3.57Å; T194-F218 VanDerWaalsContact CA-O 3.31Å; T194-F218 WeakPolarHBondContact CA-O 3.37Å; T194-F218 HydrophobicContact CG2-CB 4.28Å; V195-F218 PolarHBondContact N-O 3.06Å; Q216-F218 HydrophobicContact CB-CE2 4.01Å
219	T	38.2	Very low	42.8	Very low	4 Å²	4	40.9 Å²	40.9	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144	173.5	56.5	0	0	0	0	108.7	V195 I217 F227 T242 Q245	V195-T219 HydrophobicContact CB-CG2 3.6Å; V195-T219 HydrophobicContact CG1-CG2 4.31Å; V195-T219 HydrophobicContact CG2-CG2 3.54Å; V195-T219 WeakPolarHBondContact O-CA 3.43Å; I217-T219 HydrophobicContact CG2-CG2 4.12Å; T219-F227 HydrophobicContact CG2-CE1 4.19Å; T219-F227 HydrophobicContact CG2-CE2 3.96Å; T219-F227 HydrophobicContact CG2-CZ 3.38Å; T219-T242 VanDerWaalsContact O-CB 3.31Å; T219-T242 WeakPolarHBondContact O-CB 3.4Å; T219-T242 PolarHBondContact OG1-O 2.92Å; T219-Q245 PolarHBondContact OG1-NE2 3.38Å
220	T	36.7	Very low	42.8	Very low	75 Å²	75	40.7 Å²	40.7	46%	0.46	22%	0.223	S	C	.	.			trans	-118.4	7.5	175.9	46.3	0	0	0	0	113	V195 Q197	V195-T220 PolarHBondContact O-N 2.85Å; V195-T220 PolarHBondContact O-OG1 3.22Å; Q197-T220 PolarHBondContact N-OG1 2.93Å
221	D	35.6	Very low	42.6	Very low	13 Å²	13	41.2 Å²	41.2	7%	0.07	23%	0.227	C	C	.	.			trans	-99.8	151.3	-175.2	-162.9	8.3	0	0	0	113.2	V198 T223	V198-D221 WeakPolarHBondContact CB-OD2 3.08Å; V198-D221 VanDerWaalsContact CG2-OD2 3.31Å; V198-D221 WeakPolarHBondContact CG2-OD2 3.27Å; V198-D221 VanDerWaalsContact N-CG 3.33Å; V198-D221 PolarHBondContact N-OD2 2.82Å; V198-D221 VanDerWaalsContact O-OD2 3.08Å; D221-T223 PolarHBondContact OD2-OG1 2.86Å
222	R	39.5	Very low	42.4	Very low	176 Å²	176	40.9 Å²	40.9	66%	0.664	22%	0.224	S	C	*	.			trans	-90	2.7	-179.8	-67.2	-175.8	177.4	132.5	0.9	114.2	N244	R222-N244 HydrophobicContact CB-CB 4.44Å
223	T	39.5	Very low	42.2	Very low	26 Å²	26	40.8 Å²	40.8	16%	0.16	22%	0.224	C	C	.	.	S	Bend	trans	-95.7	143.3	-178.3	58.2	0	0	0	0	113.1	T201 D221 A225	T201-T223 WeakPolarHBondContact O-CB 3.47Å; T201-T223 WeakPolarHBondContact O-CG2 3.37Å; D221-T223 PolarHBondContact OD2-OG1 2.86Å; T223-A225 PolarHBondContact O-N 2.91Å
224	P	39	Very low	41.9	Very low	70 Å²	70	43.2 Å²	43.2	46%	0.455	24%	0.238	S	C	.	.			trans	-52.2	128.8	174.8	-27.4	36.1	0	0	0	112.5	T246	P224-T246 HydrophobicContact CB-CG2 3.99Å; P224-T246 WeakPolarHBondContact CB-OG1 3.38Å; P224-T246 HydrophobicContact CG-CG2 4.17Å
225	A	43.9	Very low	41.7	Very low	7 Å²	7	44.4 Å²	44.4	6%	0.058	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147	177.5	0	0	0	0	0	109.5	F204 T223 F227	F204-A225 HydrophobicContact CB-CB 4.05Å; F204-A225 HydrophobicContact CD1-CB 4.32Å; F204-A225 WeakPolarHBondContact O-CA 3.45Å; F204-A225 WeakPolarHBondContact O-CB 3.25Å; T223-A225 PolarHBondContact O-N 2.91Å; A225-F227 HydrophobicContact CB-CD2 4.4Å; A225-F227 HydrophobicContact CB-CE2 3.54Å; A225-F227 HydrophobicContact CB-CZ 3.84Å
226	T	44.3	Very low	41.6	Very low	49 Å²	49	44.9 Å²	44.9	30%	0.301	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.2	175.1	-44.9	0	0	0	0	109.1	F204 D205 T206	F204-T226 PolarHBondContact O-N 2.93Å; D205-T226 WeakPolarHBondContact CA-O 3.42Å; D205-T226 VanDerWaalsContact OD1-CB 3.28Å; D205-T226 WeakPolarHBondContact OD1-CB 3.41Å; T206-T226 PolarHBondContact N-O 3.32Å
227	F	46	Very low	41.3	Very low	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.6	177.7	-67.4	-80.7	0	0	0	109.8	V195 F204 T206 I217 T219 A225 L241 S247 L248 T249	V195-F227 HydrophobicContact CG2-CE1 4.18Å; V195-F227 HydrophobicContact CG2-CZ 4.24Å; F204-F227 HydrophobicContact CD1-CE1 4.34Å; F204-F227 HydrophobicContact CD1-CZ 4.24Å; F204-F227 HydrophobicContact CE1-CE1 4.2Å; F204-F227 HydrophobicContact CE1-CZ 4.41Å; T206-F227 HydrophobicContact CG2-CD1 4.23Å; T206-F227 HydrophobicContact CG2-CE1 4.43Å; T206-F227 WeakPolarHBondContact O-CA 3.07Å; I217-F227 HydrophobicContact CD1-CB 4.15Å; I217-F227 HydrophobicContact CD1-CD1 3.77Å; I217-F227 HydrophobicContact CD1-CG 4.17Å; I217-F227 HydrophobicContact CG2-CD1 3.81Å; I217-F227 HydrophobicContact CG2-CE1 3.58Å; I217-F227 HydrophobicContact CG2-CZ 4.13Å; T219-F227 HydrophobicContact CG2-CE1 4.19Å; T219-F227 HydrophobicContact CG2-CE2 3.96Å; T219-F227 HydrophobicContact CG2-CZ 3.38Å; A225-F227 HydrophobicContact CB-CD2 4.4Å; A225-F227 HydrophobicContact CB-CE2 3.54Å; A225-F227 HydrophobicContact CB-CZ 3.84Å; F227-L241 HydrophobicContact CD2-CD2 4Å; F227-L241 HydrophobicContact CE2-CD2 4.11Å; F227-S247 PolarHBondContact N-O 2.83Å; F227-L248 HydrophobicContact CB-CD1 3.47Å; F227-L248 VanDerWaalsContact CB-CD1 3.47Å; F227-T249 PolarHBondContact O-N 2.92Å; F227-T249 VanDerWaalsContact O-O 3.09Å
228	T	47.8	Very low	41	Very low	54 Å²	54	47.9 Å²	47.9	33%	0.331	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.7	171.4	-57.3	0	0	0	0	109.4	T206 S207 Q208 T249	T206-T228 PolarHBondContact O-N 3.48Å; S207-T228 CarbonylContact C-O 3.16Å; S207-T228 WeakPolarHBondContact CA-O 3.33Å; Q208-T228 PolarHBondContact N-O 2.96Å; T228-T249 CarbonylContact C-O 3.53Å; T228-T249 VanDerWaalsContact CA-O 3.28Å; T228-T249 WeakPolarHBondContact CA-O 3.37Å
229	S	46.9	Very low	41.2	Very low	10 Å²	10	45 Å²	45	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.3	174.5	60.6	0	0	0	0	111	Q208 P231 T249 S250 T251	Q208-S229 CarbonylContact O-C 3.54Å; Q208-S229 WeakPolarHBondContact O-CA 3.32Å; S229-P231 VanDerWaalsContact C-CD 3.5Å; S229-T249 PolarHBondContact N-O 2.93Å; S229-S250 CarbonylContact O-C 3.53Å; S229-S250 WeakPolarHBondContact O-CA 3.27Å; S229-S250 WeakPolarHBondContact OG-CB 3.45Å; S229-T251 PolarHBondContact O-N 3.37Å; S229-T251 PolarHBondContact O-OG1 3.11Å
230	T	51.7	Low	41	Very low	48 Å²	48	46.6 Å²	46.6	29%	0.294	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	77.4	177.7	-51.1	0	0	0	0	111.3	Q208 T209 S210 T251	Q208-T230 PolarHBondContact O-N 3.11Å; T209-T230 WeakPolarHBondContact CA-O 3.32Å; T209-T230 WeakPolarHBondContact CG2-O 3.21Å; S210-T230 PolarHBondContact N-O 2.03Å; T230-T251 CarbonylContact C-O 3.27Å; T230-T251 VanDerWaalsContact CA-O 3.22Å; T230-T251 WeakPolarHBondContact CA-O 3.38Å; T230-T251 WeakPolarHBondContact CG2-OG1 3.17Å; T230-T251 PolarHBondContact OG1-OG1 2.04Å
231	P	49.2	Very low	41.1	Very low	11 Å²	11	43.3 Å²	43.3	7%	0.071	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.5	172.9	25.6	-31.2	0	0	0	112	S229 T251 S252 L256	S229-P231 VanDerWaalsContact C-CD 3.5Å; P231-T251 VanDerWaalsContact CD-O 3.25Å; P231-T251 WeakPolarHBondContact CD-O 3.23Å; P231-S252 WeakPolarHBondContact O-CA 3.29Å; P231-S252 WeakPolarHBondContact O-CB 3.42Å; P231-L256 HydrophobicContact CG-CD1 3.86Å
232	S	46.7	Very low	41.1	Very low	49 Å²	49	44.4 Å²	44.4	34%	0.343	26%	0.261	S	S	.	.			trans	-79.5	-27.5	-177.7	-57.6	0	0	0	0	113.6	S210 S211 S253	S210-S232 WeakPolarHBondContact O-CB 3.24Å; S210-S232 PolarHBondContact O-N 3.01Å; S210-S232 PolarHBondContact O-OG 3.43Å; S211-S232 WeakPolarHBondContact O-CB 3.39Å; S232-S253 WeakPolarHBondContact O-CB 3.41Å; S232-S253 PolarHBondContact O-OG 2.88Å
233	T	39.8	Very low	41	Very low	57 Å²	57	37.7 Å²	37.7	35%	0.35	24%	0.238	S	C	.	.	S	Bend	trans	-157	137.3	174.3	52.4	0	0	0	0	114.4	S211 T212 G213	S211-T233 PolarHBondContact O-N 3.47Å; S211-T233 PolarHBondContact O-OG1 3.23Å; T212-T233 WeakPolarHBondContact CG2-OG1 3.48Å; G213-T233 PolarHBondContact N-O 3.26Å
234	S	35.8	Very low	41	Very low	65 Å²	65	39.1 Å²	39.1	46%	0.455	25%	0.245	S	C	.	.	S	Bend	trans	56.8	119.4	163.5	69.4	0	0	0	0	120.7	S254	S234-S254 PolarHBondContact N-OG 2.99Å
235	T	37.9	Very low	41.3	Very low	80 Å²	80	36.1 Å²	36.1	49%	0.491	23%	0.225	S	C	.	.			trans	53.5	80.2	156.6	57.5	0	0	0	0	116.4
236	S	37.6	Very low	41.4	Very low	16 Å²	16	38.1 Å²	38.1	11%	0.112	24%	0.237	C	C	.	.			trans	-69.8	148.6	158.8	55.1	0	0	0	0	110.4	L256 T257	S236-L256 WeakPolarHBondContact OG-CD1 3.35Å; S236-T257 WeakPolarHBondContact O-CB 3.35Å; S236-T257 PolarHBondContact OG-N 2.85Å; S236-T257 PolarHBondContact OG-O 3.03Å
237	T	35.1	Very low	41.4	Very low	65 Å²	65	37.2 Å²	37.2	40%	0.399	23%	0.232	S	C	.	.			trans	-124.8	157.3	174.5	-3	0	0	0	0	106.7	Q214	Q214-T237 WeakPolarHBondContact CG-OG1 3.18Å; Q214-T237 VanDerWaalsContact NE2-CB 3.3Å; Q214-T237 PolarHBondContact NE2-OG1 2.73Å
238	P	33	Very low	41.4	Very low	58 Å²	58	37.2 Å²	37.2	38%	0.377	23%	0.232	S	C	.	.			trans	-40.8	134.7	-154.7	-34.5	34.6	0	0	0	117.9
239	T	41	Very low	41.4	Very low	12 Å²	12	36.3 Å²	36.3	7%	0.074	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-89.7	102.3	167.5	-50.7	0	0	0	0	109.4	I217 L241 L248 S259	I217-T239 HydrophobicContact CB-CG2 3.74Å; I217-T239 HydrophobicContact CD1-CG2 4.16Å; I217-T239 HydrophobicContact CG1-CG2 4.23Å; T239-L241 HydrophobicContact CG2-CG 4.32Å; T239-L241 PolarHBondContact O-N 3.14Å; T239-L248 HydrophobicContact CG2-CD2 4.35Å; T239-S259 CarbonylContact C-O 3.54Å; T239-S259 VanDerWaalsContact C-O 3.29Å; T239-S259 WeakPolarHBondContact CA-O 3.43Å; T239-S259 PolarHBondContact N-O 3.06Å
240	T	34	Very low	41.5	Very low	38 Å²	38	36 Å²	36	23%	0.233	22%	0.224	C	C	.	.			trans	-82	87	-177.3	-54.8	0	0	0	0	111	I217 T242 R261	I217-T240 CarbonylContact O-C 3.51Å; T240-T242 PolarHBondContact O-N 3.23Å; T240-R261 HydrophobicContact CG2-CB 4.23Å
241	L	38.9	Very low	41.4	Very low	5 Å²	5	35.6 Å²	35.6	3%	0.026	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-76.4	99.3	173.6	-67.1	160.2	0	0	0	110.7	F227 T239 L248 V260 R261 T262	F227-L241 HydrophobicContact CD2-CD2 4Å; F227-L241 HydrophobicContact CE2-CD2 4.11Å; T239-L241 HydrophobicContact CG2-CG 4.32Å; T239-L241 PolarHBondContact O-N 3.14Å; L241-L248 HydrophobicContact CD1-CB 4.29Å; L241-L248 HydrophobicContact CD1-CD2 3.88Å; L241-V260 HydrophobicContact CB-CG1 4.13Å; L241-V260 HydrophobicContact CD1-CB 4.08Å; L241-V260 HydrophobicContact CD1-CG1 3.49Å; L241-V260 VanDerWaalsContact CD1-CG1 3.49Å; L241-V260 HydrophobicContact CD1-CG2 3.73Å; L241-V260 HydrophobicContact CG-CG1 4.37Å; L241-R261 CarbonylContact C-O 3.58Å; L241-R261 CarbonylContact O-C 3.59Å; L241-T262 WeakPolarHBondContact O-CA 3.45Å; L241-T262 VanDerWaalsContact O-CG2 3.25Å; L241-T262 WeakPolarHBondContact O-CG2 3.34Å; L241-T262 PolarHBondContact O-N 3.4Å
242	T	35.5	Very low	41.5	Very low	36 Å²	36	35.7 Å²	35.7	22%	0.221	22%	0.223	C	C	.	.			trans	-88	129	176	-46.6	0	0	0	0	109.5	T219 T240 Q245 T263	T219-T242 VanDerWaalsContact O-CB 3.31Å; T219-T242 WeakPolarHBondContact O-CB 3.4Å; T219-T242 PolarHBondContact OG1-O 2.92Å; T240-T242 PolarHBondContact O-N 3.23Å; T242-Q245 PolarHBondContact O-NE2 2.79Å; T242-Q245 VanDerWaalsContact O-NE2 3.13Å; T242-T263 VanDerWaalsContact CG2-OG1 3.23Å; T242-T263 WeakPolarHBondContact CG2-OG1 2.99Å
243	D	36.8	Very low	41.5	Very low	35 Å²	35	36.1 Å²	36.1	19%	0.187	23%	0.226	C	C	.	.	S	Bend	trans	63	126.2	168.5	-62.9	-22.4	0	0	0	121	Q245 T263 S264	D243-Q245 WeakPolarHBondContact O-CG 3.42Å; D243-Q245 PolarHBondContact O-N 2.79Å; D243-T263 WeakPolarHBondContact OD1-CB 3.29Å; D243-T263 PolarHBondContact OD1-N 3.42Å; D243-T263 PolarHBondContact OD1-OG1 3.01Å; D243-S264 WeakPolarHBondContact CA-OG 3.42Å; D243-S264 WeakPolarHBondContact CB-OG 3.46Å; D243-S264 VanDerWaalsContact OD1-CB 3.31Å; D243-S264 WeakPolarHBondContact OD1-CB 3.35Å; D243-S264 PolarHBondContact OD1-N 2.84Å; D243-S264 PolarHBondContact OD1-OG 3.46Å
244	N	39.3	Very low	41.8	Very low	56 Å²	56	35.1 Å²	35.1	30%	0.299	22%	0.221	S	C	.	.	S	Bend	trans	45.8	54	166.4	-69.2	-6.3	0	0	0	119.5	R222 S264 V265	R222-N244 HydrophobicContact CB-CB 4.44Å; N244-S264 PolarHBondContact N-OG 2.87Å; N244-S264 PolarHBondContact OD1-OG 3.2Å; N244-V265 PolarHBondContact OD1-O 2.89Å
245	Q	47	Very low	42.2	Very low	7 Å²	7	36.7 Å²	36.7	3%	0.033	22%	0.22	C	C	.	.			trans	-112.9	156.4	-178.1	-65.9	178.8	65.3	0	0	114.6	T219 T242 D243 I269	T219-Q245 PolarHBondContact OG1-NE2 3.38Å; T242-Q245 PolarHBondContact O-NE2 2.79Å; T242-Q245 VanDerWaalsContact O-NE2 3.13Å; D243-Q245 WeakPolarHBondContact O-CG 3.42Å; D243-Q245 PolarHBondContact O-N 2.79Å; Q245-I269 WeakPolarHBondContact O-CG1 3.46Å
246	T	44.5	Very low	42.5	Very low	50 Å²	50	33.1 Å²	33.1	31%	0.307	20%	0.198	S	C	.	.			trans	-113.3	-28.8	-169.5	47.9	0	0	0	0	115.5	P224 N268 T270	P224-T246 HydrophobicContact CB-CG2 3.99Å; P224-T246 WeakPolarHBondContact CB-OG1 3.38Å; P224-T246 HydrophobicContact CG-CG2 4.17Å; T246-N268 CarbonylContact C-O 3.53Å; T246-T270 PolarHBondContact O-N 2.81Å
247	S	44.7	Very low	42.8	Very low	29 Å²	29	33.9 Å²	33.9	20%	0.203	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	135.5	-177.1	-168.4	0	0	0	0	115.5	F227 T270	F227-S247 PolarHBondContact N-O 2.83Å; S247-T270 CarbonylContact C-O 3.59Å; S247-T270 VanDerWaalsContact CA-O 3.3Å; S247-T270 WeakPolarHBondContact CA-O 3.25Å; S247-T270 PolarHBondContact OG-O 2.91Å
248	L	46.3	Very low	43.1	Very low	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123	170.3	174.8	60.7	0	0	0	109.1	F227 T239 L241 E258 V260 T270 T271 S272	F227-L248 HydrophobicContact CB-CD1 3.47Å; F227-L248 VanDerWaalsContact CB-CD1 3.47Å; T239-L248 HydrophobicContact CG2-CD2 4.35Å; L241-L248 HydrophobicContact CD1-CB 4.29Å; L241-L248 HydrophobicContact CD1-CD2 3.88Å; L248-E258 HydrophobicContact CD2-CG 3.93Å; L248-E258 WeakPolarHBondContact CD2-OE1 3.04Å; L248-E258 WeakPolarHBondContact CG-OE1 3.46Å; L248-V260 HydrophobicContact CD2-CG2 4.03Å; L248-T270 PolarHBondContact N-O 3.24Å; L248-T271 HydrophobicContact CB-CG2 4.36Å; L248-T271 CarbonylContact O-C 3.59Å; L248-T271 VanDerWaalsContact O-CA 3.28Å; L248-T271 WeakPolarHBondContact O-CA 3.13Å; L248-S272 PolarHBondContact O-N 2.81Å
249	T	48.7	Very low	43.4	Very low	35 Å²	35	29.2 Å²	29.2	22%	0.215	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.6	176.2	-59.3	0	0	0	0	110.1	F227 T228 S229 S272	F227-T249 PolarHBondContact O-N 2.92Å; F227-T249 VanDerWaalsContact O-O 3.09Å; T228-T249 CarbonylContact C-O 3.53Å; T228-T249 VanDerWaalsContact CA-O 3.28Å; T228-T249 WeakPolarHBondContact CA-O 3.37Å; S229-T249 PolarHBondContact N-O 2.93Å; T249-S272 WeakPolarHBondContact CA-O 3.49Å; T249-S272 WeakPolarHBondContact CG2-OG 3.38Å; T249-S272 PolarHBondContact OG1-OG 3.47Å
250	S	48.7	Very low	43.5	Very low	2 Å²	2	29.1 Å²	29.1	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.3	-176.1	56.4	0	0	0	0	111.4	S229 L256 E258 S272 S273 T274	S229-S250 CarbonylContact O-C 3.53Å; S229-S250 WeakPolarHBondContact O-CA 3.27Å; S229-S250 WeakPolarHBondContact OG-CB 3.45Å; S250-L256 VanDerWaalsContact CB-CD2 3.48Å; S250-L256 WeakPolarHBondContact OG-CD2 3.04Å; S250-E258 PolarHBondContact OG-OE2 3.07Å; S250-S272 PolarHBondContact N-O 2.84Å; S250-S272 PolarHBondContact OG-O 3.09Å; S250-S273 CarbonylContact O-C 3.49Å; S250-S273 WeakPolarHBondContact O-CA 3.27Å; S250-S273 WeakPolarHBondContact OG-CB 3.33Å; S250-T274 PolarHBondContact O-N 3.47Å
251	T	49.7	Very low	43.8	Very low	41 Å²	41	35 Å²	35	25%	0.252	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.6	-179.2	42.1	0	0	0	0	109.7	S229 T230 P231 T274	S229-T251 PolarHBondContact O-N 3.37Å; S229-T251 PolarHBondContact O-OG1 3.11Å; T230-T251 CarbonylContact C-O 3.27Å; T230-T251 VanDerWaalsContact CA-O 3.22Å; T230-T251 WeakPolarHBondContact CA-O 3.38Å; T230-T251 WeakPolarHBondContact CG2-OG1 3.17Å; T230-T251 PolarHBondContact OG1-OG1 2.04Å; P231-T251 VanDerWaalsContact CD-O 3.25Å; P231-T251 WeakPolarHBondContact CD-O 3.23Å; T251-T274 WeakPolarHBondContact CA-O 3.25Å; T251-T274 WeakPolarHBondContact CG2-OG1 3.44Å
252	S	50.2	Low	43.8	Very low	13 Å²	13	35.1 Å²	35.1	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.9	-179.5	84.1	0	0	0	0	114	P231 T274 V275 A276	P231-S252 WeakPolarHBondContact O-CA 3.29Å; P231-S252 WeakPolarHBondContact O-CB 3.42Å; S252-T274 PolarHBondContact N-O 3.1Å; S252-V275 VanDerWaalsContact O-CA 3.25Å; S252-V275 WeakPolarHBondContact O-CA 3.36Å; S252-V275 WeakPolarHBondContact OG-CG1 3.24Å; S252-V275 WeakPolarHBondContact OG-CG2 3.46Å; S252-A276 PolarHBondContact O-N 2.86Å
253	S	47.8	Very low	44	Very low	57 Å²	57	38.1 Å²	38.1	40%	0.399	21%	0.209	S	C	.	.	S	Bend	trans	-84.8	-19.9	-178.1	75.7	0	0	0	0	114.5	S232 A276	S232-S253 WeakPolarHBondContact O-CB 3.41Å; S232-S253 PolarHBondContact O-OG 2.88Å; S253-A276 WeakPolarHBondContact O-CB 3.37Å
254	S	45.4	Very low	44.1	Very low	37 Å²	37	38.1 Å²	38.1	26%	0.259	21%	0.211	S	C	.	.	S	Bend	trans	-147.1	-36.8	-159.7	47.6	0	0	0	0	117.5	S234 T277	S234-S254 PolarHBondContact N-OG 2.99Å; S254-T277 CarbonylContact C-O 3.57Å; S254-T277 WeakPolarHBondContact CA-OG1 3.31Å; S254-T277 PolarHBondContact O-OG1 3.48Å
255	K	44.6	Very low	43.9	Very low	98 Å²	98	38.6 Å²	38.6	43%	0.426	22%	0.216	S	C	.	.			trans	-172	120.2	174.5	-174.6	174.5	179.4	-179.5	0	110	N278	K255-N278 WeakPolarHBondContact CA-O 3.47Å
256	L	44.1	Very low	43.5	Very low	5 Å²	5	38.3 Å²	38.3	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.7	173	-169.9	81.5	0	0	0	110.6	P231 S236 S250 E258 V275 T279 S280	P231-L256 HydrophobicContact CG-CD1 3.86Å; S236-L256 WeakPolarHBondContact OG-CD1 3.35Å; S250-L256 VanDerWaalsContact CB-CD2 3.48Å; S250-L256 WeakPolarHBondContact OG-CD2 3.04Å; L256-E258 HydrophobicContact CD2-CB 4.33Å; L256-V275 HydrophobicContact CB-CG2 3.92Å; L256-T279 HydrophobicContact CB-CG2 4.23Å; L256-S280 PolarHBondContact O-N 3.31Å; L256-S280 VanDerWaalsContact O-N 3.13Å
257	T	43.7	Very low	43.4	Very low	31 Å²	31	39.9 Å²	39.9	19%	0.19	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	111.7	162.5	-56.3	0	0	0	0	109	S236 S280	S236-T257 WeakPolarHBondContact O-CB 3.35Å; S236-T257 PolarHBondContact OG-N 2.85Å; S236-T257 PolarHBondContact OG-O 3.03Å; T257-S280 VanDerWaalsContact CA-O 3.27Å; T257-S280 WeakPolarHBondContact CA-O 3.42Å; T257-S280 PolarHBondContact OG1-OG 2.74Å
258	E	41.1	Very low	43.3	Very low	12 Å²	12	42.8 Å²	42.8	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.4	179	-162	173.7	143.6	0	0	109.5	L248 S250 L256 T271 T282	L248-E258 HydrophobicContact CD2-CG 3.93Å; L248-E258 WeakPolarHBondContact CD2-OE1 3.04Å; L248-E258 WeakPolarHBondContact CG-OE1 3.46Å; S250-E258 PolarHBondContact OG-OE2 3.07Å; L256-E258 HydrophobicContact CD2-CB 4.33Å; E258-T271 WeakPolarHBondContact OE1-CB 3.47Å; E258-T271 VanDerWaalsContact OE1-CG2 3.23Å; E258-T271 WeakPolarHBondContact OE1-CG2 3.35Å; E258-T282 PolarHBondContact O-N 3.01Å
259	S	40.2	Very low	43	Very low	13 Å²	13	43 Å²	43	9%	0.091	24%	0.239	C	C	.	.			trans	-147.7	134.3	174.2	-49.5	0	0	0	0	108.1	T239 T282	T239-S259 CarbonylContact C-O 3.54Å; T239-S259 VanDerWaalsContact C-O 3.29Å; T239-S259 WeakPolarHBondContact CA-O 3.43Å; T239-S259 PolarHBondContact N-O 3.06Å; S259-T282 VanDerWaalsContact CA-O 3.3Å; S259-T282 WeakPolarHBondContact CA-O 3.22Å
260	V	42	Very low	42.9	Very low	10 Å²	10	44 Å²	44	6%	0.061	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-127.4	110.9	-170.7	170.4	0	0	0	0	109.8	L241 L248 T262 I269 T271 P284	L241-V260 HydrophobicContact CB-CG1 4.13Å; L241-V260 HydrophobicContact CD1-CB 4.08Å; L241-V260 HydrophobicContact CD1-CG1 3.49Å; L241-V260 VanDerWaalsContact CD1-CG1 3.49Å; L241-V260 HydrophobicContact CD1-CG2 3.73Å; L241-V260 HydrophobicContact CG-CG1 4.37Å; L248-V260 HydrophobicContact CD2-CG2 4.03Å; V260-T262 HydrophobicContact CG1-CG2 4.35Å; V260-I269 HydrophobicContact CG1-CD1 4.39Å; V260-T271 HydrophobicContact CG2-CG2 4.09Å; V260-P284 WeakPolarHBondContact O-CD 3.36Å; V260-P284 WeakPolarHBondContact O-CG 2.86Å
261	R	41.1	Very low	42.7	Very low	161 Å²	161	44.2 Å²	44.2	61%	0.608	25%	0.246	S	C	*	.			trans	-117.1	106.2	-177.2	179.5	-172	-179.1	166.8	2.2	112.4	T240 L241 P284	T240-R261 HydrophobicContact CG2-CB 4.23Å; L241-R261 CarbonylContact C-O 3.58Å; L241-R261 CarbonylContact O-C 3.59Å; R261-P284 HydrophobicContact CB-CB 4.38Å; R261-P284 HydrophobicContact CB-CG 4.35Å
262	T	39.3	Very low	42.5	Very low	9 Å²	9	43.6 Å²	43.6	6%	0.055	24%	0.244	C	C	.	.			trans	-101.3	147.5	177.7	59.9	0	0	0	0	112	L241 V260 P266 I269 V286	L241-T262 WeakPolarHBondContact O-CA 3.45Å; L241-T262 VanDerWaalsContact O-CG2 3.25Å; L241-T262 WeakPolarHBondContact O-CG2 3.34Å; L241-T262 PolarHBondContact O-N 3.4Å; V260-T262 HydrophobicContact CG1-CG2 4.35Å; T262-P266 HydrophobicContact CG2-CG 3.6Å; T262-P266 WeakPolarHBondContact OG1-CG 3.31Å; T262-I269 HydrophobicContact CG2-CD1 4.19Å; T262-V286 VanDerWaalsContact OG1-CG1 3.31Å; T262-V286 WeakPolarHBondContact OG1-CG1 3.23Å
263	T	39.2	Very low	42.4	Very low	99 Å²	99	43.1 Å²	43.1	61%	0.607	24%	0.24	S	C	*	.	S	Bend	trans	-105.3	-10.7	175.2	41.4	0	0	0	0	114.3	T242 D243	T242-T263 VanDerWaalsContact CG2-OG1 3.23Å; T242-T263 WeakPolarHBondContact CG2-OG1 2.99Å; D243-T263 WeakPolarHBondContact OD1-CB 3.29Å; D243-T263 PolarHBondContact OD1-N 3.42Å; D243-T263 PolarHBondContact OD1-OG1 3.01Å
264	S	38.4	Very low	42.3	Very low	35 Å²	35	43.7 Å²	43.7	25%	0.245	24%	0.241	C	C	.	.	S	Bend	trans	-130.2	157.8	175.1	53.5	0	0	0	0	110.7	D243 N244 P266	D243-S264 WeakPolarHBondContact CA-OG 3.42Å; D243-S264 WeakPolarHBondContact CB-OG 3.46Å; D243-S264 VanDerWaalsContact OD1-CB 3.31Å; D243-S264 WeakPolarHBondContact OD1-CB 3.35Å; D243-S264 PolarHBondContact OD1-N 2.84Å; D243-S264 PolarHBondContact OD1-OG 3.46Å; N244-S264 PolarHBondContact N-OG 2.87Å; N244-S264 PolarHBondContact OD1-OG 3.2Å; S264-P266 WeakPolarHBondContact O-CD 3.02Å; S264-P266 VanDerWaalsContact O-CG 3.29Å; S264-P266 WeakPolarHBondContact O-CG 3.39Å; S264-P266 VanDerWaalsContact O-N 3.09Å
265	V	34.8	Very low	42.6	Very low	66 Å²	66	42.2 Å²	42.2	40%	0.4	23%	0.231	S	C	.	.			trans	-61	97.7	-170.1	-168.7	0	0	0	0	111.4	N244 T288	N244-V265 PolarHBondContact OD1-O 2.89Å; V265-T288 WeakPolarHBondContact CG1-O 3.41Å; V265-T288 WeakPolarHBondContact CG2-OG1 3.25Å
266	P	39.5	Very low	42.6	Very low	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.			trans	-77.3	140.1	174.3	-5.5	27.5	0	0	0	108	T262 S264 I269	T262-P266 HydrophobicContact CG2-CG 3.6Å; T262-P266 WeakPolarHBondContact OG1-CG 3.31Å; S264-P266 WeakPolarHBondContact O-CD 3.02Å; S264-P266 VanDerWaalsContact O-CG 3.29Å; S264-P266 WeakPolarHBondContact O-CG 3.39Å; S264-P266 VanDerWaalsContact O-N 3.09Å; P266-I269 HydrophobicContact CB-CD1 3.53Å; P266-I269 HydrophobicContact CB-CG1 3.68Å; P266-I269 HydrophobicContact CG-CD1 3.61Å; P266-I269 HydrophobicContact CG-CG1 4.33Å
267	T	41.6	Very low	42.6	Very low	83 Å²	83	41.5 Å²	41.5	51%	0.509	24%	0.239	S	C	.	.	S	Bend	trans	-99.7	124.4	169.1	-33.5	0	0	0	0	107.3	T290	T267-T290 WeakPolarHBondContact CG2-OG1 3.11Å
268	N	42.9	Very low	42.4	Very low	90 Å²	90	43.7 Å²	43.7	48%	0.481	25%	0.249	S	C	.	.			trans	58.5	66.7	173.1	-52.9	-19.8	0	0	0	114.6	T246 T270	T246-N268 CarbonylContact C-O 3.53Å; N268-T270 PolarHBondContact O-N 3.5Å
269	I	40.4	Very low	42.4	Very low	6 Å²	6	43.3 Å²	43.3	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.7	167.1	-65.7	163.1	0	0	0	108.2	Q245 V260 T262 P266 T271 F292 D293	Q245-I269 WeakPolarHBondContact O-CG1 3.46Å; V260-I269 HydrophobicContact CG1-CD1 4.39Å; T262-I269 HydrophobicContact CG2-CD1 4.19Å; P266-I269 HydrophobicContact CB-CD1 3.53Å; P266-I269 HydrophobicContact CB-CG1 3.68Å; P266-I269 HydrophobicContact CG-CD1 3.61Å; P266-I269 HydrophobicContact CG-CG1 4.33Å; I269-T271 HydrophobicContact CG2-CG2 3.94Å; I269-F292 HydrophobicContact CB-CD2 3.69Å; I269-F292 HydrophobicContact CB-CE2 3.98Å; I269-F292 HydrophobicContact CD1-CD2 4.25Å; I269-F292 HydrophobicContact CD1-CE2 4.47Å; I269-F292 HydrophobicContact CG2-CD2 3.82Å; I269-F292 HydrophobicContact CG2-CE2 3.54Å; I269-D293 PolarHBondContact O-N 2.68Å
270	T	45.6	Very low	42.3	Very low	55 Å²	55	43.8 Å²	43.8	34%	0.337	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.9	167	-52	0	0	0	0	109.5	T246 S247 L248 N268 D293	T246-T270 PolarHBondContact O-N 2.81Å; S247-T270 CarbonylContact C-O 3.59Å; S247-T270 VanDerWaalsContact CA-O 3.3Å; S247-T270 WeakPolarHBondContact CA-O 3.25Å; S247-T270 PolarHBondContact OG-O 2.91Å; L248-T270 PolarHBondContact N-O 3.24Å; N268-T270 PolarHBondContact O-N 3.5Å; T270-D293 CarbonylContact C-O 3.31Å; T270-D293 VanDerWaalsContact CA-O 3.27Å; T270-D293 WeakPolarHBondContact CA-O 3.23Å
271	T	44.3	Very low	42.2	Very low	7 Å²	7	43.6 Å²	43.6	4%	0.043	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.1	167.3	57.9	0	0	0	0	109.5	L248 E258 V260 I269 F292 D293 T294 S295	L248-T271 HydrophobicContact CB-CG2 4.36Å; L248-T271 CarbonylContact O-C 3.59Å; L248-T271 VanDerWaalsContact O-CA 3.28Å; L248-T271 WeakPolarHBondContact O-CA 3.13Å; E258-T271 WeakPolarHBondContact OE1-CB 3.47Å; E258-T271 VanDerWaalsContact OE1-CG2 3.23Å; E258-T271 WeakPolarHBondContact OE1-CG2 3.35Å; V260-T271 HydrophobicContact CG2-CG2 4.09Å; I269-T271 HydrophobicContact CG2-CG2 3.94Å; T271-F292 HydrophobicContact CG2-CE2 4.27Å; T271-F292 HydrophobicContact CG2-CZ 4.11Å; T271-D293 PolarHBondContact N-O 3.06Å; T271-T294 CarbonylContact O-C 3.49Å; T271-T294 VanDerWaalsContact O-CA 3.29Å; T271-T294 WeakPolarHBondContact O-CA 3.14Å; T271-T294 WeakPolarHBondContact OG1-CB 3.24Å; T271-T294 WeakPolarHBondContact OG1-CG2 3.11Å; T271-T294 PolarHBondContact OG1-OG1 2.98Å; T271-S295 PolarHBondContact O-N 3.43Å
272	S	46.5	Very low	41.9	Very low	29 Å²	29	38.6 Å²	38.6	20%	0.203	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.2	176.4	65.6	0	0	0	0	111	L248 T249 S250 S295	L248-S272 PolarHBondContact O-N 2.81Å; T249-S272 WeakPolarHBondContact CA-O 3.49Å; T249-S272 WeakPolarHBondContact CG2-OG 3.38Å; T249-S272 PolarHBondContact OG1-OG 3.47Å; S250-S272 PolarHBondContact N-O 2.84Å; S250-S272 PolarHBondContact OG-O 3.09Å; S272-S295 CarbonylContact C-O 3.53Å; S272-S295 VanDerWaalsContact CA-O 3.26Å; S272-S295 WeakPolarHBondContact CA-O 3.48Å; S272-S295 VanDerWaalsContact CB-OG 3.23Å; S272-S295 WeakPolarHBondContact CB-OG 3.38Å
273	S	48.3	Very low	41.9	Very low	3 Å²	3	38.9 Å²	38.9	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.6	177	80.2	0	0	0	0	113	S250 S295 Q296 T297	S250-S273 CarbonylContact O-C 3.49Å; S250-S273 WeakPolarHBondContact O-CA 3.27Å; S250-S273 WeakPolarHBondContact OG-CB 3.33Å; S273-S295 PolarHBondContact N-O 3.05Å; S273-Q296 WeakPolarHBondContact O-CA 3.22Å; S273-Q296 WeakPolarHBondContact OG-CG 3.33Å; S273-Q296 PolarHBondContact OG-NE2 2.95Å; S273-T297 PolarHBondContact O-N 2.86Å
274	T	45.6	Very low	41.7	Very low	68 Å²	68	35.5 Å²	35.5	42%	0.417	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.9	171.1	-3.6	0	0	0	0	108.6	S250 T251 S252 T297	S250-T274 PolarHBondContact O-N 3.47Å; T251-T274 WeakPolarHBondContact CA-O 3.25Å; T251-T274 WeakPolarHBondContact CG2-OG1 3.44Å; S252-T274 PolarHBondContact N-O 3.1Å; T274-T297 HydrophobicContact CG2-CG2 4.33Å
275	V	50.6	Low	41.4	Very low	6 Å²	6	39.4 Å²	39.4	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.4	-176	-170.7	0	0	0	0	112.3	S252 L256 T277 T279 T297 S298 S299	S252-V275 VanDerWaalsContact O-CA 3.25Å; S252-V275 WeakPolarHBondContact O-CA 3.36Å; S252-V275 WeakPolarHBondContact OG-CG1 3.24Å; S252-V275 WeakPolarHBondContact OG-CG2 3.46Å; L256-V275 HydrophobicContact CB-CG2 3.92Å; V275-T277 WeakPolarHBondContact CG1-O 3.47Å; V275-T279 VanDerWaalsContact CB-OG1 3.28Å; V275-T279 WeakPolarHBondContact CB-OG1 3.46Å; V275-T279 HydrophobicContact CG2-CG2 4.02Å; V275-T279 WeakPolarHBondContact CG2-OG1 3.33Å; V275-T297 PolarHBondContact N-O 2.8Å; V275-S298 CarbonylContact O-C 3.51Å; V275-S298 VanDerWaalsContact O-CA 3.25Å; V275-S298 WeakPolarHBondContact O-CA 3.45Å; V275-S299 PolarHBondContact O-N 3.33Å
276	A	46.5	Very low	41.5	Very low	39 Å²	39	36.8 Å²	36.8	32%	0.322	22%	0.218	S	C	.	.	S	Bend	trans	-69	-41.3	175.7	0	0	0	0	0	112.1	S252 S253 S299 T300	S252-A276 PolarHBondContact O-N 2.86Å; S253-A276 WeakPolarHBondContact O-CB 3.37Å; A276-S299 WeakPolarHBondContact CA-OG 3.49Å; A276-S299 PolarHBondContact O-N 2.94Å; A276-S299 PolarHBondContact O-OG 3.38Å; A276-T300 PolarHBondContact O-N 2.89Å; A276-T300 PolarHBondContact O-OG1 3.29Å; A276-T300 VanDerWaalsContact O-OG1 3.1Å
277	T	42.2	Very low	41.3	Very low	50 Å²	50	43.4 Å²	43.4	31%	0.307	25%	0.253	S	S	.	.	S	Bend	trans	-140.2	139.7	176.9	46.2	0	0	0	0	112.4	S254 V275 T300	S254-T277 CarbonylContact C-O 3.57Å; S254-T277 WeakPolarHBondContact CA-OG1 3.31Å; S254-T277 PolarHBondContact O-OG1 3.48Å; V275-T277 WeakPolarHBondContact CG1-O 3.47Å; T277-T300 WeakPolarHBondContact CG2-OG1 3.37Å
278	N	40	Very low	41	Very low	76 Å²	76	42.9 Å²	42.9	41%	0.406	25%	0.251	S	S	.	.			trans	43.8	111	171.3	-62.6	-33.8	0	0	0	118.2	K255 G301 Q302	K255-N278 WeakPolarHBondContact CA-O 3.47Å; N278-G301 WeakPolarHBondContact OD1-CA 3.19Å; N278-Q302 CarbonylContact C-O 3.6Å; N278-Q302 WeakPolarHBondContact CA-O 3.29Å; N278-Q302 WeakPolarHBondContact OD1-CB 3.4Å; N278-Q302 PolarHBondContact OD1-N 2.88Å
279	T	41.8	Very low	40.6	Very low	5 Å²	5	39.1 Å²	39.1	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.2	174.8	-43.4	0	0	0	0	111.8	L256 V275 Q302 T303 Q304	L256-T279 HydrophobicContact CB-CG2 4.23Å; V275-T279 VanDerWaalsContact CB-OG1 3.28Å; V275-T279 WeakPolarHBondContact CB-OG1 3.46Å; V275-T279 HydrophobicContact CG2-CG2 4.02Å; V275-T279 WeakPolarHBondContact CG2-OG1 3.33Å; T279-Q302 PolarHBondContact N-O 2.98Å; T279-T303 WeakPolarHBondContact O-CA 3.36Å; T279-Q304 PolarHBondContact O-N 3.34Å
280	S	37.5	Very low	40.6	Very low	22 Å²	22	43.4 Å²	43.4	15%	0.154	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	110.9	169.9	62.7	0	0	0	0	110.5	L256 T257 Q304	L256-S280 PolarHBondContact O-N 3.31Å; L256-S280 VanDerWaalsContact O-N 3.13Å; T257-S280 VanDerWaalsContact CA-O 3.27Å; T257-S280 WeakPolarHBondContact CA-O 3.42Å; T257-S280 PolarHBondContact OG1-OG 2.74Å; S280-Q304 CarbonylContact C-O 3.42Å; S280-Q304 WeakPolarHBondContact CA-O 3.4Å
281	A	39.9	Very low	40.3	Very low	7 Å²	7	42.3 Å²	42.3	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.6	173.2	0	0	0	0	0	110.3	Q304 F306	A281-Q304 PolarHBondContact N-O 2.8Å; A281-F306 PolarHBondContact O-N 2.77Å
282	T	35.9	Very low	40.3	Very low	56 Å²	56	42.5 Å²	42.5	34%	0.344	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	109.4	170.5	-54.5	0	0	0	0	108.5	E258 S259 P284 F306	E258-T282 PolarHBondContact O-N 3.01Å; S259-T282 VanDerWaalsContact CA-O 3.3Å; S259-T282 WeakPolarHBondContact CA-O 3.22Å; T282-P284 VanDerWaalsContact O-CD 3.26Å; T282-P284 WeakPolarHBondContact O-CD 3.49Å; T282-F306 CarbonylContact C-O 3.55Å; T282-F306 WeakPolarHBondContact CA-O 3.41Å; T282-F306 HydrophobicContact CG2-CB 4.3Å
283	V	39.5	Very low	40.1	Very low	14 Å²	14	44.5 Å²	44.5	9%	0.085	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	111.7	175.9	-175.5	0	0	0	0	108.9	F292 F306 T307 T308 F315	V283-F292 HydrophobicContact CG1-CE1 4.1Å; V283-F292 HydrophobicContact CG1-CZ 4.12Å; V283-F292 HydrophobicContact CG2-CE1 3.73Å; V283-F292 HydrophobicContact CG2-CZ 3.98Å; V283-F306 PolarHBondContact N-O 2.88Å; V283-T307 HydrophobicContact CB-CG2 3.64Å; V283-T307 HydrophobicContact CG1-CG2 4.28Å; V283-T307 HydrophobicContact CG2-CG2 3.6Å; V283-T307 CarbonylContact O-C 3.51Å; V283-T307 WeakPolarHBondContact O-CA 3.13Å; V283-T308 PolarHBondContact O-N 3.05Å; V283-T308 PolarHBondContact O-OG1 2.9Å; V283-T308 VanDerWaalsContact O-OG1 3.05Å; V283-F315 HydrophobicContact CG2-CE1 4.41Å; V283-F315 HydrophobicContact CG2-CZ 4.32Å
284	P	34.2	Very low	40	Very low	28 Å²	28	44.5 Å²	44.5	18%	0.182	26%	0.26	C	S	.	.			trans	-72.4	159.9	176.1	-17.1	34.2	0	0	0	113.2	V260 R261 T282 V286	V260-P284 WeakPolarHBondContact O-CD 3.36Å; V260-P284 WeakPolarHBondContact O-CG 2.86Å; R261-P284 HydrophobicContact CB-CB 4.38Å; R261-P284 HydrophobicContact CB-CG 4.35Å; T282-P284 VanDerWaalsContact O-CD 3.26Å; T282-P284 WeakPolarHBondContact O-CD 3.49Å; P284-V286 PolarHBondContact O-N 3.18Å
285	Q	31.7	Very low	40.2	Very low	118 Å²	118	43.4 Å²	43.4	55%	0.551	26%	0.256	S	S	*	.			trans	-55.3	113.1	174.8	-164.1	-158.4	-23.8	0	0	111.7	N287 T308	Q285-N287 PolarHBondContact NE2-OD1 3.34Å; Q285-T308 PolarHBondContact N-OG1 3.08Å
286	V	36.4	Very low	40.2	Very low	10 Å²	10	43.3 Å²	43.3	6%	0.061	26%	0.255	C	S	.	.			trans	-102.5	128.7	167.7	-159.6	0	0	0	0	107.2	T262 P284 T288 T289 D309	T262-V286 VanDerWaalsContact OG1-CG1 3.31Å; T262-V286 WeakPolarHBondContact OG1-CG1 3.23Å; P284-V286 PolarHBondContact O-N 3.18Å; V286-T288 PolarHBondContact O-N 3.18Å; V286-T288 VanDerWaalsContact O-N 3.14Å; V286-T289 WeakPolarHBondContact CB-OG1 3.38Å; V286-T289 VanDerWaalsContact CG1-OG1 3.22Å; V286-T289 WeakPolarHBondContact CG1-OG1 3.44Å; V286-T289 WeakPolarHBondContact CG2-OG1 3.41Å; V286-D309 WeakPolarHBondContact CB-OD2 3.45Å; V286-D309 VanDerWaalsContact CG2-OD2 3.3Å; V286-D309 WeakPolarHBondContact CG2-OD2 3.39Å; V286-D309 PolarHBondContact N-OD2 2.77Å
287	N	36.7	Very low	40.3	Very low	139 Å²	139	44 Å²	44	74%	0.743	26%	0.255	S	S	*	.	S	Bend	trans	-68.6	-15.4	-177.9	-85.1	-17.9	0	0	0	113.1	Q285	Q285-N287 PolarHBondContact NE2-OD1 3.34Å
288	T	34.8	Very low	40.7	Very low	73 Å²	73	41.7 Å²	41.7	45%	0.448	24%	0.241	S	C	.	.			trans	-168.8	110.3	178.3	43.7	0	0	0	0	109.3	V265 V286	V265-T288 WeakPolarHBondContact CG1-O 3.41Å; V265-T288 WeakPolarHBondContact CG2-OG1 3.25Å; V286-T288 PolarHBondContact O-N 3.18Å; V286-T288 VanDerWaalsContact O-N 3.14Å
289	T	34.9	Very low	41.2	Very low	11 Å²	11	40.6 Å²	40.6	7%	0.067	24%	0.239	C	C	.	.			trans	-119	143.2	164.7	-39.2	0	0	0	0	109.1	V286 S291 D309 T311	V286-T289 WeakPolarHBondContact CB-OG1 3.38Å; V286-T289 VanDerWaalsContact CG1-OG1 3.22Å; V286-T289 WeakPolarHBondContact CG1-OG1 3.44Å; V286-T289 WeakPolarHBondContact CG2-OG1 3.41Å; T289-S291 WeakPolarHBondContact CG2-O 3.45Å; T289-D309 PolarHBondContact OG1-OD2 2.85Å; T289-T311 WeakPolarHBondContact O-CB 2.98Å; T289-T311 WeakPolarHBondContact O-CG2 3.08Å
290	T	39.7	Very low	41.1	Very low	95 Å²	95	44 Å²	44	58%	0.583	26%	0.26	S	S	*	.	S	Bend	trans	-89.2	-22.6	176.5	51	0	0	0	0	113.8	T267	T267-T290 WeakPolarHBondContact CG2-OG1 3.11Å
291	S	39.9	Very low	41.3	Very low	32 Å²	32	43.5 Å²	43.5	22%	0.224	26%	0.258	C	S	.	.			trans	-171.5	139.2	173.5	171.5	0	0	0	0	109.3	T289	T289-S291 WeakPolarHBondContact CG2-O 3.45Å
292	F	43.4	Very low	41.3	Very low	12 Å²	12	45.9 Å²	45.9	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.8	176.4	-178.1	-93.5	0	0	0	108.4	I269 T271 V283 T294 A313 T314 F315	I269-F292 HydrophobicContact CB-CD2 3.69Å; I269-F292 HydrophobicContact CB-CE2 3.98Å; I269-F292 HydrophobicContact CD1-CD2 4.25Å; I269-F292 HydrophobicContact CD1-CE2 4.47Å; I269-F292 HydrophobicContact CG2-CD2 3.82Å; I269-F292 HydrophobicContact CG2-CE2 3.54Å; T271-F292 HydrophobicContact CG2-CE2 4.27Å; T271-F292 HydrophobicContact CG2-CZ 4.11Å; V283-F292 HydrophobicContact CG1-CE1 4.1Å; V283-F292 HydrophobicContact CG1-CZ 4.12Å; V283-F292 HydrophobicContact CG2-CE1 3.73Å; V283-F292 HydrophobicContact CG2-CZ 3.98Å; F292-T294 WeakPolarHBondContact CE1-OG1 3.32Å; F292-T294 WeakPolarHBondContact CZ-OG1 3.35Å; F292-A313 HydrophobicContact CB-CB 4.01Å; F292-A313 HydrophobicContact CD1-CB 4.06Å; F292-A313 CarbonylContact O-C 3.58Å; F292-A313 VanDerWaalsContact O-CA 3.31Å; F292-A313 WeakPolarHBondContact O-CA 3.46Å; F292-A313 WeakPolarHBondContact O-CB 3.32Å; F292-T314 PolarHBondContact O-N 3.09Å; F292-F315 HydrophobicContact CD1-CE1 4.41Å; F292-F315 HydrophobicContact CD1-CZ 4.13Å; F292-F315 HydrophobicContact CE1-CE1 4.06Å; F292-F315 HydrophobicContact CE1-CZ 4.09Å
293	D	42.2	Very low	41.4	Very low	71 Å²	71	43.8 Å²	43.8	38%	0.38	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.9	178.5	-78.5	-17.9	0	0	0	109.5	I269 T270 T271 T314	I269-D293 PolarHBondContact O-N 2.68Å; T270-D293 CarbonylContact C-O 3.31Å; T270-D293 VanDerWaalsContact CA-O 3.27Å; T270-D293 WeakPolarHBondContact CA-O 3.23Å; T271-D293 PolarHBondContact N-O 3.06Å; D293-T314 WeakPolarHBondContact CA-O 3.33Å; D293-T314 WeakPolarHBondContact OD1-CB 3.1Å; D293-T314 PolarHBondContact OD1-OG1 3.26Å; D293-T314 VanDerWaalsContact OD1-OG1 3.13Å
294	T	46.6	Very low	41.3	Very low	3 Å²	3	45.9 Å²	45.9	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.8	170.4	-64.6	0	0	0	0	109.9	T271 F292 Q296 T314 F315 T316	T271-T294 CarbonylContact O-C 3.49Å; T271-T294 VanDerWaalsContact O-CA 3.29Å; T271-T294 WeakPolarHBondContact O-CA 3.14Å; T271-T294 WeakPolarHBondContact OG1-CB 3.24Å; T271-T294 WeakPolarHBondContact OG1-CG2 3.11Å; T271-T294 PolarHBondContact OG1-OG1 2.98Å; F292-T294 WeakPolarHBondContact CE1-OG1 3.32Å; F292-T294 WeakPolarHBondContact CZ-OG1 3.35Å; T294-Q296 HydrophobicContact CG2-CG 3.94Å; T294-T314 PolarHBondContact N-O 3.26Å; T294-T314 VanDerWaalsContact N-O 3.11Å; T294-F315 HydrophobicContact CG2-CD1 4.12Å; T294-F315 HydrophobicContact CG2-CE1 4.26Å; T294-F315 WeakPolarHBondContact O-CA 3.43Å; T294-F315 WeakPolarHBondContact OG1-CE1 3.48Å; T294-T316 PolarHBondContact O-N 3.25Å
295	S	49.6	Very low	41.5	Very low	45 Å²	45	44.8 Å²	44.8	32%	0.315	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.2	170.1	61	0	0	0	0	111	T271 S272 S273 T316	T271-S295 PolarHBondContact O-N 3.43Å; S272-S295 CarbonylContact C-O 3.53Å; S272-S295 VanDerWaalsContact CA-O 3.26Å; S272-S295 WeakPolarHBondContact CA-O 3.48Å; S272-S295 VanDerWaalsContact CB-OG 3.23Å; S272-S295 WeakPolarHBondContact CB-OG 3.38Å; S273-S295 PolarHBondContact N-O 3.05Å; S295-T316 CarbonylContact C-O 3.57Å; S295-T316 WeakPolarHBondContact CA-O 3.43Å
296	Q	50.7	Low	41.6	Very low	3 Å²	3	42.7 Å²	42.7	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.3	175.2	-59.9	-145.7	-22.4	0	0	111.6	S273 T294 T316 S317 T318	S273-Q296 WeakPolarHBondContact O-CA 3.22Å; S273-Q296 WeakPolarHBondContact OG-CG 3.33Å; S273-Q296 PolarHBondContact OG-NE2 2.95Å; T294-Q296 HydrophobicContact CG2-CG 3.94Å; Q296-T316 PolarHBondContact N-O 3.12Å; Q296-S317 CarbonylContact O-C 3.23Å; Q296-S317 WeakPolarHBondContact O-CA 3.25Å; Q296-T318 PolarHBondContact O-N 3.45Å
297	T	49.5	Very low	41.5	Very low	55 Å²	55	42.5 Å²	42.5	34%	0.337	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.7	171.9	-51.1	0	0	0	0	108.6	S273 T274 V275 T318	S273-T297 PolarHBondContact O-N 2.86Å; T274-T297 HydrophobicContact CG2-CG2 4.33Å; V275-T297 PolarHBondContact N-O 2.8Å; T297-T318 WeakPolarHBondContact CA-O 3.44Å; T297-T318 WeakPolarHBondContact CG2-O 3.09Å
298	S	50.8	Low	41.4	Very low	1 Å²	1	39.5 Å²	39.5	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.3	176	80.2	0	0	0	0	110.9	V275 G301 T318 P319 S320	V275-S298 CarbonylContact O-C 3.51Å; V275-S298 VanDerWaalsContact O-CA 3.25Å; V275-S298 WeakPolarHBondContact O-CA 3.45Å; S298-G301 PolarHBondContact OG-O 3.48Å; S298-T318 PolarHBondContact N-O 3.49Å; S298-P319 CarbonylContact O-C 3.49Å; S298-P319 WeakPolarHBondContact O-CA 3.43Å; S298-S320 PolarHBondContact O-N 2.06Å; S298-S320 PolarHBondContact O-OG 2.65Å
299	S	49.3	Very low	41.3	Very low	52 Å²	52	36.7 Å²	36.7	36%	0.364	21%	0.214	S	C	.	.	S	Bend	trans	-78.3	-37.8	-178.6	81.6	0	0	0	0	113.4	V275 A276 S320 T321	V275-S299 PolarHBondContact O-N 3.33Å; A276-S299 WeakPolarHBondContact CA-OG 3.49Å; A276-S299 PolarHBondContact O-N 2.94Å; A276-S299 PolarHBondContact O-OG 3.38Å; S299-S320 WeakPolarHBondContact O-CB 3.5Å; S299-T321 PolarHBondContact O-N 3.24Å; S299-T321 PolarHBondContact O-OG1 3.39Å
300	T	41	Very low	41.4	Very low	78 Å²	78	45 Å²	45	48%	0.479	24%	0.244	S	C	.	.	S	Bend	trans	-149	26.8	-175.1	49.5	0	0	0	0	114.6	A276 T277 T321	A276-T300 PolarHBondContact O-N 2.89Å; A276-T300 PolarHBondContact O-OG1 3.29Å; A276-T300 VanDerWaalsContact O-OG1 3.1Å; T277-T300 WeakPolarHBondContact CG2-OG1 3.37Å; T300-T321 WeakPolarHBondContact CG2-OG1 3.43Å
301	G	40.2	Very low	41.2	Very low	10 Å²	10	41.9 Å²	41.9	10%	0.103	22%	0.224	C	C	.	.	S	Bend	trans	-151.9	172.9	-175.6	0	0	0	0	0	119.3	N278 S298	N278-G301 WeakPolarHBondContact OD1-CA 3.19Å; S298-G301 PolarHBondContact OG-O 3.48Å
302	Q	39.8	Very low	41.1	Very low	58 Å²	58	43.7 Å²	43.7	27%	0.271	24%	0.235	S	C	.	.			trans	-62	138.8	-175.4	-174.1	-169.6	73	0	0	112	N278 T279 Q304 T325	N278-Q302 CarbonylContact C-O 3.6Å; N278-Q302 WeakPolarHBondContact CA-O 3.29Å; N278-Q302 WeakPolarHBondContact OD1-CB 3.4Å; N278-Q302 PolarHBondContact OD1-N 2.88Å; T279-Q302 PolarHBondContact N-O 2.98Å; Q302-Q304 HydrophobicContact CG-CG 4.08Å; Q302-T325 PolarHBondContact NE2-OG1 3.39Å
303	T	39	Very low	41.1	Very low	11 Å²	11	43.4 Å²	43.4	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.8	171	-57.5	0	0	0	0	109.1	T279 I305	T279-T303 WeakPolarHBondContact O-CA 3.36Å; T303-I305 HydrophobicContact CG2-CD1 4.27Å; T303-I305 HydrophobicContact CG2-CG1 4.19Å
304	Q	37.6	Very low	41.1	Very low	59 Å²	59	42.3 Å²	42.3	28%	0.276	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.1	172.5	-68.4	-172.9	90.6	0	0	109.4	T279 S280 A281 Q302 F306	T279-Q304 PolarHBondContact O-N 3.34Å; S280-Q304 CarbonylContact C-O 3.42Å; S280-Q304 WeakPolarHBondContact CA-O 3.4Å; A281-Q304 PolarHBondContact N-O 2.8Å; Q302-Q304 HydrophobicContact CG-CG 4.08Å; Q304-F306 HydrophobicContact CB-CE2 4.08Å
305	I	36.9	Very low	41	Very low	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.3	175.2	-60.4	158.5	0	0	0	106.4	T303 T307 F315 T327 T328	T303-I305 HydrophobicContact CG2-CD1 4.27Å; T303-I305 HydrophobicContact CG2-CG1 4.19Å; I305-T307 HydrophobicContact CG2-CG2 4.06Å; I305-F315 HydrophobicContact CD1-CB 4.28Å; I305-F315 HydrophobicContact CD1-CD1 3.68Å; I305-F315 HydrophobicContact CD1-CE1 4.42Å; I305-F315 HydrophobicContact CD1-CG 4.16Å; I305-F315 HydrophobicContact CG1-CD1 4.44Å; I305-F315 HydrophobicContact CG2-CD1 3.91Å; I305-F315 HydrophobicContact CG2-CE1 3.53Å; I305-F315 HydrophobicContact CG2-CZ 3.97Å; I305-T327 HydrophobicContact CB-CG2 3.98Å; I305-T327 HydrophobicContact CD1-CG2 4.26Å; I305-T327 HydrophobicContact CG1-CG2 4.44Å; I305-T328 CarbonylContact O-C 3.31Å
306	F	34.3	Very low	40.8	Very low	75 Å²	75	43 Å²	43	33%	0.329	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.1	168.7	-63.9	-83.5	0	0	0	107.8	A281 T282 V283 Q304 T328	A281-F306 PolarHBondContact O-N 2.77Å; T282-F306 CarbonylContact C-O 3.55Å; T282-F306 WeakPolarHBondContact CA-O 3.41Å; T282-F306 HydrophobicContact CG2-CB 4.3Å; V283-F306 PolarHBondContact N-O 2.88Å; Q304-F306 HydrophobicContact CB-CE2 4.08Å; F306-T328 HydrophobicContact CE1-CG2 4.42Å
307	T	35.6	Very low	40.6	Very low	6 Å²	6	43.4 Å²	43.4	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.9	169.3	67	0	0	0	0	110.3	V283 I305 F315 T330 Q333	V283-T307 HydrophobicContact CB-CG2 3.64Å; V283-T307 HydrophobicContact CG1-CG2 4.28Å; V283-T307 HydrophobicContact CG2-CG2 3.6Å; V283-T307 CarbonylContact O-C 3.51Å; V283-T307 WeakPolarHBondContact O-CA 3.13Å; I305-T307 HydrophobicContact CG2-CG2 4.06Å; T307-F315 HydrophobicContact CG2-CE2 4.15Å; T307-F315 HydrophobicContact CG2-CZ 3.64Å; T307-T330 VanDerWaalsContact O-CB 3.27Å; T307-T330 WeakPolarHBondContact O-CB 3.24Å; T307-T330 VanDerWaalsContact O-O 3.1Å; T307-T330 PolarHBondContact OG1-O 3.24Å; T307-Q333 PolarHBondContact OG1-NE2 3.14Å
308	T	34.2	Very low	40.6	Very low	76 Å²	76	43.2 Å²	43.2	47%	0.466	24%	0.236	S	C	.	.			trans	-125.3	9.7	175.5	48.6	0	0	0	0	112.6	V283 Q285	V283-T308 PolarHBondContact O-N 3.05Å; V283-T308 PolarHBondContact O-OG1 2.9Å; V283-T308 VanDerWaalsContact O-OG1 3.05Å; Q285-T308 PolarHBondContact N-OG1 3.08Å
309	D	31.1	Very low	40.4	Very low	14 Å²	14	43.9 Å²	43.9	8%	0.075	24%	0.24	C	C	.	.			trans	-99.6	150.4	-176.6	-166.2	4.5	0	0	0	112.3	V286 T289 T311	V286-D309 WeakPolarHBondContact CB-OD2 3.45Å; V286-D309 VanDerWaalsContact CG2-OD2 3.3Å; V286-D309 WeakPolarHBondContact CG2-OD2 3.39Å; V286-D309 PolarHBondContact N-OD2 2.77Å; T289-D309 PolarHBondContact OG1-OD2 2.85Å; D309-T311 PolarHBondContact OD2-OG1 2.74Å
310	R	37.3	Very low	40.3	Very low	185 Å²	185	43.9 Å²	43.9	70%	0.698	24%	0.24	S	C	*	.	S	Bend	trans	-86.4	1	178.7	-69	-173	177.5	124.4	1.7	114.4	N332	R310-N332 WeakPolarHBondContact O-CB 3.12Å
311	T	37.2	Very low	40.2	Very low	29 Å²	29	43 Å²	43	18%	0.178	24%	0.235	C	C	.	.	S	Bend	trans	-99.3	142.3	-176.9	55.4	0	0	0	0	114	T289 D309 A313	T289-T311 WeakPolarHBondContact O-CB 2.98Å; T289-T311 WeakPolarHBondContact O-CG2 3.08Å; D309-T311 PolarHBondContact OD2-OG1 2.74Å; T311-A313 PolarHBondContact O-N 2.85Å
312	P	37.6	Very low	39.9	Very low	70 Å²	70	45.8 Å²	45.8	46%	0.455	25%	0.253	S	S	.	.			trans	-51.4	130.6	176	-29.3	37.1	0	0	0	113.2	T334	P312-T334 HydrophobicContact CB-CG2 3.8Å; P312-T334 WeakPolarHBondContact CB-OG1 3.1Å; P312-T334 HydrophobicContact CG-CG2 3.96Å
313	A	42.1	Very low	39.7	Very low	7 Å²	7	47.5 Å²	47.5	6%	0.058	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.8	177.2	0	0	0	0	0	109.7	F292 T311 F315	F292-A313 HydrophobicContact CB-CB 4.01Å; F292-A313 HydrophobicContact CD1-CB 4.06Å; F292-A313 CarbonylContact O-C 3.58Å; F292-A313 VanDerWaalsContact O-CA 3.31Å; F292-A313 WeakPolarHBondContact O-CA 3.46Å; F292-A313 WeakPolarHBondContact O-CB 3.32Å; T311-A313 PolarHBondContact O-N 2.85Å; A313-F315 HydrophobicContact CB-CD2 4.34Å; A313-F315 HydrophobicContact CB-CE2 3.51Å; A313-F315 HydrophobicContact CB-CZ 3.97Å
314	T	42.3	Very low	39.5	Very low	48 Å²	48	48 Å²	48	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129	173.2	-36.1	0	0	0	0	109	F292 D293 T294	F292-T314 PolarHBondContact O-N 3.09Å; D293-T314 WeakPolarHBondContact CA-O 3.33Å; D293-T314 WeakPolarHBondContact OD1-CB 3.1Å; D293-T314 PolarHBondContact OD1-OG1 3.26Å; D293-T314 VanDerWaalsContact OD1-OG1 3.13Å; T294-T314 PolarHBondContact N-O 3.26Å; T294-T314 VanDerWaalsContact N-O 3.11Å
315	F	44.6	Very low	39.2	Very low	1 Å²	1	48.4 Å²	48.4	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129	176.5	-69.3	-84.1	0	0	0	109.8	V283 F292 T294 I305 T307 A313 L329 S335 L336 T337	V283-F315 HydrophobicContact CG2-CE1 4.41Å; V283-F315 HydrophobicContact CG2-CZ 4.32Å; F292-F315 HydrophobicContact CD1-CE1 4.41Å; F292-F315 HydrophobicContact CD1-CZ 4.13Å; F292-F315 HydrophobicContact CE1-CE1 4.06Å; F292-F315 HydrophobicContact CE1-CZ 4.09Å; T294-F315 HydrophobicContact CG2-CD1 4.12Å; T294-F315 HydrophobicContact CG2-CE1 4.26Å; T294-F315 WeakPolarHBondContact O-CA 3.43Å; T294-F315 WeakPolarHBondContact OG1-CE1 3.48Å; I305-F315 HydrophobicContact CD1-CB 4.28Å; I305-F315 HydrophobicContact CD1-CD1 3.68Å; I305-F315 HydrophobicContact CD1-CE1 4.42Å; I305-F315 HydrophobicContact CD1-CG 4.16Å; I305-F315 HydrophobicContact CG1-CD1 4.44Å; I305-F315 HydrophobicContact CG2-CD1 3.91Å; I305-F315 HydrophobicContact CG2-CE1 3.53Å; I305-F315 HydrophobicContact CG2-CZ 3.97Å; T307-F315 HydrophobicContact CG2-CE2 4.15Å; T307-F315 HydrophobicContact CG2-CZ 3.64Å; A313-F315 HydrophobicContact CB-CD2 4.34Å; A313-F315 HydrophobicContact CB-CE2 3.51Å; A313-F315 HydrophobicContact CB-CZ 3.97Å; F315-L329 HydrophobicContact CD2-CD2 4.3Å; F315-S335 PolarHBondContact N-O 3.49Å; F315-L336 HydrophobicContact CB-CD1 3.48Å; F315-L336 VanDerWaalsContact CB-CD1 3.48Å; F315-T337 PolarHBondContact O-N 3.45Å; F315-T337 VanDerWaalsContact O-O 3.08Å
316	T	46.2	Very low	39	Very low	60 Å²	60	51.1 Å²	51.1	37%	0.368	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.7	172.1	-57.8	0	0	0	0	109.4	T294 S295 Q296 T337	T294-T316 PolarHBondContact O-N 3.25Å; S295-T316 CarbonylContact C-O 3.57Å; S295-T316 WeakPolarHBondContact CA-O 3.43Å; Q296-T316 PolarHBondContact N-O 3.12Å; T316-T337 CarbonylContact C-O 3.57Å; T316-T337 VanDerWaalsContact CA-O 3.26Å; T316-T337 WeakPolarHBondContact CA-O 3.14Å
317	S	45.6	Very low	39.3	Very low	13 Å²	13	48.2 Å²	48.2	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.1	175.9	60.9	0	0	0	0	110.9	Q296 P319 T337 S338 T339	Q296-S317 CarbonylContact O-C 3.23Å; Q296-S317 WeakPolarHBondContact O-CA 3.25Å; S317-P319 VanDerWaalsContact C-CD 3.5Å; S317-T337 PolarHBondContact N-O 2.87Å; S317-S338 CarbonylContact O-C 3.15Å; S317-S338 WeakPolarHBondContact O-CA 3.39Å; S317-S338 WeakPolarHBondContact OG-CB 3.03Å; S317-T339 PolarHBondContact O-N 2.64Å; S317-T339 PolarHBondContact O-OG1 3.03Å
318	T	49.8	Very low	39.2	Very low	51 Å²	51	49.6 Å²	49.6	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	77.3	176.8	-47.1	0	0	0	0	111.1	Q296 T297 S298 T339	Q296-T318 PolarHBondContact O-N 3.45Å; T297-T318 WeakPolarHBondContact CA-O 3.44Å; T297-T318 WeakPolarHBondContact CG2-O 3.09Å; S298-T318 PolarHBondContact N-O 3.49Å; T318-T339 VanDerWaalsContact CA-O 3.25Å; T318-T339 WeakPolarHBondContact CA-O 3.05Å; T318-T339 WeakPolarHBondContact CG2-OG1 3.45Å; T318-T339 PolarHBondContact OG1-OG1 3.03Å; T318-T339 VanDerWaalsContact OG1-OG1 3.12Å
319	P	47.5	Very low	39.3	Very low	15 Å²	15	46.2 Å²	46.2	10%	0.097	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.3	173.4	25.7	-32	0	0	0	112.5	S298 S317 T339 S340 L344	S298-P319 CarbonylContact O-C 3.49Å; S298-P319 WeakPolarHBondContact O-CA 3.43Å; S317-P319 VanDerWaalsContact C-CD 3.5Å; P319-T339 VanDerWaalsContact CD-O 3.24Å; P319-T339 WeakPolarHBondContact CD-O 3.32Å; P319-S340 WeakPolarHBondContact O-CA 3.41Å; P319-L344 HydrophobicContact CG-CD1 4.02Å
320	S	45.8	Very low	39.5	Very low	52 Å²	52	47.1 Å²	47.1	36%	0.364	28%	0.277	S	S	.	.			trans	-82.7	-24.8	-176.5	-52.4	0	0	0	0	114.4	S298 S299 S341	S298-S320 PolarHBondContact O-N 2.06Å; S298-S320 PolarHBondContact O-OG 2.65Å; S299-S320 WeakPolarHBondContact O-CB 3.5Å; S320-S341 PolarHBondContact O-OG 2.69Å
321	T	38.5	Very low	39.4	Very low	59 Å²	59	40 Å²	40	36%	0.362	25%	0.253	S	S	.	.	S	Bend	trans	-157	140.7	174.6	52.9	0	0	0	0	114.9	S299 T300	S299-T321 PolarHBondContact O-N 3.24Å; S299-T321 PolarHBondContact O-OG1 3.39Å; T300-T321 WeakPolarHBondContact CG2-OG1 3.43Å
322	S	34.4	Very low	39.5	Very low	69 Å²	69	41 Å²	41	48%	0.483	26%	0.257	S	S	.	.	S	Bend	trans	33.4	119.8	164.3	67.3	0	0	0	0	121.4	S342	S322-S342 PolarHBondContact N-OG 3.37Å
323	T	35.2	Very low	39.9	Very low	93 Å²	93	37.9 Å²	37.9	57%	0.571	24%	0.237	S	C	*	.			trans	74.2	77.5	160.7	62.8	0	0	0	0	116.9
324	S	35.3	Very low	39.9	Very low	22 Å²	22	39.4 Å²	39.4	15%	0.154	25%	0.245	C	C	.	.			trans	-74.5	140.1	159.2	55.2	0	0	0	0	110.3	T345	S324-T345 WeakPolarHBondContact O-CB 3.48Å; S324-T345 PolarHBondContact OG-N 3.49Å; S324-T345 PolarHBondContact OG-O 3.45Å
325	T	32.7	Very low	40	Very low	68 Å²	68	38.3 Å²	38.3	42%	0.417	24%	0.24	S	C	.	.			trans	-113.4	157.9	170.2	1.4	0	0	0	0	107.6	Q302	Q302-T325 PolarHBondContact NE2-OG1 3.39Å
326	P	32.4	Very low	40	Very low	60 Å²	60	38.4 Å²	38.4	39%	0.39	24%	0.241	S	C	.	.			trans	-40.8	127.4	-158	-34.6	35.2	0	0	0	116.7
327	T	39.7	Very low	40.1	Very low	15 Å²	15	37.5 Å²	37.5	9%	0.092	24%	0.235	C	C	.	.			trans	-73.3	138.4	158.6	-47.6	0	0	0	0	108.1	I305 L329 L336 S347	I305-T327 HydrophobicContact CB-CG2 3.98Å; I305-T327 HydrophobicContact CD1-CG2 4.26Å; I305-T327 HydrophobicContact CG1-CG2 4.44Å; T327-L329 HydrophobicContact CG2-CD1 4.08Å; T327-L329 HydrophobicContact CG2-CG 4.26Å; T327-L336 HydrophobicContact CG2-CD2 4.43Å; T327-S347 CarbonylContact C-O 3.57Å; T327-S347 WeakPolarHBondContact CB-O 3.17Å; T327-S347 PolarHBondContact N-O 2.98Å; T327-S347 CarbonylContact O-C 3.51Å; T327-S347 VanDerWaalsContact O-C 3.31Å
328	T	33.2	Very low	40.2	Very low	34 Å²	34	37 Å²	37	21%	0.209	23%	0.231	C	C	.	.			trans	-118.7	89.4	-179.8	-59.5	0	0	0	0	108.5	I305 F306 T330 R349	I305-T328 CarbonylContact O-C 3.31Å; F306-T328 HydrophobicContact CE1-CG2 4.42Å; T328-T330 PolarHBondContact O-N 2.96Å; T328-R349 HydrophobicContact CG2-CB 4.19Å
329	L	37.6	Very low	40.2	Very low	5 Å²	5	36.4 Å²	36.4	3%	0.026	23%	0.228	C	C	.	.			trans	-81.3	93.1	179	-63	113.1	0	0	0	111.1	F315 T327 Q333 L336 V348 R349 T350	F315-L329 HydrophobicContact CD2-CD2 4.3Å; T327-L329 HydrophobicContact CG2-CD1 4.08Å; T327-L329 HydrophobicContact CG2-CG 4.26Å; L329-Q333 VanDerWaalsContact CB-NE2 3.34Å; L329-Q333 HydrophobicContact CD2-CB 4.45Å; L329-Q333 HydrophobicContact CD2-CG 4.42Å; L329-L336 HydrophobicContact CD1-CD2 3.92Å; L329-V348 HydrophobicContact CB-CG1 4.23Å; L329-V348 HydrophobicContact CD1-CB 3.78Å; L329-V348 HydrophobicContact CD1-CG1 3.5Å; L329-V348 HydrophobicContact CD1-CG2 3.49Å; L329-V348 VanDerWaalsContact CD1-CG2 3.49Å; L329-V348 HydrophobicContact CG-CG1 4.47Å; L329-R349 CarbonylContact C-O 3.57Å; L329-R349 CarbonylContact O-C 3.53Å; L329-R349 VanDerWaalsContact O-C 3.27Å; L329-T350 VanDerWaalsContact O-CA 3.23Å; L329-T350 WeakPolarHBondContact O-CA 3.3Å; L329-T350 VanDerWaalsContact O-CG2 3.32Å; L329-T350 WeakPolarHBondContact O-CG2 2.95Å
330	T	34.8	Very low	40.2	Very low	33 Å²	33	36.3 Å²	36.3	20%	0.202	23%	0.228	C	C	.	.			trans	-82.3	122.4	175.9	-44.2	0	0	0	0	110.5	T307 T328 T351	T307-T330 VanDerWaalsContact O-CB 3.27Å; T307-T330 WeakPolarHBondContact O-CB 3.24Å; T307-T330 VanDerWaalsContact O-O 3.1Å; T307-T330 PolarHBondContact OG1-O 3.24Å; T328-T330 PolarHBondContact O-N 2.96Å; T330-T351 HydrophobicContact CG2-CG2 4.45Å; T330-T351 WeakPolarHBondContact CG2-OG1 3.37Å
331	D	35.8	Very low	40.2	Very low	36 Å²	36	36.7 Å²	36.7	19%	0.193	23%	0.23	C	C	.	.	S	Bend	trans	71	127.4	167.1	-60.6	-21.3	0	0	0	119.6	Q333 T351 S352	D331-Q333 WeakPolarHBondContact O-CG 3.26Å; D331-Q333 PolarHBondContact O-N 3.23Å; D331-T351 PolarHBondContact OD1-OG1 3.44Å; D331-S352 WeakPolarHBondContact CA-OG 3.46Å; D331-S352 WeakPolarHBondContact CB-OG 3.26Å; D331-S352 VanDerWaalsContact OD1-CB 3.26Å; D331-S352 WeakPolarHBondContact OD1-CB 3.34Å; D331-S352 PolarHBondContact OD1-N 3.45Å; D331-S352 PolarHBondContact OD1-OG 3.4Å
332	N	38.1	Very low	40.5	Very low	49 Å²	49	35.6 Å²	35.6	26%	0.262	23%	0.225	S	C	.	.	S	Bend	trans	39.3	48.2	169.2	-65.2	-4.7	0	0	0	119.6	R310 S352 V353	R310-N332 WeakPolarHBondContact O-CB 3.12Å; N332-S352 PolarHBondContact OD1-OG 2.62Å; N332-V353 PolarHBondContact OD1-O 3.43Å
333	Q	45.4	Very low	40.9	Very low	5 Å²	5	37.2 Å²	37.2	2%	0.023	22%	0.223	C	C	.	.			trans	-98.8	154	177.3	-58.4	-158.6	37.9	0	0	114.3	T307 L329 D331 I357	T307-Q333 PolarHBondContact OG1-NE2 3.14Å; L329-Q333 VanDerWaalsContact CB-NE2 3.34Å; L329-Q333 HydrophobicContact CD2-CB 4.45Å; L329-Q333 HydrophobicContact CD2-CG 4.42Å; D331-Q333 WeakPolarHBondContact O-CG 3.26Å; D331-Q333 PolarHBondContact O-N 3.23Å; Q333-I357 WeakPolarHBondContact O-CG1 3.21Å
334	T	43.2	Very low	41.3	Very low	39 Å²	39	33 Å²	33	24%	0.239	20%	0.197	C	C	.	.			trans	-114.3	-25.8	-174.3	50.5	0	0	0	0	115.3	P312 N356 I357 T358	P312-T334 HydrophobicContact CB-CG2 3.8Å; P312-T334 WeakPolarHBondContact CB-OG1 3.1Å; P312-T334 HydrophobicContact CG-CG2 3.96Å; T334-N356 CarbonylContact C-O 3.52Å; T334-N356 WeakPolarHBondContact CA-O 3.25Å; T334-I357 WeakPolarHBondContact O-CA 3.15Å; T334-T358 PolarHBondContact O-N 3.23Å
335	S	43.6	Very low	41.6	Very low	26 Å²	26	33.6 Å²	33.6	18%	0.182	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	134.9	-177.4	-169.6	0	0	0	0	115	F315 T358	F315-S335 PolarHBondContact N-O 3.49Å; S335-T358 CarbonylContact C-O 3.55Å; S335-T358 VanDerWaalsContact CA-O 3.29Å; S335-T358 WeakPolarHBondContact CA-O 3.38Å; S335-T358 PolarHBondContact OG-O 3.42Å
336	L	45	Very low	42	Very low	3 Å²	3	30.9 Å²	30.9	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.7	170.2	174.7	59.6	0	0	0	108.9	F315 T327 L329 E346 V348 T358 T359 S360	F315-L336 HydrophobicContact CB-CD1 3.48Å; F315-L336 VanDerWaalsContact CB-CD1 3.48Å; T327-L336 HydrophobicContact CG2-CD2 4.43Å; L329-L336 HydrophobicContact CD1-CD2 3.92Å; L336-E346 HydrophobicContact CD2-CG 3.97Å; L336-E346 WeakPolarHBondContact CD2-OE1 3.36Å; L336-E346 WeakPolarHBondContact CG-OE1 3.49Å; L336-V348 HydrophobicContact CD2-CG2 4.41Å; L336-T358 PolarHBondContact N-O 3.01Å; L336-T359 HydrophobicContact CB-CG2 4.37Å; L336-T359 CarbonylContact O-C 3.41Å; L336-T359 VanDerWaalsContact O-CA 3.25Å; L336-T359 WeakPolarHBondContact O-CA 3.31Å; L336-S360 PolarHBondContact O-N 3.15Å
337	T	47.8	Very low	42.3	Very low	40 Å²	40	28.6 Å²	28.6	25%	0.245	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.4	174.4	-56.6	0	0	0	0	109.5	F315 T316 S317 S360	F315-T337 PolarHBondContact O-N 3.45Å; F315-T337 VanDerWaalsContact O-O 3.08Å; T316-T337 CarbonylContact C-O 3.57Å; T316-T337 VanDerWaalsContact CA-O 3.26Å; T316-T337 WeakPolarHBondContact CA-O 3.14Å; S317-T337 PolarHBondContact N-O 2.87Å; T337-S360 CarbonylContact C-O 3.56Å; T337-S360 WeakPolarHBondContact CA-O 3.25Å
338	S	47.9	Very low	42.3	Very low	2 Å²	2	28.3 Å²	28.3	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.2	-175.7	56.9	0	0	0	0	110.6	S317 L344 E346 S360 S361 T362	S317-S338 CarbonylContact O-C 3.15Å; S317-S338 WeakPolarHBondContact O-CA 3.39Å; S317-S338 WeakPolarHBondContact OG-CB 3.03Å; S338-L344 WeakPolarHBondContact OG-CD2 3.47Å; S338-E346 PolarHBondContact OG-OE2 3.48Å; S338-S360 PolarHBondContact N-O 3.33Å; S338-S360 PolarHBondContact OG-O 2.95Å; S338-S361 WeakPolarHBondContact O-CA 3.29Å; S338-S361 WeakPolarHBondContact OG-CB 3.37Å; S338-T362 PolarHBondContact O-N 2.65Å
339	T	49.4	Very low	42.6	Very low	40 Å²	40	34.1 Å²	34.1	25%	0.245	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.5	-178.9	57.6	0	0	0	0	109	S317 T318 P319 T362	S317-T339 PolarHBondContact O-N 2.64Å; S317-T339 PolarHBondContact O-OG1 3.03Å; T318-T339 VanDerWaalsContact CA-O 3.25Å; T318-T339 WeakPolarHBondContact CA-O 3.05Å; T318-T339 WeakPolarHBondContact CG2-OG1 3.45Å; T318-T339 PolarHBondContact OG1-OG1 3.03Å; T318-T339 VanDerWaalsContact OG1-OG1 3.12Å; P319-T339 VanDerWaalsContact CD-O 3.24Å; P319-T339 WeakPolarHBondContact CD-O 3.32Å; T339-T362 WeakPolarHBondContact CA-O 2.87Å; T339-T362 VanDerWaalsContact CG2-OG1 3.22Å; T339-T362 WeakPolarHBondContact CG2-OG1 3.49Å
340	S	49.1	Very low	42.6	Very low	13 Å²	13	34.4 Å²	34.4	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.9	-177.4	80.3	0	0	0	0	113.6	P319 T362 V363 A364	P319-S340 WeakPolarHBondContact O-CA 3.41Å; S340-T362 PolarHBondContact N-O 3.09Å; S340-V363 VanDerWaalsContact O-CA 3.28Å; S340-V363 WeakPolarHBondContact O-CA 3.42Å; S340-V363 WeakPolarHBondContact OG-CG1 3.41Å; S340-V363 WeakPolarHBondContact OG-CG2 3.32Å; S340-A364 PolarHBondContact O-N 3.11Å
341	S	45.9	Very low	42.7	Very low	59 Å²	59	37.7 Å²	37.7	41%	0.413	21%	0.206	S	C	.	.	S	Bend	trans	-85.2	-16.1	-175.9	72.2	0	0	0	0	114.8	S320 A364	S320-S341 PolarHBondContact O-OG 2.69Å; S341-A364 WeakPolarHBondContact O-CB 3.45Å
342	S	44.3	Very low	42.8	Very low	36 Å²	36	37.6 Å²	37.6	25%	0.252	21%	0.208	S	C	.	.	S	Bend	trans	-149.5	-39	-161.6	48.6	0	0	0	0	117.3	S322 T365	S322-S342 PolarHBondContact N-OG 3.37Å; S342-T365 CarbonylContact C-O 3.5Å; S342-T365 VanDerWaalsContact C-O 3.29Å; S342-T365 PolarHBondContact O-OG1 3.29Å
343	K	43.1	Very low	42.6	Very low	104 Å²	104	38.6 Å²	38.6	45%	0.452	22%	0.216	S	C	.	.			trans	-171	123.8	174.7	-175.8	175	179.9	-179.9	0	110.1
344	L	42.2	Very low	42.3	Very low	5 Å²	5	38.3 Å²	38.3	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.5	173.8	-170.3	80	0	0	0	110.6	P319 S338 E346 V363 T367 S368	P319-L344 HydrophobicContact CG-CD1 4.02Å; S338-L344 WeakPolarHBondContact OG-CD2 3.47Å; L344-E346 HydrophobicContact CD2-CB 4.34Å; L344-V363 HydrophobicContact CB-CG2 3.86Å; L344-T367 HydrophobicContact CB-CG2 4.29Å; L344-S368 PolarHBondContact O-N 2.88Å
345	T	42.4	Very low	42.2	Very low	33 Å²	33	40.4 Å²	40.4	20%	0.202	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.8	161.8	-55.4	0	0	0	0	109	S324 S368	S324-T345 WeakPolarHBondContact O-CB 3.48Å; S324-T345 PolarHBondContact OG-N 3.49Å; S324-T345 PolarHBondContact OG-O 3.45Å; T345-S368 VanDerWaalsContact CA-O 3.3Å; T345-S368 WeakPolarHBondContact CA-O 3.27Å; T345-S368 PolarHBondContact OG1-OG 3.43Å
346	E	40.2	Very low	42.1	Very low	12 Å²	12	43.6 Å²	43.6	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.8	178.3	-160.3	172.6	141.4	0	0	109.6	L336 S338 L344 T359 T370	L336-E346 HydrophobicContact CD2-CG 3.97Å; L336-E346 WeakPolarHBondContact CD2-OE1 3.36Å; L336-E346 WeakPolarHBondContact CG-OE1 3.49Å; S338-E346 PolarHBondContact OG-OE2 3.48Å; L344-E346 HydrophobicContact CD2-CB 4.34Å; E346-T359 WeakPolarHBondContact OE1-CB 3.48Å; E346-T359 VanDerWaalsContact OE1-CG2 3.27Å; E346-T359 WeakPolarHBondContact OE1-CG2 3.33Å; E346-T370 PolarHBondContact O-N 2.97Å; E346-T370 VanDerWaalsContact O-N 3.07Å
347	S	39.1	Very low	41.8	Very low	12 Å²	12	43.9 Å²	43.9	8%	0.084	24%	0.244	C	C	.	.			trans	-142	147.1	171.7	-53.5	0	0	0	0	107.8	T327 T370	T327-S347 CarbonylContact C-O 3.57Å; T327-S347 WeakPolarHBondContact CB-O 3.17Å; T327-S347 PolarHBondContact N-O 2.98Å; T327-S347 CarbonylContact O-C 3.51Å; T327-S347 VanDerWaalsContact O-C 3.31Å; S347-T370 WeakPolarHBondContact CA-O 3.42Å; S347-T370 PolarHBondContact OG-O 3.29Å
348	V	40	Very low	41.7	Very low	8 Å²	8	44.7 Å²	44.7	5%	0.048	25%	0.249	C	C	.	.			trans	-136.2	112	-175.8	173.8	0	0	0	0	108.8	L329 L336 T350 I357 T359 P372	L329-V348 HydrophobicContact CB-CG1 4.23Å; L329-V348 HydrophobicContact CD1-CB 3.78Å; L329-V348 HydrophobicContact CD1-CG1 3.5Å; L329-V348 HydrophobicContact CD1-CG2 3.49Å; L329-V348 VanDerWaalsContact CD1-CG2 3.49Å; L329-V348 HydrophobicContact CG-CG1 4.47Å; L336-V348 HydrophobicContact CD2-CG2 4.41Å; V348-T350 HydrophobicContact CG1-CG2 4.09Å; V348-I357 HydrophobicContact CG1-CD1 4.37Å; V348-T359 HydrophobicContact CG2-CG2 4.15Å; V348-P372 WeakPolarHBondContact O-CD 3.49Å; V348-P372 VanDerWaalsContact O-CG 3.31Å; V348-P372 WeakPolarHBondContact O-CG 3.33Å
349	R	40	Very low	41.5	Very low	157 Å²	157	45 Å²	45	59%	0.592	25%	0.25	S	S	*	.			trans	-118.6	111	178	178.3	-174.9	-175.2	169.5	3.1	110.6	T328 L329 P372	T328-R349 HydrophobicContact CG2-CB 4.19Å; L329-R349 CarbonylContact C-O 3.57Å; L329-R349 CarbonylContact O-C 3.53Å; L329-R349 VanDerWaalsContact O-C 3.27Å; R349-P372 HydrophobicContact CB-CG 4.36Å
350	T	37.4	Very low	41.3	Very low	11 Å²	11	44.5 Å²	44.5	7%	0.067	25%	0.249	C	C	.	.			trans	-105.6	148.9	176.1	79.9	0	0	0	0	111.3	L329 V348 S352 P354 I357 V374	L329-T350 VanDerWaalsContact O-CA 3.23Å; L329-T350 WeakPolarHBondContact O-CA 3.3Å; L329-T350 VanDerWaalsContact O-CG2 3.32Å; L329-T350 WeakPolarHBondContact O-CG2 2.95Å; V348-T350 HydrophobicContact CG1-CG2 4.09Å; T350-S352 PolarHBondContact OG1-O 3.39Å; T350-P354 HydrophobicContact CG2-CG 3.56Å; T350-P354 WeakPolarHBondContact OG1-CG 3.15Å; T350-I357 HydrophobicContact CG2-CD1 4.14Å; T350-V374 VanDerWaalsContact OG1-CG1 3.3Å; T350-V374 WeakPolarHBondContact OG1-CG1 3.27Å
351	T	37.5	Very low	41.2	Very low	101 Å²	101	43.9 Å²	43.9	62%	0.62	24%	0.244	S	C	*	.	S	Bend	trans	-106.2	-9.3	174.2	45.4	0	0	0	0	114.1	T330 D331	T330-T351 HydrophobicContact CG2-CG2 4.45Å; T330-T351 WeakPolarHBondContact CG2-OG1 3.37Å; D331-T351 PolarHBondContact OD1-OG1 3.44Å
352	S	36.5	Very low	41.2	Very low	34 Å²	34	44 Å²	44	24%	0.238	24%	0.243	C	C	.	.	S	Bend	trans	-134.4	160.7	174.5	57.5	0	0	0	0	110.9	D331 N332 T350 P354	D331-S352 WeakPolarHBondContact CA-OG 3.46Å; D331-S352 WeakPolarHBondContact CB-OG 3.26Å; D331-S352 VanDerWaalsContact OD1-CB 3.26Å; D331-S352 WeakPolarHBondContact OD1-CB 3.34Å; D331-S352 PolarHBondContact OD1-N 3.45Å; D331-S352 PolarHBondContact OD1-OG 3.4Å; N332-S352 PolarHBondContact OD1-OG 2.62Å; T350-S352 PolarHBondContact OG1-O 3.39Å; S352-P354 WeakPolarHBondContact O-CD 3.45Å; S352-P354 WeakPolarHBondContact O-CG 3.32Å; S352-P354 VanDerWaalsContact O-N 3.16Å
353	V	34.9	Very low	41.5	Very low	70 Å²	70	42.6 Å²	42.6	42%	0.424	23%	0.233	S	C	.	.			trans	-63.1	100.4	-167.7	-165.6	0	0	0	0	111.8	N332 T376	N332-V353 PolarHBondContact OD1-O 3.43Å; V353-T376 WeakPolarHBondContact CG1-O 3.09Å; V353-T376 VanDerWaalsContact CG2-OG1 3.24Å; V353-T376 WeakPolarHBondContact CG2-OG1 3.48Å
354	P	38.3	Very low	41.7	Very low	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.			trans	-81	134.4	172.7	-3.2	25.6	0	0	0	108.3	T350 S352 I357	T350-P354 HydrophobicContact CG2-CG 3.56Å; T350-P354 WeakPolarHBondContact OG1-CG 3.15Å; S352-P354 WeakPolarHBondContact O-CD 3.45Å; S352-P354 WeakPolarHBondContact O-CG 3.32Å; S352-P354 VanDerWaalsContact O-N 3.16Å; P354-I357 HydrophobicContact CB-CD1 3.59Å; P354-I357 HydrophobicContact CB-CG1 3.71Å; P354-I357 HydrophobicContact CG-CD1 3.65Å; P354-I357 HydrophobicContact CG-CG1 4.35Å
355	T	40.7	Very low	41.7	Very low	82 Å²	82	41.6 Å²	41.6	50%	0.503	24%	0.239	S	C	.	.	S	Bend	trans	-92.3	126.3	164.6	38.5	0	0	0	0	109.1	T378	T355-T378 HydrophobicContact CG2-CG2 4.38Å; T355-T378 WeakPolarHBondContact CG2-OG1 3.06Å
356	N	41.8	Very low	41.5	Very low	94 Å²	94	43.7 Å²	43.7	50%	0.503	25%	0.249	S	C	.	.			trans	58.6	68.8	171	-54.2	-16.6	0	0	0	114	T334 T358 S379	T334-N356 CarbonylContact C-O 3.52Å; T334-N356 WeakPolarHBondContact CA-O 3.25Å; N356-T358 PolarHBondContact O-N 3.15Å; N356-S379 WeakPolarHBondContact CA-O 3.41Å
357	I	39.3	Very low	41.6	Very low	8 Å²	8	43.4 Å²	43.4	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.9	167.9	-64.9	163.2	0	0	0	108.2	Q333 T334 V348 T350 P354 T359 S379 F380 D381	Q333-I357 WeakPolarHBondContact O-CG1 3.21Å; T334-I357 WeakPolarHBondContact O-CA 3.15Å; V348-I357 HydrophobicContact CG1-CD1 4.37Å; T350-I357 HydrophobicContact CG2-CD1 4.14Å; P354-I357 HydrophobicContact CB-CD1 3.59Å; P354-I357 HydrophobicContact CB-CG1 3.71Å; P354-I357 HydrophobicContact CG-CD1 3.65Å; P354-I357 HydrophobicContact CG-CG1 4.35Å; I357-T359 HydrophobicContact CG2-CG2 3.94Å; I357-S379 PolarHBondContact N-O 3.29Å; I357-F380 HydrophobicContact CB-CD2 3.68Å; I357-F380 HydrophobicContact CB-CE2 4Å; I357-F380 HydrophobicContact CD1-CD2 4.23Å; I357-F380 HydrophobicContact CD1-CE2 4.49Å; I357-F380 HydrophobicContact CG2-CD2 3.79Å; I357-F380 HydrophobicContact CG2-CE2 3.55Å; I357-D381 PolarHBondContact O-N 2.87Å
358	T	44.8	Very low	41.5	Very low	57 Å²	57	43.9 Å²	43.9	35%	0.35	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.8	166.6	-52.5	0	0	0	0	109.4	T334 S335 L336 N356 D381	T334-T358 PolarHBondContact O-N 3.23Å; S335-T358 CarbonylContact C-O 3.55Å; S335-T358 VanDerWaalsContact CA-O 3.29Å; S335-T358 WeakPolarHBondContact CA-O 3.38Å; S335-T358 PolarHBondContact OG-O 3.42Å; L336-T358 PolarHBondContact N-O 3.01Å; N356-T358 PolarHBondContact O-N 3.15Å; T358-D381 CarbonylContact C-O 3.6Å; T358-D381 VanDerWaalsContact CA-O 3.26Å; T358-D381 WeakPolarHBondContact CA-O 3.23Å
359	T	44.1	Very low	41.5	Very low	8 Å²	8	43.9 Å²	43.9	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.5	166.6	59.4	0	0	0	0	109.8	L336 E346 V348 I357 F380 D381 T382 S383	L336-T359 HydrophobicContact CB-CG2 4.37Å; L336-T359 CarbonylContact O-C 3.41Å; L336-T359 VanDerWaalsContact O-CA 3.25Å; L336-T359 WeakPolarHBondContact O-CA 3.31Å; E346-T359 WeakPolarHBondContact OE1-CB 3.48Å; E346-T359 VanDerWaalsContact OE1-CG2 3.27Å; E346-T359 WeakPolarHBondContact OE1-CG2 3.33Å; V348-T359 HydrophobicContact CG2-CG2 4.15Å; I357-T359 HydrophobicContact CG2-CG2 3.94Å; T359-F380 HydrophobicContact CG2-CE2 4.22Å; T359-F380 HydrophobicContact CG2-CZ 4.1Å; T359-D381 PolarHBondContact N-O 2.87Å; T359-T382 CarbonylContact O-C 3.53Å; T359-T382 WeakPolarHBondContact O-CA 3.26Å; T359-T382 WeakPolarHBondContact OG1-CB 3.13Å; T359-T382 WeakPolarHBondContact OG1-CG2 3.35Å; T359-T382 PolarHBondContact OG1-OG1 2.78Å; T359-S383 PolarHBondContact O-N 3.34Å
360	S	45.5	Very low	41.3	Very low	30 Å²	30	39.2 Å²	39.2	21%	0.21	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.3	176	-176.9	0	0	0	0	110.1	L336 T337 S338 S383	L336-S360 PolarHBondContact O-N 3.15Å; T337-S360 CarbonylContact C-O 3.56Å; T337-S360 WeakPolarHBondContact CA-O 3.25Å; S338-S360 PolarHBondContact N-O 3.33Å; S338-S360 PolarHBondContact OG-O 2.95Å; S360-S383 VanDerWaalsContact CA-O 3.31Å; S360-S383 WeakPolarHBondContact CA-O 3.43Å; S360-S383 WeakPolarHBondContact CB-OG 3.47Å; S360-S383 PolarHBondContact OG-OG 2.75Å
361	S	48.2	Very low	41.4	Very low	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	175.3	79.5	0	0	0	0	112.4	S338 S383 Q384 T385	S338-S361 WeakPolarHBondContact O-CA 3.29Å; S338-S361 WeakPolarHBondContact OG-CB 3.37Å; S361-S383 PolarHBondContact N-O 2.7Å; S361-Q384 WeakPolarHBondContact O-CA 3.39Å; S361-Q384 WeakPolarHBondContact OG-CG 3.2Å; S361-Q384 PolarHBondContact OG-NE2 3.24Å; S361-T385 PolarHBondContact O-N 2.89Å
362	T	45.3	Very low	41.1	Very low	63 Å²	63	36.1 Å²	36.1	39%	0.387	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.5	165.9	58.7	0	0	0	0	109.5	S338 T339 S340 T385	S338-T362 PolarHBondContact O-N 2.65Å; T339-T362 WeakPolarHBondContact CA-O 2.87Å; T339-T362 VanDerWaalsContact CG2-OG1 3.22Å; T339-T362 WeakPolarHBondContact CG2-OG1 3.49Å; S340-T362 PolarHBondContact N-O 3.09Å; T362-T385 WeakPolarHBondContact CA-O 3.17Å
363	V	50.1	Low	40.9	Very low	6 Å²	6	40.1 Å²	40.1	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.7	-177.6	-170.4	0	0	0	0	111.6	S340 L344 T365 T367 T385 S386 S387	S340-V363 VanDerWaalsContact O-CA 3.28Å; S340-V363 WeakPolarHBondContact O-CA 3.42Å; S340-V363 WeakPolarHBondContact OG-CG1 3.41Å; S340-V363 WeakPolarHBondContact OG-CG2 3.32Å; L344-V363 HydrophobicContact CB-CG2 3.86Å; V363-T365 WeakPolarHBondContact CG1-O 3.43Å; V363-T367 WeakPolarHBondContact CB-OG1 3.43Å; V363-T367 HydrophobicContact CG2-CG2 4.03Å; V363-T367 WeakPolarHBondContact CG2-OG1 3.44Å; V363-T385 PolarHBondContact N-O 3.35Å; V363-S386 VanDerWaalsContact O-CA 3.28Å; V363-S386 WeakPolarHBondContact O-CA 3.35Å; V363-S387 PolarHBondContact O-N 3.08Å
364	A	46.8	Very low	40.9	Very low	37 Å²	37	37.1 Å²	37.1	31%	0.306	22%	0.22	S	C	.	.	S	Bend	trans	-68.7	-37.6	176.8	0	0	0	0	0	112.7	S340 S341 S387 T388	S340-A364 PolarHBondContact O-N 3.11Å; S341-A364 WeakPolarHBondContact O-CB 3.45Å; A364-S387 WeakPolarHBondContact CA-OG 3.39Å; A364-S387 PolarHBondContact O-OG 3.43Å; A364-T388 PolarHBondContact O-N 2.85Å; A364-T388 PolarHBondContact O-OG1 2.95Å
365	T	42.2	Very low	40.8	Very low	50 Å²	50	43.4 Å²	43.4	31%	0.307	25%	0.254	S	S	.	.	S	Bend	trans	-142.8	139.2	176.4	54.5	0	0	0	0	113.7	S342 V363 T388	S342-T365 CarbonylContact C-O 3.5Å; S342-T365 VanDerWaalsContact C-O 3.29Å; S342-T365 PolarHBondContact O-OG1 3.29Å; V363-T365 WeakPolarHBondContact CG1-O 3.43Å; T365-T388 WeakPolarHBondContact CA-O 3.39Å; T365-T388 WeakPolarHBondContact CB-O 3.3Å; T365-T388 WeakPolarHBondContact CG2-O 3.31Å; T365-T388 VanDerWaalsContact CG2-OG1 3.28Å; T365-T388 WeakPolarHBondContact CG2-OG1 3.04Å
366	N	39.4	Very low	40.6	Very low	78 Å²	78	43 Å²	43	42%	0.417	25%	0.251	S	S	.	.			trans	44.8	111.7	170.3	-63.9	-33.7	0	0	0	117.8	G389 Q390	N366-G389 WeakPolarHBondContact OD1-CA 3.4Å; N366-Q390 WeakPolarHBondContact CA-O 3.45Å; N366-Q390 PolarHBondContact OD1-N 2.9Å
367	T	41.8	Very low	40.3	Very low	5 Å²	5	39.1 Å²	39.1	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.4	175.6	-43.4	0	0	0	0	111.7	L344 V363 Q390 T391 Q392	L344-T367 HydrophobicContact CB-CG2 4.29Å; V363-T367 WeakPolarHBondContact CB-OG1 3.43Å; V363-T367 HydrophobicContact CG2-CG2 4.03Å; V363-T367 WeakPolarHBondContact CG2-OG1 3.44Å; T367-Q390 PolarHBondContact N-O 2.78Å; T367-T391 WeakPolarHBondContact O-CA 3.37Å; T367-Q392 PolarHBondContact O-N 2.84Å
368	S	37.7	Very low	40.3	Very low	22 Å²	22	42.7 Å²	42.7	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113	170.3	58.6	0	0	0	0	110.2	L344 T345 Q392	L344-S368 PolarHBondContact O-N 2.88Å; T345-S368 VanDerWaalsContact CA-O 3.3Å; T345-S368 WeakPolarHBondContact CA-O 3.27Å; T345-S368 PolarHBondContact OG1-OG 3.43Å; S368-Q392 VanDerWaalsContact CA-O 3.32Å; S368-Q392 WeakPolarHBondContact CA-O 3.47Å
369	A	39.3	Very low	40.1	Very low	8 Å²	8	41.5 Å²	41.5	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.2	173.4	0	0	0	0	0	110.3	Q392 F394	A369-Q392 PolarHBondContact N-O 2.89Å; A369-F394 PolarHBondContact O-N 2.83Å
370	T	35.7	Very low	40.1	Very low	59 Å²	59	41.8 Å²	41.8	36%	0.362	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.1	171.1	-55.8	0	0	0	0	108	E346 S347 P372 F394	E346-T370 PolarHBondContact O-N 2.97Å; E346-T370 VanDerWaalsContact O-N 3.07Å; S347-T370 WeakPolarHBondContact CA-O 3.42Å; S347-T370 PolarHBondContact OG-O 3.29Å; T370-P372 VanDerWaalsContact O-CD 3.27Å; T370-P372 WeakPolarHBondContact O-CD 3.34Å; T370-F394 CarbonylContact C-O 3.52Å; T370-F394 HydrophobicContact CG2-CB 4.46Å
371	V	39	Very low	39.9	Very low	14 Å²	14	43.5 Å²	43.5	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	109.6	175.7	-176.5	0	0	0	0	109	F380 F394 T395 T396	V371-F380 HydrophobicContact CG1-CZ 4.49Å; V371-F380 HydrophobicContact CG2-CE1 4.03Å; V371-F380 HydrophobicContact CG2-CZ 4.11Å; V371-F394 PolarHBondContact N-O 3.46Å; V371-T395 HydrophobicContact CB-CG2 3.94Å; V371-T395 HydrophobicContact CG2-CG2 3.8Å; V371-T396 PolarHBondContact O-N 2.86Å; V371-T396 VanDerWaalsContact O-N 3.14Å; V371-T396 PolarHBondContact O-OG1 3.3Å
372	P	32.2	Very low	39.8	Very low	34 Å²	34	43.8 Å²	43.8	22%	0.221	26%	0.256	C	S	.	.			trans	-69.1	157.2	171.2	-10.5	25.7	0	0	0	112.9	V348 R349 T370 V374	V348-P372 WeakPolarHBondContact O-CD 3.49Å; V348-P372 VanDerWaalsContact O-CG 3.31Å; V348-P372 WeakPolarHBondContact O-CG 3.33Å; R349-P372 HydrophobicContact CB-CG 4.36Å; T370-P372 VanDerWaalsContact O-CD 3.27Å; T370-P372 WeakPolarHBondContact O-CD 3.34Å; P372-V374 WeakPolarHBondContact O-CG2 3.32Å; P372-V374 PolarHBondContact O-N 3.47Å
373	Q	31.4	Very low	40.1	Very low	118 Å²	118	42.7 Å²	42.7	55%	0.551	25%	0.251	S	S	*	.			trans	-48.2	118.4	175.2	-165.2	-163.7	-22.6	0	0	112.3	N375 T396	Q373-N375 PolarHBondContact NE2-OD1 3.02Å; Q373-T396 PolarHBondContact N-OG1 2.96Å; Q373-T396 VanDerWaalsContact N-OG1 3.11Å
374	V	35.3	Very low	40.2	Very low	6 Å²	6	42.6 Å²	42.6	4%	0.036	25%	0.25	C	S	.	.			trans	-109.6	119.7	171.9	-163.7	0	0	0	0	107.2	T350 P372 T376 T377 D397	T350-V374 VanDerWaalsContact OG1-CG1 3.3Å; T350-V374 WeakPolarHBondContact OG1-CG1 3.27Å; P372-V374 WeakPolarHBondContact O-CG2 3.32Å; P372-V374 PolarHBondContact O-N 3.47Å; V374-T376 PolarHBondContact O-N 3.12Å; V374-T377 WeakPolarHBondContact CB-OG1 3.31Å; V374-T377 WeakPolarHBondContact CG1-OG1 3.36Å; V374-D397 WeakPolarHBondContact CB-OD2 3.35Å
375	N	37.1	Very low	40.3	Very low	133 Å²	133	43.6 Å²	43.6	71%	0.711	25%	0.253	S	S	*	.	S	Bend	trans	-66.5	-16.4	-174.2	-85	-11	0	0	0	113.6	Q373	Q373-N375 PolarHBondContact NE2-OD1 3.02Å
376	T	36.1	Very low	40.7	Very low	73 Å²	73	41.2 Å²	41.2	45%	0.448	24%	0.238	S	C	.	.			trans	-167.7	113.9	178.4	45.2	0	0	0	0	110.4	V353 V374	V353-T376 WeakPolarHBondContact CG1-O 3.09Å; V353-T376 VanDerWaalsContact CG2-OG1 3.24Å; V353-T376 WeakPolarHBondContact CG2-OG1 3.48Å; V374-T376 PolarHBondContact O-N 3.12Å
377	T	34.6	Very low	41.2	Very low	12 Å²	12	40.2 Å²	40.2	7%	0.074	24%	0.237	C	C	.	.			trans	-126.1	142.5	168.8	-35.8	0	0	0	0	108.5	V374 T399	V374-T377 WeakPolarHBondContact CB-OG1 3.31Å; V374-T377 WeakPolarHBondContact CG1-OG1 3.36Å; T377-T399 WeakPolarHBondContact CB-OG1 3.1Å; T377-T399 WeakPolarHBondContact O-CG2 3.45Å
378	T	40.4	Very low	41.2	Very low	83 Å²	83	43.3 Å²	43.3	51%	0.509	26%	0.256	S	S	.	.	S	Bend	trans	-89.4	-22.5	177.3	54.3	0	0	0	0	114	T355	T355-T378 HydrophobicContact CG2-CG2 4.38Å; T355-T378 WeakPolarHBondContact CG2-OG1 3.06Å
379	S	40.5	Very low	41.4	Very low	33 Å²	33	42.8 Å²	42.8	23%	0.231	25%	0.254	C	S	.	.			trans	-172.7	138.2	175.2	166.8	0	0	0	0	108.7	N356 I357	N356-S379 WeakPolarHBondContact CA-O 3.41Å; I357-S379 PolarHBondContact N-O 3.29Å
380	F	43.1	Very low	41.4	Very low	13 Å²	13	45.1 Å²	45.1	6%	0.057	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.8	176.8	-177.6	-94.5	0	0	0	108.6	I357 T359 V371 T382 A401 T402 F403	I357-F380 HydrophobicContact CB-CD2 3.68Å; I357-F380 HydrophobicContact CB-CE2 4Å; I357-F380 HydrophobicContact CD1-CD2 4.23Å; I357-F380 HydrophobicContact CD1-CE2 4.49Å; I357-F380 HydrophobicContact CG2-CD2 3.79Å; I357-F380 HydrophobicContact CG2-CE2 3.55Å; T359-F380 HydrophobicContact CG2-CE2 4.22Å; T359-F380 HydrophobicContact CG2-CZ 4.1Å; V371-F380 HydrophobicContact CG1-CZ 4.49Å; V371-F380 HydrophobicContact CG2-CE1 4.03Å; V371-F380 HydrophobicContact CG2-CZ 4.11Å; F380-T382 WeakPolarHBondContact CE1-OG1 3.41Å; F380-T382 WeakPolarHBondContact CZ-OG1 3.28Å; F380-A401 HydrophobicContact CB-CB 4.02Å; F380-A401 HydrophobicContact CD1-CB 4.08Å; F380-A401 CarbonylContact O-C 3.54Å; F380-A401 VanDerWaalsContact O-CA 3.25Å; F380-A401 WeakPolarHBondContact O-CA 3.3Å; F380-A401 WeakPolarHBondContact O-CB 3.07Å; F380-T402 PolarHBondContact O-N 2.96Å; F380-F403 HydrophobicContact CD1-CE1 4.28Å; F380-F403 HydrophobicContact CD1-CZ 4.18Å; F380-F403 HydrophobicContact CE1-CE1 4Å; F380-F403 HydrophobicContact CE1-CZ 4.23Å
381	D	42.1	Very low	41.6	Very low	66 Å²	66	43 Å²	43	35%	0.353	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.3	178	-75.4	-21.2	0	0	0	109.4	I357 T358 T359 T402	I357-D381 PolarHBondContact O-N 2.87Å; T358-D381 CarbonylContact C-O 3.6Å; T358-D381 VanDerWaalsContact CA-O 3.26Å; T358-D381 WeakPolarHBondContact CA-O 3.23Å; T359-D381 PolarHBondContact N-O 2.87Å; D381-T402 WeakPolarHBondContact CA-O 3.17Å; D381-T402 WeakPolarHBondContact OD1-CB 3.27Å; D381-T402 PolarHBondContact OD1-OG1 3.01Å; D381-T402 VanDerWaalsContact OD1-OG1 3.04Å
382	T	46.6	Very low	41.6	Very low	6 Å²	6	44.9 Å²	44.9	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.6	171.2	-65.5	0	0	0	0	109.8	T359 F380 Q384 T402 F403 T404	T359-T382 CarbonylContact O-C 3.53Å; T359-T382 WeakPolarHBondContact O-CA 3.26Å; T359-T382 WeakPolarHBondContact OG1-CB 3.13Å; T359-T382 WeakPolarHBondContact OG1-CG2 3.35Å; T359-T382 PolarHBondContact OG1-OG1 2.78Å; F380-T382 WeakPolarHBondContact CE1-OG1 3.41Å; F380-T382 WeakPolarHBondContact CZ-OG1 3.28Å; T382-Q384 HydrophobicContact CG2-CG 3.92Å; T382-T402 PolarHBondContact N-O 2.83Å; T382-T402 VanDerWaalsContact N-O 3.09Å; T382-F403 HydrophobicContact CG2-CD1 4.23Å; T382-F403 HydrophobicContact CG2-CE1 4.49Å; T382-T404 PolarHBondContact O-N 2.66Å
383	S	50.2	Low	41.8	Very low	40 Å²	40	43.6 Å²	43.6	28%	0.28	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.7	170.6	61.7	0	0	0	0	110.7	T359 S360 S361 T404	T359-S383 PolarHBondContact O-N 3.34Å; S360-S383 VanDerWaalsContact CA-O 3.31Å; S360-S383 WeakPolarHBondContact CA-O 3.43Å; S360-S383 WeakPolarHBondContact CB-OG 3.47Å; S360-S383 PolarHBondContact OG-OG 2.75Å; S361-S383 PolarHBondContact N-O 2.7Å; S383-T404 CarbonylContact C-O 3.22Å; S383-T404 VanDerWaalsContact CA-O 3.25Å; S383-T404 WeakPolarHBondContact CA-O 3.28Å
384	Q	51.7	Low	42	Very low	5 Å²	5	41.6 Å²	41.6	2%	0.023	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.1	176.3	-61	-144	-20.9	0	0	111.9	S361 T382 T391 T404 S405 T406	S361-Q384 WeakPolarHBondContact O-CA 3.39Å; S361-Q384 WeakPolarHBondContact OG-CG 3.2Å; S361-Q384 PolarHBondContact OG-NE2 3.24Å; T382-Q384 HydrophobicContact CG2-CG 3.92Å; Q384-T391 HydrophobicContact CB-CG2 4.47Å; Q384-T404 PolarHBondContact N-O 2.77Å; Q384-S405 CarbonylContact O-C 3.56Å; Q384-S405 WeakPolarHBondContact O-CA 3.16Å; Q384-T406 PolarHBondContact O-N 2.68Å
385	T	50.5	Low	42	Very low	58 Å²	58	41.7 Å²	41.7	36%	0.356	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.3	172.8	-52	0	0	0	0	109.2	S361 T362 V363	S361-T385 PolarHBondContact O-N 2.89Å; T362-T385 WeakPolarHBondContact CA-O 3.17Å; V363-T385 PolarHBondContact N-O 3.35Å
386	S	50.9	Low	41.8	Very low	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.7	172.7	74.1	0	0	0	0	110.9	V363 G389 T406 S408	V363-S386 VanDerWaalsContact O-CA 3.28Å; V363-S386 WeakPolarHBondContact O-CA 3.35Å; S386-G389 PolarHBondContact OG-O 3.37Å; S386-T406 PolarHBondContact N-O 2.96Å; S386-S408 WeakPolarHBondContact O-CB 3.38Å; S386-S408 PolarHBondContact O-N 3.44Å; S386-S408 PolarHBondContact O-OG 3.46Å
387	S	49.8	Very low	41.6	Very low	56 Å²	56	36 Å²	36	39%	0.392	21%	0.209	S	C	.	.	S	Bend	trans	-80.2	-34.6	175.3	55.5	0	0	0	0	113	V363 A364 S408 T409	V363-S387 PolarHBondContact O-N 3.08Å; A364-S387 WeakPolarHBondContact CA-OG 3.39Å; A364-S387 PolarHBondContact O-OG 3.43Å; S387-S408 WeakPolarHBondContact O-CB 3.49Å; S387-T409 PolarHBondContact O-OG1 3.2Å
388	T	41.3	Very low	41.8	Very low	70 Å²	70	43.2 Å²	43.2	43%	0.429	24%	0.235	S	C	.	.	S	Bend	trans	-152.9	99.9	176.8	44.6	0	0	0	0	110.3	A364 T365	A364-T388 PolarHBondContact O-N 2.85Å; A364-T388 PolarHBondContact O-OG1 2.95Å; T365-T388 WeakPolarHBondContact CA-O 3.39Å; T365-T388 WeakPolarHBondContact CB-O 3.3Å; T365-T388 WeakPolarHBondContact CG2-O 3.31Å; T365-T388 VanDerWaalsContact CG2-OG1 3.28Å; T365-T388 WeakPolarHBondContact CG2-OG1 3.04Å
389	G	41	Very low	41.7	Very low	11 Å²	11	40.3 Å²	40.3	11%	0.113	22%	0.217	C	C	.	.	S	Bend	trans	146.3	-179	171.3	0	0	0	0	0	117.5	N366 S386	N366-G389 WeakPolarHBondContact OD1-CA 3.4Å; S386-G389 PolarHBondContact OG-O 3.37Å
390	Q	40.1	Very low	41.7	Very low	58 Å²	58	42 Å²	42	27%	0.271	23%	0.227	S	C	.	.			trans	-75.6	136.9	-172.7	-174.1	-167.2	77.1	0	0	111.9	N366 T367 Q392 T413	N366-Q390 WeakPolarHBondContact CA-O 3.45Å; N366-Q390 PolarHBondContact OD1-N 2.9Å; T367-Q390 PolarHBondContact N-O 2.78Å; Q390-Q392 HydrophobicContact CG-CG 4.12Å; Q390-T413 PolarHBondContact NE2-OG1 3.42Å
391	T	39.1	Very low	41.6	Very low	13 Å²	13	41.6 Å²	41.6	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.6	168.3	-57.6	0	0	0	0	108.8	T367 Q384 I393	T367-T391 WeakPolarHBondContact O-CA 3.37Å; Q384-T391 HydrophobicContact CB-CG2 4.47Å; T391-I393 HydrophobicContact CG2-CD1 4.43Å; T391-I393 HydrophobicContact CG2-CG1 4.21Å
392	Q	38.7	Very low	41.6	Very low	54 Å²	54	41 Å²	41	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	171.5	-69.3	-173.5	87.6	0	0	109.6	T367 S368 A369 Q390 F394	T367-Q392 PolarHBondContact O-N 2.84Å; S368-Q392 VanDerWaalsContact CA-O 3.32Å; S368-Q392 WeakPolarHBondContact CA-O 3.47Å; A369-Q392 PolarHBondContact N-O 2.89Å; Q390-Q392 HydrophobicContact CG-CG 4.12Å; Q392-F394 HydrophobicContact CB-CE2 4.03Å
393	I	37.3	Very low	41.6	Very low	7 Å²	7	40.7 Å²	40.7	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.9	176.1	-56.3	166.2	0	0	0	107	T391 T395 F403 T415	T391-I393 HydrophobicContact CG2-CD1 4.43Å; T391-I393 HydrophobicContact CG2-CG1 4.21Å; I393-T395 HydrophobicContact CG2-CG2 4Å; I393-F403 HydrophobicContact CD1-CB 4.18Å; I393-F403 HydrophobicContact CD1-CD1 3.79Å; I393-F403 HydrophobicContact CD1-CG 4.16Å; I393-F403 HydrophobicContact CG2-CD1 3.89Å; I393-F403 HydrophobicContact CG2-CE1 3.65Å; I393-F403 HydrophobicContact CG2-CZ 4.18Å; I393-T415 HydrophobicContact CB-CG2 3.96Å
394	F	35.1	Very low	41.5	Very low	77 Å²	77	41.6 Å²	41.6	34%	0.338	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.7	169.4	-63.3	-83.8	0	0	0	108.1	A369 T370 V371 Q392	A369-F394 PolarHBondContact O-N 2.83Å; T370-F394 CarbonylContact C-O 3.52Å; T370-F394 HydrophobicContact CG2-CB 4.46Å; V371-F394 PolarHBondContact N-O 3.46Å; Q392-F394 HydrophobicContact CB-CE2 4.03Å
395	T	35.6	Very low	41.3	Very low	7 Å²	7	42 Å²	42	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.1	168.5	72.1	0	0	0	0	110.6	V371 I393 F403 T418 Q421	V371-T395 HydrophobicContact CB-CG2 3.94Å; V371-T395 HydrophobicContact CG2-CG2 3.8Å; I393-T395 HydrophobicContact CG2-CG2 4Å; T395-F403 HydrophobicContact CG2-CE1 4.27Å; T395-F403 HydrophobicContact CG2-CE2 4.21Å; T395-F403 HydrophobicContact CG2-CZ 3.56Å; T395-T418 WeakPolarHBondContact O-CB 3.21Å; T395-T418 PolarHBondContact O-OG1 2.79Å; T395-Q421 PolarHBondContact OG1-NE2 3.35Å; T395-Q421 PolarHBondContact OG1-OE1 3.13Å
396	T	34.2	Very low	41.4	Very low	72 Å²	72	41.9 Å²	41.9	44%	0.442	23%	0.23	S	C	.	.			trans	-123.8	7.4	176.1	52.6	0	0	0	0	112.7	V371 Q373	V371-T396 PolarHBondContact O-N 2.86Å; V371-T396 VanDerWaalsContact O-N 3.14Å; V371-T396 PolarHBondContact O-OG1 3.3Å; Q373-T396 PolarHBondContact N-OG1 2.96Å; Q373-T396 VanDerWaalsContact N-OG1 3.11Å
397	D	31.5	Very low	41.4	Very low	14 Å²	14	42.4 Å²	42.4	8%	0.075	23%	0.234	C	C	.	.			trans	-99.7	150.5	-177.5	-170.6	24.9	0	0	0	112.8	V374 T399 D419	V374-D397 WeakPolarHBondContact CB-OD2 3.35Å; D397-T399 PolarHBondContact OD2-OG1 3.01Å; D397-D419 VanDerWaalsContact O-O 3.12Å
398	R	38.9	Very low	41.3	Very low	164 Å²	164	42.1 Å²	42.1	62%	0.619	23%	0.232	S	C	*	.			trans	-89.5	12.3	-177.8	-62.1	-174.6	175	118.1	1	114.1	D419 N420	R398-D419 HydrophobicContact CG-CB 4.24Å; R398-N420 HydrophobicContact CB-CB 4.48Å; R398-N420 WeakPolarHBondContact O-CB 3.48Å
399	T	38.4	Very low	41.3	Very low	23 Å²	23	41.7 Å²	41.7	14%	0.141	23%	0.229	C	C	.	.	S	Bend	trans	-104.3	144	-176	61.6	0	0	0	0	113.3	T377 D397 A401	T377-T399 WeakPolarHBondContact CB-OG1 3.1Å; T377-T399 WeakPolarHBondContact O-CG2 3.45Å; D397-T399 PolarHBondContact OD2-OG1 3.01Å; T399-A401 PolarHBondContact O-N 3.29Å
400	P	39.1	Very low	41.1	Very low	67 Å²	67	44.2 Å²	44.2	44%	0.435	25%	0.245	S	C	.	.			trans	-57.1	125.7	176.7	-26	35.9	0	0	0	112	T422	P400-T422 HydrophobicContact CB-CG2 3.93Å; P400-T422 WeakPolarHBondContact CB-OG1 3.08Å; P400-T422 HydrophobicContact CG-CG2 4.27Å
401	A	42.1	Very low	41	Very low	6 Å²	6	45.3 Å²	45.3	5%	0.05	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.8	179	0	0	0	0	0	110.4	F380 T399 F403	F380-A401 HydrophobicContact CB-CB 4.02Å; F380-A401 HydrophobicContact CD1-CB 4.08Å; F380-A401 CarbonylContact O-C 3.54Å; F380-A401 VanDerWaalsContact O-CA 3.25Å; F380-A401 WeakPolarHBondContact O-CA 3.3Å; F380-A401 WeakPolarHBondContact O-CB 3.07Å; T399-A401 PolarHBondContact O-N 3.29Å; A401-F403 HydrophobicContact CB-CD2 4.37Å; A401-F403 HydrophobicContact CB-CE2 3.5Å; A401-F403 HydrophobicContact CB-CZ 3.76Å
402	T	42.7	Very low	40.8	Very low	52 Å²	52	45.9 Å²	45.9	32%	0.319	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127	172.3	-36.4	0	0	0	0	108.9	F380 D381 T382	F380-T402 PolarHBondContact O-N 2.96Å; D381-T402 WeakPolarHBondContact CA-O 3.17Å; D381-T402 WeakPolarHBondContact OD1-CB 3.27Å; D381-T402 PolarHBondContact OD1-OG1 3.01Å; D381-T402 VanDerWaalsContact OD1-OG1 3.04Å; T382-T402 PolarHBondContact N-O 2.83Å; T382-T402 VanDerWaalsContact N-O 3.09Å
403	F	45.3	Very low	40.6	Very low	1 Å²	1	46.3 Å²	46.3	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.8	176.1	-66	-81.6	0	0	0	109.8	F380 T382 I393 T395 A401 L417 Q421 S423 L424 T425	F380-F403 HydrophobicContact CD1-CE1 4.28Å; F380-F403 HydrophobicContact CD1-CZ 4.18Å; F380-F403 HydrophobicContact CE1-CE1 4Å; F380-F403 HydrophobicContact CE1-CZ 4.23Å; T382-F403 HydrophobicContact CG2-CD1 4.23Å; T382-F403 HydrophobicContact CG2-CE1 4.49Å; I393-F403 HydrophobicContact CD1-CB 4.18Å; I393-F403 HydrophobicContact CD1-CD1 3.79Å; I393-F403 HydrophobicContact CD1-CG 4.16Å; I393-F403 HydrophobicContact CG2-CD1 3.89Å; I393-F403 HydrophobicContact CG2-CE1 3.65Å; I393-F403 HydrophobicContact CG2-CZ 4.18Å; T395-F403 HydrophobicContact CG2-CE1 4.27Å; T395-F403 HydrophobicContact CG2-CE2 4.21Å; T395-F403 HydrophobicContact CG2-CZ 3.56Å; A401-F403 HydrophobicContact CB-CD2 4.37Å; A401-F403 HydrophobicContact CB-CE2 3.5Å; A401-F403 HydrophobicContact CB-CZ 3.76Å; F403-L417 HydrophobicContact CD2-CD2 4.44Å; F403-L417 HydrophobicContact CE2-CD2 4.39Å; F403-Q421 VanDerWaalsContact CE2-OE1 3.3Å; F403-S423 PolarHBondContact N-O 3.26Å; F403-L424 HydrophobicContact CB-CD1 3.52Å; F403-T425 PolarHBondContact O-N 3.06Å; F403-T425 VanDerWaalsContact O-O 3.13Å
404	T	47.8	Very low	40.4	Very low	58 Å²	58	49 Å²	49	36%	0.356	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.3	171.6	-56.9	0	0	0	0	109.4	T382 S383 Q384 T425	T382-T404 PolarHBondContact O-N 2.66Å; S383-T404 CarbonylContact C-O 3.22Å; S383-T404 VanDerWaalsContact CA-O 3.25Å; S383-T404 WeakPolarHBondContact CA-O 3.28Å; Q384-T404 PolarHBondContact N-O 2.77Å; T404-T425 CarbonylContact C-O 3.5Å; T404-T425 VanDerWaalsContact CA-O 3.32Å; T404-T425 WeakPolarHBondContact CA-O 3.26Å
405	S	47.7	Very low	40.6	Very low	14 Å²	14	46.2 Å²	46.2	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.6	175	59.6	0	0	0	0	111.5	Q384 T425 S426 T427	Q384-S405 CarbonylContact O-C 3.56Å; Q384-S405 WeakPolarHBondContact O-CA 3.16Å; S405-T425 PolarHBondContact N-O 3.48Å; S405-S426 CarbonylContact O-C 3.52Å; S405-S426 WeakPolarHBondContact O-CA 3.01Å; S405-T427 PolarHBondContact O-N 2.92Å; S405-T427 PolarHBondContact O-OG1 2.81Å
406	T	52.6	Low	40.5	Very low	55 Å²	55	47.5 Å²	47.5	34%	0.337	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	76.1	177.8	-45.7	0	0	0	0	110.8	Q384 S386 T427	Q384-T406 PolarHBondContact O-N 2.68Å; S386-T406 PolarHBondContact N-O 2.96Å; T406-T427 WeakPolarHBondContact CA-O 3.37Å; T406-T427 PolarHBondContact OG1-OG1 3.06Å
407	P	51.1	Low	40.8	Very low	12 Å²	12	44.4 Å²	44.4	8%	0.078	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.4	172.1	25.7	-34.7	0	0	0	112.5	T427 S428 L432	P407-T427 WeakPolarHBondContact CD-O 3.38Å; P407-S428 WeakPolarHBondContact O-CA 3.12Å; P407-L432 HydrophobicContact CG-CD1 4.12Å
408	S	47.2	Very low	41	Very low	50 Å²	50	45.3 Å²	45.3	35%	0.35	27%	0.268	S	S	.	.	S	Bend	trans	-82.3	-28.6	179.8	-49.2	0	0	0	0	113.1	S386 S387 S429	S386-S408 WeakPolarHBondContact O-CB 3.38Å; S386-S408 PolarHBondContact O-N 3.44Å; S386-S408 PolarHBondContact O-OG 3.46Å; S387-S408 WeakPolarHBondContact O-CB 3.49Å; S408-S429 PolarHBondContact O-OG 2.75Å
409	T	42	Very low	40.9	Very low	61 Å²	61	38.9 Å²	38.9	37%	0.374	25%	0.246	S	C	.	.	S	Bend	trans	-159.5	134.9	171.5	50.7	0	0	0	0	113.7	S387	S387-T409 PolarHBondContact O-OG1 3.2Å
410	S	36.2	Very low	40.9	Very low	63 Å²	63	40.3 Å²	40.3	44%	0.441	25%	0.253	S	S	.	.	S	Bend	trans	78.3	148.8	163.6	80.5	0	0	0	0	121.9
411	T	38	Very low	41.3	Very low	81 Å²	81	37.7 Å²	37.7	50%	0.497	24%	0.235	S	C	.	.			trans	-12.3	106.4	-178.4	53.5	0	0	0	0	118.9
412	S	36.2	Very low	41.5	Very low	25 Å²	25	39.5 Å²	39.5	18%	0.175	25%	0.245	C	C	.	.			trans	-75.5	144.2	160.9	43.6	0	0	0	0	111.2	T433	S412-T433 WeakPolarHBondContact CB-O 3.47Å; S412-T433 VanDerWaalsContact OG-C 3.29Å; S412-T433 PolarHBondContact OG-N 2.87Å; S412-T433 PolarHBondContact OG-O 3.43Å
413	T	33.3	Very low	41.7	Very low	63 Å²	63	38.4 Å²	38.4	39%	0.387	24%	0.24	S	C	.	.			trans	-122.3	155.9	176.8	-8.2	0	0	0	0	106.9	Q390	Q390-T413 PolarHBondContact NE2-OG1 3.42Å
414	P	33.1	Very low	41.8	Very low	65 Å²	65	38.6 Å²	38.6	42%	0.422	24%	0.241	S	C	.	.			trans	-56.8	134.1	-143.8	21.2	-33.8	0	0	0	115.3
415	T	40.7	Very low	41.9	Very low	17 Å²	17	37.6 Å²	37.6	10%	0.104	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.1	167.8	-51.5	0	0	0	0	108.6	I393 L417 S435 V436 R437	I393-T415 HydrophobicContact CB-CG2 3.96Å; T415-L417 HydrophobicContact CG2-CD2 4.37Å; T415-L417 HydrophobicContact CG2-CG 4.13Å; T415-S435 WeakPolarHBondContact CA-O 2.89Å; T415-S435 WeakPolarHBondContact CB-O 3.36Å; T415-S435 PolarHBondContact N-O 3.46Å; T415-V436 WeakPolarHBondContact O-CA 3.22Å; T415-R437 PolarHBondContact O-N 2.94Å; T415-R437 VanDerWaalsContact O-N 3.09Å
416	T	33.5	Very low	42.1	Very low	34 Å²	34	37.1 Å²	37.1	21%	0.209	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	103.4	174.6	-55.4	0	0	0	0	108.2	R437	T416-R437 CarbonylContact C-O 3.53Å; T416-R437 HydrophobicContact CG2-CB 4.2Å; T416-R437 HydrophobicContact CG2-CG 4.43Å
417	L	38.8	Very low	42.1	Very low	8 Å²	8	36.5 Å²	36.5	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	94.4	177.5	-70.9	159.4	0	0	0	108.3	F403 T415 Q421 L424 V436 R437 T438	F403-L417 HydrophobicContact CD2-CD2 4.44Å; F403-L417 HydrophobicContact CE2-CD2 4.39Å; T415-L417 HydrophobicContact CG2-CD2 4.37Å; T415-L417 HydrophobicContact CG2-CG 4.13Å; L417-Q421 VanDerWaalsContact C-NE2 3.28Å; L417-Q421 HydrophobicContact CD2-CB 4.49Å; L417-L424 HydrophobicContact CD1-CD2 4.41Å; L417-V436 HydrophobicContact CB-CG1 4.28Å; L417-V436 HydrophobicContact CD1-CB 3.94Å; L417-V436 HydrophobicContact CD1-CG1 3.3Å; L417-V436 HydrophobicContact CD1-CG2 3.68Å; L417-V436 HydrophobicContact CG-CG1 4.29Å; L417-R437 CarbonylContact C-O 3.55Å; L417-R437 VanDerWaalsContact C-O 3.31Å; L417-R437 PolarHBondContact N-O 2.9Å; L417-T438 HydrophobicContact CB-CG2 4.24Å; L417-T438 WeakPolarHBondContact O-CA 3.31Å; L417-T438 VanDerWaalsContact O-CB 3.32Å; L417-T438 WeakPolarHBondContact O-CB 2.91Å; L417-T438 VanDerWaalsContact O-CG2 3.32Å; L417-T438 WeakPolarHBondContact O-CG2 3.47Å
418	T	35.4	Very low	42.1	Very low	32 Å²	32	36.6 Å²	36.6	20%	0.196	23%	0.229	C	C	.	.			trans	-79	130.5	173.9	-39.9	0	0	0	0	109	T395 Q421 T439	T395-T418 WeakPolarHBondContact O-CB 3.21Å; T395-T418 PolarHBondContact O-OG1 2.79Å; T418-Q421 PolarHBondContact O-NE2 2.89Å; T418-T439 WeakPolarHBondContact CG2-OG1 3.39Å
419	D	37.6	Very low	42.3	Very low	29 Å²	29	37.3 Å²	37.3	16%	0.155	23%	0.234	C	C	.	.	S	Bend	trans	54.8	122.2	165.2	-54.7	-7.1	0	0	0	120.4	D397 R398 Q421 T439 S440	D397-D419 VanDerWaalsContact O-O 3.12Å; R398-D419 HydrophobicContact CG-CB 4.24Å; D419-Q421 PolarHBondContact O-N 2.87Å; D419-T439 PolarHBondContact OD1-OG1 2.96Å; D419-S440 VanDerWaalsContact CA-OG 3.23Å; D419-S440 WeakPolarHBondContact CA-OG 3.22Å; D419-S440 VanDerWaalsContact CB-OG 3.24Å; D419-S440 WeakPolarHBondContact CB-OG 3.47Å; D419-S440 WeakPolarHBondContact OD1-CB 3.07Å; D419-S440 PolarHBondContact OD1-N 2.8Å; D419-S440 PolarHBondContact OD1-OG 3.45Å
420	N	38.8	Very low	42.6	Very low	54 Å²	54	36.2 Å²	36.2	29%	0.289	23%	0.229	S	C	.	.	S	Bend	trans	52.9	44.2	165.3	-71.5	-9	0	0	0	119.1	R398 V441	R398-N420 HydrophobicContact CB-CB 4.48Å; R398-N420 WeakPolarHBondContact O-CB 3.48Å; N420-V441 PolarHBondContact OD1-O 2.91Å
421	Q	47.1	Very low	43.1	Very low	11 Å²	11	38.4 Å²	38.4	5%	0.051	23%	0.23	C	C	.	.			trans	-103.4	148.8	-178.9	-62.4	-176.3	68.3	0	0	113.8	T395 F403 L417 T418 D419 I445	T395-Q421 PolarHBondContact OG1-NE2 3.35Å; T395-Q421 PolarHBondContact OG1-OE1 3.13Å; F403-Q421 VanDerWaalsContact CE2-OE1 3.3Å; L417-Q421 VanDerWaalsContact C-NE2 3.28Å; L417-Q421 HydrophobicContact CD2-CB 4.49Å; T418-Q421 PolarHBondContact O-NE2 2.89Å; D419-Q421 PolarHBondContact O-N 2.87Å; Q421-I445 WeakPolarHBondContact O-CG1 3.39Å
422	T	46.3	Very low	43.4	Very low	44 Å²	44	34.8 Å²	34.8	27%	0.27	21%	0.208	S	C	.	.			trans	-111.5	-30.3	-168.5	44.9	0	0	0	0	116	P400 N444 T446	P400-T422 HydrophobicContact CB-CG2 3.93Å; P400-T422 WeakPolarHBondContact CB-OG1 3.08Å; P400-T422 HydrophobicContact CG-CG2 4.27Å; T422-N444 CarbonylContact C-O 3.35Å; T422-N444 WeakPolarHBondContact CA-O 3.45Å; T422-T446 PolarHBondContact O-N 2.89Å
423	S	48.1	Very low	43.9	Very low	30 Å²	30	35.1 Å²	35.1	21%	0.21	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	136.5	-177.8	-165	0	0	0	0	115.6	F403 T446	F403-S423 PolarHBondContact N-O 3.26Å; S423-T446 CarbonylContact C-O 3.55Å; S423-T446 VanDerWaalsContact CA-O 3.25Å; S423-T446 WeakPolarHBondContact CA-O 3.2Å; S423-T446 PolarHBondContact OG-O 3.19Å
424	L	46.8	Very low	44.4	Very low	4 Å²	4	32.9 Å²	32.9	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.2	169.9	176.9	60.3	0	0	0	109.4	F403 L417 E434 V436 T446 T447 S448	F403-L424 HydrophobicContact CB-CD1 3.52Å; L417-L424 HydrophobicContact CD1-CD2 4.41Å; L424-E434 HydrophobicContact CD2-CG 4.05Å; L424-E434 WeakPolarHBondContact CD2-OE1 3.49Å; L424-E434 WeakPolarHBondContact CG-OE1 3.48Å; L424-V436 HydrophobicContact CD2-CG2 4.12Å; L424-T446 PolarHBondContact N-O 2.82Å; L424-T447 HydrophobicContact CB-CG2 4.38Å; L424-T447 WeakPolarHBondContact O-CA 3.5Å; L424-S448 PolarHBondContact O-N 3.45Å
425	T	50.2	Low	44.9	Very low	38 Å²	38	30.8 Å²	30.8	23%	0.233	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.9	178.4	-59	0	0	0	0	109.8	F403 T404 S405 S448	F403-T425 PolarHBondContact O-N 3.06Å; F403-T425 VanDerWaalsContact O-O 3.13Å; T404-T425 CarbonylContact C-O 3.5Å; T404-T425 VanDerWaalsContact CA-O 3.32Å; T404-T425 WeakPolarHBondContact CA-O 3.26Å; S405-T425 PolarHBondContact N-O 3.48Å; T425-S448 WeakPolarHBondContact CA-O 3.28Å; T425-S448 WeakPolarHBondContact CG2-OG 3.41Å; T425-S448 PolarHBondContact OG1-OG 2.99Å
426	S	50.7	Low	45	Very low	3 Å²	3	30.7 Å²	30.7	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.5	-174.8	59	0	0	0	0	111.3	S405 L432 E434 S448 S449 T450	S405-S426 CarbonylContact O-C 3.52Å; S405-S426 WeakPolarHBondContact O-CA 3.01Å; S426-L432 WeakPolarHBondContact OG-CD2 3.39Å; S426-E434 PolarHBondContact OG-OE2 3.48Å; S426-S448 PolarHBondContact N-O 3.39Å; S426-S448 PolarHBondContact OG-O 3.42Å; S426-S449 VanDerWaalsContact O-CA 3.29Å; S426-S449 WeakPolarHBondContact O-CA 3.39Å; S426-S449 WeakPolarHBondContact OG-CB 3.29Å; S426-T450 PolarHBondContact O-N 3.21Å
427	T	52.6	Low	45.4	Very low	42 Å²	42	36.5 Å²	36.5	26%	0.258	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.1	-179.4	51.8	0	0	0	0	109.8	S405 T406 P407 T450	S405-T427 PolarHBondContact O-N 2.92Å; S405-T427 PolarHBondContact O-OG1 2.81Å; T406-T427 WeakPolarHBondContact CA-O 3.37Å; T406-T427 PolarHBondContact OG1-OG1 3.06Å; P407-T427 WeakPolarHBondContact CD-O 3.38Å; T427-T450 WeakPolarHBondContact CA-O 3.43Å; T427-T450 WeakPolarHBondContact CG2-OG1 3.18Å
428	S	52.5	Low	45.5	Very low	15 Å²	15	37.2 Å²	37.2	11%	0.105	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.4	-179.1	81.9	0	0	0	0	113.7	P407 T450 V451 A452	P407-S428 WeakPolarHBondContact O-CA 3.12Å; S428-T450 PolarHBondContact N-O 3.18Å; S428-V451 WeakPolarHBondContact O-CA 3.33Å; S428-V451 WeakPolarHBondContact OG-CG1 3.37Å; S428-A452 PolarHBondContact O-N 3.02Å
429	S	50.2	Low	45.6	Very low	65 Å²	65	40.4 Å²	40.4	46%	0.455	22%	0.223	S	C	.	.	S	Bend	trans	-82.9	-16.1	-177	78	0	0	0	0	114.9	S408 A452	S408-S429 PolarHBondContact O-OG 2.75Å; S429-A452 WeakPolarHBondContact O-CB 3.42Å
430	S	48.1	Very low	45.8	Very low	38 Å²	38	41 Å²	41	27%	0.266	23%	0.229	S	C	.	.	S	Bend	trans	-148.3	-41	-162.4	48.6	0	0	0	0	117.1	T453	S430-T453 CarbonylContact C-O 3.57Å; S430-T453 WeakPolarHBondContact CA-OG1 3.41Å; S430-T453 PolarHBondContact O-OG1 2.91Å
431	K	47.5	Very low	45.8	Very low	108 Å²	108	41.4 Å²	41.4	47%	0.47	23%	0.233	S	C	.	.			trans	-168.4	128.9	174.7	-175.4	176.5	178.3	-178.6	0	109.5
432	L	44.8	Very low	45.5	Very low	6 Å²	6	41 Å²	41	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.1	175.7	-169	78.6	0	0	0	111.3	P407 S426 E434 V451 S456	P407-L432 HydrophobicContact CG-CD1 4.12Å; S426-L432 WeakPolarHBondContact OG-CD2 3.39Å; L432-E434 HydrophobicContact CD2-CB 4.43Å; L432-V451 HydrophobicContact CB-CG2 3.68Å; L432-V451 HydrophobicContact CD2-CG2 4.42Å; L432-S456 PolarHBondContact O-N 3.16Å
433	T	45.6	Very low	45.4	Very low	31 Å²	31	42.2 Å²	42.2	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	102.9	168.6	-56.6	0	0	0	0	109.6	S412 S456	S412-T433 WeakPolarHBondContact CB-O 3.47Å; S412-T433 VanDerWaalsContact OG-C 3.29Å; S412-T433 PolarHBondContact OG-N 2.87Å; S412-T433 PolarHBondContact OG-O 3.43Å; T433-S456 WeakPolarHBondContact CA-O 3.18Å
434	E	43.1	Very low	45.2	Very low	17 Å²	17	45.4 Å²	45.4	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.8	-177.5	-164	174.9	143.8	0	0	110.5	L424 S426 L432 T447 T458	L424-E434 HydrophobicContact CD2-CG 4.05Å; L424-E434 WeakPolarHBondContact CD2-OE1 3.49Å; L424-E434 WeakPolarHBondContact CG-OE1 3.48Å; S426-E434 PolarHBondContact OG-OE2 3.48Å; L432-E434 HydrophobicContact CD2-CB 4.43Å; E434-T447 WeakPolarHBondContact OE1-CB 3.27Å; E434-T447 WeakPolarHBondContact OE1-CG2 3.5Å; E434-T458 PolarHBondContact O-N 3.28Å
435	S	43.8	Very low	44.9	Very low	20 Å²	20	45.5 Å²	45.5	14%	0.14	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.2	173.9	-45.9	0	0	0	0	108.9	T415	T415-S435 WeakPolarHBondContact CA-O 2.89Å; T415-S435 WeakPolarHBondContact CB-O 3.36Å; T415-S435 PolarHBondContact N-O 3.46Å
436	V	43.2	Very low	44.9	Very low	15 Å²	15	46.3 Å²	46.3	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	104.3	-175.4	166.2	0	0	0	0	110	T415 L417 L424 T438 T447 P460	T415-V436 WeakPolarHBondContact O-CA 3.22Å; L417-V436 HydrophobicContact CB-CG1 4.28Å; L417-V436 HydrophobicContact CD1-CB 3.94Å; L417-V436 HydrophobicContact CD1-CG1 3.3Å; L417-V436 HydrophobicContact CD1-CG2 3.68Å; L417-V436 HydrophobicContact CG-CG1 4.29Å; L424-V436 HydrophobicContact CD2-CG2 4.12Å; V436-T438 HydrophobicContact CG1-CG2 4.06Å; V436-T447 HydrophobicContact CG2-CG2 4.07Å; V436-P460 WeakPolarHBondContact O-CD 3.39Å; V436-P460 WeakPolarHBondContact O-CG 3.14Å
437	R	42.9	Very low	44.8	Very low	157 Å²	157	46.6 Å²	46.6	59%	0.592	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.9	176.2	-176.9	-178.5	-173.4	179	2.7	111	T415 T416 L417	T415-R437 PolarHBondContact O-N 2.94Å; T415-R437 VanDerWaalsContact O-N 3.09Å; T416-R437 CarbonylContact C-O 3.53Å; T416-R437 HydrophobicContact CG2-CB 4.2Å; T416-R437 HydrophobicContact CG2-CG 4.43Å; L417-R437 CarbonylContact C-O 3.55Å; L417-R437 VanDerWaalsContact C-O 3.31Å; L417-R437 PolarHBondContact N-O 2.9Å
438	T	39.3	Very low	44.7	Very low	22 Å²	22	46 Å²	46	14%	0.135	26%	0.258	C	S	.	.			trans	-116.7	147.7	173.6	82.2	0	0	0	0	112.6	L417 V436 S440 P442 I445 V462	L417-T438 HydrophobicContact CB-CG2 4.24Å; L417-T438 WeakPolarHBondContact O-CA 3.31Å; L417-T438 VanDerWaalsContact O-CB 3.32Å; L417-T438 WeakPolarHBondContact O-CB 2.91Å; L417-T438 VanDerWaalsContact O-CG2 3.32Å; L417-T438 WeakPolarHBondContact O-CG2 3.47Å; V436-T438 HydrophobicContact CG1-CG2 4.06Å; T438-S440 PolarHBondContact OG1-O 3.43Å; T438-P442 HydrophobicContact CG2-CG 3.73Å; T438-I445 HydrophobicContact CG2-CD1 4.23Å; T438-V462 VanDerWaalsContact OG1-CG1 3.29Å; T438-V462 WeakPolarHBondContact OG1-CG1 3.25Å
439	T	39.5	Very low	44.6	Very low	100 Å²	100	45.4 Å²	45.4	61%	0.613	25%	0.254	S	S	*	.	S	Bend	trans	-106.2	-10.6	177.2	48.5	0	0	0	0	114	T418 D419	T418-T439 WeakPolarHBondContact CG2-OG1 3.39Å; D419-T439 PolarHBondContact OD1-OG1 2.96Å
440	S	40	Very low	44.7	Very low	40 Å²	40	45.6 Å²	45.6	28%	0.28	25%	0.252	S	S	.	.	S	Bend	trans	-139.1	174.2	171.3	72.2	0	0	0	0	111.5	D419 T438 P442	D419-S440 VanDerWaalsContact CA-OG 3.23Å; D419-S440 WeakPolarHBondContact CA-OG 3.22Å; D419-S440 VanDerWaalsContact CB-OG 3.24Å; D419-S440 WeakPolarHBondContact CB-OG 3.47Å; D419-S440 WeakPolarHBondContact OD1-CB 3.07Å; D419-S440 PolarHBondContact OD1-N 2.8Å; D419-S440 PolarHBondContact OD1-OG 3.45Å; T438-S440 PolarHBondContact OG1-O 3.43Å; S440-P442 WeakPolarHBondContact O-CD 3.47Å; S440-P442 WeakPolarHBondContact O-CG 3.25Å
441	V	40	Very low	44.9	Very low	64 Å²	64	44.1 Å²	44.1	39%	0.388	24%	0.242	S	C	.	.			trans	-68.9	100.6	-168.1	-167.7	0	0	0	0	111.7	N420 T464	N420-V441 PolarHBondContact OD1-O 2.91Å; V441-T464 WeakPolarHBondContact CA-O 3.46Å; V441-T464 WeakPolarHBondContact CG1-O 3.24Å; V441-T464 WeakPolarHBondContact CG2-OG1 3.07Å
442	P	40.7	Very low	45.1	Very low	1 Å²	1	40.8 Å²	40.8	1%	0.006	24%	0.235	C	C	.	.			trans	-76.5	147.2	173.7	-5.1	26.5	0	0	0	109.7	T438 S440 I445 T465	T438-P442 HydrophobicContact CG2-CG 3.73Å; S440-P442 WeakPolarHBondContact O-CD 3.47Å; S440-P442 WeakPolarHBondContact O-CG 3.25Å; P442-I445 HydrophobicContact CB-CD1 3.47Å; P442-I445 VanDerWaalsContact CB-CD1 3.47Å; P442-I445 HydrophobicContact CB-CG1 3.69Å; P442-I445 HydrophobicContact CG-CD1 3.55Å; P442-I445 HydrophobicContact CG-CG1 4.34Å; P442-T465 HydrophobicContact CB-CG2 4.45Å; P442-T465 HydrophobicContact CG-CG2 3.97Å
443	T	43.5	Very low	45.1	Very low	70 Å²	70	43.1 Å²	43.1	43%	0.429	25%	0.249	S	C	.	.	S	Bend	trans	-104.6	127.8	166.4	26.7	0	0	0	0	108.6	T466	T443-T466 WeakPolarHBondContact CA-OG1 3.26Å; T443-T466 HydrophobicContact CG2-CG2 4.22Å; T443-T466 VanDerWaalsContact CG2-OG1 3.25Å; T443-T466 WeakPolarHBondContact CG2-OG1 3.3Å
444	N	44.3	Very low	45	Very low	97 Å²	97	45.6 Å²	45.6	52%	0.519	26%	0.261	S	S	.	.			trans	51.3	70.3	174.4	-56.1	-21.2	0	0	0	114.9	T422 T446	T422-N444 CarbonylContact C-O 3.35Å; T422-N444 WeakPolarHBondContact CA-O 3.45Å; N444-T446 PolarHBondContact O-N 2.95Å
445	I	41.3	Very low	45.1	Very low	7 Å²	7	45 Å²	45	4%	0.036	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.8	169.1	-65.5	164.6	0	0	0	108.7	Q421 T438 P442 T447 T465 S467 F468 D469	Q421-I445 WeakPolarHBondContact O-CG1 3.39Å; T438-I445 HydrophobicContact CG2-CD1 4.23Å; P442-I445 HydrophobicContact CB-CD1 3.47Å; P442-I445 VanDerWaalsContact CB-CD1 3.47Å; P442-I445 HydrophobicContact CB-CG1 3.69Å; P442-I445 HydrophobicContact CG-CD1 3.55Å; P442-I445 HydrophobicContact CG-CG1 4.34Å; I445-T447 HydrophobicContact CG2-CG2 3.95Å; I445-T465 HydrophobicContact CD1-CG2 4.41Å; I445-S467 PolarHBondContact N-O 3.29Å; I445-F468 HydrophobicContact CB-CD2 3.72Å; I445-F468 HydrophobicContact CB-CE2 4.07Å; I445-F468 HydrophobicContact CD1-CD2 4.3Å; I445-F468 HydrophobicContact CG2-CD2 3.81Å; I445-F468 HydrophobicContact CG2-CE2 3.61Å; I445-D469 PolarHBondContact O-N 3.34Å
446	T	48.7	Very low	45	Very low	55 Å²	55	45.3 Å²	45.3	34%	0.337	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.9	166.3	-52.1	0	0	0	0	109.5	T422 S423 L424 N444 D469	T422-T446 PolarHBondContact O-N 2.89Å; S423-T446 CarbonylContact C-O 3.55Å; S423-T446 VanDerWaalsContact CA-O 3.25Å; S423-T446 WeakPolarHBondContact CA-O 3.2Å; S423-T446 PolarHBondContact OG-O 3.19Å; L424-T446 PolarHBondContact N-O 2.82Å; N444-T446 PolarHBondContact O-N 2.95Å; T446-D469 CarbonylContact C-O 3.38Å; T446-D469 VanDerWaalsContact CA-O 3.31Å; T446-D469 WeakPolarHBondContact CA-O 3.23Å
447	T	48.3	Very low	44.9	Very low	8 Å²	8	45 Å²	45	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.8	167.3	57.2	0	0	0	0	109.7	L424 E434 V436 I445 F468 D469 T470 S471	L424-T447 HydrophobicContact CB-CG2 4.38Å; L424-T447 WeakPolarHBondContact O-CA 3.5Å; E434-T447 WeakPolarHBondContact OE1-CB 3.27Å; E434-T447 WeakPolarHBondContact OE1-CG2 3.5Å; V436-T447 HydrophobicContact CG2-CG2 4.07Å; I445-T447 HydrophobicContact CG2-CG2 3.95Å; T447-F468 HydrophobicContact CG2-CE2 4.41Å; T447-F468 HydrophobicContact CG2-CZ 4.38Å; T447-D469 PolarHBondContact N-O 3.07Å; T447-T470 WeakPolarHBondContact O-CA 3.49Å; T447-T470 WeakPolarHBondContact OG1-CB 3.33Å; T447-T470 WeakPolarHBondContact OG1-CG2 3.23Å; T447-T470 PolarHBondContact OG1-OG1 3.49Å; T447-S471 PolarHBondContact O-N 2.99Å
448	S	50.6	Low	44.6	Very low	29 Å²	29	40.8 Å²	40.8	20%	0.203	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.1	175.4	68.7	0	0	0	0	111	L424 T425 S426 S471	L424-S448 PolarHBondContact O-N 3.45Å; T425-S448 WeakPolarHBondContact CA-O 3.28Å; T425-S448 WeakPolarHBondContact CG2-OG 3.41Å; T425-S448 PolarHBondContact OG1-OG 2.99Å; S426-S448 PolarHBondContact N-O 3.39Å; S426-S448 PolarHBondContact OG-O 3.42Å; S448-S471 WeakPolarHBondContact CA-O 3.41Å; S448-S471 VanDerWaalsContact CB-OG 3.27Å; S448-S471 WeakPolarHBondContact CB-OG 3.45Å
449	S	52.1	Low	44.7	Very low	3 Å²	3	40.5 Å²	40.5	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.5	177.8	73	0	0	0	0	111.8	S426 S471 Q472 T473	S426-S449 VanDerWaalsContact O-CA 3.29Å; S426-S449 WeakPolarHBondContact O-CA 3.39Å; S426-S449 WeakPolarHBondContact OG-CB 3.29Å; S449-S471 PolarHBondContact N-O 3.08Å; S449-Q472 WeakPolarHBondContact O-CA 3.33Å; S449-Q472 VanDerWaalsContact OG-CG 3.25Å; S449-Q472 WeakPolarHBondContact OG-CG 3.47Å; S449-Q472 PolarHBondContact OG-NE2 3.38Å; S449-T473 PolarHBondContact O-N 2.87Å
450	T	50.6	Low	44.4	Very low	69 Å²	69	37.4 Å²	37.4	42%	0.423	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.9	168.7	49.9	0	0	0	0	109.9	S426 T427 S428 T473	S426-T450 PolarHBondContact O-N 3.21Å; T427-T450 WeakPolarHBondContact CA-O 3.43Å; T427-T450 WeakPolarHBondContact CG2-OG1 3.18Å; S428-T450 PolarHBondContact N-O 3.18Å; T450-T473 WeakPolarHBondContact CA-O 3.3Å
451	V	53.9	Low	44.2	Very low	7 Å²	7	42 Å²	42	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.4	-177.4	-171.7	0	0	0	0	111.4	S428 L432 T453 T455 T473 S474 S475	S428-V451 WeakPolarHBondContact O-CA 3.33Å; S428-V451 WeakPolarHBondContact OG-CG1 3.37Å; L432-V451 HydrophobicContact CB-CG2 3.68Å; L432-V451 HydrophobicContact CD2-CG2 4.42Å; V451-T453 WeakPolarHBondContact CG1-O 3.19Å; V451-T455 WeakPolarHBondContact CB-OG1 3.35Å; V451-T455 HydrophobicContact CG2-CG2 4.1Å; V451-T455 WeakPolarHBondContact CG2-OG1 3.43Å; V451-T473 PolarHBondContact N-O 3.15Å; V451-S474 WeakPolarHBondContact O-CA 3.28Å; V451-S475 PolarHBondContact O-N 3.43Å
452	A	50.6	Low	44	Very low	39 Å²	39	39.7 Å²	39.7	32%	0.322	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-36.7	176	0	0	0	0	0	113.3	S428 S429 S475 T476	S428-A452 PolarHBondContact O-N 3.02Å; S429-A452 WeakPolarHBondContact O-CB 3.42Å; A452-S475 VanDerWaalsContact CA-OG 3.26Å; A452-S475 WeakPolarHBondContact CA-OG 3.26Å; A452-S475 PolarHBondContact O-OG 3.32Å; A452-T476 PolarHBondContact O-N 3.17Å; A452-T476 PolarHBondContact O-OG1 3.4Å
453	T	46.1	Very low	44	Very low	55 Å²	55	46.2 Å²	46.2	34%	0.337	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.1	177	47.2	0	0	0	0	112.6	S430 V451 T476	S430-T453 CarbonylContact C-O 3.57Å; S430-T453 WeakPolarHBondContact CA-OG1 3.41Å; S430-T453 PolarHBondContact O-OG1 2.91Å; V451-T453 WeakPolarHBondContact CG1-O 3.19Å; T453-T476 VanDerWaalsContact CA-O 3.22Å; T453-T476 WeakPolarHBondContact CA-O 3.45Å; T453-T476 WeakPolarHBondContact CG2-OG1 3.44Å
454	N	42.8	Very low	43.8	Very low	82 Å²	82	44.9 Å²	44.9	44%	0.439	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.7	119.4	170.9	-65.4	-38.8	0	0	0	117.9	T476 G477 Q478	N454-T476 PolarHBondContact N-O 2.93Å; N454-T476 VanDerWaalsContact N-O 3.14Å; N454-G477 WeakPolarHBondContact OD1-CA 3.33Å; N454-Q478 WeakPolarHBondContact CA-O 3.18Å; N454-Q478 PolarHBondContact OD1-N 3.38Å
455	T	44.8	Very low	43.4	Very low	4 Å²	4	40.6 Å²	40.6	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.2	175.7	-46.7	0	0	0	0	111.6	V451 Q472 Q478 T479 Q480	V451-T455 WeakPolarHBondContact CB-OG1 3.35Å; V451-T455 HydrophobicContact CG2-CG2 4.1Å; V451-T455 WeakPolarHBondContact CG2-OG1 3.43Å; T455-Q472 VanDerWaalsContact CG2-OE1 3.23Å; T455-Q478 PolarHBondContact N-O 3.35Å; T455-T479 WeakPolarHBondContact O-CA 3.25Å; T455-Q480 PolarHBondContact O-N 2.66Å; T455-Q480 VanDerWaalsContact O-N 3.08Å
456	S	41	Very low	43.5	Very low	27 Å²	27	43.5 Å²	43.5	19%	0.189	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.4	169	61.7	0	0	0	0	110.2	L432 T433 Q480	L432-S456 PolarHBondContact O-N 3.16Å; T433-S456 WeakPolarHBondContact CA-O 3.18Å; S456-Q480 WeakPolarHBondContact CA-O 3.37Å
457	A	41.1	Very low	43.2	Very low	10 Å²	10	42.4 Å²	42.4	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.3	171.9	0	0	0	0	0	110.5	Q480 F482	A457-Q480 PolarHBondContact N-O 3.33Å; A457-F482 PolarHBondContact O-N 3.33Å; A457-F482 VanDerWaalsContact O-N 3.15Å
458	T	37.8	Very low	43.1	Very low	67 Å²	67	42.8 Å²	42.8	41%	0.411	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110.7	172.1	-56.5	0	0	0	0	107.8	E434 P460	E434-T458 PolarHBondContact O-N 3.28Å; T458-P460 VanDerWaalsContact O-CD 3.23Å; T458-P460 WeakPolarHBondContact O-CD 3.09Å
459	V	41.2	Very low	42.9	Very low	17 Å²	17	44.4 Å²	44.4	10%	0.103	26%	0.259	C	S	.	.			trans	-81.7	113.2	175.3	-177	0	0	0	0	108.7	F468 F482 T483 T484	V459-F468 HydrophobicContact CG1-CE1 4.48Å; V459-F468 HydrophobicContact CG1-CZ 4.38Å; V459-F468 HydrophobicContact CG2-CE1 4.1Å; V459-F468 HydrophobicContact CG2-CZ 4.19Å; V459-F482 WeakPolarHBondContact CA-O 3.23Å; V459-F482 VanDerWaalsContact CB-O 3.22Å; V459-F482 WeakPolarHBondContact CB-O 3.04Å; V459-F482 WeakPolarHBondContact CG2-O 3.29Å; V459-F482 PolarHBondContact N-O 3.19Å; V459-T483 HydrophobicContact CB-CG2 3.91Å; V459-T483 HydrophobicContact CG1-CG2 4.4Å; V459-T483 HydrophobicContact CG2-CG2 3.64Å; V459-T484 PolarHBondContact O-OG1 2.8Å
460	P	33.3	Very low	42.8	Very low	34 Å²	34	44.5 Å²	44.5	22%	0.221	26%	0.26	C	S	.	.			trans	-71.1	157.1	175.6	-17.6	34.9	0	0	0	112.3	V436 T458 V462	V436-P460 WeakPolarHBondContact O-CD 3.39Å; V436-P460 WeakPolarHBondContact O-CG 3.14Å; T458-P460 VanDerWaalsContact O-CD 3.23Å; T458-P460 WeakPolarHBondContact O-CD 3.09Å; P460-V462 WeakPolarHBondContact O-CG2 3.38Å; P460-V462 PolarHBondContact O-N 2.94Å; P460-V462 VanDerWaalsContact O-N 3.12Å
461	Q	34.8	Very low	42.9	Very low	138 Å²	138	43.3 Å²	43.3	65%	0.645	25%	0.254	S	S	*	.			trans	-53.5	110.8	175.6	-166	-166.7	-19.1	0	0	111	T484	Q461-T484 PolarHBondContact N-OG1 2.72Å
462	V	37	Very low	42.9	Very low	15 Å²	15	43.1 Å²	43.1	9%	0.091	25%	0.253	C	S	.	.			trans	-98.1	131.5	171.4	-143.1	0	0	0	0	107.4	T438 P460 T464 T465 D485	T438-V462 VanDerWaalsContact OG1-CG1 3.29Å; T438-V462 WeakPolarHBondContact OG1-CG1 3.25Å; P460-V462 WeakPolarHBondContact O-CG2 3.38Å; P460-V462 PolarHBondContact O-N 2.94Å; P460-V462 VanDerWaalsContact O-N 3.12Å; V462-T464 VanDerWaalsContact C-N 3.27Å; V462-T464 PolarHBondContact O-N 3.44Å; V462-T465 HydrophobicContact CB-CG2 4.22Å; V462-T465 HydrophobicContact CG1-CG2 3.7Å; V462-T465 HydrophobicContact CG2-CG2 4.35Å; V462-D485 WeakPolarHBondContact CB-OD2 3.37Å; V462-D485 HydrophobicContact CG2-CB 4.18Å; V462-D485 WeakPolarHBondContact CG2-OD2 3.36Å
463	N	40.1	Very low	43	Very low	138 Å²	138	44.2 Å²	44.2	74%	0.738	26%	0.255	S	S	*	.	S	Bend	trans	-75.8	-20	179.3	-88.6	-0.6	0	0	0	112.3
464	T	38.6	Very low	43.3	Very low	41 Å²	41	41.6 Å²	41.6	25%	0.252	24%	0.239	S	C	.	.			trans	-171.2	123.9	175	42.3	0	0	0	0	110.4	V441 V462	V441-T464 WeakPolarHBondContact CA-O 3.46Å; V441-T464 WeakPolarHBondContact CG1-O 3.24Å; V441-T464 WeakPolarHBondContact CG2-OG1 3.07Å; V462-T464 VanDerWaalsContact C-N 3.27Å; V462-T464 PolarHBondContact O-N 3.44Å
465	T	36.9	Very low	43.7	Very low	7 Å²	7	40.7 Å²	40.7	4%	0.043	24%	0.239	C	C	.	.			trans	-125.4	158.3	164.9	32.4	0	0	0	0	109.2	P442 I445 V462 D485 T487	P442-T465 HydrophobicContact CB-CG2 4.45Å; P442-T465 HydrophobicContact CG-CG2 3.97Å; I445-T465 HydrophobicContact CD1-CG2 4.41Å; V462-T465 HydrophobicContact CB-CG2 4.22Å; V462-T465 HydrophobicContact CG1-CG2 3.7Å; V462-T465 HydrophobicContact CG2-CG2 4.35Å; T465-D485 PolarHBondContact OG1-OD2 2.88Å; T465-D485 VanDerWaalsContact OG1-OD2 3.07Å; T465-T487 WeakPolarHBondContact O-CG2 2.98Å; T465-T487 WeakPolarHBondContact OG1-CB 3.14Å; T465-T487 WeakPolarHBondContact OG1-CG2 3.44Å; T465-T487 PolarHBondContact OG1-OG1 3.17Å
466	T	42.9	Very low	43.7	Very low	68 Å²	68	43.3 Å²	43.3	42%	0.417	26%	0.256	S	S	.	.	S	Bend	trans	-97.7	-27.5	176.4	44.2	0	0	0	0	113.4	T443	T443-T466 WeakPolarHBondContact CA-OG1 3.26Å; T443-T466 HydrophobicContact CG2-CG2 4.22Å; T443-T466 VanDerWaalsContact CG2-OG1 3.25Å; T443-T466 WeakPolarHBondContact CG2-OG1 3.3Å
467	S	43.4	Very low	43.8	Very low	33 Å²	33	42.5 Å²	42.5	23%	0.231	25%	0.251	C	S	.	.			trans	-167.9	143.4	172.8	169.4	0	0	0	0	108.4	I445	I445-S467 PolarHBondContact N-O 3.29Å
468	F	45.8	Very low	44	Very low	15 Å²	15	44.7 Å²	44.7	7%	0.066	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.9	177.6	-178.7	-93.9	0	0	0	108.7	I445 T447 V459 T470 A489 T490 F491	I445-F468 HydrophobicContact CB-CD2 3.72Å; I445-F468 HydrophobicContact CB-CE2 4.07Å; I445-F468 HydrophobicContact CD1-CD2 4.3Å; I445-F468 HydrophobicContact CG2-CD2 3.81Å; I445-F468 HydrophobicContact CG2-CE2 3.61Å; T447-F468 HydrophobicContact CG2-CE2 4.41Å; T447-F468 HydrophobicContact CG2-CZ 4.38Å; V459-F468 HydrophobicContact CG1-CE1 4.48Å; V459-F468 HydrophobicContact CG1-CZ 4.38Å; V459-F468 HydrophobicContact CG2-CE1 4.1Å; V459-F468 HydrophobicContact CG2-CZ 4.19Å; F468-T470 WeakPolarHBondContact CE1-OG1 3.31Å; F468-T470 VanDerWaalsContact CZ-OG1 3.24Å; F468-T470 WeakPolarHBondContact CZ-OG1 3.5Å; F468-A489 HydrophobicContact CB-CB 4.1Å; F468-A489 HydrophobicContact CD1-CB 4.16Å; F468-A489 VanDerWaalsContact O-CA 3.27Å; F468-A489 WeakPolarHBondContact O-CA 3.42Å; F468-A489 WeakPolarHBondContact O-CB 3.47Å; F468-T490 PolarHBondContact O-N 3.05Å; F468-F491 HydrophobicContact CD1-CE1 4.24Å; F468-F491 HydrophobicContact CD1-CZ 4.39Å; F468-F491 HydrophobicContact CE1-CE1 4.04Å
469	D	46.6	Very low	44.1	Very low	64 Å²	64	42.3 Å²	42.3	34%	0.342	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121	177.3	-72.6	-27.6	0	0	0	109.6	I445 T446 T447 T490	I445-D469 PolarHBondContact O-N 3.34Å; T446-D469 CarbonylContact C-O 3.38Å; T446-D469 VanDerWaalsContact CA-O 3.31Å; T446-D469 WeakPolarHBondContact CA-O 3.23Å; T447-D469 PolarHBondContact N-O 3.07Å; D469-T490 WeakPolarHBondContact CA-O 3.44Å; D469-T490 WeakPolarHBondContact OD1-CB 3.27Å; D469-T490 PolarHBondContact OD1-OG1 3.03Å
470	T	49.2	Very low	44.2	Very low	5 Å²	5	44.5 Å²	44.5	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.2	172	-66.3	0	0	0	0	110	T447 F468 Q472 T490 T492	T447-T470 WeakPolarHBondContact O-CA 3.49Å; T447-T470 WeakPolarHBondContact OG1-CB 3.33Å; T447-T470 WeakPolarHBondContact OG1-CG2 3.23Å; T447-T470 PolarHBondContact OG1-OG1 3.49Å; F468-T470 WeakPolarHBondContact CE1-OG1 3.31Å; F468-T470 VanDerWaalsContact CZ-OG1 3.24Å; F468-T470 WeakPolarHBondContact CZ-OG1 3.5Å; T470-Q472 HydrophobicContact CG2-CG 4.04Å; T470-T490 PolarHBondContact N-O 2.74Å; T470-T490 VanDerWaalsContact N-O 3.16Å; T470-T492 PolarHBondContact O-N 3.43Å
471	S	52.8	Low	44.5	Very low	44 Å²	44	43.3 Å²	43.3	31%	0.308	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.1	171.6	60.8	0	0	0	0	111.2	T447 S448 S449 T492	T447-S471 PolarHBondContact O-N 2.99Å; S448-S471 WeakPolarHBondContact CA-O 3.41Å; S448-S471 VanDerWaalsContact CB-OG 3.27Å; S448-S471 WeakPolarHBondContact CB-OG 3.45Å; S449-S471 PolarHBondContact N-O 3.08Å; S471-T492 WeakPolarHBondContact CA-O 3.31Å
472	Q	53.6	Low	44.7	Very low	3 Å²	3	40.8 Å²	40.8	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.1	175.3	-58.1	-155.2	-20.1	0	0	111.8	S449 T455 T470 T479 T492 T494	S449-Q472 WeakPolarHBondContact O-CA 3.33Å; S449-Q472 VanDerWaalsContact OG-CG 3.25Å; S449-Q472 WeakPolarHBondContact OG-CG 3.47Å; S449-Q472 PolarHBondContact OG-NE2 3.38Å; T455-Q472 VanDerWaalsContact CG2-OE1 3.23Å; T470-Q472 HydrophobicContact CG2-CG 4.04Å; Q472-T479 HydrophobicContact CB-CG2 4.38Å; Q472-T479 VanDerWaalsContact OE1-CG2 3.27Å; Q472-T492 PolarHBondContact N-O 2.91Å; Q472-T494 PolarHBondContact O-N 2.94Å
473	T	53.6	Low	44.8	Very low	61 Å²	61	40.7 Å²	40.7	37%	0.374	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.4	172.2	-50.3	0	0	0	0	109.3	S449 T450 V451	S449-T473 PolarHBondContact O-N 2.87Å; T450-T473 WeakPolarHBondContact CA-O 3.3Å; V451-T473 PolarHBondContact N-O 3.15Å
474	S	52.6	Low	44.6	Very low	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.4	169.5	66.4	0	0	0	0	110.2	V451 G477 T494 S496	V451-S474 WeakPolarHBondContact O-CA 3.28Å; S474-G477 PolarHBondContact OG-O 3.31Å; S474-T494 PolarHBondContact N-O 3.08Å; S474-S496 WeakPolarHBondContact O-CB 3.35Å; S474-S496 PolarHBondContact O-N 2.97Å; S474-S496 PolarHBondContact O-OG 3.02Å
475	S	51.4	Low	44.4	Very low	63 Å²	63	37.2 Å²	37.2	44%	0.441	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-27	173.5	63.3	0	0	0	0	112.1	V451 A452 S496	V451-S475 PolarHBondContact O-N 3.43Å; A452-S475 VanDerWaalsContact CA-OG 3.26Å; A452-S475 WeakPolarHBondContact CA-OG 3.26Å; A452-S475 PolarHBondContact O-OG 3.32Å; S475-S496 WeakPolarHBondContact O-CB 3.28Å
476	T	43.7	Very low	44.6	Very low	60 Å²	60	45.7 Å²	45.7	37%	0.368	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.2	167.5	55.4	0	0	0	0	111.5	A452 T453 N454	A452-T476 PolarHBondContact O-N 3.17Å; A452-T476 PolarHBondContact O-OG1 3.4Å; T453-T476 VanDerWaalsContact CA-O 3.22Å; T453-T476 WeakPolarHBondContact CA-O 3.45Å; T453-T476 WeakPolarHBondContact CG2-OG1 3.44Å; N454-T476 PolarHBondContact N-O 2.93Å; N454-T476 VanDerWaalsContact N-O 3.14Å
477	G	43.7	Very low	44.6	Very low	10 Å²	10	43.4 Å²	43.4	10%	0.103	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.4	-172.1	171.1	0	0	0	0	0	117.1	N454 S474 T497	N454-G477 WeakPolarHBondContact OD1-CA 3.33Å; S474-G477 PolarHBondContact OG-O 3.31Å; G477-T497 PolarHBondContact N-O 2.87Å
478	Q	44.5	Very low	44.5	Very low	56 Å²	56	45.1 Å²	45.1	26%	0.262	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.2	-162.1	-161.5	175.4	96.4	0	0	113.1	N454 T455 T501	N454-Q478 WeakPolarHBondContact CA-O 3.18Å; N454-Q478 PolarHBondContact OD1-N 3.38Å; T455-Q478 PolarHBondContact N-O 3.35Å; Q478-T501 PolarHBondContact NE2-OG1 3.21Å; Q478-T501 PolarHBondContact OE1-OG1 3.15Å
479	T	40.7	Very low	44.4	Very low	16 Å²	16	44.7 Å²	44.7	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.6	172.8	-61.8	0	0	0	0	109.6	T455 Q472 I481	T455-T479 WeakPolarHBondContact O-CA 3.25Å; Q472-T479 HydrophobicContact CB-CG2 4.38Å; Q472-T479 VanDerWaalsContact OE1-CG2 3.27Å; T479-I481 HydrophobicContact CG2-CG1 4.31Å
480	Q	42.5	Very low	44.3	Very low	63 Å²	63	44 Å²	44	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.5	173.4	-67.2	-174.9	95	0	0	110.6	T455 S456 A457 F482	T455-Q480 PolarHBondContact O-N 2.66Å; T455-Q480 VanDerWaalsContact O-N 3.08Å; S456-Q480 WeakPolarHBondContact CA-O 3.37Å; A457-Q480 PolarHBondContact N-O 3.33Å; Q480-F482 HydrophobicContact CB-CE2 4.09Å
481	I	40.5	Very low	44.2	Very low	10 Å²	10	44 Å²	44	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.6	176.9	-54.8	174.1	0	0	0	107.6	T479 T483 F491 T503	T479-I481 HydrophobicContact CG2-CG1 4.31Å; I481-T483 HydrophobicContact CG2-CG2 3.99Å; I481-F491 HydrophobicContact CD1-CB 4.27Å; I481-F491 HydrophobicContact CD1-CD1 3.99Å; I481-F491 HydrophobicContact CD1-CG 4.39Å; I481-F491 HydrophobicContact CG2-CD1 3.87Å; I481-F491 HydrophobicContact CG2-CE1 3.77Å; I481-T503 HydrophobicContact CB-CG2 4.45Å
482	F	38.2	Very low	43.9	Very low	85 Å²	85	44.6 Å²	44.6	37%	0.373	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.1	171.9	-64.7	-82.7	0	0	0	109.5	A457 V459 Q480	A457-F482 PolarHBondContact O-N 3.33Å; A457-F482 VanDerWaalsContact O-N 3.15Å; V459-F482 WeakPolarHBondContact CA-O 3.23Å; V459-F482 VanDerWaalsContact CB-O 3.22Å; V459-F482 WeakPolarHBondContact CB-O 3.04Å; V459-F482 WeakPolarHBondContact CG2-O 3.29Å; V459-F482 PolarHBondContact N-O 3.19Å; Q480-F482 HydrophobicContact CB-CE2 4.09Å
483	T	39.6	Very low	43.6	Very low	12 Å²	12	45 Å²	45	7%	0.074	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-122.8	140.4	173.8	69.6	0	0	0	0	112.3	V459 I481 F491 Q509	V459-T483 HydrophobicContact CB-CG2 3.91Å; V459-T483 HydrophobicContact CG1-CG2 4.4Å; V459-T483 HydrophobicContact CG2-CG2 3.64Å; I481-T483 HydrophobicContact CG2-CG2 3.99Å; T483-F491 HydrophobicContact CG2-CE1 3.8Å; T483-F491 HydrophobicContact CG2-CE2 4.24Å; T483-F491 HydrophobicContact CG2-CZ 3.36Å; T483-Q509 PolarHBondContact OG1-NE2 2.89Å
484	T	35.8	Very low	43.6	Very low	86 Å²	86	44.7 Å²	44.7	53%	0.528	24%	0.244	S	C	.	.			trans	-123.7	7.7	179.7	52.2	0	0	0	0	113.4	V459 Q461	V459-T484 PolarHBondContact O-OG1 2.8Å; Q461-T484 PolarHBondContact N-OG1 2.72Å
485	D	35.2	Very low	43.5	Very low	20 Å²	20	45.5 Å²	45.5	11%	0.107	25%	0.249	C	C	.	.			trans	-98.6	152	-177.3	-168.8	12.7	0	0	0	112.5	V462 T465 T487	V462-D485 WeakPolarHBondContact CB-OD2 3.37Å; V462-D485 HydrophobicContact CG2-CB 4.18Å; V462-D485 WeakPolarHBondContact CG2-OD2 3.36Å; T465-D485 PolarHBondContact OG1-OD2 2.88Å; T465-D485 VanDerWaalsContact OG1-OD2 3.07Å; D485-T487 VanDerWaalsContact CG-OG1 3.32Å; D485-T487 PolarHBondContact OD2-OG1 3.38Å
486	R	41.3	Very low	43.2	Very low	185 Å²	185	45.2 Å²	45.2	70%	0.698	25%	0.247	S	C	*	.			trans	-90.2	14	-179.1	-64	-174.5	173.4	120.1	-0.5	113.8
487	T	41.5	Very low	43	Very low	21 Å²	21	45.7 Å²	45.7	13%	0.129	25%	0.25	C	C	.	.	S	Bend	trans	-105.1	146.2	-175	56.7	0	0	0	0	112.7	T465 D485 A489	T465-T487 WeakPolarHBondContact O-CG2 2.98Å; T465-T487 WeakPolarHBondContact OG1-CB 3.14Å; T465-T487 WeakPolarHBondContact OG1-CG2 3.44Å; T465-T487 PolarHBondContact OG1-OG1 3.17Å; D485-T487 VanDerWaalsContact CG-OG1 3.32Å; D485-T487 PolarHBondContact OD2-OG1 3.38Å; T487-A489 PolarHBondContact O-N 3.31Å
488	P	41	Very low	42.6	Very low	68 Å²	68	48.3 Å²	48.3	44%	0.442	27%	0.267	S	S	.	.			trans	-58.7	122.8	174.4	-25.8	36.3	0	0	0	112	T510	P488-T510 HydrophobicContact CB-CG2 4.15Å; P488-T510 WeakPolarHBondContact CB-OG1 3.03Å; P488-T510 HydrophobicContact CG-CG2 4.46Å
489	A	44.1	Very low	42.2	Very low	7 Å²	7	50.2 Å²	50.2	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.6	177.5	0	0	0	0	0	110.9	F468 T487 F491	F468-A489 HydrophobicContact CB-CB 4.1Å; F468-A489 HydrophobicContact CD1-CB 4.16Å; F468-A489 VanDerWaalsContact O-CA 3.27Å; F468-A489 WeakPolarHBondContact O-CA 3.42Å; F468-A489 WeakPolarHBondContact O-CB 3.47Å; T487-A489 PolarHBondContact O-N 3.31Å; A489-F491 HydrophobicContact CB-CD2 4.46Å; A489-F491 HydrophobicContact CB-CE2 3.57Å; A489-F491 HydrophobicContact CB-CZ 3.62Å
490	T	44.9	Very low	41.9	Very low	50 Å²	50	50.6 Å²	50.6	31%	0.307	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.7	172	-34.2	0	0	0	0	109.4	F468 D469 T470	F468-T490 PolarHBondContact O-N 3.05Å; D469-T490 WeakPolarHBondContact CA-O 3.44Å; D469-T490 WeakPolarHBondContact OD1-CB 3.27Å; D469-T490 PolarHBondContact OD1-OG1 3.03Å; T470-T490 PolarHBondContact N-O 2.74Å; T470-T490 VanDerWaalsContact N-O 3.16Å
491	F	46.4	Very low	41.5	Very low	3 Å²	3	50.5 Å²	50.5	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.4	176.6	-60.9	-80.9	0	0	0	109.9	F468 I481 T483 A489 L512 T513	F468-F491 HydrophobicContact CD1-CE1 4.24Å; F468-F491 HydrophobicContact CD1-CZ 4.39Å; F468-F491 HydrophobicContact CE1-CE1 4.04Å; I481-F491 HydrophobicContact CD1-CB 4.27Å; I481-F491 HydrophobicContact CD1-CD1 3.99Å; I481-F491 HydrophobicContact CD1-CG 4.39Å; I481-F491 HydrophobicContact CG2-CD1 3.87Å; I481-F491 HydrophobicContact CG2-CE1 3.77Å; T483-F491 HydrophobicContact CG2-CE1 3.8Å; T483-F491 HydrophobicContact CG2-CE2 4.24Å; T483-F491 HydrophobicContact CG2-CZ 3.36Å; A489-F491 HydrophobicContact CB-CD2 4.46Å; A489-F491 HydrophobicContact CB-CE2 3.57Å; A489-F491 HydrophobicContact CB-CZ 3.62Å; F491-L512 HydrophobicContact CB-CD1 3.54Å; F491-L512 HydrophobicContact CG-CD1 4.43Å; F491-T513 PolarHBondContact O-N 2.87Å; F491-T513 VanDerWaalsContact O-O 3.06Å
492	T	47.9	Very low	41.1	Very low	57 Å²	57	52.6 Å²	52.6	35%	0.35	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.3	172	-55.4	0	0	0	0	109.9	T470 S471 Q472 T513	T470-T492 PolarHBondContact O-N 3.43Å; S471-T492 WeakPolarHBondContact CA-O 3.31Å; Q472-T492 PolarHBondContact N-O 2.91Å; T492-T513 WeakPolarHBondContact CA-O 3.05Å
493	S	47.4	Very low	41.2	Very low	13 Å²	13	49.9 Å²	49.9	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.8	174.2	61.1	0	0	0	0	111.4	T513 S514 T515	S493-T513 PolarHBondContact N-O 3.49Å; S493-S514 PolarHBondContact OG-OG 2.86Å; S493-T515 PolarHBondContact O-N 3.12Å; S493-T515 PolarHBondContact O-OG1 3.28Å
494	T	52.9	Low	41	Very low	54 Å²	54	52 Å²	52	33%	0.331	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	80.5	176.1	-35.8	0	0	0	0	110.9	Q472 S474 T515	Q472-T494 PolarHBondContact O-N 2.94Å; S474-T494 PolarHBondContact N-O 3.08Å; T494-T515 WeakPolarHBondContact CA-O 3.4Å
495	P	49.4	Very low	41.2	Very low	17 Å²	17	48.6 Å²	48.6	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.4	172.7	29.3	-32.1	0	0	0	110.9	T515	P495-T515 WeakPolarHBondContact CD-O 3.49Å
496	S	46.9	Very low	41.2	Very low	56 Å²	56	50 Å²	50	39%	0.392	30%	0.295	S	S	.	.	S	Bend	trans	-77.5	-34.1	-178.8	-54.3	0	0	0	0	112.8	S474 S475 S517	S474-S496 WeakPolarHBondContact O-CB 3.35Å; S474-S496 PolarHBondContact O-N 2.97Å; S474-S496 PolarHBondContact O-OG 3.02Å; S475-S496 WeakPolarHBondContact O-CB 3.28Å; S496-S517 PolarHBondContact O-OG 3.34Å
497	T	39.5	Very low	41.1	Very low	71 Å²	71	42.5 Å²	42.5	44%	0.436	27%	0.268	S	S	.	.	S	Bend	trans	-158.5	135.5	177.2	54.4	0	0	0	0	113.7	G477	G477-T497 PolarHBondContact N-O 2.87Å
498	S	34.3	Very low	41	Very low	65 Å²	65	44.9 Å²	44.9	46%	0.455	28%	0.28	S	S	.	.	S	Bend	trans	89.2	145.5	164.8	86.3	0	0	0	0	120
499	T	35.8	Very low	41.1	Very low	95 Å²	95	42.3 Å²	42.3	58%	0.583	26%	0.263	S	S	*	.			trans	-18.6	114.8	-175.8	53.3	0	0	0	0	118.7
500	S	35.6	Very low	41.1	Very low	24 Å²	24	44.3 Å²	44.3	17%	0.168	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-85.8	131.6	165.6	68.2	0	0	0	0	111.5	L520 T521	S500-L520 WeakPolarHBondContact OG-CD2 3.41Å; S500-T521 PolarHBondContact OG-N 3.45Å; S500-T521 PolarHBondContact OG-O 2.51Å
501	T	32.4	Very low	41.1	Very low	62 Å²	62	43.4 Å²	43.4	38%	0.38	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-95.3	156.8	163.1	21.6	0	0	0	0	110.2	Q478	Q478-T501 PolarHBondContact NE2-OG1 3.21Å; Q478-T501 PolarHBondContact OE1-OG1 3.15Å
502	P	33.4	Very low	40.9	Very low	54 Å²	54	43.5 Å²	43.5	35%	0.351	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-64	135.6	-153.6	20.4	-33.1	0	0	0	116	T504	P502-T504 PolarHBondContact O-N 2.99Å
503	T	39	Very low	40.8	Very low	27 Å²	27	42.8 Å²	42.8	17%	0.166	27%	0.266	C	S	.	.			trans	-75	107.8	168.9	-50.1	0	0	0	0	110.5	I481 L505	I481-T503 HydrophobicContact CB-CG2 4.45Å; T503-L505 HydrophobicContact CG2-CG 4.35Å; T503-L505 PolarHBondContact O-N 2.76Å
504	T	35.7	Very low	40.7	Very low	57 Å²	57	42.8 Å²	42.8	35%	0.35	27%	0.266	S	S	.	.			trans	-85.6	101	177.3	-45.3	0	0	0	0	110.2	P502 R525	P502-T504 PolarHBondContact O-N 2.99Å; T504-R525 HydrophobicContact CG2-CB 4.26Å
505	L	39.6	Very low	40.4	Very low	15 Å²	15	42.7 Å²	42.7	8%	0.079	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-87.2	118	172.5	-67.3	136.4	0	0	0	110	T503 Q509 L512 V524 R525	T503-L505 HydrophobicContact CG2-CG 4.35Å; T503-L505 PolarHBondContact O-N 2.76Å; L505-Q509 HydrophobicContact CD2-CB 4.36Å; L505-Q509 HydrophobicContact CD2-CG 4.41Å; L505-L512 HydrophobicContact CD1-CD2 4.25Å; L505-V524 HydrophobicContact CB-CG1 4.25Å; L505-V524 HydrophobicContact CD1-CB 4.4Å; L505-V524 HydrophobicContact CD1-CG1 3.95Å; L505-V524 HydrophobicContact CD1-CG2 3.88Å; L505-R525 CarbonylContact O-C 3.57Å; L505-R525 VanDerWaalsContact O-C 3.22Å
506	T	37.2	Very low	40.1	Very low	50 Å²	50	42.3 Å²	42.3	31%	0.307	26%	0.263	S	S	.	.			trans	-101.8	132.2	171	-47.5	0	0	0	0	109.4	Q509	T506-Q509 PolarHBondContact O-NE2 3.33Å
507	D	37.4	Very low	39.9	Very low	26 Å²	26	43.3 Å²	43.3	14%	0.139	27%	0.27	C	S	.	.	S	Bend	trans	49.6	126.9	167.2	-65.6	-19.6	0	0	0	121.6	Q509 T527 S528	D507-Q509 WeakPolarHBondContact O-CG 3.25Å; D507-Q509 PolarHBondContact O-N 2.83Å; D507-T527 VanDerWaalsContact OD1-C 3.23Å; D507-T527 VanDerWaalsContact OD1-CA 3.3Å; D507-T527 WeakPolarHBondContact OD1-CA 3Å; D507-T527 WeakPolarHBondContact OD1-CB 3.46Å; D507-T527 PolarHBondContact OD1-N 3Å; D507-T527 PolarHBondContact OD1-OG1 2.82Å; D507-T527 PolarHBondContact OD2-OG1 3.25Å; D507-S528 WeakPolarHBondContact CA-OG 3.33Å; D507-S528 VanDerWaalsContact CB-OG 3.24Å; D507-S528 WeakPolarHBondContact CB-OG 3.34Å; D507-S528 WeakPolarHBondContact OD1-CB 3.28Å; D507-S528 PolarHBondContact OD1-N 3.03Å; D507-S528 PolarHBondContact OD1-OG 2.92Å
508	N	39.7	Very low	39.8	Very low	72 Å²	72	42 Å²	42	39%	0.385	26%	0.264	S	S	.	.	S	Bend	trans	52.3	45.7	165.4	-74.6	-3.9	0	0	0	118.6	V529	N508-V529 PolarHBondContact OD1-O 3Å; N508-V529 VanDerWaalsContact OD1-O 3.1Å
509	Q	43.3	Very low	40.2	Very low	14 Å²	14	45.1 Å²	45.1	7%	0.065	27%	0.269	C	S	.	.			trans	-104.1	147.1	-179	-57.2	-169.8	55	0	0	113.7	T483 L505 T506 D507	T483-Q509 PolarHBondContact OG1-NE2 2.89Å; L505-Q509 HydrophobicContact CD2-CB 4.36Å; L505-Q509 HydrophobicContact CD2-CG 4.41Å; T506-Q509 PolarHBondContact O-NE2 3.33Å; D507-Q509 WeakPolarHBondContact O-CG 3.25Å; D507-Q509 PolarHBondContact O-N 2.83Å
510	T	44.8	Very low	40.3	Very low	48 Å²	48	41.5 Å²	41.5	29%	0.294	25%	0.246	S	C	.	.			trans	-103.6	-29.3	-172.3	41.5	0	0	0	0	116.1	P488 N532 I533 T534	P488-T510 HydrophobicContact CB-CG2 4.15Å; P488-T510 WeakPolarHBondContact CB-OG1 3.03Å; P488-T510 HydrophobicContact CG-CG2 4.46Å; T510-N532 CarbonylContact O-C 3.5Å; T510-I533 WeakPolarHBondContact O-CA 3.1Å; T510-T534 PolarHBondContact O-N 3.33Å
511	S	43.6	Very low	40.6	Very low	32 Å²	32	43.2 Å²	43.2	22%	0.224	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	138.6	-177.9	-160.3	0	0	0	0	114.6	T534	S511-T534 PolarHBondContact OG-O 2.81Å
512	L	43.8	Very low	41	Very low	4 Å²	4	41.9 Å²	41.9	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.3	171.9	172.6	64.3	0	0	0	108.4	F491 L505 E522 T534 T535	F491-L512 HydrophobicContact CB-CD1 3.54Å; F491-L512 HydrophobicContact CG-CD1 4.43Å; L505-L512 HydrophobicContact CD1-CD2 4.25Å; L512-E522 WeakPolarHBondContact CD2-OE1 3.49Å; L512-T534 PolarHBondContact N-O 3.14Å; L512-T535 HydrophobicContact CB-CG2 4.14Å; L512-T535 HydrophobicContact CD2-CG2 4.49Å; L512-T535 HydrophobicContact CG-CG2 4.42Å; L512-T535 WeakPolarHBondContact O-CA 3.47Å; L512-T535 WeakPolarHBondContact O-CG2 3.5Å
513	T	45.2	Very low	41.2	Very low	43 Å²	43	41.1 Å²	41.1	26%	0.264	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.3	175.3	-54.9	0	0	0	0	109.1	F491 T492 S493	F491-T513 PolarHBondContact O-N 2.87Å; F491-T513 VanDerWaalsContact O-O 3.06Å; T492-T513 WeakPolarHBondContact CA-O 3.05Å; S493-T513 PolarHBondContact N-O 3.49Å
514	S	45.8	Very low	41.2	Very low	13 Å²	13	40.8 Å²	40.8	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.7	179.9	-64.2	0	0	0	0	110.4	S493 S536	S493-S514 PolarHBondContact OG-OG 2.86Å; S514-S536 PolarHBondContact N-O 3.02Å
515	T	46.4	Very low	41.3	Very low	51 Å²	51	46.6 Å²	46.6	31%	0.313	25%	0.254	S	S	.	.			trans	-107.9	101.9	177.5	18.3	0	0	0	0	109	S493 T494 P495	S493-T515 PolarHBondContact O-N 3.12Å; S493-T515 PolarHBondContact O-OG1 3.28Å; T494-T515 WeakPolarHBondContact CA-O 3.4Å; P495-T515 WeakPolarHBondContact CD-O 3.49Å
516	S	43.3	Very low	41.2	Very low	10 Å²	10	46.9 Å²	46.9	7%	0.07	26%	0.257	C	S	.	.			trans	-118.1	153.5	173.9	75.1	0	0	0	0	111.5	S518 L520	S516-S518 PolarHBondContact OG-O 3.41Å; S516-L520 WeakPolarHBondContact OG-CD1 3.34Å; S516-L520 VanDerWaalsContact OG-CG 3.29Å; S516-L520 WeakPolarHBondContact OG-CG 3.4Å
517	S	42.7	Very low	41.1	Very low	76 Å²	76	50 Å²	50	53%	0.531	28%	0.276	S	S	.	.	S	Bend	trans	-84.6	-9.9	171.9	61.9	0	0	0	0	113.4	S496	S496-S517 PolarHBondContact O-OG 3.34Å
518	S	37.2	Very low	41	Very low	43 Å²	43	50.7 Å²	50.7	30%	0.301	28%	0.283	S	S	.	.	S	Bend	trans	-153.4	167.6	-171.9	54.9	0	0	0	0	113.8	S516 L520	S516-S518 PolarHBondContact OG-O 3.41Å; S518-L520 PolarHBondContact O-N 3.23Å
519	K	41.2	Very low	40.8	Very low	132 Å²	132	50.1 Å²	50.1	57%	0.574	28%	0.282	S	S	*	.			trans	-28.8	115.7	-172.8	-172.4	-178.3	-179.9	-176	0	114.9
520	L	39.6	Very low	40.5	Very low	19 Å²	19	49.6 Å²	49.6	10%	0.099	28%	0.28	C	S	.	.			trans	-102.4	139.2	174.2	-83	163.1	0	0	0	111.1	S500 S516 S518 S537 V539	S500-L520 WeakPolarHBondContact OG-CD2 3.41Å; S516-L520 WeakPolarHBondContact OG-CD1 3.34Å; S516-L520 VanDerWaalsContact OG-CG 3.29Å; S516-L520 WeakPolarHBondContact OG-CG 3.4Å; S518-L520 PolarHBondContact O-N 3.23Å; L520-S537 WeakPolarHBondContact CD1-OG 3.35Å; L520-V539 HydrophobicContact CD1-CG2 4.4Å
521	T	40.6	Very low	40.1	Very low	59 Å²	59	51.1 Å²	51.1	36%	0.362	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.4	162.5	-52.6	0	0	0	0	108.1	S500	S500-T521 PolarHBondContact OG-N 3.45Å; S500-T521 PolarHBondContact OG-O 2.51Å
522	E	41	Very low	39.7	Very low	35 Å²	35	54.3 Å²	54.3	16%	0.164	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.7	-177.7	-165.7	-174.5	164.1	0	0	109.5	L512 T535	L512-E522 WeakPolarHBondContact CD2-OE1 3.49Å; E522-T535 WeakPolarHBondContact OE1-CG2 3.45Å
523	S	38.8	Very low	39.4	Very low	38 Å²	38	55.8 Å²	55.8	27%	0.266	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	114.3	178.1	-52.3	0	0	0	0	110.2
524	V	39.2	Very low	39	Very low	20 Å²	20	56.4 Å²	56.4	12%	0.121	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.8	-176.8	-176.3	0	0	0	0	109	L505 T526	L505-V524 HydrophobicContact CB-CG1 4.25Å; L505-V524 HydrophobicContact CD1-CB 4.4Å; L505-V524 HydrophobicContact CD1-CG1 3.95Å; L505-V524 HydrophobicContact CD1-CG2 3.88Å; V524-T526 HydrophobicContact CG1-CG2 4.04Å
525	R	37.6	Very low	38.7	Very low	178 Å²	178	57 Å²	57	67%	0.672	32%	0.318	S	S	*	.			trans	-127.1	91.3	179.9	-166.6	-174.5	-161.8	-176	6.2	111.7	T504 L505 A548	T504-R525 HydrophobicContact CG2-CB 4.26Å; L505-R525 CarbonylContact O-C 3.57Å; L505-R525 VanDerWaalsContact O-C 3.22Å; R525-A548 HydrophobicContact CG-CB 4.3Å
526	T	36.6	Very low	38.4	Very low	22 Å²	22	57.1 Å²	57.1	14%	0.135	32%	0.321	C	S	.	.			trans	-94.4	143.8	179.2	57.8	0	0	0	0	112.4	V524 S528 P530	V524-T526 HydrophobicContact CG1-CG2 4.04Å; T526-S528 WeakPolarHBondContact CB-O 3.45Å; T526-P530 HydrophobicContact CG2-CG 4.06Å
527	T	35.2	Very low	38.3	Very low	116 Å²	116	58 Å²	58	71%	0.712	33%	0.327	S	S	*	.	S	Bend	trans	-99.2	-4.1	168.2	39.4	0	0	0	0	113.4	D507	D507-T527 VanDerWaalsContact OD1-C 3.23Å; D507-T527 VanDerWaalsContact OD1-CA 3.3Å; D507-T527 WeakPolarHBondContact OD1-CA 3Å; D507-T527 WeakPolarHBondContact OD1-CB 3.46Å; D507-T527 PolarHBondContact OD1-N 3Å; D507-T527 PolarHBondContact OD1-OG1 2.82Å; D507-T527 PolarHBondContact OD2-OG1 3.25Å
528	S	35.9	Very low	38.1	Very low	39 Å²	39	58.7 Å²	58.7	27%	0.273	33%	0.328	S	S	.	.	S	Bend	trans	-146.8	158.3	177.6	57	0	0	0	0	111.4	D507 T526 P530	D507-S528 WeakPolarHBondContact CA-OG 3.33Å; D507-S528 VanDerWaalsContact CB-OG 3.24Å; D507-S528 WeakPolarHBondContact CB-OG 3.34Å; D507-S528 WeakPolarHBondContact OD1-CB 3.28Å; D507-S528 PolarHBondContact OD1-N 3.03Å; D507-S528 PolarHBondContact OD1-OG 2.92Å; T526-S528 WeakPolarHBondContact CB-O 3.45Å; S528-P530 WeakPolarHBondContact O-CD 3.28Å
529	V	35.4	Very low	38.2	Very low	61 Å²	61	57.5 Å²	57.5	37%	0.37	32%	0.319	S	S	.	.			trans	-63.5	107.8	-169.6	-177.6	0	0	0	0	112.2	N508 T552	N508-V529 PolarHBondContact OD1-O 3Å; N508-V529 VanDerWaalsContact OD1-O 3.1Å; V529-T552 VanDerWaalsContact CG1-O 3.26Å; V529-T552 WeakPolarHBondContact CG1-O 3.31Å; V529-T552 VanDerWaalsContact CG1-OG1 3.27Å; V529-T552 WeakPolarHBondContact CG1-OG1 3.13Å; V529-T552 WeakPolarHBondContact CG2-OG1 3.48Å
530	P	36.2	Very low	38.1	Very low	3 Å²	3	54.2 Å²	54.2	2%	0.019	32%	0.316	C	S	.	.			trans	-79.1	136.4	172.8	33.1	-32.3	0	0	0	110.7	T526 S528 I533 L553	T526-P530 HydrophobicContact CG2-CG 4.06Å; S528-P530 WeakPolarHBondContact O-CD 3.28Å; P530-I533 HydrophobicContact CB-CD1 3.97Å; P530-I533 HydrophobicContact CB-CG1 4.09Å; P530-I533 HydrophobicContact CG-CD1 3.77Å; P530-I533 HydrophobicContact CG-CG1 4.36Å; P530-L553 HydrophobicContact CG-CD1 4.45Å
531	T	35.8	Very low	37.7	Very low	79 Å²	79	57 Å²	57	49%	0.485	34%	0.335	S	S	.	.			trans	-99.4	132.4	169.5	20.2	0	0	0	0	110.7
532	N	36.6	Very low	37.5	Very low	100 Å²	100	58.3 Å²	58.3	54%	0.535	34%	0.339	S	S	.	.			trans	65.4	37.5	169.2	-67.1	-16.7	0	0	0	119.1	T510 T534	T510-N532 CarbonylContact O-C 3.5Å; N532-T534 PolarHBondContact O-N 3.18Å; N532-T534 PolarHBondContact O-OG1 3.05Å
533	I	36.6	Very low	37.3	Very low	35 Å²	35	57.9 Å²	57.9	18%	0.179	34%	0.339	C	S	.	.			trans	-55	111.4	170.8	-56.5	176	0	0	0	110.5	T510 P530 L553	T510-I533 WeakPolarHBondContact O-CA 3.1Å; P530-I533 HydrophobicContact CB-CD1 3.97Å; P530-I533 HydrophobicContact CB-CG1 4.09Å; P530-I533 HydrophobicContact CG-CD1 3.77Å; P530-I533 HydrophobicContact CG-CG1 4.36Å; I533-L553 HydrophobicContact CD1-CD1 4.48Å
534	T	38.2	Very low	37.1	Very low	56 Å²	56	59.8 Å²	59.8	34%	0.344	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.2	168.7	-55.3	0	0	0	0	108.7	T510 S511 L512 N532	T510-T534 PolarHBondContact O-N 3.33Å; S511-T534 PolarHBondContact OG-O 2.81Å; L512-T534 PolarHBondContact N-O 3.14Å; N532-T534 PolarHBondContact O-N 3.18Å; N532-T534 PolarHBondContact O-OG1 3.05Å
535	T	38.8	Very low	37.2	Very low	26 Å²	26	61.3 Å²	61.3	16%	0.16	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.1	173.2	17.6	0	0	0	0	109.4	L512 E522	L512-T535 HydrophobicContact CB-CG2 4.14Å; L512-T535 HydrophobicContact CD2-CG2 4.49Å; L512-T535 HydrophobicContact CG-CG2 4.42Å; L512-T535 WeakPolarHBondContact O-CA 3.47Å; L512-T535 WeakPolarHBondContact O-CG2 3.5Å; E522-T535 WeakPolarHBondContact OE1-CG2 3.45Å
536	S	39.6	Very low	37.1	Very low	52 Å²	52	56.3 Å²	56.3	36%	0.364	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.7	172.5	-62.3	0	0	0	0	108.7	S514	S514-S536 PolarHBondContact N-O 3.02Å
537	S	41.6	Very low	37	Very low	29 Å²	29	57.2 Å²	57.2	20%	0.203	35%	0.347	C	S	.	.			trans	-134.5	122.6	176.8	-161.7	0	0	0	0	109.8	L520 V539	L520-S537 WeakPolarHBondContact CD1-OG 3.35Å; S537-V539 WeakPolarHBondContact OG-CG2 3.02Å
538	T	38.6	Very low	36.8	Very low	90 Å²	90	53.6 Å²	53.6	55%	0.552	33%	0.33	S	S	*	.			trans	-92.3	94.9	169	43.2	0	0	0	0	108.1
539	V	39.5	Very low	36.4	Very low	18 Å²	18	59 Å²	59	11%	0.109	35%	0.351	C	S	.	.			trans	-115.8	140.5	-175.9	-173.9	0	0	0	0	111.1	L520 S537 T541	L520-V539 HydrophobicContact CD1-CG2 4.4Å; S537-V539 WeakPolarHBondContact OG-CG2 3.02Å; V539-T541 WeakPolarHBondContact CG1-O 3.49Å
540	A	37.8	Very low	36.1	Very low	63 Å²	63	63.6 Å²	63.6	52%	0.521	37%	0.373	S	S	.	.	S	Bend	trans	-87.3	-23.5	171.5	0	0	0	0	0	114.1
541	T	32.3	Very low	35.9	Very low	79 Å²	79	64.1 Å²	64.1	49%	0.485	38%	0.376	S	S	.	.	S	Bend	trans	-158.8	135.3	-180	55.6	0	0	0	0	115.1	V539	V539-T541 WeakPolarHBondContact CG1-O 3.49Å
542	N	36.1	Very low	35.7	Very low	85 Å²	85	64.4 Å²	64.4	46%	0.455	38%	0.378	S	S	.	.			trans	44	106.7	164	-75.1	-16.6	0	0	0	119.3	T564	N542-T564 PolarHBondContact OD1-O 3.41Å; N542-T564 PolarHBondContact OD1-OG1 3.38Å
543	T	37	Very low	35.6	Very low	27 Å²	27	61.2 Å²	61.2	17%	0.166	36%	0.361	C	S	.	.			trans	-117.7	136.3	171.9	-53.2	0	0	0	0	110.6
544	T	34.1	Very low	35.5	Very low	78 Å²	78	62.7 Å²	62.7	48%	0.479	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133	172.4	-53.4	0	0	0	0	109.7
545	R	41.6	Very low	35.2	Very low	52 Å²	52	62.9 Å²	62.9	20%	0.196	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.2	-176.7	-169.4	-178.3	74.5	156.9	7.1	111.2	M567	R545-M567 VanDerWaalsContact NH2-CE 3.31Å; R545-M567 PolarHBondContact NH2-SD 2.79Å
546	T	34.7	Very low	35	Very low	73 Å²	73	63.8 Å²	63.8	45%	0.448	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.7	174	-45.8	0	0	0	0	109.6
547	V	35.7	Very low	34.8	Very low	40 Å²	40	68.8 Å²	68.8	24%	0.242	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.4	177.2	-177.2	0	0	0	0	108.3
548	A	31.3	Very low	34.6	Very low	41 Å²	41	69.4 Å²	69.4	34%	0.339	40%	0.401	S	S	.	.			trans	-85.5	157.1	-177.9	0	0	0	0	0	113.6	R525 S551	R525-A548 HydrophobicContact CG-CB 4.3Å; A548-S551 PolarHBondContact O-OG 2.94Å
549	E	27.5	Very low	34.6	Very low	153 Å²	153	68.8 Å²	68.8	72%	0.715	40%	0.4	S	S	*	.	S	Bend	trans	-49.8	144.7	-174.2	-65.6	174.5	160.7	0	0	115.3	N570	E549-N570 WeakPolarHBondContact CA-ND2 3.49Å
550	N	29.1	Very low	34.5	Very low	157 Å²	157	73 Å²	73	84%	0.84	42%	0.418	S	S	*	.	S	Bend	trans	82.4	26.1	172.1	-57.6	-2.5	0	0	0	118.8
551	S	31.5	Very low	34.3	Very low	13 Å²	13	75.3 Å²	75.3	9%	0.091	43%	0.425	C	S	.	.			trans	-102.6	119.6	173.2	40.7	0	0	0	0	112.5	A548 L553	A548-S551 PolarHBondContact O-OG 2.94Å; S551-L553 PolarHBondContact O-N 3.05Å
552	T	31.6	Very low	34.2	Very low	85 Å²	85	75.5 Å²	75.5	52%	0.521	43%	0.427	S	S	.	.			trans	-83.9	94.8	167.6	48.4	0	0	0	0	109.4	V529	V529-T552 VanDerWaalsContact CG1-O 3.26Å; V529-T552 WeakPolarHBondContact CG1-O 3.31Å; V529-T552 VanDerWaalsContact CG1-OG1 3.27Å; V529-T552 WeakPolarHBondContact CG1-OG1 3.13Å; V529-T552 WeakPolarHBondContact CG2-OG1 3.48Å
553	L	33.5	Very low	33.9	Very low	33 Å²	33	74.6 Å²	74.6	17%	0.173	43%	0.427	C	S	.	.			trans	-84.9	120.1	-171	-158.2	67.6	0	0	0	111.7	P530 I533 S551 I556 T573	P530-L553 HydrophobicContact CG-CD1 4.45Å; I533-L553 HydrophobicContact CD1-CD1 4.48Å; S551-L553 PolarHBondContact O-N 3.05Å; L553-I556 HydrophobicContact CD2-CD1 3.33Å; L553-I556 HydrophobicContact CD2-CG1 3.41Å; L553-I556 VanDerWaalsContact CD2-CG1 3.41Å; L553-I556 HydrophobicContact CG-CG1 4.23Å; L553-T573 HydrophobicContact CB-CG2 4.25Å
554	S	34.7	Very low	33.6	Very low	66 Å²	66	78.7 Å²	78.7	46%	0.462	45%	0.452	S	S	.	.			trans	-81.5	-33.2	-173	-41.7	0	0	0	0	114.8
555	T	33.2	Very low	33.7	Very low	60 Å²	60	78.3 Å²	78.3	37%	0.368	45%	0.453	S	S	.	.			trans	-167	133	173.9	-54.6	0	0	0	0	109.8	K557	T555-K557 HydrophobicContact CG2-CG 4.45Å
556	I	34.8	Very low	33.3	Very low	46 Å²	46	79.4 Å²	79.4	24%	0.236	47%	0.468	C	S	.	.			trans	-104.3	120.9	163.4	-62.8	160.2	0	0	0	107.3	L553 A558	L553-I556 HydrophobicContact CD2-CD1 3.33Å; L553-I556 HydrophobicContact CD2-CG1 3.41Å; L553-I556 VanDerWaalsContact CD2-CG1 3.41Å; L553-I556 HydrophobicContact CG-CG1 4.23Å; I556-A558 HydrophobicContact CG2-CB 4Å
557	K	34	Very low	33.4	Very low	156 Å²	156	79.9 Å²	79.9	68%	0.678	47%	0.466	S	S	*	.	B	Isolated β-bridge	trans	-100.8	106.1	160.1	-76.1	-177.3	-179	177.5	0	107.8	T555	T555-K557 HydrophobicContact CG2-CG 4.45Å
558	A	39	Very low	33.2	Very low	42 Å²	42	85.3 Å²	85.3	35%	0.347	49%	0.489	S	S	.	.			trans	-116.8	126.1	172.7	0	0	0	0	0	108.5	I556 F560	I556-A558 HydrophobicContact CG2-CB 4Å; A558-F560 HydrophobicContact CB-CD2 4.32Å; A558-F560 HydrophobicContact CB-CE2 3.57Å; A558-F560 HydrophobicContact CB-CZ 3.97Å
559	S	37	Very low	33.1	Very low	77 Å²	77	87.6 Å²	87.6	54%	0.538	50%	0.495	S	S	.	.			trans	-112.1	115.2	173.1	42.2	0	0	0	0	108.3
560	F	37.1	Very low	33.4	Very low	107 Å²	107	82.9 Å²	82.9	47%	0.469	48%	0.475	S	S	.	.			trans	-110.9	129.8	174.8	-57.6	-84.2	0	0	0	108.6	A558	A558-F560 HydrophobicContact CB-CD2 4.32Å; A558-F560 HydrophobicContact CB-CE2 3.57Å; A558-F560 HydrophobicContact CB-CZ 3.97Å
561	T	35.6	Very low	33.7	Very low	112 Å²	112	82.5 Å²	82.5	69%	0.687	48%	0.478	S	S	*	.	S	Bend	trans	-86.2	-28.1	-179.7	-43.5	0	0	0	0	112.3
562	T	29.7	Very low	33.6	Very low	83 Å²	83	86.5 Å²	86.5	51%	0.509	51%	0.506	S	S	.	.	S	Bend	trans	-168	148.1	175.1	34.2	0	0	0	0	110.5
563	S	29.6	Very low	33.7	Very low	66 Å²	66	84.4 Å²	84.4	46%	0.462	49%	0.493	S	S	.	.	S	Bend	trans	101.8	150.7	166.6	-53.4	0	0	0	0	119.5	S565	S563-S565 PolarHBondContact O-N 3.18Å
564	T	31.1	Very low	33.4	Very low	113 Å²	113	89 Å²	89	69%	0.693	52%	0.523	S	S	*	.			trans	-54.4	106.8	-178.5	40.3	0	0	0	0	113.2	N542	N542-T564 PolarHBondContact OD1-O 3.41Å; N542-T564 PolarHBondContact OD1-OG1 3.38Å
565	S	34.9	Very low	33.1	Very low	70 Å²	70	90.7 Å²	90.7	49%	0.49	53%	0.526	S	S	.	.			trans	-102.4	136.4	171.2	58.8	0	0	0	0	110.6	S563	S563-S565 PolarHBondContact O-N 3.18Å
566	S	33.8	Very low	32.8	Very low	74 Å²	74	92.4 Å²	92.4	52%	0.517	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.1	165.4	56.3	0	0	0	0	110.3
567	M	36	Very low	32.5	Very low	84 Å²	84	94.9 Å²	94.9	41%	0.414	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.6	119.5	175.7	-172.4	-175.3	-59.4	0	0	108.4	R545 L569	R545-M567 VanDerWaalsContact NH2-CE 3.31Å; R545-M567 PolarHBondContact NH2-SD 2.79Å; M567-L569 HydrophobicContact CB-CD1 4.29Å; M567-L569 HydrophobicContact CG-CD1 3.61Å; M567-L569 HydrophobicContact CG-CG 4.03Å; M567-L569 HydrophobicContact SD-CD1 3.45Å; M567-L569 WeakPolarHBondContact SD-CD1 3.31Å; M567-L569 HydrophobicContact SD-CD2 4.05Å; M567-L569 HydrophobicContact SD-CG 3.82Å
568	E	32.5	Very low	32.1	Very low	153 Å²	153	95.3 Å²	95.3	72%	0.715	57%	0.566	S	S	*	*			trans	-93.2	123.6	165.1	-78.6	179.2	156.6	0	0	108.5
569	L	28.8	Very low	31.6	Very low	90 Å²	90	97.7 Å²	97.7	47%	0.471	58%	0.577	S	S	.	*			trans	-116.3	142.2	172.5	-61.1	99	0	0	0	109.7	M567 T573 I575	M567-L569 HydrophobicContact CB-CD1 4.29Å; M567-L569 HydrophobicContact CG-CD1 3.61Å; M567-L569 HydrophobicContact CG-CG 4.03Å; M567-L569 HydrophobicContact SD-CD1 3.45Å; M567-L569 WeakPolarHBondContact SD-CD1 3.31Å; M567-L569 HydrophobicContact SD-CD2 4.05Å; M567-L569 HydrophobicContact SD-CG 3.82Å; L569-T573 HydrophobicContact CD2-CG2 4.37Å; L569-I575 HydrophobicContact CD2-CD1 4.28Å
570	N	33.4	Very low	31	Very low	54 Å²	54	100 Å²	100	29%	0.289	59%	0.588	S	S	.	*			trans	-104.6	165.5	172.3	57	18.3	0	0	0	112.1	E549 S572 T573	E549-N570 WeakPolarHBondContact CA-ND2 3.49Å; N570-S572 VanDerWaalsContact C-N 3.32Å; N570-S572 PolarHBondContact O-N 2.95Å; N570-T573 PolarHBondContact O-OG1 3.34Å
571	T	35.4	Very low	30.5	Very low	148 Å²	148	101.1 Å²	101.1	91%	0.908	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	20.4	-143.3	46.2	0	0	0	0	118.7
572	S	30.5	Very low	30	Very low	98 Å²	98	102 Å²	102	69%	0.685	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	35.2	178.3	-67.3	0	0	0	0	114.8	N570	N570-S572 VanDerWaalsContact C-N 3.32Å; N570-S572 PolarHBondContact O-N 2.95Å
573	T	32.2	Very low	29.8	Very low	41 Å²	41	102.4 Å²	102.4	25%	0.252	61%	0.608	S	S	.	*			trans	-100.1	120	179.3	-47.8	0	0	0	0	111.4	L553 L569 N570 I575	L553-T573 HydrophobicContact CB-CG2 4.25Å; L569-T573 HydrophobicContact CD2-CG2 4.37Å; N570-T573 PolarHBondContact O-OG1 3.34Å; T573-I575 HydrophobicContact CG2-CG1 4.14Å
574	T	28	Very low	29.7	Very low	130 Å²	130	105.4 Å²	105.4	80%	0.798	62%	0.624	S	S	*	*			trans	-85.5	128.1	165.1	-41.8	0	0	0	0	109
575	I	29	Very low	29.3	Very low	101 Å²	101	107.7 Å²	107.7	52%	0.518	63%	0.632	S	S	.	*			trans	-113.2	132.1	-166.4	-57.4	174.8	0	0	0	110.1	L569 T573 V577	L569-I575 HydrophobicContact CD2-CD1 4.28Å; T573-I575 HydrophobicContact CG2-CG1 4.14Å; I575-V577 HydrophobicContact CG2-CB 4.31Å; I575-V577 HydrophobicContact CG2-CG2 3.12Å
576	S	27.3	Very low	28.9	Very low	96 Å²	96	113.8 Å²	113.8	67%	0.671	65%	0.65	S	S	*	*			trans	-117.1	98.3	154.3	-77.1	0	0	0	0	107.9
577	V	27.7	Very low	28.4	Very low	98 Å²	98	118.5 Å²	118.5	59%	0.594	67%	0.668	S	S	*	*			trans	-88.3	120.4	173.4	-164.1	0	0	0	0	107.9	I575 T579	I575-V577 HydrophobicContact CG2-CB 4.31Å; I575-V577 HydrophobicContact CG2-CG2 3.12Å; V577-T579 HydrophobicContact CG1-CG2 3.75Å; V577-T579 WeakPolarHBondContact CG1-OG1 3.44Å
578	L	26.2	Very low	27.8	Very low	165 Å²	165	120.9 Å²	120.9	86%	0.864	69%	0.687	S	S	*	*			trans	-102.5	88.1	158.2	-168.8	70.9	0	0	0	107.7
579	T	27.8	Very low	27.4	Very low	92 Å²	92	121.9 Å²	121.9	56%	0.564	69%	0.692	S	S	*	*			trans	-89.8	113.2	177.1	5.3	0	0	0	0	108.8	V577 I581	V577-T579 HydrophobicContact CG1-CG2 3.75Å; V577-T579 WeakPolarHBondContact CG1-OG1 3.44Å; T579-I581 HydrophobicContact CG2-CD1 3.8Å; T579-I581 HydrophobicContact CG2-CG1 3.65Å
580	T	24.3	Very low	27.1	Very low	126 Å²	126	129 Å²	129	77%	0.773	71%	0.713	S	S	*	*			trans	-95.1	90.5	159.6	-51.2	0	0	0	0	106.5
581	I	27.4	Very low	26.5	Very low	129 Å²	129	132.5 Å²	132.5	66%	0.662	74%	0.737	S	S	*	*			trans	-94.4	115.5	177.7	-53.6	169.2	0	0	0	107.4	T579	T579-I581 HydrophobicContact CG2-CD1 3.8Å; T579-I581 HydrophobicContact CG2-CG1 3.65Å
582	V	23.9	Very low	25.9	Very low	131 Å²	131	130.6 Å²	130.6	79%	0.794	73%	0.727	S	S	*	*			trans	-109.9	84.7	160.7	-174.1	0	0	0	0	106.6
583	S	26.7	Very low	25.5	Very low	91 Å²	91	133.1 Å²	133.1	64%	0.636	74%	0.738	S	S	*	*			trans	-178.1	135	153.1	-88.4	0	0	0	0	112.9
584	T	26.7	Very low	25	Very low	130 Å²	130	140 Å²	140	80%	0.798	77%	0.765	S	S	*	*			trans	-68.7	111.9	161.2	31.6	0	0	0	0	110.2
585	D	23.9	Very low	24.7	Very low	161 Å²	161	139.4 Å²	139.4	86%	0.861	77%	0.766	S	S	*	*			trans	-179.2	147.8	133.1	-93.5	-27.9	0	0	0	112.6
586	K	24.5	Very low	24.4	Very low	197 Å²	197	138.8 Å²	138.8	86%	0.857	77%	0.771	S	S	*	*			trans	-35.7	119.9	-171.3	-101	179.6	165.8	-175.6	0	116.5
587	L	24.6	Very low	24.2	Very low	174 Å²	174	142.8 Å²	142.8	91%	0.911	78%	0.779	S	S	*	*			trans	-66	130.7	155.5	-104.5	112.6	0	0	0	109.8
588	T	23.7	Very low	24.2	Very low	133 Å²	133	143.8 Å²	143.8	82%	0.816	79%	0.79	S	S	*	*			trans	-103.9	106.1	169.2	-43.1	0	0	0	0	108.1
589	E	23.6	Very low	24	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	79%	0.789	S	S	*	*			trans	-74.3	119.7	-178.9	-170.6	175.1	-176.6	0	0	110.3
590	R	22.7	Very low	24	Very low	238 Å²	238	147.5 Å²	147.5	90%	0.898	81%	0.806	S	S	*	*			trans	-104.9	119.2	164	-98.4	-173.5	171	-130.8	-0.5	108.1	P592	R590-P592 VanDerWaalsContact O-CD 3.23Å; R590-P592 WeakPolarHBondContact O-CD 3.48Å
591	T	20.2	Very low	24.1	Very low	129 Å²	129	146.5 Å²	146.5	79%	0.791	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-63.3	116.1	-174.6	-36.9	0	0	0	0	112.6
592	P	24.1	Very low	23.9	Very low	108 Å²	108	148.5 Å²	148.5	70%	0.701	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-94.6	133.5	158.5	18	0.9	0	0	0	109.6	R590 F594	R590-P592 VanDerWaalsContact O-CD 3.23Å; R590-P592 WeakPolarHBondContact O-CD 3.48Å; P592-F594 PolarHBondContact O-N 2.88Å
593	T	20.7	Very low	24	Very low	151 Å²	151	147.4 Å²	147.4	93%	0.926	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63.6	120.8	-175.1	-27.3	0	0	0	0	111.3
594	F	22.4	Very low	24	Very low	186 Å²	186	150.9 Å²	150.9	82%	0.816	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-98.1	135.6	-177.1	-153.9	-92.5	0	0	0	110.7	P592	P592-F594 PolarHBondContact O-N 2.88Å
595	S	21.8	Very low	24	Very low	117 Å²	117	152.1 Å²	152.1	82%	0.818	82%	0.82	S	S	*	*			trans	-163.7	116.7	160.7	-175.4	0	0	0	0	105.1
596	S	23.2	Very low	24	Very low	88 Å²	88	151.2 Å²	151.2	62%	0.615	81%	0.814	S	S	*	*			cis	-157.5	145.1	30.7	45.2	0	0	0	0	111.7
597	Q	22.8	Very low	24	Very low	180 Å²	180	147.6 Å²	147.6	84%	0.841	81%	0.809	S	S	*	*			trans	51.4	100.7	147.2	-60.6	177.2	23.9	0	0	120.5
598	S	27	Very low	24	Very low	118 Å²	118	145 Å²	145	83%	0.825	80%	0.8	S	S	*	*				-174.3	117.5	109.7	-77.7	0	0	0	0	110.3
599	T	23	Very low	24.1	Very low	137 Å²	137	143.3 Å²	143.3	84%	0.84	80%	0.8	S	S	*	*			trans	-64.7	126.2	172.6	36.9	0	0	0	0	111.7
600	Q	27	Very low	24.1	Very low	199 Å²	199	139.7 Å²	139.7	93%	0.93	79%	0.794	S	S	*	*			trans	-155.6	138	144.2	-108.7	170.7	92.7	0	0	110.2
601	S	25.4	Very low	24.2	Very low	105 Å²	105	134 Å²	134	73%	0.734	79%	0.786	S	S	*	*			trans	-70.5	139.1	-156.2	-168.9	0	0	0	0	114.4	T603	S601-T603 PolarHBondContact O-N 2.72Å
602	I	24.2	Very low	24.5	Very low	170 Å²	170	136.3 Å²	136.3	87%	0.872	79%	0.792	S	S	*	*			trans	-80.3	87.7	161.5	-57.7	170.2	0	0	0	107.1
603	T	26.4	Very low	24.6	Very low	108 Å²	108	136.5 Å²	136.5	66%	0.663	79%	0.792	S	S	*	*			trans	-158.9	87.5	158.6	-40.8	0	0	0	0	107.6	S601	S601-T603 PolarHBondContact O-N 2.72Å
604	D	25.2	Very low	24.8	Very low	164 Å²	164	135.9 Å²	135.9	88%	0.877	79%	0.788	S	S	*	*			trans	-172.2	69.6	147	-88.8	-19.5	0	0	0	107.3
605	L	26.8	Very low	25.1	Very low	156 Å²	156	133.2 Å²	133.2	82%	0.817	79%	0.787	S	S	*	*			trans	-84.2	132.8	151	-146.4	79.4	0	0	0	105.5
606	I	23.8	Very low	25.3	Very low	142 Å²	142	135.9 Å²	135.9	73%	0.728	79%	0.787	S	S	*	*			trans	110.4	132.5	159.3	-50.6	153.3	0	0	0	115.8
607	T	25	Very low	25.4	Very low	122 Å²	122	137.8 Å²	137.8	75%	0.748	79%	0.794	S	S	*	*			trans	73.4	116.9	166.1	13.6	0	0	0	0	115.5
608	T	25.8	Very low	25.5	Very low	119 Å²	119	135.1 Å²	135.1	73%	0.73	79%	0.791	S	S	*	*			cis	-165.4	140.9	43.8	-44.1	0	0	0	0	107.8	S610	T608-S610 PolarHBondContact O-N 3.18Å
609	A	24.7	Very low	25.4	Very low	97 Å²	97	134.6 Å²	134.6	80%	0.802	78%	0.782	S	S	*	*			trans	-56.1	118.2	162.1	0	0	0	0	0	109
610	S	24	Very low	25.5	Very low	100 Å²	100	133.4 Å²	133.4	70%	0.699	78%	0.775	S	S	*	*			trans	-156.7	115.8	157.8	-83.8	0	0	0	0	110.3	T608	T608-S610 PolarHBondContact O-N 3.18Å
611	T	25	Very low	25.3	Very low	118 Å²	118	129.2 Å²	129.2	72%	0.724	76%	0.763	S	S	*	*			trans	62.3	110.8	151.1	50.7	0	0	0	0	117.7	T613	T611-T613 VanDerWaalsContact C-N 3.34Å; T611-T613 PolarHBondContact O-N 3.04Å
612	L	26.4	Very low	25.3	Very low	177 Å²	177	128.4 Å²	128.4	93%	0.927	75%	0.754	S	S	*	*			trans	-45.5	97.5	153.9	-79.1	75.2	0	0	0	109.4
613	T	26.4	Very low	25.3	Very low	113 Å²	113	127 Å²	127	69%	0.693	75%	0.747	S	S	*	*			trans	-89.3	113.5	154.7	34	0	0	0	0	107.2	T611 T615	T611-T613 VanDerWaalsContact C-N 3.34Å; T611-T613 PolarHBondContact O-N 3.04Å; T613-T615 VanDerWaalsContact C-N 3.34Å; T613-T615 PolarHBondContact O-N 3.34Å
614	T	25.2	Very low	25.6	Very low	137 Å²	137	129.3 Å²	129.3	84%	0.84	74%	0.744	S	S	*	*			trans	-42.8	93.1	166.4	-37.9	0	0	0	0	109.8	E616	T614-E616 PolarHBondContact O-N 2.96Å
615	T	28.2	Very low	26.1	Very low	130 Å²	130	127.8 Å²	127.8	80%	0.798	74%	0.741	S	S	*	*			trans	-77.7	108.9	168.2	18.3	0	0	0	0	107	T613 T617	T613-T615 VanDerWaalsContact C-N 3.34Å; T613-T615 PolarHBondContact O-N 3.34Å; T615-T617 PolarHBondContact O-N 3.32Å
616	E	25	Very low	27.3	Very low	174 Å²	174	121.8 Å²	121.8	81%	0.813	72%	0.717	S	S	*	*			trans	-42.1	125.3	175.2	-67	176.8	151.9	0	0	110.4	T614 T618	T614-E616 PolarHBondContact O-N 2.96Å; E616-T618 PolarHBondContact O-N 2.95Å
617	T	26.1	Very low	29.1	Very low	127 Å²	127	119 Å²	119	78%	0.779	70%	0.697	S	S	*	*			trans	-56.5	101.2	168.2	-50.4	0	0	0	0	107.7	T615 T619	T615-T617 PolarHBondContact O-N 3.32Å; T617-T619 PolarHBondContact O-N 3.47Å
618	T	24.7	Very low	31.4	Very low	124 Å²	124	114.1 Å²	114.1	76%	0.761	67%	0.667	S	S	*	*			trans	-62.2	94.5	165.7	-44.2	0	0	0	0	106.3	E616 T620	E616-T618 PolarHBondContact O-N 2.95Å; T618-T620 VanDerWaalsContact C-N 3.28Å; T618-T620 PolarHBondContact O-N 2.82Å
619	T	25.1	Very low	33.9	Very low	107 Å²	107	110.5 Å²	110.5	66%	0.656	65%	0.647	S	S	*	*			trans	-67.3	99.5	168.4	-54.7	0	0	0	0	104.4	T617 T621	T617-T619 PolarHBondContact O-N 3.47Å; T619-T621 PolarHBondContact O-N 2.88Å; T619-T621 PolarHBondContact O-OG1 2.95Å
620	T	25.4	Very low	36.7	Very low	112 Å²	112	105.9 Å²	105.9	69%	0.687	61%	0.609	S	S	*	*			trans	-66.2	87.4	169.2	-48	0	0	0	0	106.3	T618 T622	T618-T620 VanDerWaalsContact C-N 3.28Å; T618-T620 PolarHBondContact O-N 2.82Å; T620-T622 HydrophobicContact CG2-CG2 4.37Å; T620-T622 PolarHBondContact O-N 3.09Å
621	T	23.5	Very low	39.9	Very low	111 Å²	111	102.5 Å²	102.5	68%	0.681	58%	0.584	S	S	*	*			trans	-65.5	91.7	165.2	-30.1	0	0	0	0	104.9	T619 I623	T619-T621 PolarHBondContact O-N 2.88Å; T619-T621 PolarHBondContact O-OG1 2.95Å; T621-I623 PolarHBondContact O-N 2.71Å
622	T	25.4	Very low	43.1	Very low	88 Å²	88	96.9 Å²	96.9	54%	0.54	55%	0.549	S	S	.	.			trans	-62.1	94.9	164	36.3	0	0	0	0	105.7	T620 Y624	T620-T622 HydrophobicContact CG2-CG2 4.37Å; T620-T622 PolarHBondContact O-N 3.09Å; T622-Y624 WeakPolarHBondContact O-CD2 3.39Å; T622-Y624 PolarHBondContact O-N 3.06Å; T622-Y624 WeakPolarHBondContact OG1-CE2 3.49Å
623	I	23.9	Very low	46.4	Very low	140 Å²	140	90.5 Å²	90.5	72%	0.718	52%	0.515	S	S	*	.			trans	-66.5	92.8	171.7	-52.4	178.1	0	0	0	104.7	T621 V625	T621-I623 PolarHBondContact O-N 2.71Å; I623-V625 HydrophobicContact CB-CG2 4.44Å; I623-V625 HydrophobicContact CG2-CG2 3.86Å; I623-V625 WeakPolarHBondContact O-CG2 3.26Å; I623-V625 PolarHBondContact O-N 2.61Å
624	Y	32.3	Very low	49.6	Very low	157 Å²	157	85.1 Å²	85.1	62%	0.616	48%	0.482	S	S	*	.			trans	-68.2	83.4	171.1	-78.8	-86.3	0	0	0	107.8	T622 G626	T622-Y624 WeakPolarHBondContact O-CD2 3.39Å; T622-Y624 PolarHBondContact O-N 3.06Å; T622-Y624 WeakPolarHBondContact OG1-CE2 3.49Å; Y624-G626 VanDerWaalsContact C-N 3.28Å; Y624-G626 PolarHBondContact O-N 2.95Å
625	V	34.7	Very low	52.9	Low	133 Å²	133	81.7 Å²	81.7	81%	0.806	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	87.6	174.6	-162.3	0	0	0	0	107.8	I623	I623-V625 HydrophobicContact CB-CG2 4.44Å; I623-V625 HydrophobicContact CG2-CG2 3.86Å; I623-V625 WeakPolarHBondContact O-CG2 3.26Å; I623-V625 PolarHBondContact O-N 2.61Å
626	G	53.8	Low	56	Low	30 Å²	30	75.5 Å²	75.5	31%	0.309	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	156	-9.1	179.2	0	0	0	0	0	116.2	Y624	Y624-G626 VanDerWaalsContact C-N 3.28Å; Y624-G626 PolarHBondContact O-N 2.95Å
627	R	61.6	Low	59.2	Low	83 Å²	83	68.2 Å²	68.2	31%	0.313	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.3	171.6	-65.8	-164.4	-176.6	-154.3	7.3	110.9	Q728 T729	R627-Q728 HydrophobicContact CB-CB 4.35Å; R627-Q728 PolarHBondContact NH1-O 3.21Å; R627-T729 CarbonylContact C-O 3.6Å; R627-T729 VanDerWaalsContact CA-O 3.27Å; R627-T729 WeakPolarHBondContact CA-O 3.17Å
628	V	71.8	Confident	62.3	Low	19 Å²	19	62.2 Å²	62.2	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.5	177	173.8	0	0	0	0	107.9	T630 T729 A731 Q734 I771	V628-T630 PolarHBondContact O-N 2.84Å; V628-T729 PolarHBondContact N-O 2.87Å; V628-T729 PolarHBondContact O-N 2.72Å; V628-T729 PolarHBondContact O-OG1 3.13Å; V628-A731 HydrophobicContact CG2-CB 3.59Å; V628-Q734 HydrophobicContact CG1-CG 4.28Å; V628-I771 HydrophobicContact CB-CD1 4Å; V628-I771 HydrophobicContact CG1-CD1 3.28Å; V628-I771 HydrophobicContact CG1-CG1 3.85Å; V628-I771 HydrophobicContact CG2-CD1 3.47Å; V628-I771 VanDerWaalsContact CG2-CD1 3.47Å
629	S	78.1	Confident	65.2	Low	44 Å²	44	58.5 Å²	58.5	31%	0.308	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	114.8	170.7	175.6	0	0	0	0	110	E726 L727	S629-E726 VanDerWaalsContact CB-OE1 3.25Å; S629-E726 WeakPolarHBondContact CB-OE1 3.28Å; S629-E726 WeakPolarHBondContact OG-CG 3.43Å; S629-E726 PolarHBondContact OG-OE1 2.93Å; S629-L727 WeakPolarHBondContact CA-O 3.11Å
630	T	85.3	Confident	68	Low	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.2	170.5	-56.8	0	0	0	0	108.9	V628 F632 L727 T729 R766 S768	V628-T630 PolarHBondContact O-N 2.84Å; T630-F632 HydrophobicContact CG2-CD2 4.3Å; T630-F632 HydrophobicContact CG2-CE1 4.47Å; T630-F632 HydrophobicContact CG2-CE2 3.37Å; T630-F632 HydrophobicContact CG2-CZ 3.48Å; T630-F632 VanDerWaalsContact CG2-CZ 3.48Å; T630-L727 PolarHBondContact N-O 2.9Å; T630-L727 PolarHBondContact O-N 2.98Å; T630-T729 PolarHBondContact OG1-OG1 2.69Å; T630-R766 VanDerWaalsContact CG2-NE 3.35Å; T630-S768 WeakPolarHBondContact CG2-OG 2.9Å
631	T	89.9	Confident	70.3	Confident	28 Å²	28	53.9 Å²	53.9	17%	0.172	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133	-174	-41.7	0	0	0	0	111.7	Q724 I725 I767 S768	T631-Q724 HydrophobicContact CG2-CB 4.19Å; T631-I725 CarbonylContact C-O 3.47Å; T631-I725 WeakPolarHBondContact CA-O 3.36Å; T631-I767 PolarHBondContact O-N 3.18Å; T631-S768 PolarHBondContact N-OG 2.66Å; T631-S768 PolarHBondContact O-N 3.35Å; T631-S768 PolarHBondContact O-OG 2.76Å
632	F	92.9	Very high	72.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136	177.8	-60.1	-90.8	0	0	0	110.8	T630 Q724 I725 L727 L735 F740 T765 R766	T630-F632 HydrophobicContact CG2-CD2 4.3Å; T630-F632 HydrophobicContact CG2-CE1 4.47Å; T630-F632 HydrophobicContact CG2-CE2 3.37Å; T630-F632 HydrophobicContact CG2-CZ 3.48Å; T630-F632 VanDerWaalsContact CG2-CZ 3.48Å; F632-Q724 CarbonylContact O-C 3.29Å; F632-Q724 VanDerWaalsContact O-CA 3.28Å; F632-Q724 WeakPolarHBondContact O-CA 3.35Å; F632-I725 PolarHBondContact N-O 3.24Å; F632-I725 PolarHBondContact O-N 2.93Å; F632-L727 HydrophobicContact CD2-CD1 4.35Å; F632-L727 HydrophobicContact CE2-CD1 3.89Å; F632-L727 HydrophobicContact CE2-CG 4.39Å; F632-L735 HydrophobicContact CE2-CB 4.45Å; F632-L735 HydrophobicContact CZ-CB 3.85Å; F632-L735 VanDerWaalsContact CZ-O 3.31Å; F632-L735 WeakPolarHBondContact CZ-O 2.91Å; F632-F740 HydrophobicContact CB-CD1 3.75Å; F632-F740 HydrophobicContact CB-CE1 3.39Å; F632-F740 HydrophobicContact CB-CE2 4.36Å; F632-F740 HydrophobicContact CB-CG 4.36Å; F632-F740 HydrophobicContact CB-CZ 3.7Å; F632-F740 HydrophobicContact CD1-CB 3.77Å; F632-F740 AromaticContact CD1-CD1 3.4Å; F632-F740 HydrophobicContact CD1-CD1 3.4Å; F632-F740 HydrophobicContact CD1-CD2 4.26Å; F632-F740 AromaticContact CD1-CE1 4Å; F632-F740 HydrophobicContact CD1-CE1 4Å; F632-F740 AromaticContact CD1-CG 3.53Å; F632-F740 HydrophobicContact CD1-CG 3.53Å; F632-F740 HydrophobicContact CD2-CB 4.47Å; F632-F740 HydrophobicContact CD2-CD1 4.04Å; F632-F740 AromaticContact CD2-CD2 3.61Å; F632-F740 HydrophobicContact CD2-CD2 3.61Å; F632-F740 HydrophobicContact CD2-CE1 4.12Å; F632-F740 AromaticContact CD2-CE2 3.7Å; F632-F740 HydrophobicContact CD2-CE2 3.7Å; F632-F740 AromaticContact CD2-CG 3.77Å; F632-F740 HydrophobicContact CD2-CG 3.77Å; F632-F740 AromaticContact CD2-CZ 3.93Å; F632-F740 HydrophobicContact CD2-CZ 3.93Å; F632-F740 HydrophobicContact CE1-CB 3.36Å; F632-F740 AromaticContact CE1-CD1 3.96Å; F632-F740 HydrophobicContact CE1-CD1 3.96Å; F632-F740 HydrophobicContact CE1-CD2 4.31Å; F632-F740 AromaticContact CE1-CG 3.62Å; F632-F740 HydrophobicContact CE1-CG 3.62Å; F632-F740 HydrophobicContact CE2-CB 4.13Å; F632-F740 AromaticContact CE2-CD2 3.67Å; F632-F740 HydrophobicContact CE2-CD2 3.67Å; F632-F740 HydrophobicContact CE2-CE2 4.17Å; F632-F740 AromaticContact CE2-CG 3.85Å; F632-F740 HydrophobicContact CE2-CG 3.85Å; F632-F740 HydrophobicContact CG-CB 4.31Å; F632-F740 AromaticContact CG-CD1 3.44Å; F632-F740 HydrophobicContact CG-CD1 3.44Å; F632-F740 VanDerWaalsContact CG-CD1 3.44Å; F632-F740 AromaticContact CG-CD2 3.93Å; F632-F740 HydrophobicContact CG-CD2 3.93Å; F632-F740 AromaticContact CG-CE1 3.57Å; F632-F740 HydrophobicContact CG-CE1 3.57Å; F632-F740 HydrophobicContact CG-CE2 4.03Å; F632-F740 AromaticContact CG-CG 3.61Å; F632-F740 HydrophobicContact CG-CG 3.61Å; F632-F740 AromaticContact CG-CZ 3.84Å; F632-F740 HydrophobicContact CG-CZ 3.84Å; F632-F740 HydrophobicContact CZ-CB 3.57Å; F632-F740 HydrophobicContact CZ-CD1 4.48Å; F632-F740 HydrophobicContact CZ-CD2 4.02Å; F632-F740 AromaticContact CZ-CG 3.78Å; F632-F740 HydrophobicContact CZ-CG 3.78Å; F632-T765 CarbonylContact C-O 3.53Å; F632-T765 WeakPolarHBondContact CA-O 3.39Å; F632-R766 HydrophobicContact CD1-CB 3.77Å; F632-R766 HydrophobicContact CD1-CG 4Å; F632-R766 HydrophobicContact CE1-CB 3.7Å; F632-R766 HydrophobicContact CE1-CG 3.67Å; F632-R766 HydrophobicContact CZ-CG 4.25Å
633	Q	94.4	Very high	75.2	Confident	44 Å²	44	53.6 Å²	53.6	21%	0.206	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134	163.4	-159	172	23.4	0	0	108.8	D722 A723 S764 T765 I767	Q633-D722 WeakPolarHBondContact CG-OD1 3.49Å; Q633-D722 VanDerWaalsContact NE2-CG 3.3Å; Q633-D722 PolarHBondContact NE2-OD1 2.83Å; Q633-D722 PolarHBondContact NE2-OD2 3.03Å; Q633-A723 CarbonylContact C-O 3.52Å; Q633-A723 WeakPolarHBondContact CA-O 3.26Å; Q633-S764 CarbonylContact O-C 3.56Å; Q633-S764 VanDerWaalsContact O-CA 3.22Å; Q633-S764 WeakPolarHBondContact O-CA 3.29Å; Q633-T765 PolarHBondContact N-O 3.34Å; Q633-T765 PolarHBondContact O-N 2.85Å; Q633-I767 HydrophobicContact CB-CD1 3.54Å; Q633-I767 HydrophobicContact CB-CG1 3.84Å; Q633-I767 HydrophobicContact CG-CD1 4.23Å
634	V	95	Very high	77.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.2	171.3	-176.7	0	0	0	0	108.7	L672 D722 A723 I725 F740 L744 I762 E763	V634-L672 HydrophobicContact CB-CD1 4.14Å; V634-L672 HydrophobicContact CG1-CD1 4.06Å; V634-L672 HydrophobicContact CG1-CD2 3.75Å; V634-D722 WeakPolarHBondContact O-CA 3.15Å; V634-A723 PolarHBondContact N-O 2.89Å; V634-A723 PolarHBondContact O-N 3.39Å; V634-I725 HydrophobicContact CG2-CD1 3.83Å; V634-I725 HydrophobicContact CG2-CG1 3.98Å; V634-F740 HydrophobicContact CG2-CE1 3.82Å; V634-F740 HydrophobicContact CG2-CZ 4.18Å; V634-L744 HydrophobicContact CG1-CD2 3.86Å; V634-L744 HydrophobicContact CG2-CD2 4.01Å; V634-I762 HydrophobicContact CG1-CG2 3.92Å; V634-E763 CarbonylContact C-O 3.46Å; V634-E763 WeakPolarHBondContact CA-O 3.44Å
635	K	94.1	Very high	80.1	Confident	65 Å²	65	48.3 Å²	48.3	28%	0.283	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.2	172.5	-66.3	179.9	-175.2	169.8	0	109.1	G721 D722 I762 E763	K635-G721 VanDerWaalsContact CA-O 3.23Å; K635-G721 WeakPolarHBondContact CA-O 3.3Å; K635-D722 HydrophobicContact CG-CB 4.34Å; K635-I762 CarbonylContact O-C 3.48Å; K635-I762 WeakPolarHBondContact O-CA 3.31Å; K635-E763 PolarHBondContact N-O 3.32Å; K635-E763 PolarHBondContact O-N 2.9Å
636	A	93.3	Very high	82.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	146.9	175.8	0	0	0	0	0	111.4	Y668 Q720 G721 L759 I762	A636-Y668 HydrophobicContact CB-CE2 4.12Å; A636-Y668 WeakPolarHBondContact CB-OH 3.45Å; A636-Y668 PolarHBondContact N-OH 2.76Å; A636-Y668 VanDerWaalsContact N-OH 3.09Å; A636-Q720 CarbonylContact O-C 3.21Å; A636-Q720 WeakPolarHBondContact O-CA 3.45Å; A636-G721 PolarHBondContact N-O 3.34Å; A636-G721 PolarHBondContact O-N 2.78Å; A636-L759 HydrophobicContact CB-CB 3.95Å; A636-L759 HydrophobicContact CB-CD1 4.23Å; A636-L759 HydrophobicContact CB-CD2 4.35Å; A636-L759 HydrophobicContact CB-CG 4.4Å; A636-I762 HydrophobicContact CB-CB 4.28Å; A636-I762 HydrophobicContact CB-CG1 3.85Å; A636-I762 HydrophobicContact CB-CG2 4.5Å
637	I	92.1	Very high	84.1	Confident	20 Å²	20	43.8 Å²	43.8	10%	0.103	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135	177.1	-51.1	-176.7	0	0	0	109.2	Y646 L699 A718 Q720 L759 S760	I637-Y646 HydrophobicContact CG2-CD1 3.59Å; I637-Y646 HydrophobicContact CG2-CE1 3.87Å; I637-L699 HydrophobicContact CD1-CD1 4.09Å; I637-L699 HydrophobicContact CD1-CD2 3.71Å; I637-L699 HydrophobicContact CD1-CG 4.31Å; I637-L699 HydrophobicContact CG2-CD1 4.26Å; I637-A718 HydrophobicContact CG2-CB 3.7Å; I637-Q720 HydrophobicContact CG1-CB 4.39Å; I637-Q720 HydrophobicContact CG1-CG 4.26Å; I637-L759 CarbonylContact O-C 3.58Å; I637-L759 WeakPolarHBondContact O-CA 3.04Å; I637-S760 PolarHBondContact N-O 3.01Å; I637-S760 PolarHBondContact O-N 2.82Å
638	I	91.3	Very high	85.4	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.8	-175.8	-48.9	177.6	0	0	0	109.9	V647 L664 Y668 F694 V719 N757 L759	I638-V647 HydrophobicContact CB-CB 4.35Å; I638-V647 HydrophobicContact CB-CG2 4.16Å; I638-V647 HydrophobicContact CG2-CB 4.36Å; I638-V647 HydrophobicContact CG2-CG2 3.66Å; I638-V647 PolarHBondContact O-N 2.77Å; I638-L664 HydrophobicContact CD1-CD1 4.04Å; I638-L664 HydrophobicContact CD1-CD2 4.01Å; I638-L664 HydrophobicContact CD1-CG 3.99Å; I638-L664 HydrophobicContact CG2-CD1 4.32Å; I638-Y668 HydrophobicContact CD1-CD2 3.71Å; I638-Y668 HydrophobicContact CD1-CE2 4.33Å; I638-Y668 HydrophobicContact CG1-CD2 3.88Å; I638-Y668 HydrophobicContact CG1-CE2 4.14Å; I638-F694 HydrophobicContact CD1-CD1 4.18Å; I638-F694 HydrophobicContact CD1-CE1 3.66Å; I638-V719 HydrophobicContact CD1-CG1 4.01Å; I638-V719 PolarHBondContact N-O 3.45Å; I638-N757 HydrophobicContact CG2-CB 3.82Å; I638-L759 HydrophobicContact CG1-CD2 4.25Å
639	Y	86.1	Confident	86.3	Confident	46 Å²	46	45.7 Å²	45.7	18%	0.18	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.3	178	-164.4	-74.4	0	0	0	109.9	G644 K645 Y646 N757 Y758	Y639-G644 PolarHBondContact OH-O 2.9Å; Y639-K645 WeakPolarHBondContact CD1-O 3.21Å; Y639-K645 VanDerWaalsContact CE1-N 3.26Å; Y639-Y646 AromaticContact CD2-CD1 3.57Å; Y639-Y646 HydrophobicContact CD2-CD1 3.57Å; Y639-Y646 HydrophobicContact CD2-CD2 4.19Å; Y639-Y646 AromaticContact CD2-CE1 3.7Å; Y639-Y646 HydrophobicContact CD2-CE1 3.7Å; Y639-Y646 HydrophobicContact CD2-CE2 4.29Å; Y639-Y646 AromaticContact CD2-CG 3.82Å; Y639-Y646 HydrophobicContact CD2-CG 3.82Å; Y639-Y646 HydrophobicContact CE2-CD1 4.43Å; Y639-Y646 HydrophobicContact CE2-CD2 4.28Å; Y639-Y646 HydrophobicContact CE2-CE1 4.43Å; Y639-Y646 HydrophobicContact CE2-CE2 4.26Å; Y639-Y646 HydrophobicContact CE2-CG 4.35Å; Y639-Y646 HydrophobicContact CG-CD1 4.41Å; Y639-N757 CarbonylContact O-C 3.57Å; Y639-N757 WeakPolarHBondContact O-CA 3.33Å; Y639-Y758 AromaticContact CD1-CD1 3.75Å; Y639-Y758 HydrophobicContact CD1-CD1 3.75Å; Y639-Y758 AromaticContact CD1-CE1 2.9Å; Y639-Y758 HydrophobicContact CD1-CE1 2.9Å; Y639-Y758 HydrophobicContact CD1-CE2 4.09Å; Y639-Y758 AromaticContact CD1-CZ 3.09Å; Y639-Y758 WeakPolarHBondContact CD1-OH 3.28Å; Y639-Y758 HydrophobicContact CD2-CE2 4.45Å; Y639-Y758 AromaticContact CD2-CZ 3.93Å; Y639-Y758 WeakPolarHBondContact CD2-OH 2.94Å; Y639-Y758 AromaticContact CE1-CE1 3.37Å; Y639-Y758 HydrophobicContact CE1-CE1 3.37Å; Y639-Y758 AromaticContact CE1-CZ 3.49Å; Y639-Y758 VanDerWaalsContact CE1-CZ 3.49Å; Y639-Y758 WeakPolarHBondContact CE1-OH 3.26Å; Y639-Y758 WeakPolarHBondContact CE2-OH 3.24Å; Y639-Y758 HydrophobicContact CG-CD1 4.27Å; Y639-Y758 AromaticContact CG-CE1 3.55Å; Y639-Y758 HydrophobicContact CG-CE1 3.55Å; Y639-Y758 AromaticContact CG-CE2 3.84Å; Y639-Y758 HydrophobicContact CG-CE2 3.84Å; Y639-Y758 AromaticContact CG-CZ 3.26Å; Y639-Y758 VanDerWaalsContact CG-OH 3.25Å; Y639-Y758 PolarHBondContact N-O 2.89Å; Y639-Y758 PolarHBondContact O-N 2.96Å
640	A	82.8	Confident	86.9	Confident	11 Å²	11	45.5 Å²	45.5	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123	179.1	0	0	0	0	0	110	S642 G644 K645 V647	A640-S642 VanDerWaalsContact C-N 3.29Å; A640-S642 PolarHBondContact O-N 2.94Å; A640-G644 PolarHBondContact O-N 2.94Å; A640-K645 PolarHBondContact N-O 3.44Å; A640-V647 HydrophobicContact CB-CG2 4.02Å
641	F	75	Confident	87.1	Confident	111 Å²	111	51.4 Å²	51.4	49%	0.487	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-40.1	177.8	-167.6	-87.3	0	0	0	111.4	T643 G644 G756	F641-T643 VanDerWaalsContact C-N 3.32Å; F641-T643 PolarHBondContact O-N 2.56Å; F641-G644 PolarHBondContact O-N 3.24Å; F641-G756 WeakPolarHBondContact CB-O 2.95Å; F641-G756 PolarHBondContact N-O 2.96Å
642	S	74.9	Confident	87.2	Confident	108 Å²	108	54.1 Å²	54.1	76%	0.755	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.7	-176.6	55.4	0	0	0	0	114.1	A640	A640-S642 VanDerWaalsContact C-N 3.29Å; A640-S642 PolarHBondContact O-N 2.94Å
643	T	75.3	Confident	87.1	Confident	86 Å²	86	55.9 Å²	55.9	53%	0.528	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-13.1	-178.1	58.8	0	0	0	0	113	F641 K645	F641-T643 VanDerWaalsContact C-N 3.32Å; F641-T643 PolarHBondContact O-N 2.56Å; T643-K645 PolarHBondContact O-N 2.83Å; T643-K645 PolarHBondContact OG1-N 3.09Å
644	G	77	Confident	86.9	Confident	40 Å²	40	57.3 Å²	57.3	41%	0.412	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	32.5	-169	0	0	0	0	0	111.7	Y639 A640 F641	Y639-G644 PolarHBondContact OH-O 2.9Å; A640-G644 PolarHBondContact O-N 2.94Å; F641-G644 PolarHBondContact O-N 3.24Å
645	K	83	Confident	86.6	Confident	146 Å²	146	60.9 Å²	60.9	64%	0.635	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	157.7	-177.8	-66.6	-178.5	-175.8	179.9	0	111.7	Y639 A640 T643	Y639-K645 WeakPolarHBondContact CD1-O 3.21Å; Y639-K645 VanDerWaalsContact CE1-N 3.26Å; A640-K645 PolarHBondContact N-O 3.44Å; T643-K645 PolarHBondContact O-N 2.83Å; T643-K645 PolarHBondContact OG1-N 3.09Å
646	Y	86	Confident	86.4	Confident	51 Å²	51	63.7 Å²	63.7	20%	0.2	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	141.1	168.7	-66.7	-75	0	0	0	110.6	I637 Y639 T648 L699 L701 A718	I637-Y646 HydrophobicContact CG2-CD1 3.59Å; I637-Y646 HydrophobicContact CG2-CE1 3.87Å; Y639-Y646 AromaticContact CD2-CD1 3.57Å; Y639-Y646 HydrophobicContact CD2-CD1 3.57Å; Y639-Y646 HydrophobicContact CD2-CD2 4.19Å; Y639-Y646 AromaticContact CD2-CE1 3.7Å; Y639-Y646 HydrophobicContact CD2-CE1 3.7Å; Y639-Y646 HydrophobicContact CD2-CE2 4.29Å; Y639-Y646 AromaticContact CD2-CG 3.82Å; Y639-Y646 HydrophobicContact CD2-CG 3.82Å; Y639-Y646 HydrophobicContact CE2-CD1 4.43Å; Y639-Y646 HydrophobicContact CE2-CD2 4.28Å; Y639-Y646 HydrophobicContact CE2-CE1 4.43Å; Y639-Y646 HydrophobicContact CE2-CE2 4.26Å; Y639-Y646 HydrophobicContact CE2-CG 4.35Å; Y639-Y646 HydrophobicContact CG-CD1 4.41Å; Y646-T648 PolarHBondContact O-N 3.02Å; Y646-T648 VanDerWaalsContact O-N 3.12Å; Y646-L699 HydrophobicContact CD1-CD1 3.78Å; Y646-L699 HydrophobicContact CD2-CD1 3.73Å; Y646-L699 HydrophobicContact CE1-CD1 3.61Å; Y646-L699 HydrophobicContact CE2-CD1 3.57Å; Y646-L699 HydrophobicContact CG-CD1 3.84Å; Y646-L701 HydrophobicContact CE2-CD2 4.18Å; Y646-A718 HydrophobicContact CD1-CB 4.28Å; Y646-A718 HydrophobicContact CG-CB 4.13Å
647	V	87.3	Confident	86.2	Confident	16 Å²	16	68.2 Å²	68.2	10%	0.097	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-63.4	116.7	172.4	177	0	0	0	0	107.4	I638 A640 Y653 A718 V719	I638-V647 HydrophobicContact CB-CB 4.35Å; I638-V647 HydrophobicContact CB-CG2 4.16Å; I638-V647 HydrophobicContact CG2-CB 4.36Å; I638-V647 HydrophobicContact CG2-CG2 3.66Å; I638-V647 PolarHBondContact O-N 2.77Å; A640-V647 HydrophobicContact CB-CG2 4.02Å; V647-Y653 HydrophobicContact CG1-CE2 4.21Å; V647-A718 CarbonylContact O-C 3.5Å; V647-A718 WeakPolarHBondContact O-CA 3.34Å; V647-V719 HydrophobicContact CB-CB 4.5Å; V647-V719 HydrophobicContact CB-CG2 4.41Å; V647-V719 HydrophobicContact CG1-CB 4.43Å; V647-V719 HydrophobicContact CG1-CG2 3.95Å; V647-V719 WeakPolarHBondContact O-CG2 3.29Å; V647-V719 PolarHBondContact O-N 3.49Å
648	T	88.2	Confident	86.2	Confident	94 Å²	94	68.1 Å²	68.1	58%	0.577	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-68.9	139.8	-179.3	49.1	0	0	0	0	110.6	Y646 S650 D717	Y646-T648 PolarHBondContact O-N 3.02Å; Y646-T648 VanDerWaalsContact O-N 3.12Å; T648-S650 PolarHBondContact O-N 3.29Å; T648-D717 WeakPolarHBondContact CA-O 3.43Å
649	W	90.8	Very high	86.2	Confident	49 Å²	49	72.6 Å²	72.6	19%	0.186	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-59.6	128.8	176.1	-179.6	-94.7	0	0	0	111.6	A654 F694 I695 R696 D717 V719	W649-A654 HydrophobicContact CZ2-CB 4.26Å; W649-F694 HydrophobicContact CH2-CB 4.39Å; W649-F694 HydrophobicContact CZ3-CB 3.93Å; W649-I695 VanDerWaalsContact CZ3-C 3.48Å; W649-R696 HydrophobicContact CB-CG 4.03Å; W649-R696 HydrophobicContact CD2-CB 3.6Å; W649-R696 HydrophobicContact CD2-CG 3.83Å; W649-R696 HydrophobicContact CE3-CB 3.67Å; W649-R696 HydrophobicContact CE3-CG 4.24Å; W649-R696 HydrophobicContact CG-CB 4.05Å; W649-R696 HydrophobicContact CG-CG 3.7Å; W649-R696 HydrophobicContact CH2-CB 4.37Å; W649-R696 HydrophobicContact CZ2-CB 4.3Å; W649-R696 HydrophobicContact CZ3-CB 4.07Å; W649-R696 VanDerWaalsContact CZ3-N 3.33Å; W649-D717 HydrophobicContact CB-CB 4.2Å; W649-V719 HydrophobicContact CE3-CG2 4.06Å
650	S	90.3	Very high	86.3	Confident	39 Å²	39	71.8 Å²	71.8	27%	0.273	41%	0.413	S	S	.	.			trans	-115.5	148.2	164.4	178.7	0	0	0	0	108.9	T648 D652 Y653	T648-S650 PolarHBondContact O-N 3.29Å; S650-D652 PolarHBondContact O-N 2.87Å; S650-D652 PolarHBondContact OG-N 3.14Å; S650-D652 PolarHBondContact OG-OD2 2.92Å; S650-Y653 WeakPolarHBondContact O-CB 3.25Å; S650-Y653 WeakPolarHBondContact O-CD2 3.22Å; S650-Y653 PolarHBondContact O-N 3.43Å; S650-Y653 VanDerWaalsContact O-N 3.14Å
651	N	90.5	Very high	86.8	Confident	124 Å²	124	72 Å²	72	66%	0.663	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-63.8	-20	173.1	-68.8	-29.7	0	0	0	112.4	Y653 A654	N651-Y653 PolarHBondContact O-N 2.54Å; N651-A654 WeakPolarHBondContact O-CB 3.41Å; N651-A654 PolarHBondContact O-N 3.11Å
652	D	90.4	Very high	87.5	Confident	86 Å²	86	72.1 Å²	72.1	46%	0.46	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-62.5	-25.5	174.6	-53.4	-45.3	0	0	0	112.5	S650 A654 D655 S658 A660	S650-D652 PolarHBondContact O-N 2.87Å; S650-D652 PolarHBondContact OG-N 3.14Å; S650-D652 PolarHBondContact OG-OD2 2.92Å; D652-A654 PolarHBondContact O-N 3.33Å; D652-D655 PolarHBondContact O-N 3.21Å; D652-S658 PolarHBondContact O-OG 2.68Å; D652-A660 HydrophobicContact CB-CB 3.9Å
653	Y	91.5	Very high	88.3	Confident	37 Å²	37	71 Å²	71	15%	0.145	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-76.8	-8.8	176.6	-56.2	-44.2	0	0	0	113.5	V647 S650 N651 A660 Y661 L664 F694 V719	V647-Y653 HydrophobicContact CG1-CE2 4.21Å; S650-Y653 WeakPolarHBondContact O-CB 3.25Å; S650-Y653 WeakPolarHBondContact O-CD2 3.22Å; S650-Y653 PolarHBondContact O-N 3.43Å; S650-Y653 VanDerWaalsContact O-N 3.14Å; N651-Y653 PolarHBondContact O-N 2.54Å; Y653-A660 HydrophobicContact CD1-CB 4.45Å; Y653-A660 HydrophobicContact CE1-CB 4.05Å; Y653-Y661 VanDerWaalsContact O-CD2 3.28Å; Y653-Y661 WeakPolarHBondContact O-CD2 2.89Å; Y653-L664 HydrophobicContact CD1-CD2 3.79Å; Y653-L664 HydrophobicContact CE1-CB 4.13Å; Y653-L664 HydrophobicContact CE1-CD2 3.4Å; Y653-L664 HydrophobicContact CE1-CG 4.39Å; Y653-L664 HydrophobicContact CE2-CD2 4.2Å; Y653-L664 HydrophobicContact CG-CD2 4.34Å; Y653-F694 HydrophobicContact CD1-CD2 4.4Å; Y653-F694 HydrophobicContact CG-CD2 4.4Å; Y653-V719 HydrophobicContact CD2-CG1 4.5Å; Y653-V719 HydrophobicContact CD2-CG2 3.56Å; Y653-V719 HydrophobicContact CE2-CG2 3.62Å
654	A	89.4	Confident	89	Confident	73 Å²	73	67.4 Å²	67.4	60%	0.603	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-25.6	169.6	0	0	0	0	0	112.2	W649 N651 D652	W649-A654 HydrophobicContact CZ2-CB 4.26Å; N651-A654 WeakPolarHBondContact O-CB 3.41Å; N651-A654 PolarHBondContact O-N 3.11Å; D652-A654 PolarHBondContact O-N 3.33Å
655	D	89.8	Confident	89.7	Confident	76 Å²	76	66.5 Å²	66.5	41%	0.406	37%	0.365	S	S	.	.			trans	-93.9	110.5	178.8	178.1	7.2	0	0	0	111.5	D652 T657 S658 Y661	D652-D655 PolarHBondContact O-N 3.21Å; D655-T657 VanDerWaalsContact CG-OG1 3.26Å; D655-T657 PolarHBondContact O-N 3.26Å; D655-T657 VanDerWaalsContact O-N 3.13Å; D655-T657 WeakPolarHBondContact OD1-CB 3.5Å; D655-T657 PolarHBondContact OD1-N 2.91Å; D655-T657 PolarHBondContact OD1-OG1 2.97Å; D655-T657 PolarHBondContact OD2-OG1 2.81Å; D655-S658 WeakPolarHBondContact O-CB 3.45Å; D655-S658 PolarHBondContact O-N 2.95Å; D655-S658 PolarHBondContact O-OG 3.19Å; D655-S658 VanDerWaalsContact O-OG 3.11Å; D655-Y661 WeakPolarHBondContact O-CB 3.45Å
656	K	89.5	Confident	90.1	Very high	123 Å²	123	63.4 Å²	63.4	54%	0.535	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.6	179.3	-62.3	-169.1	172.1	-169.6	0	114	Y661 N692	K656-Y661 HydrophobicContact CB-CD1 4.28Å; K656-Y661 HydrophobicContact CB-CE1 4.08Å; K656-Y661 HydrophobicContact CG-CE1 4.04Å; K656-Y661 HydrophobicContact CG-CE2 4.07Å; K656-N692 WeakPolarHBondContact CE-O 3.39Å; K656-N692 PolarHBondContact NZ-O 2.81Å
657	T	89.1	Confident	90.2	Very high	95 Å²	95	64.3 Å²	64.3	58%	0.583	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-19	-178.3	71.9	0	0	0	0	113	D655 K662	D655-T657 VanDerWaalsContact CG-OG1 3.26Å; D655-T657 PolarHBondContact O-N 3.26Å; D655-T657 VanDerWaalsContact O-N 3.13Å; D655-T657 WeakPolarHBondContact OD1-CB 3.5Å; D655-T657 PolarHBondContact OD1-N 2.91Å; D655-T657 PolarHBondContact OD1-OG1 2.97Å; D655-T657 PolarHBondContact OD2-OG1 2.81Å; T657-K662 WeakPolarHBondContact O-CE 3.32Å; T657-K662 PolarHBondContact O-NZ 2.64Å
658	S	92.8	Very high	90.4	Very high	18 Å²	18	63.7 Å²	63.7	13%	0.126	36%	0.363	C	S	.	.	S	Bend	trans	-63	147.2	-177.5	84.5	0	0	0	0	111.9	D652 D655 A660 Y661 K662	D652-S658 PolarHBondContact O-OG 2.68Å; D655-S658 WeakPolarHBondContact O-CB 3.45Å; D655-S658 PolarHBondContact O-N 2.95Å; D655-S658 PolarHBondContact O-OG 3.19Å; D655-S658 VanDerWaalsContact O-OG 3.11Å; S658-A660 VanDerWaalsContact C-N 3.27Å; S658-A660 PolarHBondContact O-N 2.88Å; S658-Y661 PolarHBondContact O-N 3.36Å; S658-Y661 WeakPolarHBondContact OG-CB 3.32Å; S658-Y661 PolarHBondContact OG-N 3.42Å; S658-K662 WeakPolarHBondContact O-CG 3.01Å; S658-K662 PolarHBondContact O-N 3.43Å; S658-K662 VanDerWaalsContact O-N 3.09Å
659	S	91	Very high	90.7	Very high	96 Å²	96	59.9 Å²	59.9	67%	0.671	34%	0.34	S	S	*	.	H	α-helix	trans	-64.3	-35.5	176.2	53.9	0	0	0	0	111.6	K662 T663	S659-K662 PolarHBondContact O-N 3.07Å; S659-T663 WeakPolarHBondContact O-CB 3.2Å; S659-T663 PolarHBondContact O-N 2.9Å; S659-T663 PolarHBondContact O-OG1 2.97Å
660	A	87.8	Confident	90.6	Very high	29 Å²	29	60.3 Å²	60.3	24%	0.24	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-45.6	176.1	0	0	0	0	0	111.7	D652 Y653 S658 L664	D652-A660 HydrophobicContact CB-CB 3.9Å; Y653-A660 HydrophobicContact CD1-CB 4.45Å; Y653-A660 HydrophobicContact CE1-CB 4.05Å; S658-A660 VanDerWaalsContact C-N 3.27Å; S658-A660 PolarHBondContact O-N 2.88Å; A660-L664 VanDerWaalsContact O-CB 3.29Å; A660-L664 WeakPolarHBondContact O-CB 3.35Å; A660-L664 PolarHBondContact O-N 2.85Å
661	Y	92.4	Very high	90.6	Very high	14 Å²	14	59.5 Å²	59.5	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-51.5	175	-178.3	-82.3	0	0	0	111.3	Y653 D655 K656 S658 T663 L664 S665 L691 F694	Y653-Y661 VanDerWaalsContact O-CD2 3.28Å; Y653-Y661 WeakPolarHBondContact O-CD2 2.89Å; D655-Y661 WeakPolarHBondContact O-CB 3.45Å; K656-Y661 HydrophobicContact CB-CD1 4.28Å; K656-Y661 HydrophobicContact CB-CE1 4.08Å; K656-Y661 HydrophobicContact CG-CE1 4.04Å; K656-Y661 HydrophobicContact CG-CE2 4.07Å; S658-Y661 PolarHBondContact O-N 3.36Å; S658-Y661 WeakPolarHBondContact OG-CB 3.32Å; S658-Y661 PolarHBondContact OG-N 3.42Å; Y661-T663 PolarHBondContact O-N 2.91Å; Y661-L664 PolarHBondContact O-N 2.74Å; Y661-S665 WeakPolarHBondContact O-CB 3.46Å; Y661-S665 PolarHBondContact O-N 3Å; Y661-S665 PolarHBondContact O-OG 3.25Å; Y661-L691 HydrophobicContact CE1-CD2 4.3Å; Y661-L691 HydrophobicContact CE2-CD2 4.27Å; Y661-F694 AromaticContact CD2-CD2 3.54Å; Y661-F694 HydrophobicContact CD2-CD2 3.54Å; Y661-F694 AromaticContact CD2-CE2 3.77Å; Y661-F694 HydrophobicContact CD2-CE2 3.77Å; Y661-F694 AromaticContact CE2-CD2 3.56Å; Y661-F694 HydrophobicContact CE2-CD2 3.56Å; Y661-F694 AromaticContact CE2-CE2 3.91Å; Y661-F694 HydrophobicContact CE2-CE2 3.91Å; Y661-F694 HydrophobicContact CG-CD2 4.42Å; Y661-F694 HydrophobicContact CG-CE2 4.23Å
662	K	90.6	Very high	90.7	Very high	115 Å²	115	53.6 Å²	53.6	50%	0.5	31%	0.311	S	S	.	.	H	α-helix	trans	-57.9	-51.1	-178.7	-73.6	169.9	178.8	159.6	0	111.2	T657 S658 S659 L664 S665 T666	T657-K662 WeakPolarHBondContact O-CE 3.32Å; T657-K662 PolarHBondContact O-NZ 2.64Å; S658-K662 WeakPolarHBondContact O-CG 3.01Å; S658-K662 PolarHBondContact O-N 3.43Å; S658-K662 VanDerWaalsContact O-N 3.09Å; S659-K662 PolarHBondContact O-N 3.07Å; K662-L664 PolarHBondContact O-N 3.23Å; K662-S665 WeakPolarHBondContact CA-OG 3.3Å; K662-S665 PolarHBondContact O-N 3.39Å; K662-S665 PolarHBondContact O-OG 2.95Å; K662-T666 PolarHBondContact O-N 2.6Å; K662-T666 PolarHBondContact O-OG1 3.02Å; K662-T666 VanDerWaalsContact O-OG1 3.1Å
663	T	90.6	Very high	90.7	Very high	84 Å²	84	51.3 Å²	51.3	52%	0.515	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-48.9	179.8	-53.8	0	0	0	0	111.5	S659 Y661 S665 N667	S659-T663 WeakPolarHBondContact O-CB 3.2Å; S659-T663 PolarHBondContact O-N 2.9Å; S659-T663 PolarHBondContact O-OG1 2.97Å; Y661-T663 PolarHBondContact O-N 2.91Å; T663-S665 VanDerWaalsContact C-N 3.33Å; T663-S665 PolarHBondContact O-N 2.94Å; T663-N667 WeakPolarHBondContact O-CB 3.5Å; T663-N667 PolarHBondContact O-N 2.96Å; T663-N667 PolarHBondContact O-ND2 3.37Å
664	L	90.7	Very high	90.5	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-36	-179.7	-170.5	59.9	0	0	0	111.8	I638 Y653 A660 Y661 K662 N667 Y668 F694 V719 N757	I638-L664 HydrophobicContact CD1-CD1 4.04Å; I638-L664 HydrophobicContact CD1-CD2 4.01Å; I638-L664 HydrophobicContact CD1-CG 3.99Å; I638-L664 HydrophobicContact CG2-CD1 4.32Å; Y653-L664 HydrophobicContact CD1-CD2 3.79Å; Y653-L664 HydrophobicContact CE1-CB 4.13Å; Y653-L664 HydrophobicContact CE1-CD2 3.4Å; Y653-L664 HydrophobicContact CE1-CG 4.39Å; Y653-L664 HydrophobicContact CE2-CD2 4.2Å; Y653-L664 HydrophobicContact CG-CD2 4.34Å; A660-L664 VanDerWaalsContact O-CB 3.29Å; A660-L664 WeakPolarHBondContact O-CB 3.35Å; A660-L664 PolarHBondContact O-N 2.85Å; Y661-L664 PolarHBondContact O-N 2.74Å; K662-L664 PolarHBondContact O-N 3.23Å; L664-N667 PolarHBondContact O-N 2.81Å; L664-Y668 VanDerWaalsContact O-CB 3.31Å; L664-Y668 WeakPolarHBondContact O-CB 3.31Å; L664-Y668 PolarHBondContact O-N 3.36Å; L664-F694 HydrophobicContact CB-CE2 4.03Å; L664-F694 HydrophobicContact CB-CZ 3.79Å; L664-F694 HydrophobicContact CD2-CE1 4.04Å; L664-F694 HydrophobicContact CD2-CE2 4.05Å; L664-F694 HydrophobicContact CD2-CZ 3.77Å; L664-F694 HydrophobicContact CG-CE1 4.01Å; L664-F694 HydrophobicContact CG-CE2 4.1Å; L664-F694 HydrophobicContact CG-CZ 3.51Å; L664-V719 HydrophobicContact CD2-CG1 4.14Å; L664-N757 WeakPolarHBondContact CD1-ND2 3.49Å
665	S	91	Very high	90.4	Very high	21 Å²	21	51.1 Å²	51.1	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-67.5	-42.7	179.2	73	0	0	0	0	112.5	Y661 K662 T663 Y668 C669	Y661-S665 WeakPolarHBondContact O-CB 3.46Å; Y661-S665 PolarHBondContact O-N 3Å; Y661-S665 PolarHBondContact O-OG 3.25Å; K662-S665 WeakPolarHBondContact CA-OG 3.3Å; K662-S665 PolarHBondContact O-N 3.39Å; K662-S665 PolarHBondContact O-OG 2.95Å; T663-S665 VanDerWaalsContact C-N 3.33Å; T663-S665 PolarHBondContact O-N 2.94Å; S665-Y668 PolarHBondContact O-N 3.34Å; S665-C669 WeakPolarHBondContact O-CB 3.48Å; S665-C669 PolarHBondContact O-N 3.24Å
666	T	91.3	Very high	90.3	Very high	81 Å²	81	47.5 Å²	47.5	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-48.1	173.8	-58.6	0	0	0	0	109.7	K662 Y668 C669 S670	K662-T666 PolarHBondContact O-N 2.6Å; K662-T666 PolarHBondContact O-OG1 3.02Å; K662-T666 VanDerWaalsContact O-OG1 3.1Å; T666-Y668 VanDerWaalsContact C-N 3.34Å; T666-Y668 PolarHBondContact O-N 2.9Å; T666-C669 PolarHBondContact O-N 3.42Å; T666-S670 VanDerWaalsContact O-CB 3.26Å; T666-S670 WeakPolarHBondContact O-CB 3.49Å; T666-S670 PolarHBondContact O-N 2.71Å; T666-S670 PolarHBondContact O-OG 3.37Å
667	N	89.7	Confident	90.1	Very high	71 Å²	71	44.3 Å²	44.3	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-44.6	177.8	-69.1	-14.1	0	0	0	112.1	T663 L664 L671	T663-N667 WeakPolarHBondContact O-CB 3.5Å; T663-N667 PolarHBondContact O-N 2.96Å; T663-N667 PolarHBondContact O-ND2 3.37Å; L664-N667 PolarHBondContact O-N 2.81Å; N667-L671 WeakPolarHBondContact O-CB 3.32Å; N667-L671 WeakPolarHBondContact O-CD1 3.44Å; N667-L671 VanDerWaalsContact O-CG 3.25Å; N667-L671 WeakPolarHBondContact O-CG 3.4Å; N667-L671 PolarHBondContact O-N 3.46Å
668	Y	91.9	Very high	89.7	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-49.3	178.1	-173.7	-95.5	0	0	0	111.9	A636 I638 L664 S665 T666 L671 L672 L691 G721 A723 L759	A636-Y668 HydrophobicContact CB-CE2 4.12Å; A636-Y668 WeakPolarHBondContact CB-OH 3.45Å; A636-Y668 PolarHBondContact N-OH 2.76Å; A636-Y668 VanDerWaalsContact N-OH 3.09Å; I638-Y668 HydrophobicContact CD1-CD2 3.71Å; I638-Y668 HydrophobicContact CD1-CE2 4.33Å; I638-Y668 HydrophobicContact CG1-CD2 3.88Å; I638-Y668 HydrophobicContact CG1-CE2 4.14Å; L664-Y668 VanDerWaalsContact O-CB 3.31Å; L664-Y668 WeakPolarHBondContact O-CB 3.31Å; L664-Y668 PolarHBondContact O-N 3.36Å; S665-Y668 PolarHBondContact O-N 3.34Å; T666-Y668 VanDerWaalsContact C-N 3.34Å; T666-Y668 PolarHBondContact O-N 2.9Å; Y668-L671 PolarHBondContact O-N 2.8Å; Y668-L672 HydrophobicContact CD1-CD1 3.82Å; Y668-L672 HydrophobicContact CE1-CD1 3.33Å; Y668-L672 HydrophobicContact CE1-CG 4.27Å; Y668-L672 WeakPolarHBondContact O-CG 3.26Å; Y668-L672 PolarHBondContact O-N 2.96Å; Y668-L672 VanDerWaalsContact O-N 3.15Å; Y668-L691 HydrophobicContact CD1-CD1 3.55Å; Y668-L691 HydrophobicContact CE1-CD1 3.88Å; Y668-L691 HydrophobicContact CG-CD1 4.26Å; Y668-G721 PolarHBondContact OH-O 2.76Å; Y668-G721 VanDerWaalsContact OH-O 3.11Å; Y668-A723 HydrophobicContact CD1-CB 4.06Å; Y668-A723 HydrophobicContact CE1-CB 3.59Å; Y668-L759 HydrophobicContact CD2-CD2 3.56Å; Y668-L759 HydrophobicContact CE2-CD1 4.2Å; Y668-L759 HydrophobicContact CE2-CD2 3.51Å; Y668-L759 HydrophobicContact CE2-CG 4.5Å
669	C	92.5	Very high	89	Confident	13 Å²	13	44.7 Å²	44.7	9%	0.088	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-37.9	179.8	-92.4	0	0	0	0	113.2	S665 T666 L671 L672 L673 C689	S665-C669 WeakPolarHBondContact O-CB 3.48Å; S665-C669 PolarHBondContact O-N 3.24Å; T666-C669 PolarHBondContact O-N 3.42Å; C669-L671 VanDerWaalsContact C-N 3.33Å; C669-L671 PolarHBondContact O-N 3.13Å; C669-L672 PolarHBondContact O-N 3.33Å; C669-L673 WeakPolarHBondContact O-CB 3.27Å; C669-L673 WeakPolarHBondContact O-CG 3.34Å; C669-L673 PolarHBondContact O-N 3.42Å; C669-C689 WeakPolarHBondContact CA-SG 3.36Å; C669-C689 HydrophobicContact CB-CB 3.58Å; C669-C689 WeakPolarHBondContact CB-SG 3.23Å; C669-C689 WeakPolarHBondContact SG-CB 3.25Å; C669-C689 PolarHBondContact SG-O 3.05Å; C669-C689 VanDerWaalsContact SG-O 3.37Å; C669-C689 CovalentContact SG-SG 2.06Å; C669-C689 PolarHBondContact SG-SG 2.93Å
670	S	90.4	Very high	88.1	Confident	58 Å²	58	42.7 Å²	42.7	41%	0.406	24%	0.235	S	C	.	.	H	α-helix	trans	-60.7	-42.9	174.2	-68.5	0	0	0	0	111.1	T666 L672 L673 Q674	T666-S670 VanDerWaalsContact O-CB 3.26Å; T666-S670 WeakPolarHBondContact O-CB 3.49Å; T666-S670 PolarHBondContact O-N 2.71Å; T666-S670 PolarHBondContact O-OG 3.37Å; S670-L672 PolarHBondContact O-N 3.47Å; S670-L673 PolarHBondContact O-N 3.14Å; S670-Q674 VanDerWaalsContact O-CB 3.28Å; S670-Q674 WeakPolarHBondContact O-CB 3.47Å; S670-Q674 WeakPolarHBondContact O-CG 3.02Å; S670-Q674 PolarHBondContact O-N 2.76Å
671	L	90	Very high	87	Confident	23 Å²	23	45.3 Å²	45.3	12%	0.12	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-46.5	175.4	-74.7	165.1	0	0	0	111.8	N667 Y668 C669 Q674 S675 L753 N757 L759	N667-L671 WeakPolarHBondContact O-CB 3.32Å; N667-L671 WeakPolarHBondContact O-CD1 3.44Å; N667-L671 VanDerWaalsContact O-CG 3.25Å; N667-L671 WeakPolarHBondContact O-CG 3.4Å; N667-L671 PolarHBondContact O-N 3.46Å; Y668-L671 PolarHBondContact O-N 2.8Å; C669-L671 VanDerWaalsContact C-N 3.33Å; C669-L671 PolarHBondContact O-N 3.13Å; L671-Q674 PolarHBondContact O-N 3.19Å; L671-S675 WeakPolarHBondContact O-CB 3.27Å; L671-S675 PolarHBondContact O-N 3.21Å; L671-S675 PolarHBondContact O-OG 3.22Å; L671-L753 HydrophobicContact CD2-CD1 4.22Å; L671-L753 HydrophobicContact CD2-CD2 3.56Å; L671-N757 HydrophobicContact CD1-CB 4.32Å; L671-N757 WeakPolarHBondContact CD1-O 3.3Å; L671-L759 HydrophobicContact CB-CD1 4.44Å; L671-L759 HydrophobicContact CD1-CD2 4.42Å; L671-L759 HydrophobicContact CD1-CG 4.46Å
672	L	91.4	Very high	85.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-44.9	179.2	-71.9	-179.7	0	0	0	112.8	V634 Y668 C669 S670 S675 I676 A723 I725 L744 L759	V634-L672 HydrophobicContact CB-CD1 4.14Å; V634-L672 HydrophobicContact CG1-CD1 4.06Å; V634-L672 HydrophobicContact CG1-CD2 3.75Å; Y668-L672 HydrophobicContact CD1-CD1 3.82Å; Y668-L672 HydrophobicContact CE1-CD1 3.33Å; Y668-L672 HydrophobicContact CE1-CG 4.27Å; Y668-L672 WeakPolarHBondContact O-CG 3.26Å; Y668-L672 PolarHBondContact O-N 2.96Å; Y668-L672 VanDerWaalsContact O-N 3.15Å; C669-L672 PolarHBondContact O-N 3.33Å; S670-L672 PolarHBondContact O-N 3.47Å; L672-S675 WeakPolarHBondContact O-CB 3.22Å; L672-S675 PolarHBondContact O-N 2.93Å; L672-I676 PolarHBondContact O-N 3.06Å; L672-A723 HydrophobicContact CD1-CB 3.96Å; L672-I725 HydrophobicContact CB-CD1 3.76Å; L672-I725 HydrophobicContact CD1-CD1 4.13Å; L672-I725 HydrophobicContact CG-CD1 4.38Å; L672-L744 HydrophobicContact CD2-CD1 4.02Å; L672-L744 HydrophobicContact CD2-CD2 4.41Å; L672-L759 HydrophobicContact CD2-CD1 3.54Å; L672-L759 HydrophobicContact CG-CD1 4.04Å
673	L	90.3	Very high	84.7	Confident	38 Å²	38	49.6 Å²	49.6	20%	0.199	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-43.1	177.5	-70.9	177.8	0	0	0	111.8	C669 S670 S675 I676 L677 A687 C689	C669-L673 WeakPolarHBondContact O-CB 3.27Å; C669-L673 WeakPolarHBondContact O-CG 3.34Å; C669-L673 PolarHBondContact O-N 3.42Å; S670-L673 PolarHBondContact O-N 3.14Å; L673-S675 VanDerWaalsContact C-N 3.27Å; L673-S675 PolarHBondContact O-N 2.99Å; L673-I676 HydrophobicContact CD2-CD1 4Å; L673-I676 WeakPolarHBondContact O-CG1 3.38Å; L673-I676 PolarHBondContact O-N 3Å; L673-L677 WeakPolarHBondContact O-CB 3Å; L673-L677 WeakPolarHBondContact O-CD1 3.4Å; L673-L677 WeakPolarHBondContact O-CG 3.23Å; L673-L677 PolarHBondContact O-N 3.05Å; L673-A687 HydrophobicContact CD2-CB 3.93Å; L673-A687 WeakPolarHBondContact CD2-O 3.03Å; L673-C689 HydrophobicContact CD1-CB 3.91Å; L673-C689 HydrophobicContact CD2-CB 3.87Å; L673-C689 HydrophobicContact CG-CB 3.67Å
674	Q	88	Confident	83.8	Confident	105 Å²	105	45.6 Å²	45.6	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-63.4	-36.5	176.4	-70.5	-64	-8	0	0	111.7	S670 L671 L677 T678 L751	S670-Q674 VanDerWaalsContact O-CB 3.28Å; S670-Q674 WeakPolarHBondContact O-CB 3.47Å; S670-Q674 WeakPolarHBondContact O-CG 3.02Å; S670-Q674 PolarHBondContact O-N 2.76Å; L671-Q674 PolarHBondContact O-N 3.19Å; Q674-L677 PolarHBondContact O-N 2.79Å; Q674-T678 VanDerWaalsContact O-CB 3.32Å; Q674-T678 WeakPolarHBondContact O-CB 3.28Å; Q674-T678 PolarHBondContact O-N 2.81Å; Q674-T678 PolarHBondContact O-OG1 2.96Å; Q674-L751 HydrophobicContact CB-CD1 4.34Å; Q674-L751 HydrophobicContact CB-CD2 4.08Å
675	S	88.2	Confident	82.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-52.7	177	-57.3	0	0	0	0	110.8	L671 L672 L673 T678 G747 Y748 L751	L671-S675 WeakPolarHBondContact O-CB 3.27Å; L671-S675 PolarHBondContact O-N 3.21Å; L671-S675 PolarHBondContact O-OG 3.22Å; L672-S675 WeakPolarHBondContact O-CB 3.22Å; L672-S675 PolarHBondContact O-N 2.93Å; L673-S675 VanDerWaalsContact C-N 3.27Å; L673-S675 PolarHBondContact O-N 2.99Å; S675-T678 PolarHBondContact O-N 2.79Å; S675-G747 CarbonylContact O-C 3.53Å; S675-G747 WeakPolarHBondContact O-CA 3.39Å; S675-Y748 WeakPolarHBondContact OG-CD2 3.39Å; S675-L751 VanDerWaalsContact OG-CD1 3.24Å; S675-L751 WeakPolarHBondContact OG-CD1 3.11Å
676	I	86.9	Confident	82.1	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.1	-35.4	-178	62.8	175.5	0	0	0	112.6	L672 L673 T678 E679 N680 T684 A687 I725 L727 F740 L743 L744	L672-I676 PolarHBondContact O-N 3.06Å; L673-I676 HydrophobicContact CD2-CD1 4Å; L673-I676 WeakPolarHBondContact O-CG1 3.38Å; L673-I676 PolarHBondContact O-N 3Å; I676-T678 VanDerWaalsContact C-N 3.34Å; I676-E679 PolarHBondContact O-N 2.97Å; I676-N680 PolarHBondContact O-N 2.94Å; I676-T684 HydrophobicContact CB-CG2 3.76Å; I676-T684 HydrophobicContact CD1-CG2 4.18Å; I676-T684 HydrophobicContact CG1-CG2 4.05Å; I676-T684 PolarHBondContact O-OG1 3.23Å; I676-A687 HydrophobicContact CD1-CB 3.59Å; I676-I725 HydrophobicContact CD1-CG2 3.85Å; I676-L727 HydrophobicContact CD1-CD2 3.95Å; I676-F740 HydrophobicContact CG2-CE2 4.3Å; I676-L743 HydrophobicContact CB-CD2 4.35Å; I676-L743 HydrophobicContact CG2-CD2 4.48Å; I676-L744 HydrophobicContact CG2-CB 4.3Å; I676-L744 HydrophobicContact CG2-CD1 3.67Å
677	L	84.6	Confident	81.8	Confident	56 Å²	56	49.9 Å²	49.9	29%	0.293	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-36.1	177.8	-74.9	166.3	0	0	0	112.1	L673 Q674 E679 T681 T684	L673-L677 WeakPolarHBondContact O-CB 3Å; L673-L677 WeakPolarHBondContact O-CD1 3.4Å; L673-L677 WeakPolarHBondContact O-CG 3.23Å; L673-L677 PolarHBondContact O-N 3.05Å; Q674-L677 PolarHBondContact O-N 2.79Å; L677-E679 VanDerWaalsContact C-N 3.31Å; L677-E679 PolarHBondContact O-N 2.92Å; L677-T681 VanDerWaalsContact O-CG2 3.27Å; L677-T681 WeakPolarHBondContact O-CG2 3.19Å; L677-T684 WeakPolarHBondContact CA-OG1 3.33Å; L677-T684 WeakPolarHBondContact CD2-OG1 3.13Å
678	T	82.4	Confident	81.8	Confident	63 Å²	63	49.7 Å²	49.7	39%	0.387	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-36.4	179	-60.8	0	0	0	0	111.9	Q674 S675 I676 K750 L751	Q674-T678 VanDerWaalsContact O-CB 3.32Å; Q674-T678 WeakPolarHBondContact O-CB 3.28Å; Q674-T678 PolarHBondContact O-N 2.81Å; Q674-T678 PolarHBondContact O-OG1 2.96Å; S675-T678 PolarHBondContact O-N 2.79Å; I676-T678 VanDerWaalsContact C-N 3.34Å; T678-K750 HydrophobicContact CG2-CB 3.71Å; T678-K750 HydrophobicContact CG2-CD 4.34Å; T678-L751 WeakPolarHBondContact OG1-CD2 3.33Å
679	E	77.5	Confident	81.8	Confident	59 Å²	59	50.6 Å²	50.6	28%	0.276	28%	0.279	S	S	.	.	H	α-helix	trans	-81.7	-44.2	-178.9	-171.6	64.9	-173.4	0	0	112.8	I676 L677 L743 N746 K750	I676-E679 PolarHBondContact O-N 2.97Å; L677-E679 VanDerWaalsContact C-N 3.31Å; L677-E679 PolarHBondContact O-N 2.92Å; E679-L743 HydrophobicContact CB-CD1 3.77Å; E679-L743 HydrophobicContact CB-CG 4.23Å; E679-L743 HydrophobicContact CG-CD1 3.46Å; E679-L743 VanDerWaalsContact CG-CD1 3.46Å; E679-L743 HydrophobicContact CG-CG 4.22Å; E679-N746 HydrophobicContact CG-CB 4.24Å; E679-K750 IonicContact OE1-NZ 2.66Å; E679-K750 WeakPolarHBondContact OE2-CD 3.28Å; E679-K750 VanDerWaalsContact OE2-CE 3.31Å; E679-K750 WeakPolarHBondContact OE2-CE 3.37Å; E679-K750 IonicContact OE2-NZ 3.62Å; E679-K750 PolarHBondContact OE2-NZ 3.47Å
680	N	71.4	Confident	81.8	Confident	54 Å²	54	54 Å²	54	29%	0.289	30%	0.3	S	S	.	.			trans	-150.4	95.7	-177.9	-168.3	-34.4	0	0	0	112.5	I676 R682 I683 T684 L743	I676-N680 PolarHBondContact O-N 2.94Å; N680-R682 VanDerWaalsContact C-N 3.29Å; N680-R682 PolarHBondContact O-N 3.11Å; N680-R682 PolarHBondContact OD1-N 2.68Å; N680-R682 VanDerWaalsContact OD1-N 3.15Å; N680-I683 WeakPolarHBondContact ND2-CD1 3.21Å; N680-I683 PolarHBondContact OD1-N 2.75Å; N680-T684 WeakPolarHBondContact O-CB 3.23Å; N680-T684 WeakPolarHBondContact O-CG2 3.25Å; N680-T684 PolarHBondContact O-N 3.15Å; N680-T684 PolarHBondContact O-OG1 2.99Å; N680-L743 HydrophobicContact CB-CD1 3.69Å
681	T	66	Low	81.9	Confident	84 Å²	84	52.2 Å²	52.2	52%	0.515	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-29.2	-179	55.4	0	0	0	0	113.7	L677 Q685	L677-T681 VanDerWaalsContact O-CG2 3.27Å; L677-T681 WeakPolarHBondContact O-CG2 3.19Å; T681-Q685 VanDerWaalsContact O-CB 3.28Å; T681-Q685 WeakPolarHBondContact O-CB 3.16Å; T681-Q685 PolarHBondContact O-N 3.05Å; T681-Q685 VanDerWaalsContact O-N 3.08Å
682	R	67.1	Low	81.9	Confident	159 Å²	159	53 Å²	53	60%	0.6	29%	0.29	S	S	*	.	H	α-helix	trans	-75.6	-44.4	-174.8	-69.7	-172.3	-178.4	-166.4	1	113.1	N680	N680-R682 VanDerWaalsContact C-N 3.29Å; N680-R682 PolarHBondContact O-N 3.11Å; N680-R682 PolarHBondContact OD1-N 2.68Å; N680-R682 VanDerWaalsContact OD1-N 3.15Å
683	I	67.4	Low	81.9	Confident	59 Å²	59	60 Å²	60	30%	0.303	32%	0.316	S	S	.	.	H	α-helix	trans	-76.2	-31.1	-178.5	-59.6	177.9	0	0	0	110.9	N680 T729 L735	N680-I683 WeakPolarHBondContact ND2-CD1 3.21Å; N680-I683 PolarHBondContact OD1-N 2.75Å; I683-T729 HydrophobicContact CG2-CG2 4.3Å; I683-L735 HydrophobicContact CG2-CD1 4.07Å; I683-L735 HydrophobicContact CG2-CG 4.38Å
684	T	70.5	Confident	82.2	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-99.5	1.7	-173.6	65.4	0	0	0	0	113	I676 L677 N680 G686 A687 L727 L743	I676-T684 HydrophobicContact CB-CG2 3.76Å; I676-T684 HydrophobicContact CD1-CG2 4.18Å; I676-T684 HydrophobicContact CG1-CG2 4.05Å; I676-T684 PolarHBondContact O-OG1 3.23Å; L677-T684 WeakPolarHBondContact CA-OG1 3.33Å; L677-T684 WeakPolarHBondContact CD2-OG1 3.13Å; N680-T684 WeakPolarHBondContact O-CB 3.23Å; N680-T684 WeakPolarHBondContact O-CG2 3.25Å; N680-T684 PolarHBondContact O-N 3.15Å; N680-T684 PolarHBondContact O-OG1 2.99Å; T684-G686 PolarHBondContact O-N 2.71Å; T684-A687 WeakPolarHBondContact O-CB 3.47Å; T684-A687 PolarHBondContact O-N 2.89Å; T684-L727 HydrophobicContact CG2-CD2 4.27Å; T684-L743 HydrophobicContact CG2-CD2 3.74Å
685	Q	69.7	Low	82.4	Confident	128 Å²	128	55.9 Å²	55.9	60%	0.598	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	121.8	174.9	-152.8	173.5	20.3	0	0	110	T681 A687	T681-Q685 VanDerWaalsContact O-CB 3.28Å; T681-Q685 WeakPolarHBondContact O-CB 3.16Å; T681-Q685 PolarHBondContact O-N 3.05Å; T681-Q685 VanDerWaalsContact O-N 3.08Å; Q685-A687 VanDerWaalsContact C-N 3.32Å
686	G	76.4	Confident	82.5	Confident	57 Å²	57	62.6 Å²	62.6	59%	0.588	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	14.9	-175.5	0	0	0	0	0	114.3	T684	T684-G686 PolarHBondContact O-N 2.71Å
687	A	86	Confident	82.5	Confident	16 Å²	16	63.9 Å²	63.9	13%	0.132	33%	0.331	C	S	.	.			trans	-60.1	136.6	169.5	0	0	0	0	0	110.7	L673 I676 T684 Q685 E726 L727	L673-A687 HydrophobicContact CD2-CB 3.93Å; L673-A687 WeakPolarHBondContact CD2-O 3.03Å; I676-A687 HydrophobicContact CD1-CB 3.59Å; T684-A687 WeakPolarHBondContact O-CB 3.47Å; T684-A687 PolarHBondContact O-N 2.89Å; Q685-A687 VanDerWaalsContact C-N 3.32Å; A687-E726 VanDerWaalsContact CA-O 3.26Å; A687-E726 WeakPolarHBondContact CA-O 3.03Å; A687-L727 HydrophobicContact CB-CD2 3.48Å; A687-L727 VanDerWaalsContact CB-CD2 3.48Å
688	T	89.6	Confident	82.5	Confident	67 Å²	67	65.4 Å²	65.4	41%	0.411	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.2	175.4	58.7	0	0	0	0	109.8	I725 E726	T688-I725 WeakPolarHBondContact O-CA 3.4Å; T688-E726 PolarHBondContact N-O 3.43Å; T688-E726 PolarHBondContact O-N 2.86Å; T688-E726 WeakPolarHBondContact OG1-CB 3.41Å
689	C	92.1	Very high	82.3	Confident	23 Å²	23	64 Å²	64	16%	0.155	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.6	173.5	176.7	0	0	0	0	109.2	C669 L673 Q724	C669-C689 WeakPolarHBondContact CA-SG 3.36Å; C669-C689 HydrophobicContact CB-CB 3.58Å; C669-C689 WeakPolarHBondContact CB-SG 3.23Å; C669-C689 WeakPolarHBondContact SG-CB 3.25Å; C669-C689 PolarHBondContact SG-O 3.05Å; C669-C689 VanDerWaalsContact SG-O 3.37Å; C669-C689 CovalentContact SG-SG 2.06Å; C669-C689 PolarHBondContact SG-SG 2.93Å; L673-C689 HydrophobicContact CD1-CB 3.91Å; L673-C689 HydrophobicContact CD2-CB 3.87Å; L673-C689 HydrophobicContact CG-CB 3.67Å; C689-Q724 WeakPolarHBondContact CA-O 3.47Å
690	T	91.8	Very high	82	Confident	85 Å²	85	65.3 Å²	65.3	52%	0.521	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.5	174.7	-57	0	0	0	0	108.7	N692 A723 Q724	T690-N692 PolarHBondContact O-N 3.12Å; T690-A723 CarbonylContact O-C 3.58Å; T690-A723 VanDerWaalsContact O-CA 3.3Å; T690-A723 WeakPolarHBondContact O-CA 3.12Å; T690-Q724 PolarHBondContact N-O 3.42Å; T690-Q724 PolarHBondContact O-N 2.99Å
691	L	92.3	Very high	81.6	Confident	20 Å²	20	65.9 Å²	65.9	11%	0.105	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121	172.1	-173.8	79.4	0	0	0	109.7	Y661 Y668 F694 D722 A723	Y661-L691 HydrophobicContact CE1-CD2 4.3Å; Y661-L691 HydrophobicContact CE2-CD2 4.27Å; Y668-L691 HydrophobicContact CD1-CD1 3.55Å; Y668-L691 HydrophobicContact CE1-CD1 3.88Å; Y668-L691 HydrophobicContact CG-CD1 4.26Å; L691-F694 HydrophobicContact CD1-CE1 4.08Å; L691-F694 HydrophobicContact CD1-CZ 4.47Å; L691-F694 HydrophobicContact CD2-CD1 4.15Å; L691-F694 HydrophobicContact CD2-CD2 3.98Å; L691-F694 HydrophobicContact CD2-CE1 3.63Å; L691-F694 HydrophobicContact CD2-CE2 3.47Å; L691-F694 VanDerWaalsContact CD2-CE2 3.47Å; L691-F694 HydrophobicContact CD2-CG 4.3Å; L691-F694 HydrophobicContact CD2-CZ 3.27Å; L691-D722 WeakPolarHBondContact CD1-O 3.31Å; L691-A723 HydrophobicContact CD1-CB 4.15Å
692	N	89.8	Confident	81.1	Confident	40 Å²	40	69.5 Å²	69.5	21%	0.214	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-53.9	175.9	-64.3	-23	0	0	0	110.7	K656 T690 D722	K656-N692 WeakPolarHBondContact CE-O 3.39Å; K656-N692 PolarHBondContact NZ-O 2.81Å; T690-N692 PolarHBondContact O-N 3.12Å; N692-D722 WeakPolarHBondContact CA-O 3.26Å; N692-D722 VanDerWaalsContact CB-O 3.28Å; N692-D722 WeakPolarHBondContact CB-O 3.42Å; N692-D722 PolarHBondContact N-O 2.56Å; N692-D722 PolarHBondContact ND2-OD1 3.38Å
693	R	92.3	Very high	80.2	Confident	146 Å²	146	65.9 Å²	65.9	55%	0.551	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-169.2	164.8	-179	59.7	-178.3	175	-162.1	-0	111.5	I695 D722	R693-I695 HydrophobicContact CG-CG1 4.15Å; R693-D722 HydrophobicContact CG-CB 4.42Å; R693-D722 PolarHBondContact N-O 3.04Å; R693-D722 PolarHBondContact O-N 3.38Å; R693-D722 VanDerWaalsContact O-N 3.07Å
694	F	95.3	Very high	79.3	Confident	11 Å²	11	73.1 Å²	73.1	5%	0.048	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	144.5	159.3	-65.6	-60.9	0	0	0	110.5	I638 W649 Y653 Y661 L664 L691 V719 Q720	I638-F694 HydrophobicContact CD1-CD1 4.18Å; I638-F694 HydrophobicContact CD1-CE1 3.66Å; W649-F694 HydrophobicContact CH2-CB 4.39Å; W649-F694 HydrophobicContact CZ3-CB 3.93Å; Y653-F694 HydrophobicContact CD1-CD2 4.4Å; Y653-F694 HydrophobicContact CG-CD2 4.4Å; Y661-F694 AromaticContact CD2-CD2 3.54Å; Y661-F694 HydrophobicContact CD2-CD2 3.54Å; Y661-F694 AromaticContact CD2-CE2 3.77Å; Y661-F694 HydrophobicContact CD2-CE2 3.77Å; Y661-F694 AromaticContact CE2-CD2 3.56Å; Y661-F694 HydrophobicContact CE2-CD2 3.56Å; Y661-F694 AromaticContact CE2-CE2 3.91Å; Y661-F694 HydrophobicContact CE2-CE2 3.91Å; Y661-F694 HydrophobicContact CG-CD2 4.42Å; Y661-F694 HydrophobicContact CG-CE2 4.23Å; L664-F694 HydrophobicContact CB-CE2 4.03Å; L664-F694 HydrophobicContact CB-CZ 3.79Å; L664-F694 HydrophobicContact CD2-CE1 4.04Å; L664-F694 HydrophobicContact CD2-CE2 4.05Å; L664-F694 HydrophobicContact CD2-CZ 3.77Å; L664-F694 HydrophobicContact CG-CE1 4.01Å; L664-F694 HydrophobicContact CG-CE2 4.1Å; L664-F694 HydrophobicContact CG-CZ 3.51Å; L691-F694 HydrophobicContact CD1-CE1 4.08Å; L691-F694 HydrophobicContact CD1-CZ 4.47Å; L691-F694 HydrophobicContact CD2-CD1 4.15Å; L691-F694 HydrophobicContact CD2-CD2 3.98Å; L691-F694 HydrophobicContact CD2-CE1 3.63Å; L691-F694 HydrophobicContact CD2-CE2 3.47Å; L691-F694 VanDerWaalsContact CD2-CE2 3.47Å; L691-F694 HydrophobicContact CD2-CG 4.3Å; L691-F694 HydrophobicContact CD2-CZ 3.27Å; F694-V719 HydrophobicContact CB-CG1 3.9Å; F694-V719 HydrophobicContact CD1-CG1 3.53Å; F694-V719 HydrophobicContact CE1-CG1 4.28Å; F694-V719 HydrophobicContact CG-CG1 3.83Å; F694-Q720 CarbonylContact C-O 3.34Å; F694-Q720 WeakPolarHBondContact CA-O 3.23Å
695	I	92.9	Very high	78.1	Confident	46 Å²	46	84.3 Å²	84.3	24%	0.236	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.6	179.9	-56.3	173.2	0	0	0	107.6	W649 R693 S697 Q720 D722	W649-I695 VanDerWaalsContact CZ3-C 3.48Å; R693-I695 HydrophobicContact CG-CG1 4.15Å; I695-S697 PolarHBondContact O-N 2.88Å; I695-Q720 HydrophobicContact CB-CB 4.33Å; I695-Q720 PolarHBondContact N-O 3.29Å; I695-Q720 PolarHBondContact O-N 3.38Å; I695-D722 HydrophobicContact CD1-CB 4.07Å
696	R	90.7	Very high	76.7	Confident	141 Å²	141	85.5 Å²	85.5	53%	0.532	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	119.5	170.7	-173.8	176.8	-179.8	178.5	1	108.6	W649 D717	W649-R696 HydrophobicContact CB-CG 4.03Å; W649-R696 HydrophobicContact CD2-CB 3.6Å; W649-R696 HydrophobicContact CD2-CG 3.83Å; W649-R696 HydrophobicContact CE3-CB 3.67Å; W649-R696 HydrophobicContact CE3-CG 4.24Å; W649-R696 HydrophobicContact CG-CB 4.05Å; W649-R696 HydrophobicContact CG-CG 3.7Å; W649-R696 HydrophobicContact CH2-CB 4.37Å; W649-R696 HydrophobicContact CZ2-CB 4.3Å; W649-R696 HydrophobicContact CZ3-CB 4.07Å; W649-R696 VanDerWaalsContact CZ3-N 3.33Å; R696-D717 IonicContact CZ-OD2 2.81Å; R696-D717 IonicContact NE-OD1 3.24Å; R696-D717 IonicContact NE-OD2 2.65Å; R696-D717 PolarHBondContact NE-OD2 2.75Å; R696-D717 IonicContact NH2-OD2 3.34Å; R696-D717 PolarHBondContact NH2-OD2 3.38Å
697	S	86.9	Confident	75.1	Confident	26 Å²	26	90 Å²	90	18%	0.182	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.2	178.2	-178.9	0	0	0	0	109.7	I695 A718	I695-S697 PolarHBondContact O-N 2.88Å; S697-A718 PolarHBondContact N-O 2.6Å; S697-A718 PolarHBondContact O-N 2.94Å
698	T	83.9	Confident	73	Confident	88 Å²	88	97.5 Å²	97.5	54%	0.54	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.5	175.8	-54.9	0	0	0	0	109.3	T715 D717	T698-T715 HydrophobicContact CG2-CG2 4.33Å; T698-D717 PolarHBondContact OG1-OD1 2.97Å
699	L	79.5	Confident	70.9	Confident	34 Å²	34	101.9 Å²	101.9	18%	0.178	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.4	-180	-68.3	176.5	0	0	0	111	I637 Y646 T715 T716 A718	I637-L699 HydrophobicContact CD1-CD1 4.09Å; I637-L699 HydrophobicContact CD1-CD2 3.71Å; I637-L699 HydrophobicContact CD1-CG 4.31Å; I637-L699 HydrophobicContact CG2-CD1 4.26Å; Y646-L699 HydrophobicContact CD1-CD1 3.78Å; Y646-L699 HydrophobicContact CD2-CD1 3.73Å; Y646-L699 HydrophobicContact CE1-CD1 3.61Å; Y646-L699 HydrophobicContact CE2-CD1 3.57Å; Y646-L699 HydrophobicContact CG-CD1 3.84Å; L699-T715 CarbonylContact O-C 3.52Å; L699-T715 VanDerWaalsContact O-CA 3.23Å; L699-T715 WeakPolarHBondContact O-CA 3.3Å; L699-T716 PolarHBondContact N-O 2.62Å; L699-T716 PolarHBondContact O-N 3.47Å; L699-A718 HydrophobicContact CD1-CB 3.8Å; L699-A718 HydrophobicContact CG-CB 4.23Å
700	N	70.6	Confident	68.8	Low	87 Å²	87	104.8 Å²	104.8	47%	0.465	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	108.2	170.4	-167.4	-15.2	0	0	0	109.4	Q702	N700-Q702 PolarHBondContact O-N 2.95Å
701	L	63.1	Low	66.8	Low	66 Å²	66	108.7 Å²	108.7	35%	0.346	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	104.4	176.8	-69.1	157.6	0	0	0	108.9	Y646 S703 T714 T716	Y646-L701 HydrophobicContact CE2-CD2 4.18Å; L701-S703 PolarHBondContact O-N 2.92Å; L701-T714 WeakPolarHBondContact CB-O 3.26Å; L701-T714 PolarHBondContact N-O 2.85Å; L701-T714 VanDerWaalsContact N-O 3.17Å; L701-T716 WeakPolarHBondContact CD1-OG1 3.3Å
702	Q	54.6	Low	64.9	Low	160 Å²	160	113.2 Å²	113.2	75%	0.748	56%	0.556	S	S	*	*			trans	-75.4	112	165.6	-69.4	-161.9	-20.5	0	0	109.1	N700 K704	N700-Q702 PolarHBondContact O-N 2.95Å; Q702-K704 PolarHBondContact O-N 2.81Å
703	S	49.5	Very low	63.2	Low	83 Å²	83	116.1 Å²	116.1	58%	0.58	57%	0.571	S	S	*	*			trans	-61.8	104.5	176.4	-173.6	0	0	0	0	109.8	L701 R705	L701-S703 PolarHBondContact O-N 2.92Å; S703-R705 PolarHBondContact O-N 2.8Å
704	K	48.1	Very low	61.8	Low	211 Å²	211	112.8 Å²	112.8	92%	0.917	57%	0.568	S	S	*	*	S	Bend	trans	-77.4	4.7	-174.4	-117	-175.3	-176.8	-175.7	0	114.7	Q702	Q702-K704 PolarHBondContact O-N 2.81Å
705	R	44.6	Very low	60.7	Low	235 Å²	235	116.7 Å²	116.7	89%	0.887	59%	0.592	S	S	*	*			trans	-165.9	77.8	179	-136.7	177.7	177.4	-162.4	-1	112.5	S703	S703-R705 PolarHBondContact O-N 2.8Å
706	Q	40.9	Very low	59.9	Low	153 Å²	153	116.6 Å²	116.6	72%	0.715	59%	0.594	S	S	*	*			trans	-129.5	109.9	159.7	-147	172.3	4.6	0	0	109.4	Q708	Q706-Q708 PolarHBondContact O-N 2.79Å
707	I	42.2	Very low	59.5	Low	152 Å²	152	112.1 Å²	112.1	78%	0.779	58%	0.581	S	S	*	*			trans	-66.3	123.3	168.1	-60.8	166.1	0	0	0	105.6
708	Q	42	Very low	59.6	Low	173 Å²	173	110.9 Å²	110.9	81%	0.808	57%	0.572	S	S	*	*	S	Bend	trans	67.4	105.2	172.5	-67.9	178.6	-8.8	0	0	117.7	Q706	Q706-Q708 PolarHBondContact O-N 2.79Å
709	N	45.9	Very low	60	Low	160 Å²	160	106.7 Å²	106.7	86%	0.856	55%	0.546	S	S	*	.			trans	77.2	68.5	135.6	-135.3	27.5	0	0	0	119.7
710	S	49.1	Very low	60.6	Low	84 Å²	84	106.7 Å²	106.7	59%	0.587	55%	0.545	S	S	*	.			trans	-173.9	131.6	134.5	-92.4	0	0	0	0	111.4	N712	S710-N712 PolarHBondContact O-N 2.73Å
711	N	49.4	Very low	61.7	Low	167 Å²	167	102.6 Å²	102.6	89%	0.893	52%	0.523	S	S	*	.			trans	-70.8	54.1	175.7	-66.6	-16.1	0	0	0	112.3	N713	N711-N713 VanDerWaalsContact C-N 3.33Å; N711-N713 PolarHBondContact O-N 2.92Å
712	N	50.8	Low	63.2	Low	114 Å²	114	99.7 Å²	99.7	61%	0.61	51%	0.508	S	S	*	.			trans	-85.1	81	177.9	-70.3	-4.8	0	0	0	109.2	S710 T714	S710-N712 PolarHBondContact O-N 2.73Å; N712-T714 PolarHBondContact O-N 2.95Å
713	N	54.8	Low	65.1	Low	101 Å²	101	92 Å²	92	54%	0.54	47%	0.472	S	S	.	.			trans	-63.2	87.1	158.6	-82.1	5.3	0	0	0	107.8	N711 T715	N711-N713 VanDerWaalsContact C-N 3.33Å; N711-N713 PolarHBondContact O-N 2.92Å; N713-T715 PolarHBondContact O-N 3.34Å
714	T	62.3	Low	67.2	Low	77 Å²	77	91.5 Å²	91.5	47%	0.472	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	109.8	171.8	44	0	0	0	0	108.4	L701 N712	L701-T714 WeakPolarHBondContact CB-O 3.26Å; L701-T714 PolarHBondContact N-O 2.85Å; L701-T714 VanDerWaalsContact N-O 3.17Å; N712-T714 PolarHBondContact O-N 2.95Å
715	T	72.2	Confident	69.3	Low	93 Å²	93	81.5 Å²	81.5	57%	0.571	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.4	166.6	50	0	0	0	0	108.9	T698 L699 N713	T698-T715 HydrophobicContact CG2-CG2 4.33Å; L699-T715 CarbonylContact O-C 3.52Å; L699-T715 VanDerWaalsContact O-CA 3.23Å; L699-T715 WeakPolarHBondContact O-CA 3.3Å; N713-T715 PolarHBondContact O-N 3.34Å
716	T	76.7	Confident	71.4	Confident	43 Å²	43	73.5 Å²	73.5	26%	0.264	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.1	176.1	-57.3	0	0	0	0	108.6	L699 L701	L699-T716 PolarHBondContact N-O 2.62Å; L699-T716 PolarHBondContact O-N 3.47Å; L701-T716 WeakPolarHBondContact CD1-OG1 3.3Å
717	D	83.2	Confident	73.5	Confident	48 Å²	48	66.2 Å²	66.2	26%	0.257	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.4	171.1	-73.9	-34.8	0	0	0	110.4	T648 W649 R696 T698	T648-D717 WeakPolarHBondContact CA-O 3.43Å; W649-D717 HydrophobicContact CB-CB 4.2Å; R696-D717 IonicContact CZ-OD2 2.81Å; R696-D717 IonicContact NE-OD1 3.24Å; R696-D717 IonicContact NE-OD2 2.65Å; R696-D717 PolarHBondContact NE-OD2 2.75Å; R696-D717 IonicContact NH2-OD2 3.34Å; R696-D717 PolarHBondContact NH2-OD2 3.38Å; T698-D717 PolarHBondContact OG1-OD1 2.97Å
718	A	88.4	Confident	75.3	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	156.3	180	0	0	0	0	0	110.9	I637 Y646 V647 S697 L699	I637-A718 HydrophobicContact CG2-CB 3.7Å; Y646-A718 HydrophobicContact CD1-CB 4.28Å; Y646-A718 HydrophobicContact CG-CB 4.13Å; V647-A718 CarbonylContact O-C 3.5Å; V647-A718 WeakPolarHBondContact O-CA 3.34Å; S697-A718 PolarHBondContact N-O 2.6Å; S697-A718 PolarHBondContact O-N 2.94Å; L699-A718 HydrophobicContact CD1-CB 3.8Å; L699-A718 HydrophobicContact CG-CB 4.23Å
719	V	92.1	Very high	76.7	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.2	172.6	-178	0	0	0	0	109.5	I638 V647 W649 Y653 L664 F694	I638-V719 HydrophobicContact CD1-CG1 4.01Å; I638-V719 PolarHBondContact N-O 3.45Å; V647-V719 HydrophobicContact CB-CB 4.5Å; V647-V719 HydrophobicContact CB-CG2 4.41Å; V647-V719 HydrophobicContact CG1-CB 4.43Å; V647-V719 HydrophobicContact CG1-CG2 3.95Å; V647-V719 WeakPolarHBondContact O-CG2 3.29Å; V647-V719 PolarHBondContact O-N 3.49Å; W649-V719 HydrophobicContact CE3-CG2 4.06Å; Y653-V719 HydrophobicContact CD2-CG1 4.5Å; Y653-V719 HydrophobicContact CD2-CG2 3.56Å; Y653-V719 HydrophobicContact CE2-CG2 3.62Å; L664-V719 HydrophobicContact CD2-CG1 4.14Å; F694-V719 HydrophobicContact CB-CG1 3.9Å; F694-V719 HydrophobicContact CD1-CG1 3.53Å; F694-V719 HydrophobicContact CE1-CG1 4.28Å; F694-V719 HydrophobicContact CG-CG1 3.83Å
720	Q	93.1	Very high	77.8	Confident	34 Å²	34	50 Å²	50	16%	0.159	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.5	168.8	-173	-179.3	28.3	0	0	109.5	A636 I637 F694 I695	A636-Q720 CarbonylContact O-C 3.21Å; A636-Q720 WeakPolarHBondContact O-CA 3.45Å; I637-Q720 HydrophobicContact CG1-CB 4.39Å; I637-Q720 HydrophobicContact CG1-CG 4.26Å; F694-Q720 CarbonylContact C-O 3.34Å; F694-Q720 WeakPolarHBondContact CA-O 3.23Å; I695-Q720 HydrophobicContact CB-CB 4.33Å; I695-Q720 PolarHBondContact N-O 3.29Å; I695-Q720 PolarHBondContact O-N 3.38Å
721	G	93.6	Very high	78.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.8	170	0	0	0	0	0	111	K635 A636 Y668	K635-G721 VanDerWaalsContact CA-O 3.23Å; K635-G721 WeakPolarHBondContact CA-O 3.3Å; A636-G721 PolarHBondContact N-O 3.34Å; A636-G721 PolarHBondContact O-N 2.78Å; Y668-G721 PolarHBondContact OH-O 2.76Å; Y668-G721 VanDerWaalsContact OH-O 3.11Å
722	D	93.3	Very high	79.2	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	106.7	170.1	178.5	-13.2	0	0	0	107.2	Q633 V634 K635 L691 N692 R693 I695	Q633-D722 WeakPolarHBondContact CG-OD1 3.49Å; Q633-D722 VanDerWaalsContact NE2-CG 3.3Å; Q633-D722 PolarHBondContact NE2-OD1 2.83Å; Q633-D722 PolarHBondContact NE2-OD2 3.03Å; V634-D722 WeakPolarHBondContact O-CA 3.15Å; K635-D722 HydrophobicContact CG-CB 4.34Å; L691-D722 WeakPolarHBondContact CD1-O 3.31Å; N692-D722 WeakPolarHBondContact CA-O 3.26Å; N692-D722 VanDerWaalsContact CB-O 3.28Å; N692-D722 WeakPolarHBondContact CB-O 3.42Å; N692-D722 PolarHBondContact N-O 2.56Å; N692-D722 PolarHBondContact ND2-OD1 3.38Å; R693-D722 HydrophobicContact CG-CB 4.42Å; R693-D722 PolarHBondContact N-O 3.04Å; R693-D722 PolarHBondContact O-N 3.38Å; R693-D722 VanDerWaalsContact O-N 3.07Å; I695-D722 HydrophobicContact CD1-CB 4.07Å
723	A	94.5	Very high	80.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157.9	179.5	0	0	0	0	0	112.2	Q633 V634 Y668 L672 T690 L691	Q633-A723 CarbonylContact C-O 3.52Å; Q633-A723 WeakPolarHBondContact CA-O 3.26Å; V634-A723 PolarHBondContact N-O 2.89Å; V634-A723 PolarHBondContact O-N 3.39Å; Y668-A723 HydrophobicContact CD1-CB 4.06Å; Y668-A723 HydrophobicContact CE1-CB 3.59Å; L672-A723 HydrophobicContact CD1-CB 3.96Å; T690-A723 CarbonylContact O-C 3.58Å; T690-A723 VanDerWaalsContact O-CA 3.3Å; T690-A723 WeakPolarHBondContact O-CA 3.12Å; L691-A723 HydrophobicContact CD1-CB 4.15Å
724	Q	93.6	Very high	81.2	Confident	72 Å²	72	33.2 Å²	33.2	34%	0.336	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.3	168.9	-71.4	177.5	5.4	0	0	109.7	T631 F632 C689 T690 I767	T631-Q724 HydrophobicContact CG2-CB 4.19Å; F632-Q724 CarbonylContact O-C 3.29Å; F632-Q724 VanDerWaalsContact O-CA 3.28Å; F632-Q724 WeakPolarHBondContact O-CA 3.35Å; C689-Q724 WeakPolarHBondContact CA-O 3.47Å; T690-Q724 PolarHBondContact N-O 3.42Å; T690-Q724 PolarHBondContact O-N 2.99Å; Q724-I767 HydrophobicContact CG-CD1 3.94Å
725	I	92.7	Very high	82.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.5	172.6	-54.8	-165	0	0	0	108.1	T631 F632 V634 L672 I676 T688 L727 F740	T631-I725 CarbonylContact C-O 3.47Å; T631-I725 WeakPolarHBondContact CA-O 3.36Å; F632-I725 PolarHBondContact N-O 3.24Å; F632-I725 PolarHBondContact O-N 2.93Å; V634-I725 HydrophobicContact CG2-CD1 3.83Å; V634-I725 HydrophobicContact CG2-CG1 3.98Å; L672-I725 HydrophobicContact CB-CD1 3.76Å; L672-I725 HydrophobicContact CD1-CD1 4.13Å; L672-I725 HydrophobicContact CG-CD1 4.38Å; I676-I725 HydrophobicContact CD1-CG2 3.85Å; T688-I725 WeakPolarHBondContact O-CA 3.4Å; I725-L727 HydrophobicContact CG2-CD2 4.11Å; I725-L727 HydrophobicContact CG2-CG 4.49Å; I725-F740 HydrophobicContact CB-CZ 4Å; I725-F740 HydrophobicContact CD1-CZ 4Å; I725-F740 HydrophobicContact CG1-CZ 4.39Å; I725-F740 HydrophobicContact CG2-CE2 4.22Å; I725-F740 HydrophobicContact CG2-CZ 4.12Å
726	E	88.6	Confident	82.7	Confident	68 Å²	68	28.5 Å²	28.5	32%	0.318	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.3	177.2	-170	-175.6	165	0	0	109.7	S629 A687 T688 Q728	S629-E726 VanDerWaalsContact CB-OE1 3.25Å; S629-E726 WeakPolarHBondContact CB-OE1 3.28Å; S629-E726 WeakPolarHBondContact OG-CG 3.43Å; S629-E726 PolarHBondContact OG-OE1 2.93Å; A687-E726 VanDerWaalsContact CA-O 3.26Å; A687-E726 WeakPolarHBondContact CA-O 3.03Å; T688-E726 PolarHBondContact N-O 3.43Å; T688-E726 PolarHBondContact O-N 2.86Å; T688-E726 WeakPolarHBondContact OG1-CB 3.41Å; E726-Q728 PolarHBondContact OE1-NE2 3.47Å
727	L	85.8	Confident	83.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.5	178.7	-60.2	-176.8	0	0	0	110.5	S629 T630 F632 I676 T684 A687 I725 T729 L735 F740	S629-L727 WeakPolarHBondContact CA-O 3.11Å; T630-L727 PolarHBondContact N-O 2.9Å; T630-L727 PolarHBondContact O-N 2.98Å; F632-L727 HydrophobicContact CD2-CD1 4.35Å; F632-L727 HydrophobicContact CE2-CD1 3.89Å; F632-L727 HydrophobicContact CE2-CG 4.39Å; I676-L727 HydrophobicContact CD1-CD2 3.95Å; T684-L727 HydrophobicContact CG2-CD2 4.27Å; A687-L727 HydrophobicContact CB-CD2 3.48Å; A687-L727 VanDerWaalsContact CB-CD2 3.48Å; I725-L727 HydrophobicContact CG2-CD2 4.11Å; I725-L727 HydrophobicContact CG2-CG 4.49Å; L727-T729 HydrophobicContact CB-CG2 3.99Å; L727-T729 PolarHBondContact O-N 3.47Å; L727-L735 HydrophobicContact CD1-CD1 3.69Å; L727-F740 HydrophobicContact CD1-CD2 3.81Å; L727-F740 HydrophobicContact CD1-CE2 3.89Å; L727-F740 HydrophobicContact CG-CE2 4.43Å
728	Q	79.3	Confident	83.3	Confident	63 Å²	63	31.7 Å²	31.7	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	83.5	173.7	-66.8	-65.3	-19.4	0	0	109.8	R627 E726	R627-Q728 HydrophobicContact CB-CB 4.35Å; R627-Q728 PolarHBondContact NH1-O 3.21Å; E726-Q728 PolarHBondContact OE1-NE2 3.47Å
729	T	72.3	Confident	83.3	Confident	4 Å²	4	35.4 Å²	35.4	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	159.9	-177.3	53.8	0	0	0	0	112.5	R627 V628 T630 I683 L727	R627-T729 CarbonylContact C-O 3.6Å; R627-T729 VanDerWaalsContact CA-O 3.27Å; R627-T729 WeakPolarHBondContact CA-O 3.17Å; V628-T729 PolarHBondContact N-O 2.87Å; V628-T729 PolarHBondContact O-N 2.72Å; V628-T729 PolarHBondContact O-OG1 3.13Å; T630-T729 PolarHBondContact OG1-OG1 2.69Å; I683-T729 HydrophobicContact CG2-CG2 4.3Å; L727-T729 HydrophobicContact CB-CG2 3.99Å; L727-T729 PolarHBondContact O-N 3.47Å
730	L	68.6	Low	83.2	Confident	77 Å²	77	35.4 Å²	35.4	40%	0.403	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	148	165.2	-66.2	166.9	0	0	0	109.3	G732 S733 Q734	L730-G732 PolarHBondContact O-N 3.13Å; L730-G732 VanDerWaalsContact O-N 3.11Å; L730-S733 CarbonylContact O-C 3.48Å; L730-S733 PolarHBondContact O-N 3Å; L730-Q734 PolarHBondContact O-N 2.69Å
731	A	64.1	Low	83	Confident	3 Å²	3	34.9 Å²	34.9	3%	0.025	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.1	-174.6	0	0	0	0	0	114.6	V628 Q734 L779 G792 V793	V628-A731 HydrophobicContact CG2-CB 3.59Å; A731-Q734 PolarHBondContact O-NE2 3.27Å; A731-L779 HydrophobicContact CB-CD1 4.32Å; A731-L779 HydrophobicContact CB-CD2 3.2Å; A731-L779 HydrophobicContact CB-CG 4.38Å; A731-G792 WeakPolarHBondContact O-CA 3.33Å; A731-V793 HydrophobicContact CB-CG2 3.79Å; A731-V793 PolarHBondContact O-N 3.01Å; A731-V793 VanDerWaalsContact O-N 3.11Å
732	G	63.6	Low	82.8	Confident	33 Å²	33	40 Å²	40	34%	0.34	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.7	175.8	0	0	0	0	0	115.8	L730 V793	L730-G732 PolarHBondContact O-N 3.13Å; L730-G732 VanDerWaalsContact O-N 3.11Å; G732-V793 WeakPolarHBondContact CA-O 3.28Å; G732-V793 PolarHBondContact N-O 3.16Å
733	S	70.4	Confident	82.6	Confident	75 Å²	75	40.8 Å²	40.8	52%	0.524	23%	0.228	S	C	.	.			trans	-139.8	43.9	-178.9	-56.4	0	0	0	0	110.7	L730	L730-S733 CarbonylContact O-C 3.48Å; L730-S733 PolarHBondContact O-N 3Å
734	Q	77.1	Confident	82.3	Confident	3 Å²	3	40.8 Å²	40.8	1%	0.014	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-70.8	137.8	172.1	-62	165	58.1	0	0	108.4	V628 L730 A731 N791	V628-Q734 HydrophobicContact CG1-CG 4.28Å; L730-Q734 PolarHBondContact O-N 2.69Å; A731-Q734 PolarHBondContact O-NE2 3.27Å; Q734-N791 VanDerWaalsContact CB-O 3.29Å; Q734-N791 WeakPolarHBondContact CB-O 3.31Å; Q734-N791 PolarHBondContact N-O 3.08Å; Q734-N791 WeakPolarHBondContact O-CB 3.46Å
735	L	82.6	Confident	82.1	Confident	20 Å²	20	41.1 Å²	41.1	11%	0.105	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-74.6	136.2	174.8	-63.5	179	0	0	0	109.5	F632 I683 L727 Q739 F740 L743 R766	F632-L735 HydrophobicContact CE2-CB 4.45Å; F632-L735 HydrophobicContact CZ-CB 3.85Å; F632-L735 VanDerWaalsContact CZ-O 3.31Å; F632-L735 WeakPolarHBondContact CZ-O 2.91Å; I683-L735 HydrophobicContact CG2-CD1 4.07Å; I683-L735 HydrophobicContact CG2-CG 4.38Å; L727-L735 HydrophobicContact CD1-CD1 3.69Å; L735-Q739 HydrophobicContact CD2-CB 4.14Å; L735-F740 HydrophobicContact CB-CB 4.33Å; L735-F740 HydrophobicContact CD1-CD2 4.33Å; L735-L743 HydrophobicContact CD1-CD2 4.03Å; L735-R766 WeakPolarHBondContact O-CD 3.3Å; L735-R766 PolarHBondContact O-NE 2.58Å
736	N	83.7	Confident	81.8	Confident	51 Å²	51	43.3 Å²	43.3	27%	0.273	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-81.5	173.1	164	68.4	43.3	0	0	0	111.1	A738 Q739 F740 N791	N736-A738 VanDerWaalsContact C-N 3.33Å; N736-A738 PolarHBondContact O-N 2.78Å; N736-A738 PolarHBondContact OD1-N 2.9Å; N736-A738 VanDerWaalsContact OD1-N 3.08Å; N736-Q739 PolarHBondContact ND2-OE1 3.1Å; N736-Q739 PolarHBondContact O-N 3.01Å; N736-Q739 WeakPolarHBondContact OD1-CB 3.46Å; N736-Q739 VanDerWaalsContact OD1-CG 3.3Å; N736-Q739 WeakPolarHBondContact OD1-CG 3.23Å; N736-Q739 PolarHBondContact OD1-N 3Å; N736-F740 WeakPolarHBondContact O-CB 3.43Å; N736-F740 PolarHBondContact O-N 3.01Å; N736-N791 WeakPolarHBondContact CB-OD1 3.41Å; N736-N791 PolarHBondContact ND2-OD1 2.6Å
737	Q	85.9	Confident	81.7	Confident	88 Å²	88	40 Å²	40	41%	0.411	23%	0.225	S	C	.	.	H	α-helix	trans	-59.7	-40.3	-177.7	179.8	177.4	-12.2	0	0	113.1	S741 S764 R766	Q737-S741 VanDerWaalsContact O-CB 3.32Å; Q737-S741 WeakPolarHBondContact O-CB 3.49Å; Q737-S741 PolarHBondContact O-N 2.92Å; Q737-S741 PolarHBondContact O-OG 3.28Å; Q737-S764 WeakPolarHBondContact CG-O 3.33Å; Q737-S764 PolarHBondContact NE2-O 3.4Å; Q737-R766 HydrophobicContact CB-CB 4.15Å
738	A	86.8	Confident	81.7	Confident	70 Å²	70	41.6 Å²	41.6	58%	0.579	23%	0.231	S	C	*	.	H	α-helix	trans	-70.1	-44.5	-178.4	0	0	0	0	0	111.4	N736 S741 Q742	N736-A738 VanDerWaalsContact C-N 3.33Å; N736-A738 PolarHBondContact O-N 2.78Å; N736-A738 PolarHBondContact OD1-N 2.9Å; N736-A738 VanDerWaalsContact OD1-N 3.08Å; A738-S741 PolarHBondContact O-N 3.16Å; A738-Q742 WeakPolarHBondContact O-CB 3.35Å; A738-Q742 PolarHBondContact O-N 3.3Å
739	Q	87	Confident	82	Confident	78 Å²	78	45.9 Å²	45.9	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-44.6	176.4	-70.9	169.7	-30.5	0	0	111.5	L735 N736 Q742 L743 N791	L735-Q739 HydrophobicContact CD2-CB 4.14Å; N736-Q739 PolarHBondContact ND2-OE1 3.1Å; N736-Q739 PolarHBondContact O-N 3.01Å; N736-Q739 WeakPolarHBondContact OD1-CB 3.46Å; N736-Q739 VanDerWaalsContact OD1-CG 3.3Å; N736-Q739 WeakPolarHBondContact OD1-CG 3.23Å; N736-Q739 PolarHBondContact OD1-N 3Å; Q739-Q742 PolarHBondContact O-N 2.77Å; Q739-L743 WeakPolarHBondContact O-CB 3.4Å; Q739-L743 PolarHBondContact O-N 3.06Å; Q739-N791 PolarHBondContact NE2-ND2 3.21Å
740	F	89.7	Confident	82.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-42.4	176.7	178.4	-99.5	0	0	0	112.3	F632 V634 I676 I725 L727 L735 N736 Q742 L743 L744 S764	F632-F740 HydrophobicContact CB-CD1 3.75Å; F632-F740 HydrophobicContact CB-CE1 3.39Å; F632-F740 HydrophobicContact CB-CE2 4.36Å; F632-F740 HydrophobicContact CB-CG 4.36Å; F632-F740 HydrophobicContact CB-CZ 3.7Å; F632-F740 HydrophobicContact CD1-CB 3.77Å; F632-F740 AromaticContact CD1-CD1 3.4Å; F632-F740 HydrophobicContact CD1-CD1 3.4Å; F632-F740 HydrophobicContact CD1-CD2 4.26Å; F632-F740 AromaticContact CD1-CE1 4Å; F632-F740 HydrophobicContact CD1-CE1 4Å; F632-F740 AromaticContact CD1-CG 3.53Å; F632-F740 HydrophobicContact CD1-CG 3.53Å; F632-F740 HydrophobicContact CD2-CB 4.47Å; F632-F740 HydrophobicContact CD2-CD1 4.04Å; F632-F740 AromaticContact CD2-CD2 3.61Å; F632-F740 HydrophobicContact CD2-CD2 3.61Å; F632-F740 HydrophobicContact CD2-CE1 4.12Å; F632-F740 AromaticContact CD2-CE2 3.7Å; F632-F740 HydrophobicContact CD2-CE2 3.7Å; F632-F740 AromaticContact CD2-CG 3.77Å; F632-F740 HydrophobicContact CD2-CG 3.77Å; F632-F740 AromaticContact CD2-CZ 3.93Å; F632-F740 HydrophobicContact CD2-CZ 3.93Å; F632-F740 HydrophobicContact CE1-CB 3.36Å; F632-F740 AromaticContact CE1-CD1 3.96Å; F632-F740 HydrophobicContact CE1-CD1 3.96Å; F632-F740 HydrophobicContact CE1-CD2 4.31Å; F632-F740 AromaticContact CE1-CG 3.62Å; F632-F740 HydrophobicContact CE1-CG 3.62Å; F632-F740 HydrophobicContact CE2-CB 4.13Å; F632-F740 AromaticContact CE2-CD2 3.67Å; F632-F740 HydrophobicContact CE2-CD2 3.67Å; F632-F740 HydrophobicContact CE2-CE2 4.17Å; F632-F740 AromaticContact CE2-CG 3.85Å; F632-F740 HydrophobicContact CE2-CG 3.85Å; F632-F740 HydrophobicContact CG-CB 4.31Å; F632-F740 AromaticContact CG-CD1 3.44Å; F632-F740 HydrophobicContact CG-CD1 3.44Å; F632-F740 VanDerWaalsContact CG-CD1 3.44Å; F632-F740 AromaticContact CG-CD2 3.93Å; F632-F740 HydrophobicContact CG-CD2 3.93Å; F632-F740 AromaticContact CG-CE1 3.57Å; F632-F740 HydrophobicContact CG-CE1 3.57Å; F632-F740 HydrophobicContact CG-CE2 4.03Å; F632-F740 AromaticContact CG-CG 3.61Å; F632-F740 HydrophobicContact CG-CG 3.61Å; F632-F740 AromaticContact CG-CZ 3.84Å; F632-F740 HydrophobicContact CG-CZ 3.84Å; F632-F740 HydrophobicContact CZ-CB 3.57Å; F632-F740 HydrophobicContact CZ-CD1 4.48Å; F632-F740 HydrophobicContact CZ-CD2 4.02Å; F632-F740 AromaticContact CZ-CG 3.78Å; F632-F740 HydrophobicContact CZ-CG 3.78Å; V634-F740 HydrophobicContact CG2-CE1 3.82Å; V634-F740 HydrophobicContact CG2-CZ 4.18Å; I676-F740 HydrophobicContact CG2-CE2 4.3Å; I725-F740 HydrophobicContact CB-CZ 4Å; I725-F740 HydrophobicContact CD1-CZ 4Å; I725-F740 HydrophobicContact CG1-CZ 4.39Å; I725-F740 HydrophobicContact CG2-CE2 4.22Å; I725-F740 HydrophobicContact CG2-CZ 4.12Å; L727-F740 HydrophobicContact CD1-CD2 3.81Å; L727-F740 HydrophobicContact CD1-CE2 3.89Å; L727-F740 HydrophobicContact CG-CE2 4.43Å; L735-F740 HydrophobicContact CB-CB 4.33Å; L735-F740 HydrophobicContact CD1-CD2 4.33Å; N736-F740 WeakPolarHBondContact O-CB 3.43Å; N736-F740 PolarHBondContact O-N 3.01Å; F740-Q742 VanDerWaalsContact C-N 3.32Å; F740-Q742 PolarHBondContact O-N 3.36Å; F740-L743 WeakPolarHBondContact O-CB 3.19Å; F740-L743 PolarHBondContact O-N 3.18Å; F740-L744 HydrophobicContact CE1-CD2 4.34Å; F740-L744 WeakPolarHBondContact O-CB 3.27Å; F740-L744 PolarHBondContact O-N 3.02Å; F740-S764 WeakPolarHBondContact CD1-OG 3.18Å
741	S	90.5	Very high	83	Confident	22 Å²	22	49.3 Å²	49.3	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-48.5	174.4	-62	0	0	0	0	110.5	Q737 A738 L743 L744 F745 S764	Q737-S741 VanDerWaalsContact O-CB 3.32Å; Q737-S741 WeakPolarHBondContact O-CB 3.49Å; Q737-S741 PolarHBondContact O-N 2.92Å; Q737-S741 PolarHBondContact O-OG 3.28Å; A738-S741 PolarHBondContact O-N 3.16Å; S741-L743 PolarHBondContact O-N 3.05Å; S741-L744 PolarHBondContact O-N 3.15Å; S741-F745 WeakPolarHBondContact O-CB 3.48Å; S741-F745 WeakPolarHBondContact O-CD2 3.28Å; S741-F745 PolarHBondContact O-N 2.72Å; S741-S764 PolarHBondContact OG-OG 2.88Å
742	Q	88.8	Confident	83.5	Confident	108 Å²	108	55.9 Å²	55.9	51%	0.505	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-43.3	179.7	-166	67.2	32.6	0	0	111.9	A738 Q739 F740 L744 F745 N746	A738-Q742 WeakPolarHBondContact O-CB 3.35Å; A738-Q742 PolarHBondContact O-N 3.3Å; Q739-Q742 PolarHBondContact O-N 2.77Å; F740-Q742 VanDerWaalsContact C-N 3.32Å; F740-Q742 PolarHBondContact O-N 3.36Å; Q742-L744 VanDerWaalsContact C-N 3.34Å; Q742-L744 PolarHBondContact O-N 3.05Å; Q742-F745 PolarHBondContact O-N 2.89Å; Q742-N746 PolarHBondContact NE2-OD1 2.73Å; Q742-N746 VanDerWaalsContact O-CB 3.27Å; Q742-N746 WeakPolarHBondContact O-CB 3.27Å; Q742-N746 VanDerWaalsContact O-CG 3.22Å; Q742-N746 PolarHBondContact O-N 3.21Å
743	L	88.1	Confident	83.9	Confident	21 Å²	21	56.6 Å²	56.6	11%	0.11	29%	0.294	C	S	.	.	H	α-helix	trans	-58.1	-47.9	175.9	-173.9	82.1	0	0	0	111	I676 E679 N680 T684 L735 Q739 F740 S741 G747	I676-L743 HydrophobicContact CB-CD2 4.35Å; I676-L743 HydrophobicContact CG2-CD2 4.48Å; E679-L743 HydrophobicContact CB-CD1 3.77Å; E679-L743 HydrophobicContact CB-CG 4.23Å; E679-L743 HydrophobicContact CG-CD1 3.46Å; E679-L743 VanDerWaalsContact CG-CD1 3.46Å; E679-L743 HydrophobicContact CG-CG 4.22Å; N680-L743 HydrophobicContact CB-CD1 3.69Å; T684-L743 HydrophobicContact CG2-CD2 3.74Å; L735-L743 HydrophobicContact CD1-CD2 4.03Å; Q739-L743 WeakPolarHBondContact O-CB 3.4Å; Q739-L743 PolarHBondContact O-N 3.06Å; F740-L743 WeakPolarHBondContact O-CB 3.19Å; F740-L743 PolarHBondContact O-N 3.18Å; S741-L743 PolarHBondContact O-N 3.05Å; L743-G747 PolarHBondContact O-N 2.83Å
744	L	90.1	Very high	83.7	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-45.9	180	-179.2	64.4	0	0	0	111.6	V634 L672 I676 F740 S741 Q742 Y748 I762	V634-L744 HydrophobicContact CG1-CD2 3.86Å; V634-L744 HydrophobicContact CG2-CD2 4.01Å; L672-L744 HydrophobicContact CD2-CD1 4.02Å; L672-L744 HydrophobicContact CD2-CD2 4.41Å; I676-L744 HydrophobicContact CG2-CB 4.3Å; I676-L744 HydrophobicContact CG2-CD1 3.67Å; F740-L744 HydrophobicContact CE1-CD2 4.34Å; F740-L744 WeakPolarHBondContact O-CB 3.27Å; F740-L744 PolarHBondContact O-N 3.02Å; S741-L744 PolarHBondContact O-N 3.15Å; Q742-L744 VanDerWaalsContact C-N 3.34Å; Q742-L744 PolarHBondContact O-N 3.05Å; L744-Y748 WeakPolarHBondContact O-CB 3.3Å; L744-Y748 PolarHBondContact O-N 2.88Å; L744-I762 HydrophobicContact CD2-CG2 3.63Å; L744-I762 HydrophobicContact CG-CG2 4.38Å
745	F	88.7	Confident	83.4	Confident	78 Å²	78	61.2 Å²	61.2	34%	0.342	33%	0.327	S	S	.	.	H	α-helix	trans	-67.8	-47	-179.5	-79.8	-63.9	0	0	0	113.1	S741 Q742 G747 Y748 Q749 I762	S741-F745 WeakPolarHBondContact O-CB 3.48Å; S741-F745 WeakPolarHBondContact O-CD2 3.28Å; S741-F745 PolarHBondContact O-N 2.72Å; Q742-F745 PolarHBondContact O-N 2.89Å; F745-G747 VanDerWaalsContact C-N 3.33Å; F745-G747 PolarHBondContact O-N 3.33Å; F745-Y748 PolarHBondContact O-N 2.83Å; F745-Q749 WeakPolarHBondContact O-CG 3.24Å; F745-Q749 PolarHBondContact O-N 2.75Å; F745-I762 HydrophobicContact CE1-CB 3.8Å; F745-I762 HydrophobicContact CE1-CG2 4.48Å; F745-I762 HydrophobicContact CZ-CB 4.17Å; F745-I762 WeakPolarHBondContact CZ-O 3.37Å
746	N	86.8	Confident	83.2	Confident	46 Å²	46	62.2 Å²	62.2	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-45.3	178.6	-73.7	-0.7	0	0	0	110.9	E679 Q742 Q749 K750	E679-N746 HydrophobicContact CG-CB 4.24Å; Q742-N746 PolarHBondContact NE2-OD1 2.73Å; Q742-N746 VanDerWaalsContact O-CB 3.27Å; Q742-N746 WeakPolarHBondContact O-CB 3.27Å; Q742-N746 VanDerWaalsContact O-CG 3.22Å; Q742-N746 PolarHBondContact O-N 3.21Å; N746-Q749 PolarHBondContact O-N 2.78Å; N746-K750 WeakPolarHBondContact O-CG 3.04Å; N746-K750 PolarHBondContact O-N 3.29Å
747	G	85.4	Confident	83.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-42.9	177.8	0	0	0	0	0	112.4	S675 L743 F745 Q749 K750 L751	S675-G747 CarbonylContact O-C 3.53Å; S675-G747 WeakPolarHBondContact O-CA 3.39Å; L743-G747 PolarHBondContact O-N 2.83Å; F745-G747 VanDerWaalsContact C-N 3.33Å; F745-G747 PolarHBondContact O-N 3.33Å; G747-Q749 PolarHBondContact O-N 2.73Å; G747-K750 WeakPolarHBondContact O-CB 3.4Å; G747-K750 PolarHBondContact O-N 2.95Å; G747-K750 VanDerWaalsContact O-N 3.13Å; G747-L751 PolarHBondContact O-N 2.96Å
748	Y	86	Confident	83.1	Confident	33 Å²	33	60.5 Å²	60.5	13%	0.129	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-39.1	176	-177.9	-98.2	0	0	0	112.6	S675 L744 F745 K750 L751 L753 Y758 L759 I762	S675-Y748 WeakPolarHBondContact OG-CD2 3.39Å; L744-Y748 WeakPolarHBondContact O-CB 3.3Å; L744-Y748 PolarHBondContact O-N 2.88Å; F745-Y748 PolarHBondContact O-N 2.83Å; Y748-K750 PolarHBondContact O-N 2.88Å; Y748-L751 HydrophobicContact CD2-CD1 4.15Å; Y748-L751 WeakPolarHBondContact O-CB 3.01Å; Y748-L751 PolarHBondContact O-N 2.54Å; Y748-L751 VanDerWaalsContact O-N 3.17Å; Y748-L753 HydrophobicContact CE2-CD1 3.87Å; Y748-Y758 VanDerWaalsContact OH-CB 3.25Å; Y748-Y758 WeakPolarHBondContact OH-CB 3.32Å; Y748-L759 HydrophobicContact CE2-CB 4.04Å; Y748-L759 HydrophobicContact CE2-CD1 4.47Å; Y748-L759 HydrophobicContact CE2-CG 4.2Å; Y748-L759 PolarHBondContact OH-N 2.78Å; Y748-L759 PolarHBondContact OH-O 2.99Å; Y748-L759 VanDerWaalsContact OH-O 3.06Å; Y748-I762 HydrophobicContact CD1-CD1 3.83Å; Y748-I762 HydrophobicContact CD2-CD1 4.15Å; Y748-I762 HydrophobicContact CE1-CD1 4.07Å; Y748-I762 HydrophobicContact CE2-CD1 4.39Å; Y748-I762 HydrophobicContact CG-CD1 3.87Å
749	Q	84.8	Confident	83.2	Confident	152 Å²	152	57.5 Å²	57.5	71%	0.71	31%	0.305	S	S	*	.	H	α-helix	trans	-65.7	-25.8	174.9	-75	-179.7	-6.3	0	0	113.4	F745 N746 G747	F745-Q749 WeakPolarHBondContact O-CG 3.24Å; F745-Q749 PolarHBondContact O-N 2.75Å; N746-Q749 PolarHBondContact O-N 2.78Å; G747-Q749 PolarHBondContact O-N 2.73Å
750	K	82	Confident	83.2	Confident	122 Å²	122	55.7 Å²	55.7	53%	0.53	30%	0.301	S	S	.	.	H	α-helix	trans	-82.2	-13.9	175.3	-70.7	173.3	178.5	175.4	0	113.3	T678 E679 N746 G747 Y748 N752	T678-K750 HydrophobicContact CG2-CB 3.71Å; T678-K750 HydrophobicContact CG2-CD 4.34Å; E679-K750 IonicContact OE1-NZ 2.66Å; E679-K750 WeakPolarHBondContact OE2-CD 3.28Å; E679-K750 VanDerWaalsContact OE2-CE 3.31Å; E679-K750 WeakPolarHBondContact OE2-CE 3.37Å; E679-K750 IonicContact OE2-NZ 3.62Å; E679-K750 PolarHBondContact OE2-NZ 3.47Å; N746-K750 WeakPolarHBondContact O-CG 3.04Å; N746-K750 PolarHBondContact O-N 3.29Å; G747-K750 WeakPolarHBondContact O-CB 3.4Å; G747-K750 PolarHBondContact O-N 2.95Å; G747-K750 VanDerWaalsContact O-N 3.13Å; Y748-K750 PolarHBondContact O-N 2.88Å; K750-N752 PolarHBondContact O-N 3.05Å; K750-N752 VanDerWaalsContact O-N 3.15Å
751	L	81.7	Confident	83	Confident	32 Å²	32	58 Å²	58	17%	0.168	33%	0.325	C	S	.	.			trans	-71.4	108.9	174.5	-64.9	179.1	0	0	0	109.2	Q674 S675 T678 G747 Y748 L753	Q674-L751 HydrophobicContact CB-CD1 4.34Å; Q674-L751 HydrophobicContact CB-CD2 4.08Å; S675-L751 VanDerWaalsContact OG-CD1 3.24Å; S675-L751 WeakPolarHBondContact OG-CD1 3.11Å; T678-L751 WeakPolarHBondContact OG1-CD2 3.33Å; G747-L751 PolarHBondContact O-N 2.96Å; Y748-L751 HydrophobicContact CD2-CD1 4.15Å; Y748-L751 WeakPolarHBondContact O-CB 3.01Å; Y748-L751 PolarHBondContact O-N 2.54Å; Y748-L751 VanDerWaalsContact O-N 3.17Å; L751-L753 HydrophobicContact CB-CD2 4.19Å; L751-L753 HydrophobicContact CB-CG 4.01Å; L751-L753 PolarHBondContact O-N 3.39Å
752	N	73	Confident	82.9	Confident	140 Å²	140	57.5 Å²	57.5	75%	0.749	32%	0.321	S	S	*	.			trans	-73.1	79.6	171.1	-171.4	1.2	0	0	0	110	K750 S754	K750-N752 PolarHBondContact O-N 3.05Å; K750-N752 VanDerWaalsContact O-N 3.15Å; N752-S754 PolarHBondContact O-N 3.47Å; N752-S754 VanDerWaalsContact O-N 3.08Å; N752-S754 PolarHBondContact OD1-OG 2.88Å
753	L	72.2	Confident	83	Confident	49 Å²	49	58.2 Å²	58.2	26%	0.257	32%	0.324	S	S	.	.			trans	-78	89	-180	-62.5	173.8	0	0	0	110	L671 Y748 L751	L671-L753 HydrophobicContact CD2-CD1 4.22Å; L671-L753 HydrophobicContact CD2-CD2 3.56Å; Y748-L753 HydrophobicContact CE2-CD1 3.87Å; L751-L753 HydrophobicContact CB-CD2 4.19Å; L751-L753 HydrophobicContact CB-CG 4.01Å; L751-L753 PolarHBondContact O-N 3.39Å
754	S	66.7	Low	83.2	Confident	82 Å²	82	57.6 Å²	57.6	57%	0.573	32%	0.321	S	S	*	.			trans	-83.7	-10.9	178.2	-44.6	0	0	0	0	114	N752	N752-S754 PolarHBondContact O-N 3.47Å; N752-S754 VanDerWaalsContact O-N 3.08Å; N752-S754 PolarHBondContact OD1-OG 2.88Å
755	S	70.9	Confident	83.2	Confident	93 Å²	93	60.6 Å²	60.6	65%	0.65	34%	0.34	S	S	*	.	S	Bend	trans	-161.2	162.6	178.6	63	0	0	0	0	111.5
756	G	78.3	Confident	83.2	Confident	41 Å²	41	58.9 Å²	58.9	42%	0.423	33%	0.331	S	S	.	.	S	Bend	trans	97.2	-145.8	175.1	0	0	0	0	0	114.5	F641	F641-G756 WeakPolarHBondContact CB-O 2.95Å; F641-G756 PolarHBondContact N-O 2.96Å
757	N	82.5	Confident	83.2	Confident	37 Å²	37	60.7 Å²	60.7	20%	0.198	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.8	178.4	-66.3	-24.6	0	0	0	110.1	I638 Y639 L664 L671	I638-N757 HydrophobicContact CG2-CB 3.82Å; Y639-N757 CarbonylContact O-C 3.57Å; Y639-N757 WeakPolarHBondContact O-CA 3.33Å; L664-N757 WeakPolarHBondContact CD1-ND2 3.49Å; L671-N757 HydrophobicContact CD1-CB 4.32Å; L671-N757 WeakPolarHBondContact CD1-O 3.3Å
758	Y	85.8	Confident	83.1	Confident	66 Å²	66	61.6 Å²	61.6	26%	0.259	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159	171.5	80.7	-107.5	0	0	0	109.5	Y639 Y748	Y639-Y758 AromaticContact CD1-CD1 3.75Å; Y639-Y758 HydrophobicContact CD1-CD1 3.75Å; Y639-Y758 AromaticContact CD1-CE1 2.9Å; Y639-Y758 HydrophobicContact CD1-CE1 2.9Å; Y639-Y758 HydrophobicContact CD1-CE2 4.09Å; Y639-Y758 AromaticContact CD1-CZ 3.09Å; Y639-Y758 WeakPolarHBondContact CD1-OH 3.28Å; Y639-Y758 HydrophobicContact CD2-CE2 4.45Å; Y639-Y758 AromaticContact CD2-CZ 3.93Å; Y639-Y758 WeakPolarHBondContact CD2-OH 2.94Å; Y639-Y758 AromaticContact CE1-CE1 3.37Å; Y639-Y758 HydrophobicContact CE1-CE1 3.37Å; Y639-Y758 AromaticContact CE1-CZ 3.49Å; Y639-Y758 VanDerWaalsContact CE1-CZ 3.49Å; Y639-Y758 WeakPolarHBondContact CE1-OH 3.26Å; Y639-Y758 WeakPolarHBondContact CE2-OH 3.24Å; Y639-Y758 HydrophobicContact CG-CD1 4.27Å; Y639-Y758 AromaticContact CG-CE1 3.55Å; Y639-Y758 HydrophobicContact CG-CE1 3.55Å; Y639-Y758 AromaticContact CG-CE2 3.84Å; Y639-Y758 HydrophobicContact CG-CE2 3.84Å; Y639-Y758 AromaticContact CG-CZ 3.26Å; Y639-Y758 VanDerWaalsContact CG-OH 3.25Å; Y639-Y758 PolarHBondContact N-O 2.89Å; Y639-Y758 PolarHBondContact O-N 2.96Å; Y748-Y758 VanDerWaalsContact OH-CB 3.25Å; Y748-Y758 WeakPolarHBondContact OH-CB 3.32Å
759	L	88.7	Confident	82.7	Confident	6 Å²	6	64.7 Å²	64.7	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.9	-175.9	-54.3	-175.1	0	0	0	110.7	A636 I637 I638 Y668 L671 L672 Y748 I762	A636-L759 HydrophobicContact CB-CB 3.95Å; A636-L759 HydrophobicContact CB-CD1 4.23Å; A636-L759 HydrophobicContact CB-CD2 4.35Å; A636-L759 HydrophobicContact CB-CG 4.4Å; I637-L759 CarbonylContact O-C 3.58Å; I637-L759 WeakPolarHBondContact O-CA 3.04Å; I638-L759 HydrophobicContact CG1-CD2 4.25Å; Y668-L759 HydrophobicContact CD2-CD2 3.56Å; Y668-L759 HydrophobicContact CE2-CD1 4.2Å; Y668-L759 HydrophobicContact CE2-CD2 3.51Å; Y668-L759 HydrophobicContact CE2-CG 4.5Å; L671-L759 HydrophobicContact CB-CD1 4.44Å; L671-L759 HydrophobicContact CD1-CD2 4.42Å; L671-L759 HydrophobicContact CD1-CG 4.46Å; L672-L759 HydrophobicContact CD2-CD1 3.54Å; L672-L759 HydrophobicContact CG-CD1 4.04Å; Y748-L759 HydrophobicContact CE2-CB 4.04Å; Y748-L759 HydrophobicContact CE2-CD1 4.47Å; Y748-L759 HydrophobicContact CE2-CG 4.2Å; Y748-L759 PolarHBondContact OH-N 2.78Å; Y748-L759 PolarHBondContact OH-O 2.99Å; Y748-L759 VanDerWaalsContact OH-O 3.06Å; L759-I762 HydrophobicContact CB-CD1 3.87Å; L759-I762 HydrophobicContact CB-CG1 3.79Å; L759-I762 HydrophobicContact CD1-CD1 4.49Å
760	S	87.2	Confident	82.4	Confident	40 Å²	40	59.6 Å²	59.6	28%	0.28	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.5	176.2	-175.7	0	0	0	0	110	I637 I762	I637-S760 PolarHBondContact N-O 3.01Å; I637-S760 PolarHBondContact O-N 2.82Å; S760-I762 VanDerWaalsContact C-N 3.33Å; S760-I762 PolarHBondContact O-N 3.34Å
761	G	84.7	Confident	82.1	Confident	49 Å²	49	55.3 Å²	55.3	51%	0.505	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.6	46.3	-177.8	0	0	0	0	0	112.1	E763	G761-E763 PolarHBondContact O-N 2.97Å
762	I	89	Confident	81.9	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.062	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	125.8	177.9	-54.7	170.8	0	0	0	107.8	V634 K635 A636 L744 F745 Y748 L759 S760	V634-I762 HydrophobicContact CG1-CG2 3.92Å; K635-I762 CarbonylContact O-C 3.48Å; K635-I762 WeakPolarHBondContact O-CA 3.31Å; A636-I762 HydrophobicContact CB-CB 4.28Å; A636-I762 HydrophobicContact CB-CG1 3.85Å; A636-I762 HydrophobicContact CB-CG2 4.5Å; L744-I762 HydrophobicContact CD2-CG2 3.63Å; L744-I762 HydrophobicContact CG-CG2 4.38Å; F745-I762 HydrophobicContact CE1-CB 3.8Å; F745-I762 HydrophobicContact CE1-CG2 4.48Å; F745-I762 HydrophobicContact CZ-CB 4.17Å; F745-I762 WeakPolarHBondContact CZ-O 3.37Å; Y748-I762 HydrophobicContact CD1-CD1 3.83Å; Y748-I762 HydrophobicContact CD2-CD1 4.15Å; Y748-I762 HydrophobicContact CE1-CD1 4.07Å; Y748-I762 HydrophobicContact CE2-CD1 4.39Å; Y748-I762 HydrophobicContact CG-CD1 3.87Å; L759-I762 HydrophobicContact CB-CD1 3.87Å; L759-I762 HydrophobicContact CB-CG1 3.79Å; L759-I762 HydrophobicContact CD1-CD1 4.49Å; S760-I762 VanDerWaalsContact C-N 3.33Å; S760-I762 PolarHBondContact O-N 3.34Å
763	E	90.5	Very high	82	Confident	123 Å²	123	50.1 Å²	50.1	58%	0.575	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.9	174.9	-68.5	177.2	178	0	0	107.8	V634 K635 G761	V634-E763 CarbonylContact C-O 3.46Å; V634-E763 WeakPolarHBondContact CA-O 3.44Å; K635-E763 PolarHBondContact N-O 3.32Å; K635-E763 PolarHBondContact O-N 2.9Å; G761-E763 PolarHBondContact O-N 2.97Å
764	S	91.7	Very high	81.9	Confident	7 Å²	7	52.3 Å²	52.3	5%	0.049	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140	175.6	88.8	0	0	0	0	111.8	Q633 Q737 F740 S741	Q633-S764 CarbonylContact O-C 3.56Å; Q633-S764 VanDerWaalsContact O-CA 3.22Å; Q633-S764 WeakPolarHBondContact O-CA 3.29Å; Q737-S764 WeakPolarHBondContact CG-O 3.33Å; Q737-S764 PolarHBondContact NE2-O 3.4Å; F740-S764 WeakPolarHBondContact CD1-OG 3.18Å; S741-S764 PolarHBondContact OG-OG 2.88Å
765	T	91.3	Very high	81.9	Confident	65 Å²	65	54.2 Å²	54.2	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.5	179.9	-57.9	0	0	0	0	109.3	F632 Q633 I767	F632-T765 CarbonylContact C-O 3.53Å; F632-T765 WeakPolarHBondContact CA-O 3.39Å; Q633-T765 PolarHBondContact N-O 3.34Å; Q633-T765 PolarHBondContact O-N 2.85Å; T765-I767 PolarHBondContact O-N 2.73Å
766	R	88.4	Confident	81.6	Confident	42 Å²	42	51.1 Å²	51.1	16%	0.158	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.9	176.1	-170.7	170.3	-179.9	-96.6	-4.4	109.7	T630 F632 L735 Q737 S768 P769 T770	T630-R766 VanDerWaalsContact CG2-NE 3.35Å; F632-R766 HydrophobicContact CD1-CB 3.77Å; F632-R766 HydrophobicContact CD1-CG 4Å; F632-R766 HydrophobicContact CE1-CB 3.7Å; F632-R766 HydrophobicContact CE1-CG 3.67Å; F632-R766 HydrophobicContact CZ-CG 4.25Å; L735-R766 WeakPolarHBondContact O-CD 3.3Å; L735-R766 PolarHBondContact O-NE 2.58Å; Q737-R766 HydrophobicContact CB-CB 4.15Å; R766-S768 PolarHBondContact NH1-O 2.73Å; R766-P769 VanDerWaalsContact NH1-C 3.25Å; R766-P769 PolarHBondContact NH2-O 2.85Å; R766-T770 PolarHBondContact NH1-OG1 3.46Å
767	I	87.2	Confident	80.6	Confident	84 Å²	84	60 Å²	60	43%	0.431	32%	0.324	S	S	.	.			trans	-100.3	-39.3	179.2	-55.1	162.7	0	0	0	111	T631 Q633 Q724 T765	T631-I767 PolarHBondContact O-N 3.18Å; Q633-I767 HydrophobicContact CB-CD1 3.54Å; Q633-I767 HydrophobicContact CB-CG1 3.84Å; Q633-I767 HydrophobicContact CG-CD1 4.23Å; Q724-I767 HydrophobicContact CG-CD1 3.94Å; T765-I767 PolarHBondContact O-N 2.73Å
768	S	82.3	Confident	79.7	Confident	18 Å²	18	63.9 Å²	63.9	13%	0.126	35%	0.354	C	S	.	.	S	Bend	trans	-68.4	140.7	179.7	58.4	0	0	0	0	110.8	T630 T631 R766	T630-S768 WeakPolarHBondContact CG2-OG 2.9Å; T631-S768 PolarHBondContact N-OG 2.66Å; T631-S768 PolarHBondContact O-N 3.35Å; T631-S768 PolarHBondContact O-OG 2.76Å; R766-S768 PolarHBondContact NH1-O 2.73Å
769	P	77.2	Confident	78.8	Confident	98 Å²	98	62.1 Å²	62.1	64%	0.636	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-67.5	156.5	172.8	28.8	-34.2	0	0	0	111.8	R766	R766-P769 VanDerWaalsContact NH1-C 3.25Å; R766-P769 PolarHBondContact NH2-O 2.85Å
770	T	78.3	Confident	78.1	Confident	46 Å²	46	62.9 Å²	62.9	28%	0.282	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-76	126.4	170	-56.1	0	0	0	0	108.5	R766 G792	R766-T770 PolarHBondContact NH1-OG1 3.46Å; T770-G792 VanDerWaalsContact CG2-N 3.26Å
771	I	77.5	Confident	77.5	Confident	32 Å²	32	61.9 Å²	61.9	16%	0.164	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-63.9	139.5	175.5	-60.9	-163.8	0	0	0	110.4	V628 Q775 T776 G792 V793	V628-I771 HydrophobicContact CB-CD1 4Å; V628-I771 HydrophobicContact CG1-CD1 3.28Å; V628-I771 HydrophobicContact CG1-CG1 3.85Å; V628-I771 HydrophobicContact CG2-CD1 3.47Å; V628-I771 VanDerWaalsContact CG2-CD1 3.47Å; I771-Q775 HydrophobicContact CG2-CB 4.41Å; I771-T776 HydrophobicContact CD1-CG2 4.34Å; I771-T776 HydrophobicContact CG2-CG2 3.4Å; I771-T776 WeakPolarHBondContact CG2-OG1 3.29Å; I771-G792 CarbonylContact O-C 3.44Å; I771-V793 HydrophobicContact CG2-CG1 4.36Å
772	T	77	Confident	77.3	Confident	43 Å²	43	68 Å²	68	26%	0.264	37%	0.367	S	S	.	.			trans	-118	157.5	175.4	57.1	0	0	0	0	111	S774 Q775 T776 N788 V793	T772-S774 PolarHBondContact O-N 2.87Å; T772-S774 PolarHBondContact OG1-OG 2.9Å; T772-S774 VanDerWaalsContact OG1-OG 3.05Å; T772-Q775 WeakPolarHBondContact O-CB 3.24Å; T772-Q775 PolarHBondContact O-N 3.44Å; T772-T776 PolarHBondContact O-N 2.94Å; T772-T776 PolarHBondContact O-OG1 3.17Å; T772-N788 VanDerWaalsContact CA-OD1 3.31Å; T772-N788 WeakPolarHBondContact CA-OD1 3.48Å; T772-N788 WeakPolarHBondContact CB-OD1 3.21Å; T772-V793 VanDerWaalsContact C-CG1 3.45Å
773	C	73.9	Confident	77	Confident	19 Å²	19	70.4 Å²	70.4	13%	0.128	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.7	-179.9	-70.3	0	0	0	0	113.9	Q775 R777 C786 R787 N788 V793	C773-Q775 VanDerWaalsContact C-N 3.31Å; C773-R777 PolarHBondContact O-N 2.66Å; C773-C786 WeakPolarHBondContact CA-SG 3.19Å; C773-C786 HydrophobicContact CB-CB 3.74Å; C773-C786 WeakPolarHBondContact CB-SG 3.3Å; C773-C786 WeakPolarHBondContact SG-CB 3.16Å; C773-C786 CovalentContact SG-SG 2.04Å; C773-C786 PolarHBondContact SG-SG 2.8Å; C773-R787 PolarHBondContact SG-N 2.95Å; C773-N788 WeakPolarHBondContact CB-OD1 3.48Å; C773-N788 PolarHBondContact N-OD1 2.65Å; C773-N788 PolarHBondContact SG-OD1 2.94Å; C773-N788 VanDerWaalsContact SG-OD1 3.39Å; C773-V793 HydrophobicContact CB-CG1 4.49Å; C773-V793 VanDerWaalsContact N-CG1 3.34Å
774	S	71.8	Confident	76.7	Confident	95 Å²	95	65.3 Å²	65.3	66%	0.664	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.5	175	55.3	0	0	0	0	112.5	T772	T772-S774 PolarHBondContact O-N 2.87Å; T772-S774 PolarHBondContact OG1-OG 2.9Å; T772-S774 VanDerWaalsContact OG1-OG 3.05Å
775	Q	66.8	Low	76.3	Confident	123 Å²	123	68.2 Å²	68.2	58%	0.575	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-24.6	179.3	-65	171.5	-22.4	0	0	112.3	I771 T772 C773	I771-Q775 HydrophobicContact CG2-CB 4.41Å; T772-Q775 WeakPolarHBondContact O-CB 3.24Å; T772-Q775 PolarHBondContact O-N 3.44Å; C773-Q775 VanDerWaalsContact C-N 3.31Å
776	T	64.2	Low	75.9	Confident	28 Å²	28	67 Å²	67	17%	0.172	37%	0.37	C	S	.	.			trans	-128.5	45.1	-171.5	49.8	0	0	0	0	113.6	I771 T772 S778 L779	I771-T776 HydrophobicContact CD1-CG2 4.34Å; I771-T776 HydrophobicContact CG2-CG2 3.4Å; I771-T776 WeakPolarHBondContact CG2-OG1 3.29Å; T772-T776 PolarHBondContact O-N 2.94Å; T772-T776 PolarHBondContact O-OG1 3.17Å; T776-S778 PolarHBondContact O-N 3Å; T776-L779 WeakPolarHBondContact O-CB 3.41Å; T776-L779 PolarHBondContact O-N 2.98Å
777	R	56.2	Low	75.6	Confident	227 Å²	227	73.9 Å²	73.9	86%	0.857	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-26.1	176.9	-86.1	-171.3	178.3	-176.9	0.1	114.6	C773	C773-R777 PolarHBondContact O-N 2.66Å
778	S	63.2	Low	75.3	Confident	118 Å²	118	74.2 Å²	74.2	83%	0.825	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	2.8	-179.5	-177.2	0	0	0	0	114.4	T776	T776-S778 PolarHBondContact O-N 3Å
779	L	67.1	Low	75	Confident	30 Å²	30	76 Å²	76	16%	0.157	41%	0.409	C	S	.	.	S	Bend	trans	-84.1	-36.5	-173.7	-159.4	89.4	0	0	0	113	A731 T776 V793 K811	A731-L779 HydrophobicContact CB-CD1 4.32Å; A731-L779 HydrophobicContact CB-CD2 3.2Å; A731-L779 HydrophobicContact CB-CG 4.38Å; T776-L779 WeakPolarHBondContact O-CB 3.41Å; T776-L779 PolarHBondContact O-N 2.98Å; L779-V793 HydrophobicContact CD2-CG2 3.78Å; L779-K811 VanDerWaalsContact O-CD 3.3Å; L779-K811 WeakPolarHBondContact O-CD 3.33Å; L779-K811 WeakPolarHBondContact O-CE 3.12Å; L779-K811 PolarHBondContact O-NZ 3.09Å
780	C	75	Confident	74.6	Confident	21 Å²	21	78.4 Å²	78.4	14%	0.142	42%	0.417	C	S	.	.	S	Bend	trans	-79.3	151	177.1	-53.7	0	0	0	0	110.8	A784 C786 C795	C780-A784 HydrophobicContact CB-CB 3.91Å; C780-C786 VanDerWaalsContact SG-CA 3.59Å; C780-C786 WeakPolarHBondContact SG-CB 2.86Å; C780-C795 WeakPolarHBondContact CA-SG 3.4Å; C780-C795 HydrophobicContact CB-CB 3.68Å; C780-C795 WeakPolarHBondContact CB-SG 3.32Å; C780-C795 WeakPolarHBondContact SG-CB 3.41Å; C780-C795 CovalentContact SG-SG 2.03Å; C780-C795 PolarHBondContact SG-SG 3.14Å
781	G	75.4	Confident	74.3	Confident	20 Å²	20	78.2 Å²	78.2	21%	0.206	41%	0.414	C	S	.	.			trans	-64.2	167	174.4	0	0	0	0	0	112.4	H783 A784 G810	G781-H783 PolarHBondContact O-N 2.93Å; G781-A784 PolarHBondContact O-N 3.38Å; G781-G810 PolarHBondContact N-O 3.43Å
782	E	78.9	Confident	74.3	Confident	178 Å²	178	76.7 Å²	76.7	83%	0.832	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.5	-174.8	-167.2	176.2	173.1	0	0	114.3
783	H	83.3	Confident	74.3	Confident	62 Å²	62	74.8 Å²	74.8	29%	0.287	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	35.4	178.5	-52.9	-53.8	0	0	0	112	G781 C797 D798 W801 C813	G781-H783 PolarHBondContact O-N 2.93Å; H783-C797 CarbonylContact O-C 3.48Å; H783-C797 WeakPolarHBondContact O-CA 3.32Å; H783-D798 PolarHBondContact O-N 2.93Å; H783-W801 HydrophobicContact CB-CD2 3.62Å; H783-W801 HydrophobicContact CB-CE3 3.98Å; H783-W801 HydrophobicContact CB-CG 3.95Å; H783-W801 HydrophobicContact CB-CH2 4.45Å; H783-W801 HydrophobicContact CB-CZ2 4.1Å; H783-W801 HydrophobicContact CB-CZ3 4.38Å; H783-W801 AromaticContact CD2-CE2 3.88Å; H783-W801 AromaticContact CD2-CE3 3.74Å; H783-W801 AromaticContact CD2-CH2 3.09Å; H783-W801 WeakPolarHBondContact CD2-CH2 3.28Å; H783-W801 AromaticContact CD2-CZ2 3.43Å; H783-W801 VanDerWaalsContact CD2-CZ2 3.43Å; H783-W801 WeakPolarHBondContact CD2-CZ2 3.05Å; H783-W801 AromaticContact CD2-CZ3 3.25Å; H783-W801 WeakPolarHBondContact CD2-CZ3 3.37Å; H783-W801 AromaticContact CE1-CH2 3.81Å; H783-W801 AromaticContact CE1-CZ2 3.69Å; H783-W801 AromaticContact CG-CD2 3.85Å; H783-W801 AromaticContact CG-CE2 3.52Å; H783-W801 AromaticContact CG-CE3 3.99Å; H783-W801 AromaticContact CG-CH2 3.62Å; H783-W801 AromaticContact CG-CZ2 3.42Å; H783-W801 VanDerWaalsContact CG-CZ2 3.42Å; H783-W801 AromaticContact CG-CZ3 3.89Å; H783-W801 AromaticContact ND1-CE2 3.95Å; H783-W801 AromaticContact ND1-CZ2 3.6Å; H783-W801 AromaticContact NE2-CH2 3.22Å; H783-W801 WeakPolarHBondContact NE2-CH2 3.14Å; H783-W801 AromaticContact NE2-CZ2 3.58Å; H783-W801 AromaticContact NE2-CZ3 3.83Å; H783-C813 HydrophobicContact CB-CB 4.06Å
784	A	83.6	Confident	74.6	Confident	15 Å²	15	76 Å²	76	12%	0.124	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.7	176.8	0	0	0	0	0	112	C780 G781 T796 G810	C780-A784 HydrophobicContact CB-CB 3.91Å; G781-A784 PolarHBondContact O-N 3.38Å; A784-T796 CarbonylContact C-O 3.57Å; A784-T796 VanDerWaalsContact CA-O 3.23Å; A784-T796 WeakPolarHBondContact CA-O 3.29Å; A784-T796 WeakPolarHBondContact CB-O 3.1Å; A784-G810 WeakPolarHBondContact CB-O 3.33Å
785	S	84.3	Confident	75	Confident	69 Å²	69	71.9 Å²	71.9	48%	0.483	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.2	173.7	-158.7	0	0	0	0	110.7	T796 D798	S785-T796 PolarHBondContact N-O 3.38Å; S785-T796 PolarHBondContact O-N 2.89Å; S785-D798 PolarHBondContact N-OD1 2.77Å
786	C	82.7	Confident	75.7	Confident	39 Å²	39	69.9 Å²	69.9	26%	0.264	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.1	174.3	-169.8	0	0	0	0	110.7	C773 C780	C773-C786 WeakPolarHBondContact CA-SG 3.19Å; C773-C786 HydrophobicContact CB-CB 3.74Å; C773-C786 WeakPolarHBondContact CB-SG 3.3Å; C773-C786 WeakPolarHBondContact SG-CB 3.16Å; C773-C786 CovalentContact SG-SG 2.04Å; C773-C786 PolarHBondContact SG-SG 2.8Å; C780-C786 VanDerWaalsContact SG-CA 3.59Å; C780-C786 WeakPolarHBondContact SG-CB 2.86Å
787	R	82.7	Confident	76.7	Confident	187 Å²	187	69.5 Å²	69.5	71%	0.706	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.3	172.5	-168.3	176.5	-178.4	178.3	1	111.1	C773 T794	C773-R787 PolarHBondContact SG-N 2.95Å; R787-T794 HydrophobicContact CB-CG2 3.85Å; R787-T794 PolarHBondContact N-O 3.05Å; R787-T794 PolarHBondContact O-N 2.84Å
788	N	79.8	Confident	78.1	Confident	90 Å²	90	61.4 Å²	61.4	48%	0.481	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.7	172.9	-66.3	-33.6	0	0	0	110.1	T772 C773	T772-N788 VanDerWaalsContact CA-OD1 3.31Å; T772-N788 WeakPolarHBondContact CA-OD1 3.48Å; T772-N788 WeakPolarHBondContact CB-OD1 3.21Å; C773-N788 WeakPolarHBondContact CB-OD1 3.48Å; C773-N788 PolarHBondContact N-OD1 2.65Å; C773-N788 PolarHBondContact SG-OD1 2.94Å; C773-N788 VanDerWaalsContact SG-OD1 3.39Å
789	T	76	Confident	78.9	Confident	56 Å²	56	61.3 Å²	61.3	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	166.3	170	68.6	0	0	0	0	109.3	N791 G792 T794	T789-N791 PolarHBondContact O-N 3.23Å; T789-N791 VanDerWaalsContact O-N 3.12Å; T789-N791 PolarHBondContact OG1-N 3.07Å; T789-G792 PolarHBondContact N-O 2.77Å; T789-G792 PolarHBondContact O-N 2.67Å; T789-G792 VanDerWaalsContact O-O 3.08Å; T789-G792 PolarHBondContact OG1-N 3.33Å; T789-G792 PolarHBondContact OG1-O 2.91Å; T789-T794 HydrophobicContact CG2-CG2 3.71Å
790	D	69.3	Low	79.6	Confident	148 Å²	148	64.7 Å²	64.7	79%	0.791	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.8	177.2	-59.1	-31	0	0	0	112.5
791	N	70.9	Confident	80	Confident	43 Å²	43	67.3 Å²	67.3	23%	0.23	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	19.3	-174.4	-64.2	-30.6	0	0	0	112.6	Q734 N736 Q739 T789	Q734-N791 VanDerWaalsContact CB-O 3.29Å; Q734-N791 WeakPolarHBondContact CB-O 3.31Å; Q734-N791 PolarHBondContact N-O 3.08Å; Q734-N791 WeakPolarHBondContact O-CB 3.46Å; N736-N791 WeakPolarHBondContact CB-OD1 3.41Å; N736-N791 PolarHBondContact ND2-OD1 2.6Å; Q739-N791 PolarHBondContact NE2-ND2 3.21Å; T789-N791 PolarHBondContact O-N 3.23Å; T789-N791 VanDerWaalsContact O-N 3.12Å; T789-N791 PolarHBondContact OG1-N 3.07Å
792	G	77.5	Confident	80.4	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-132.7	175.7	0	0	0	0	0	113.8	A731 T770 I771 T789	A731-G792 WeakPolarHBondContact O-CA 3.33Å; T770-G792 VanDerWaalsContact CG2-N 3.26Å; I771-G792 CarbonylContact O-C 3.44Å; T789-G792 PolarHBondContact N-O 2.77Å; T789-G792 PolarHBondContact O-N 2.67Å; T789-G792 VanDerWaalsContact O-O 3.08Å; T789-G792 PolarHBondContact OG1-N 3.33Å; T789-G792 PolarHBondContact OG1-O 2.91Å
793	V	77.7	Confident	80.5	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.6	-178.4	-65.3	0	0	0	0	110.9	A731 G732 I771 T772 C773 L779	A731-V793 HydrophobicContact CB-CG2 3.79Å; A731-V793 PolarHBondContact O-N 3.01Å; A731-V793 VanDerWaalsContact O-N 3.11Å; G732-V793 WeakPolarHBondContact CA-O 3.28Å; G732-V793 PolarHBondContact N-O 3.16Å; I771-V793 HydrophobicContact CG2-CG1 4.36Å; T772-V793 VanDerWaalsContact C-CG1 3.45Å; C773-V793 HydrophobicContact CB-CG1 4.49Å; C773-V793 VanDerWaalsContact N-CG1 3.34Å; L779-V793 HydrophobicContact CD2-CG2 3.78Å
794	T	79.3	Confident	80.2	Confident	45 Å²	45	67 Å²	67	28%	0.276	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.7	168.8	-168.6	0	0	0	0	109.4	R787 T789	R787-T794 HydrophobicContact CB-CG2 3.85Å; R787-T794 PolarHBondContact N-O 3.05Å; R787-T794 PolarHBondContact O-N 2.84Å; T789-T794 HydrophobicContact CG2-CG2 3.71Å
795	C	80.2	Confident	79.5	Confident	8 Å²	8	69.9 Å²	69.9	5%	0.054	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.6	170.6	-62.2	0	0	0	0	108.2	C780 P809	C780-C795 WeakPolarHBondContact CA-SG 3.4Å; C780-C795 HydrophobicContact CB-CB 3.68Å; C780-C795 WeakPolarHBondContact CB-SG 3.32Å; C780-C795 WeakPolarHBondContact SG-CB 3.41Å; C780-C795 CovalentContact SG-SG 2.03Å; C780-C795 PolarHBondContact SG-SG 3.14Å; C795-P809 VanDerWaalsContact CB-O 3.31Å; C795-P809 WeakPolarHBondContact CB-O 3.29Å; C795-P809 CarbonylContact O-C 3.56Å; C795-P809 VanDerWaalsContact O-O 3.12Å
796	T	82.9	Confident	78.6	Confident	80 Å²	80	72.3 Å²	72.3	49%	0.491	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.9	175.8	-52	0	0	0	0	108.1	A784 S785 D798	A784-T796 CarbonylContact C-O 3.57Å; A784-T796 VanDerWaalsContact CA-O 3.23Å; A784-T796 WeakPolarHBondContact CA-O 3.29Å; A784-T796 WeakPolarHBondContact CB-O 3.1Å; S785-T796 PolarHBondContact N-O 3.38Å; S785-T796 PolarHBondContact O-N 2.89Å; T796-D798 PolarHBondContact O-N 3.4Å
797	C	84.8	Confident	77.6	Confident	20 Å²	20	75.8 Å²	75.8	14%	0.135	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	140	173	-63.9	0	0	0	0	111	H783 W801 C813	H783-C797 CarbonylContact O-C 3.48Å; H783-C797 WeakPolarHBondContact O-CA 3.32Å; C797-W801 HydrophobicContact CB-CB 3.92Å; C797-C813 WeakPolarHBondContact CA-SG 3.38Å; C797-C813 HydrophobicContact CB-CB 3.81Å; C797-C813 WeakPolarHBondContact CB-SG 3.32Å; C797-C813 WeakPolarHBondContact SG-CA 3.26Å; C797-C813 WeakPolarHBondContact SG-CB 3.46Å; C797-C813 CovalentContact SG-SG 2.04Å; C797-C813 PolarHBondContact SG-SG 3.41Å
798	D	86.1	Confident	76.6	Confident	57 Å²	57	69.9 Å²	69.9	31%	0.305	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-62	158.5	177.9	-72.4	-33.5	0	0	0	111.1	H783 S785 T796 M800 W801	H783-D798 PolarHBondContact O-N 2.93Å; S785-D798 PolarHBondContact N-OD1 2.77Å; T796-D798 PolarHBondContact O-N 3.4Å; D798-M800 PolarHBondContact O-N 2.77Å; D798-W801 WeakPolarHBondContact O-CB 3.31Å; D798-W801 PolarHBondContact O-N 3.49Å
799	P	80	Confident	76.1	Confident	116 Å²	116	68.2 Å²	68.2	75%	0.753	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	141.8	173.4	-23.5	33.1	0	0	0	110.7	W801	P799-W801 VanDerWaalsContact C-N 3.3Å
800	M	81.8	Confident	75.9	Confident	102 Å²	102	65.5 Å²	65.5	50%	0.502	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-8.5	-171.4	-48	-169	101.5	0	0	116.2	D798 H816 T819	D798-M800 PolarHBondContact O-N 2.77Å; M800-H816 VanDerWaalsContact O-CB 3.23Å; M800-H816 WeakPolarHBondContact O-CB 3.39Å; M800-H816 PolarHBondContact O-N 2.72Å; M800-T819 WeakPolarHBondContact CA-OG1 3.47Å; M800-T819 HydrophobicContact CB-CG2 4.01Å; M800-T819 WeakPolarHBondContact CB-OG1 3.25Å; M800-T819 HydrophobicContact CE-CG2 3.39Å; M800-T819 HydrophobicContact CG-CG2 4.43Å; M800-T819 PolarHBondContact O-OG1 2.87Å; M800-T819 HydrophobicContact SD-CG2 4.04Å
801	W	83.5	Confident	76.1	Confident	76 Å²	76	62 Å²	62	29%	0.288	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147	177.4	-57.9	83.2	0	0	0	111.3	H783 C797 D798 P799 C813 T814 L815	H783-W801 HydrophobicContact CB-CD2 3.62Å; H783-W801 HydrophobicContact CB-CE3 3.98Å; H783-W801 HydrophobicContact CB-CG 3.95Å; H783-W801 HydrophobicContact CB-CH2 4.45Å; H783-W801 HydrophobicContact CB-CZ2 4.1Å; H783-W801 HydrophobicContact CB-CZ3 4.38Å; H783-W801 AromaticContact CD2-CE2 3.88Å; H783-W801 AromaticContact CD2-CE3 3.74Å; H783-W801 AromaticContact CD2-CH2 3.09Å; H783-W801 WeakPolarHBondContact CD2-CH2 3.28Å; H783-W801 AromaticContact CD2-CZ2 3.43Å; H783-W801 VanDerWaalsContact CD2-CZ2 3.43Å; H783-W801 WeakPolarHBondContact CD2-CZ2 3.05Å; H783-W801 AromaticContact CD2-CZ3 3.25Å; H783-W801 WeakPolarHBondContact CD2-CZ3 3.37Å; H783-W801 AromaticContact CE1-CH2 3.81Å; H783-W801 AromaticContact CE1-CZ2 3.69Å; H783-W801 AromaticContact CG-CD2 3.85Å; H783-W801 AromaticContact CG-CE2 3.52Å; H783-W801 AromaticContact CG-CE3 3.99Å; H783-W801 AromaticContact CG-CH2 3.62Å; H783-W801 AromaticContact CG-CZ2 3.42Å; H783-W801 VanDerWaalsContact CG-CZ2 3.42Å; H783-W801 AromaticContact CG-CZ3 3.89Å; H783-W801 AromaticContact ND1-CE2 3.95Å; H783-W801 AromaticContact ND1-CZ2 3.6Å; H783-W801 AromaticContact NE2-CH2 3.22Å; H783-W801 WeakPolarHBondContact NE2-CH2 3.14Å; H783-W801 AromaticContact NE2-CZ2 3.58Å; H783-W801 AromaticContact NE2-CZ3 3.83Å; C797-W801 HydrophobicContact CB-CB 3.92Å; D798-W801 WeakPolarHBondContact O-CB 3.31Å; D798-W801 PolarHBondContact O-N 3.49Å; P799-W801 VanDerWaalsContact C-N 3.3Å; W801-C813 HydrophobicContact CB-CB 4.03Å; W801-C813 HydrophobicContact CE3-CB 4.23Å; W801-T814 CarbonylContact C-O 3.6Å; W801-T814 VanDerWaalsContact CA-O 3.31Å; W801-T814 WeakPolarHBondContact CA-O 3.43Å; W801-T814 VanDerWaalsContact CE3-C 3.44Å; W801-L815 HydrophobicContact CD2-CD1 4.05Å; W801-L815 HydrophobicContact CE3-CD1 4.13Å; W801-L815 HydrophobicContact CH2-CD1 3.68Å; W801-L815 HydrophobicContact CZ2-CD1 3.6Å; W801-L815 HydrophobicContact CZ3-CD1 3.96Å
802	K	82.3	Confident	76.4	Confident	119 Å²	119	63.5 Å²	63.5	52%	0.517	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.5	177.6	-174.6	-177.3	175.2	-175.4	0	109.3	T814	K802-T814 PolarHBondContact N-O 3.35Å; K802-T814 PolarHBondContact O-N 3.38Å; K802-T814 PolarHBondContact O-OG1 2.88Å
803	D	81.6	Confident	76.7	Confident	42 Å²	42	64.1 Å²	64.1	23%	0.225	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.1	174.1	-149.4	-39.1	0	0	0	112.6	N805 P809 G810	D803-N805 PolarHBondContact OD1-N 3.26Å; D803-P809 VanDerWaalsContact OD2-C 3.25Å; D803-P809 WeakPolarHBondContact OD2-CA 3.32Å; D803-P809 VanDerWaalsContact OD2-CB 3.27Å; D803-P809 WeakPolarHBondContact OD2-CB 3.05Å; D803-G810 PolarHBondContact OD2-N 3.26Å
804	L	76.4	Confident	77	Confident	92 Å²	92	66.2 Å²	66.2	48%	0.482	37%	0.371	S	S	.	.	S	Bend	trans	-89.4	-21.8	171	-74.7	-178.4	0	0	0	113.6	P806 N812 T814	L804-P806 WeakPolarHBondContact O-CD 3.38Å; L804-N812 HydrophobicContact CB-CB 4.45Å; L804-N812 PolarHBondContact N-O 2.84Å; L804-T814 HydrophobicContact CD1-CG2 3.27Å; L804-T814 HydrophobicContact CD2-CG2 4.25Å; L804-T814 HydrophobicContact CG-CG2 3.61Å
805	N	69.9	Low	77.2	Confident	75 Å²	75	66.7 Å²	66.7	40%	0.401	37%	0.371	S	S	.	.			trans	-118.6	94.5	-171.6	-75.2	-22.5	0	0	0	110.9	D803 S807 D808	D803-N805 PolarHBondContact OD1-N 3.26Å; N805-S807 PolarHBondContact O-N 3.35Å; N805-S807 VanDerWaalsContact O-N 3.09Å; N805-D808 CarbonylContact O-C 3.55Å; N805-D808 PolarHBondContact O-N 2.86Å
806	P	66.1	Low	77.3	Confident	121 Å²	121	70.5 Å²	70.5	79%	0.786	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.6	178	-21.2	31.1	0	0	0	113.7	L804	L804-P806 WeakPolarHBondContact O-CD 3.38Å
807	S	59.9	Low	77.3	Confident	112 Å²	112	70.7 Å²	70.7	78%	0.783	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-19.1	-177.4	-51.5	0	0	0	0	114.1	N805	N805-S807 PolarHBondContact O-N 3.35Å; N805-S807 VanDerWaalsContact O-N 3.09Å
808	D	63.3	Low	77.2	Confident	62 Å²	62	71.5 Å²	71.5	33%	0.332	40%	0.403	S	S	.	.	S	Bend	trans	-144.2	78.3	176.5	-168.1	2	0	0	0	109.4	N805 K811	N805-D808 CarbonylContact O-C 3.55Å; N805-D808 PolarHBondContact O-N 2.86Å; D808-K811 HydrophobicContact CB-CG 4.3Å; D808-K811 VanDerWaalsContact CG-CG 3.43Å; D808-K811 VanDerWaalsContact OD2-CG 3.27Å; D808-K811 WeakPolarHBondContact OD2-CG 3.23Å
809	P	68.1	Low	77.1	Confident	55 Å²	55	69.3 Å²	69.3	36%	0.357	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	144.7	-168.7	24.7	-32.8	0	0	0	112.5	C795 D803 K811	C795-P809 VanDerWaalsContact CB-O 3.31Å; C795-P809 WeakPolarHBondContact CB-O 3.29Å; C795-P809 CarbonylContact O-C 3.56Å; C795-P809 VanDerWaalsContact O-O 3.12Å; D803-P809 VanDerWaalsContact OD2-C 3.25Å; D803-P809 WeakPolarHBondContact OD2-CA 3.32Å; D803-P809 VanDerWaalsContact OD2-CB 3.27Å; D803-P809 WeakPolarHBondContact OD2-CB 3.05Å; P809-K811 VanDerWaalsContact C-N 3.29Å; P809-K811 PolarHBondContact O-N 3.2Å
810	G	72.6	Confident	77.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	0.2	178.6	0	0	0	0	0	114.8	G781 A784 D803	G781-G810 PolarHBondContact N-O 3.43Å; A784-G810 WeakPolarHBondContact CB-O 3.33Å; D803-G810 PolarHBondContact OD2-N 3.26Å
811	K	73.1	Confident	77.5	Confident	73 Å²	73	65.1 Å²	65.1	32%	0.317	37%	0.37	S	S	.	.	S	Bend	trans	-77.2	-45	174.3	-80	-65.7	-167	173.5	0	113.2	L779 D808 P809	L779-K811 VanDerWaalsContact O-CD 3.3Å; L779-K811 WeakPolarHBondContact O-CD 3.33Å; L779-K811 WeakPolarHBondContact O-CE 3.12Å; L779-K811 PolarHBondContact O-NZ 3.09Å; D808-K811 HydrophobicContact CB-CG 4.3Å; D808-K811 VanDerWaalsContact CG-CG 3.43Å; D808-K811 VanDerWaalsContact OD2-CG 3.27Å; D808-K811 WeakPolarHBondContact OD2-CG 3.23Å; P809-K811 VanDerWaalsContact C-N 3.29Å; P809-K811 PolarHBondContact O-N 3.2Å
812	N	78.4	Confident	77.7	Confident	75 Å²	75	66.7 Å²	66.7	40%	0.401	38%	0.383	S	S	.	.	S	Bend	trans	-124.7	90.3	-176.8	-164.7	1.4	0	0	0	109.9	L804	L804-N812 HydrophobicContact CB-CB 4.45Å; L804-N812 PolarHBondContact N-O 2.84Å
813	C	83.3	Confident	78	Confident	14 Å²	14	65.4 Å²	65.4	10%	0.095	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	122.4	-179.8	-62	0	0	0	0	109.1	H783 C797 W801	H783-C813 HydrophobicContact CB-CB 4.06Å; C797-C813 WeakPolarHBondContact CA-SG 3.38Å; C797-C813 HydrophobicContact CB-CB 3.81Å; C797-C813 WeakPolarHBondContact CB-SG 3.32Å; C797-C813 WeakPolarHBondContact SG-CA 3.26Å; C797-C813 WeakPolarHBondContact SG-CB 3.46Å; C797-C813 CovalentContact SG-SG 2.04Å; C797-C813 PolarHBondContact SG-SG 3.41Å; W801-C813 HydrophobicContact CB-CB 4.03Å; W801-C813 HydrophobicContact CE3-CB 4.23Å
814	T	84.5	Confident	78.4	Confident	47 Å²	47	67 Å²	67	29%	0.288	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	151.6	174.3	52	0	0	0	0	111.2	W801 K802 L804 H816	W801-T814 CarbonylContact C-O 3.6Å; W801-T814 VanDerWaalsContact CA-O 3.31Å; W801-T814 WeakPolarHBondContact CA-O 3.43Å; W801-T814 VanDerWaalsContact CE3-C 3.44Å; K802-T814 PolarHBondContact N-O 3.35Å; K802-T814 PolarHBondContact O-N 3.38Å; K802-T814 PolarHBondContact O-OG1 2.88Å; L804-T814 HydrophobicContact CD1-CG2 3.27Å; L804-T814 HydrophobicContact CD2-CG2 4.25Å; L804-T814 HydrophobicContact CG-CG2 3.61Å; T814-H816 PolarHBondContact O-N 2.9Å
815	L	81.7	Confident	79.1	Confident	55 Å²	55	69.4 Å²	69.4	29%	0.288	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	129.5	-179.8	-142.5	82.1	0	0	0	110.1	W801 T819 I820 I823	W801-L815 HydrophobicContact CD2-CD1 4.05Å; W801-L815 HydrophobicContact CE3-CD1 4.13Å; W801-L815 HydrophobicContact CH2-CD1 3.68Å; W801-L815 HydrophobicContact CZ2-CD1 3.6Å; W801-L815 HydrophobicContact CZ3-CD1 3.96Å; L815-T819 HydrophobicContact CD1-CG2 4.46Å; L815-T819 HydrophobicContact CD2-CG2 3.72Å; L815-T819 HydrophobicContact CG-CG2 3.92Å; L815-I820 HydrophobicContact CB-CD1 4.38Å; L815-I820 HydrophobicContact CB-CG1 4.17Å; L815-I820 HydrophobicContact CD2-CG1 3.63Å; L815-I820 HydrophobicContact CG-CG1 4.36Å; L815-I823 HydrophobicContact CD2-CD1 3.9Å
816	H	83.8	Confident	80.1	Confident	88 Å²	88	68.3 Å²	68.3	41%	0.407	40%	0.401	S	S	.	.			trans	-60.4	135.5	178.7	-174.1	-94	0	0	0	109.5	M800 T814 G818 T819 I820	M800-H816 VanDerWaalsContact O-CB 3.23Å; M800-H816 WeakPolarHBondContact O-CB 3.39Å; M800-H816 PolarHBondContact O-N 2.72Å; T814-H816 PolarHBondContact O-N 2.9Å; H816-G818 PolarHBondContact ND1-N 2.55Å; H816-G818 PolarHBondContact O-N 2.75Å; H816-G818 VanDerWaalsContact O-N 3.08Å; H816-T819 WeakPolarHBondContact O-CA 3.41Å; H816-T819 VanDerWaalsContact O-CB 3.25Å; H816-T819 WeakPolarHBondContact O-CB 3.24Å; H816-T819 PolarHBondContact O-N 3.05Å; H816-I820 PolarHBondContact O-N 3.12Å
817	P	81.3	Confident	81.3	Confident	84 Å²	84	64.9 Å²	64.9	55%	0.545	38%	0.382	S	S	.	.	H	α-helix	trans	-54.1	-34.9	-179.5	-27.8	34.2	0	0	0	113.4	T819 I820 A821	P817-T819 VanDerWaalsContact C-N 3.34Å; P817-T819 PolarHBondContact O-N 2.77Å; P817-I820 PolarHBondContact O-N 3.11Å; P817-A821 PolarHBondContact O-N 3.23Å
818	G	82.8	Confident	82.9	Confident	37 Å²	37	63.5 Å²	63.5	38%	0.381	37%	0.365	S	S	.	.	H	α-helix	trans	-65.6	-32.5	174.3	0	0	0	0	0	114	H816 A821 L822	H816-G818 PolarHBondContact ND1-N 2.55Å; H816-G818 PolarHBondContact O-N 2.75Å; H816-G818 VanDerWaalsContact O-N 3.08Å; G818-A821 PolarHBondContact O-N 2.98Å; G818-L822 PolarHBondContact O-N 2.76Å
819	T	83.9	Confident	84.3	Confident	10 Å²	10	66.1 Å²	66.1	6%	0.061	38%	0.379	C	S	.	.	H	α-helix	trans	-67.3	-43.7	173.1	-57.4	0	0	0	0	110.7	M800 L815 H816 P817 A821 L822 I823	M800-T819 WeakPolarHBondContact CA-OG1 3.47Å; M800-T819 HydrophobicContact CB-CG2 4.01Å; M800-T819 WeakPolarHBondContact CB-OG1 3.25Å; M800-T819 HydrophobicContact CE-CG2 3.39Å; M800-T819 HydrophobicContact CG-CG2 4.43Å; M800-T819 PolarHBondContact O-OG1 2.87Å; M800-T819 HydrophobicContact SD-CG2 4.04Å; L815-T819 HydrophobicContact CD1-CG2 4.46Å; L815-T819 HydrophobicContact CD2-CG2 3.72Å; L815-T819 HydrophobicContact CG-CG2 3.92Å; H816-T819 WeakPolarHBondContact O-CA 3.41Å; H816-T819 VanDerWaalsContact O-CB 3.25Å; H816-T819 WeakPolarHBondContact O-CB 3.24Å; H816-T819 PolarHBondContact O-N 3.05Å; P817-T819 VanDerWaalsContact C-N 3.34Å; P817-T819 PolarHBondContact O-N 2.77Å; T819-A821 VanDerWaalsContact C-N 3.3Å; T819-A821 PolarHBondContact O-N 3.01Å; T819-L822 PolarHBondContact O-N 2.9Å; T819-L822 VanDerWaalsContact O-N 3.16Å; T819-I823 HydrophobicContact CG2-CD1 3.83Å; T819-I823 HydrophobicContact CG2-CG1 4.34Å; T819-I823 WeakPolarHBondContact O-CG1 3.42Å; T819-I823 PolarHBondContact O-N 2.78Å
820	I	84.7	Confident	85.6	Confident	87 Å²	87	68.9 Å²	68.9	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-58.1	-46.9	176.4	-59.4	173	0	0	0	109.5	L815 H816 P817 L822 I823 V824	L815-I820 HydrophobicContact CB-CD1 4.38Å; L815-I820 HydrophobicContact CB-CG1 4.17Å; L815-I820 HydrophobicContact CD2-CG1 3.63Å; L815-I820 HydrophobicContact CG-CG1 4.36Å; H816-I820 PolarHBondContact O-N 3.12Å; P817-I820 PolarHBondContact O-N 3.11Å; I820-L822 VanDerWaalsContact C-N 3.33Å; I820-L822 PolarHBondContact O-N 3.12Å; I820-I823 PolarHBondContact O-N 2.81Å; I820-V824 HydrophobicContact CG2-CG2 4.48Å; I820-V824 VanDerWaalsContact O-CG2 3.31Å; I820-V824 WeakPolarHBondContact O-CG2 3.28Å; I820-V824 PolarHBondContact O-N 3.5Å
821	A	85.3	Confident	86.6	Confident	44 Å²	44	72.4 Å²	72.4	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-57.7	-45	176.2	0	0	0	0	0	112	P817 G818 T819 V824 F825	P817-A821 PolarHBondContact O-N 3.23Å; G818-A821 PolarHBondContact O-N 2.98Å; T819-A821 VanDerWaalsContact C-N 3.3Å; T819-A821 PolarHBondContact O-N 3.01Å; A821-V824 PolarHBondContact O-N 3.14Å; A821-F825 WeakPolarHBondContact O-CD2 3.34Å; A821-F825 PolarHBondContact O-N 3.24Å
822	L	88.5	Confident	87.5	Confident	108 Å²	108	73.5 Å²	73.5	57%	0.565	42%	0.42	S	S	*	.	H	α-helix	trans	-63.4	-42.4	179.3	-166.2	152.8	0	0	0	112.3	G818 T819 I820 V824 F825 A826	G818-L822 PolarHBondContact O-N 2.76Å; T819-L822 PolarHBondContact O-N 2.9Å; T819-L822 VanDerWaalsContact O-N 3.16Å; I820-L822 VanDerWaalsContact C-N 3.33Å; I820-L822 PolarHBondContact O-N 3.12Å; L822-V824 VanDerWaalsContact C-N 3.34Å; L822-F825 PolarHBondContact O-N 2.88Å; L822-A826 WeakPolarHBondContact O-CB 3.29Å; L822-A826 PolarHBondContact O-N 2.97Å
823	I	88	Confident	88.2	Confident	93 Å²	93	72.6 Å²	72.6	48%	0.477	42%	0.423	S	S	.	.	H	α-helix	trans	-62.4	-43	175.7	-67	167.9	0	0	0	110.5	L815 T819 I820 A826 A827	L815-I823 HydrophobicContact CD2-CD1 3.9Å; T819-I823 HydrophobicContact CG2-CD1 3.83Å; T819-I823 HydrophobicContact CG2-CG1 4.34Å; T819-I823 WeakPolarHBondContact O-CG1 3.42Å; T819-I823 PolarHBondContact O-N 2.78Å; I820-I823 PolarHBondContact O-N 2.81Å; I823-A826 PolarHBondContact O-N 2.87Å; I823-A827 WeakPolarHBondContact O-CB 3.5Å; I823-A827 PolarHBondContact O-N 2.98Å
824	V	91	Very high	88.7	Confident	76 Å²	76	76.1 Å²	76.1	46%	0.461	44%	0.44	S	S	.	.	H	α-helix	trans	-63	-45.3	177.4	172.2	0	0	0	0	111.1	I820 A821 L822 A826 A827 I828	I820-V824 HydrophobicContact CG2-CG2 4.48Å; I820-V824 VanDerWaalsContact O-CG2 3.31Å; I820-V824 WeakPolarHBondContact O-CG2 3.28Å; I820-V824 PolarHBondContact O-N 3.5Å; A821-V824 PolarHBondContact O-N 3.14Å; L822-V824 VanDerWaalsContact C-N 3.34Å; V824-A826 PolarHBondContact O-N 3.31Å; V824-A827 PolarHBondContact O-N 3.1Å; V824-I828 HydrophobicContact CG1-CD1 3.81Å; V824-I828 HydrophobicContact CG1-CG1 4.48Å; V824-I828 VanDerWaalsContact O-CG1 3.27Å; V824-I828 WeakPolarHBondContact O-CG1 3.26Å; V824-I828 PolarHBondContact O-N 3.26Å
825	F	90.8	Very high	89	Confident	141 Å²	141	79.3 Å²	79.3	62%	0.618	45%	0.454	S	S	*	.	H	α-helix	trans	-61.2	-42.7	175.4	-79.4	-64.8	0	0	0	112.3	A821 L822 I828 L829	A821-F825 WeakPolarHBondContact O-CD2 3.34Å; A821-F825 PolarHBondContact O-N 3.24Å; L822-F825 PolarHBondContact O-N 2.88Å; F825-I828 PolarHBondContact O-N 3.03Å; F825-L829 WeakPolarHBondContact O-CG 3.46Å; F825-L829 PolarHBondContact O-N 2.61Å
826	A	90.4	Very high	89.4	Confident	53 Å²	53	78.6 Å²	78.6	44%	0.438	46%	0.456	S	S	.	.	H	α-helix	trans	-63.8	-41.2	177	0	0	0	0	0	112.2	L822 I823 V824 L829 L830	L822-A826 WeakPolarHBondContact O-CB 3.29Å; L822-A826 PolarHBondContact O-N 2.97Å; I823-A826 PolarHBondContact O-N 2.87Å; V824-A826 PolarHBondContact O-N 3.31Å; A826-L829 PolarHBondContact O-N 3.4Å; A826-L830 WeakPolarHBondContact O-CB 3.23Å; A826-L830 PolarHBondContact O-N 2.88Å
827	A	91.6	Very high	89.8	Confident	49 Å²	49	79.6 Å²	79.6	41%	0.405	46%	0.464	S	S	.	.	H	α-helix	trans	-64.7	-42.7	176.4	0	0	0	0	0	112	I823 V824 L829 L830 T831	I823-A827 WeakPolarHBondContact O-CB 3.5Å; I823-A827 PolarHBondContact O-N 2.98Å; V824-A827 PolarHBondContact O-N 3.1Å; A827-L829 PolarHBondContact O-N 3.05Å; A827-L830 PolarHBondContact O-N 3.28Å; A827-T831 WeakPolarHBondContact O-CG2 3.21Å; A827-T831 PolarHBondContact O-N 3.21Å; A827-T831 PolarHBondContact O-OG1 2.83Å
828	I	93.6	Very high	90.2	Very high	83 Å²	83	79.7 Å²	79.7	43%	0.426	46%	0.459	S	S	.	.	H	α-helix	trans	-60.6	-46.9	175.1	-68.2	166.6	0	0	0	110.1	V824 F825 L830 T831 I832	V824-I828 HydrophobicContact CG1-CD1 3.81Å; V824-I828 HydrophobicContact CG1-CG1 4.48Å; V824-I828 VanDerWaalsContact O-CG1 3.27Å; V824-I828 WeakPolarHBondContact O-CG1 3.26Å; V824-I828 PolarHBondContact O-N 3.26Å; F825-I828 PolarHBondContact O-N 3.03Å; I828-L830 VanDerWaalsContact C-N 3.34Å; I828-L830 PolarHBondContact O-N 3.14Å; I828-T831 PolarHBondContact O-N 3.05Å; I828-T831 PolarHBondContact O-OG1 3.43Å; I828-I832 HydrophobicContact CG2-CD1 3.85Å; I828-I832 WeakPolarHBondContact O-CG1 3.2Å; I828-I832 PolarHBondContact O-N 2.69Å
829	L	93.5	Very high	90.5	Very high	117 Å²	117	84.5 Å²	84.5	61%	0.613	47%	0.466	S	S	*	.	H	α-helix	trans	-62.1	-39.4	177.5	-70.9	174.4	0	0	0	112.8	F825 A826 A827 I832 A833	F825-L829 WeakPolarHBondContact O-CG 3.46Å; F825-L829 PolarHBondContact O-N 2.61Å; A826-L829 PolarHBondContact O-N 3.4Å; A827-L829 PolarHBondContact O-N 3.05Å; L829-I832 PolarHBondContact O-N 2.89Å; L829-A833 WeakPolarHBondContact O-CB 3.48Å; L829-A833 PolarHBondContact O-N 3.47Å
830	L	94.5	Very high	90.6	Very high	112 Å²	112	90.1 Å²	90.1	59%	0.586	49%	0.49	S	S	*	.	H	α-helix	trans	-63.5	-45.5	175.7	-172.6	81.6	0	0	0	111.6	A826 A827 I828 I832 A833 I834	A826-L830 WeakPolarHBondContact O-CB 3.23Å; A826-L830 PolarHBondContact O-N 2.88Å; A827-L830 PolarHBondContact O-N 3.28Å; I828-L830 VanDerWaalsContact C-N 3.34Å; I828-L830 PolarHBondContact O-N 3.14Å; L830-I832 VanDerWaalsContact C-N 3.34Å; L830-I832 PolarHBondContact O-N 2.89Å; L830-A833 WeakPolarHBondContact O-CB 3.37Å; L830-A833 PolarHBondContact O-N 3.22Å; L830-A833 VanDerWaalsContact O-N 3.17Å; L830-I834 HydrophobicContact CD2-CD1 4.34Å; L830-I834 HydrophobicContact CG-CD1 4.1Å; L830-I834 WeakPolarHBondContact O-CG1 3.43Å; L830-I834 PolarHBondContact O-N 3.41Å
831	T	92.8	Very high	90.6	Very high	74 Å²	74	90.6 Å²	90.6	45%	0.454	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-40.8	178.1	55.9	0	0	0	0	111.9	A827 I828 A833 I834 I835	A827-T831 WeakPolarHBondContact O-CG2 3.21Å; A827-T831 PolarHBondContact O-N 3.21Å; A827-T831 PolarHBondContact O-OG1 2.83Å; I828-T831 PolarHBondContact O-N 3.05Å; I828-T831 PolarHBondContact O-OG1 3.43Å; T831-A833 VanDerWaalsContact C-N 3.34Å; T831-A833 PolarHBondContact O-N 2.92Å; T831-I834 PolarHBondContact O-N 3.36Å; T831-I835 VanDerWaalsContact O-CG1 3.25Å; T831-I835 WeakPolarHBondContact O-CG1 3.16Å; T831-I835 PolarHBondContact O-N 2.88Å
832	I	93.2	Very high	90.4	Very high	97 Å²	97	93.5 Å²	93.5	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-42.7	173.7	-66.9	167.8	0	0	0	110.7	I828 L829 L830 I835 A836	I828-I832 HydrophobicContact CG2-CD1 3.85Å; I828-I832 WeakPolarHBondContact O-CG1 3.2Å; I828-I832 PolarHBondContact O-N 2.69Å; L829-I832 PolarHBondContact O-N 2.89Å; L830-I832 VanDerWaalsContact C-N 3.34Å; L830-I832 PolarHBondContact O-N 2.89Å; I832-I835 PolarHBondContact O-N 3.18Å; I832-A836 WeakPolarHBondContact O-CB 3.49Å; I832-A836 PolarHBondContact O-N 3.26Å
833	A	92.7	Very high	90.1	Very high	56 Å²	56	95 Å²	95	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-41.3	177.8	0	0	0	0	0	112.6	L829 L830 T831 A836 L837	L829-A833 WeakPolarHBondContact O-CB 3.48Å; L829-A833 PolarHBondContact O-N 3.47Å; L830-A833 WeakPolarHBondContact O-CB 3.37Å; L830-A833 PolarHBondContact O-N 3.22Å; L830-A833 VanDerWaalsContact O-N 3.17Å; T831-A833 VanDerWaalsContact C-N 3.34Å; T831-A833 PolarHBondContact O-N 2.92Å; A833-A836 PolarHBondContact O-N 3.38Å; A833-L837 WeakPolarHBondContact O-CB 3.45Å; A833-L837 PolarHBondContact O-N 3.16Å
834	I	93.4	Very high	89.5	Confident	87 Å²	87	93.8 Å²	93.8	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-45.7	175.9	-67.1	167.6	0	0	0	110.6	L830 T831 A836 L837 I838	L830-I834 HydrophobicContact CD2-CD1 4.34Å; L830-I834 HydrophobicContact CG-CD1 4.1Å; L830-I834 WeakPolarHBondContact O-CG1 3.43Å; L830-I834 PolarHBondContact O-N 3.41Å; T831-I834 PolarHBondContact O-N 3.36Å; I834-A836 VanDerWaalsContact C-N 3.33Å; I834-A836 PolarHBondContact O-N 2.62Å; I834-L837 PolarHBondContact O-N 3.19Å; I834-I838 HydrophobicContact CG2-CD1 3.84Å; I834-I838 HydrophobicContact CG2-CG1 4.42Å; I834-I838 WeakPolarHBondContact O-CG1 3.41Å; I834-I838 PolarHBondContact O-N 3.1Å
835	I	92.1	Very high	88.3	Confident	114 Å²	114	94.6 Å²	94.6	59%	0.585	50%	0.495	S	S	*	.	H	α-helix	trans	-60.5	-44.3	177	-68.7	165.8	0	0	0	110.4	T831 I832 L837 I838 Y839	T831-I835 VanDerWaalsContact O-CG1 3.25Å; T831-I835 WeakPolarHBondContact O-CG1 3.16Å; T831-I835 PolarHBondContact O-N 2.88Å; I832-I835 PolarHBondContact O-N 3.18Å; I835-L837 VanDerWaalsContact C-N 3.34Å; I835-L837 PolarHBondContact O-N 2.71Å; I835-I838 PolarHBondContact O-N 3.39Å; I835-Y839 WeakPolarHBondContact O-CB 3.33Å; I835-Y839 PolarHBondContact O-N 2.7Å
836	A	90.2	Very high	87.1	Confident	41 Å²	41	90.8 Å²	90.8	34%	0.339	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-43.6	175.9	0	0	0	0	0	111.5	I832 A833 I834 Y839 F840	I832-A836 WeakPolarHBondContact O-CB 3.49Å; I832-A836 PolarHBondContact O-N 3.26Å; A833-A836 PolarHBondContact O-N 3.38Å; I834-A836 VanDerWaalsContact C-N 3.33Å; I834-A836 PolarHBondContact O-N 2.62Å; A836-Y839 WeakPolarHBondContact O-CB 3.43Å; A836-Y839 PolarHBondContact O-N 2.82Å; A836-F840 WeakPolarHBondContact O-CD2 3.39Å; A836-F840 PolarHBondContact O-N 2.9Å
837	L	91.6	Very high	85.8	Confident	108 Å²	108	92.5 Å²	92.5	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-64.8	-43.3	178.6	-171	140.9	0	0	0	112.1	A833 I834 I835 F840 I841	A833-L837 WeakPolarHBondContact O-CB 3.45Å; A833-L837 PolarHBondContact O-N 3.16Å; I834-L837 PolarHBondContact O-N 3.19Å; I835-L837 VanDerWaalsContact C-N 3.34Å; I835-L837 PolarHBondContact O-N 2.71Å; L837-F840 PolarHBondContact O-N 3.25Å; L837-I841 HydrophobicContact CD2-CD1 3.52Å; L837-I841 HydrophobicContact CD2-CG1 4.33Å; L837-I841 HydrophobicContact CG-CD1 4.46Å; L837-I841 WeakPolarHBondContact O-CG1 3.42Å; L837-I841 PolarHBondContact O-N 3.26Å
838	I	89.8	Confident	84.4	Confident	86 Å²	86	95.8 Å²	95.8	44%	0.441	49%	0.492	S	S	.	.	H	α-helix	trans	-60.9	-45.9	173.9	-67.5	168	0	0	0	110.4	I834 I835 F840 I841 I842	I834-I838 HydrophobicContact CG2-CD1 3.84Å; I834-I838 HydrophobicContact CG2-CG1 4.42Å; I834-I838 WeakPolarHBondContact O-CG1 3.41Å; I834-I838 PolarHBondContact O-N 3.1Å; I835-I838 PolarHBondContact O-N 3.39Å; I838-F840 VanDerWaalsContact C-N 3.31Å; I838-F840 PolarHBondContact O-N 3.37Å; I838-I841 PolarHBondContact O-N 3.34Å; I838-I842 HydrophobicContact CG2-CD1 3.78Å; I838-I842 HydrophobicContact CG2-CG1 4.39Å; I838-I842 WeakPolarHBondContact O-CG1 2.99Å; I838-I842 PolarHBondContact O-N 3.09Å
839	Y	88.2	Confident	82.8	Confident	139 Å²	139	97.5 Å²	97.5	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-58.6	-43.4	176.1	178.2	-98.6	0	0	0	111.7	I835 A836 R843	I835-Y839 WeakPolarHBondContact O-CB 3.33Å; I835-Y839 PolarHBondContact O-N 2.7Å; A836-Y839 WeakPolarHBondContact O-CB 3.43Å; A836-Y839 PolarHBondContact O-N 2.82Å; Y839-R843 VanDerWaalsContact O-CB 3.27Å; Y839-R843 WeakPolarHBondContact O-CB 3.34Å; Y839-R843 PolarHBondContact O-N 3.38Å
840	F	86.7	Confident	81.1	Confident	128 Å²	128	97.4 Å²	97.4	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-44.6	174.6	-86.5	-69.6	0	0	0	112	A836 L837 I838 R843 T844	A836-F840 WeakPolarHBondContact O-CD2 3.39Å; A836-F840 PolarHBondContact O-N 2.9Å; L837-F840 PolarHBondContact O-N 3.25Å; I838-F840 VanDerWaalsContact C-N 3.31Å; I838-F840 PolarHBondContact O-N 3.37Å; F840-R843 PolarHBondContact O-N 3.14Å; F840-T844 WeakPolarHBondContact O-CB 2.94Å; F840-T844 PolarHBondContact O-N 2.71Å; F840-T844 PolarHBondContact O-OG1 3.22Å
841	I	83.7	Confident	79.3	Confident	97 Å²	97	100.6 Å²	100.6	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-50.1	178	-68.9	171.5	0	0	0	111.2	L837 I838 R843 T844 E845	L837-I841 HydrophobicContact CD2-CD1 3.52Å; L837-I841 HydrophobicContact CD2-CG1 4.33Å; L837-I841 HydrophobicContact CG-CD1 4.46Å; L837-I841 WeakPolarHBondContact O-CG1 3.42Å; L837-I841 PolarHBondContact O-N 3.26Å; I838-I841 PolarHBondContact O-N 3.34Å; I841-R843 VanDerWaalsContact C-N 3.31Å; I841-R843 PolarHBondContact O-N 3.2Å; I841-T844 PolarHBondContact O-N 3.15Å; I841-T844 VanDerWaalsContact O-N 3.12Å; I841-E845 PolarHBondContact O-N 3.18Å
842	I	82.9	Confident	77.6	Confident	105 Å²	105	102.9 Å²	102.9	54%	0.538	51%	0.511	S	S	.	.	H	α-helix	trans	-59.4	-43.8	179	-65.9	169.8	0	0	0	110.7	I838 T844 E845 S846	I838-I842 HydrophobicContact CG2-CD1 3.78Å; I838-I842 HydrophobicContact CG2-CG1 4.39Å; I838-I842 WeakPolarHBondContact O-CG1 2.99Å; I838-I842 PolarHBondContact O-N 3.09Å; I842-T844 VanDerWaalsContact C-N 3.3Å; I842-T844 PolarHBondContact O-N 2.83Å; I842-E845 PolarHBondContact O-N 2.59Å; I842-S846 PolarHBondContact O-N 3.04Å; I842-S846 VanDerWaalsContact O-N 3.09Å; I842-S846 PolarHBondContact O-OG 2.56Å
843	R	80.8	Confident	75.7	Confident	138 Å²	138	106 Å²	106	52%	0.521	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-35.3	178.7	-164.3	177.7	-176	-166.4	2.1	111.8	Y839 F840 I841 I847	Y839-R843 VanDerWaalsContact O-CB 3.27Å; Y839-R843 WeakPolarHBondContact O-CB 3.34Å; Y839-R843 PolarHBondContact O-N 3.38Å; F840-R843 PolarHBondContact O-N 3.14Å; I841-R843 VanDerWaalsContact C-N 3.31Å; I841-R843 PolarHBondContact O-N 3.2Å; R843-I847 HydrophobicContact CG-CD1 4.36Å; R843-I847 VanDerWaalsContact O-CG1 3.3Å; R843-I847 WeakPolarHBondContact O-CG1 3.24Å; R843-I847 PolarHBondContact O-N 2.8Å; R843-I847 VanDerWaalsContact O-N 3.13Å
844	T	75.1	Confident	74	Confident	69 Å²	69	111 Å²	111	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-70.1	-41.7	179.3	-40.5	0	0	0	0	111.8	F840 I841 I842 S846 I847 K848	F840-T844 WeakPolarHBondContact O-CB 2.94Å; F840-T844 PolarHBondContact O-N 2.71Å; F840-T844 PolarHBondContact O-OG1 3.22Å; I841-T844 PolarHBondContact O-N 3.15Å; I841-T844 VanDerWaalsContact O-N 3.12Å; I842-T844 VanDerWaalsContact C-N 3.3Å; I842-T844 PolarHBondContact O-N 2.83Å; T844-S846 VanDerWaalsContact C-N 3.35Å; T844-I847 PolarHBondContact O-N 2.81Å; T844-K848 PolarHBondContact O-N 2.84Å
845	E	67.6	Low	72.2	Confident	92 Å²	92	114.9 Å²	114.9	43%	0.43	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-37.7	175.4	-73.8	-57.8	130.9	0	0	112.3	I841 I842 I847 K848 Q849	I841-E845 PolarHBondContact O-N 3.18Å; I842-E845 PolarHBondContact O-N 2.59Å; E845-I847 VanDerWaalsContact C-N 3.3Å; E845-I847 PolarHBondContact O-N 2.95Å; E845-K848 PolarHBondContact O-N 2.83Å; E845-K848 IonicContact OE1-NZ 3.69Å; E845-K848 PolarHBondContact OE1-NZ 2.93Å; E845-Q849 WeakPolarHBondContact O-CG 3.38Å; E845-Q849 PolarHBondContact O-N 2.99Å
846	S	64.5	Low	70.1	Confident	62 Å²	62	117.7 Å²	117.7	43%	0.434	58%	0.576	S	S	.	*	H	α-helix	trans	-60.9	-39.4	173.4	-53.7	0	0	0	0	111.8	I842 T844 L850	I842-S846 PolarHBondContact O-N 3.04Å; I842-S846 VanDerWaalsContact O-N 3.09Å; I842-S846 PolarHBondContact O-OG 2.56Å; T844-S846 VanDerWaalsContact C-N 3.35Å; S846-L850 PolarHBondContact O-N 3.2Å; S846-L850 VanDerWaalsContact O-N 3.13Å
847	I	63.2	Low	69.1	Low	89 Å²	89	121.6 Å²	121.6	46%	0.456	59%	0.587	S	S	.	*	H	α-helix	trans	-70.2	-37.2	177.1	-69.4	166.5	0	0	0	111.6	R843 T844 E845 L850 R851	R843-I847 HydrophobicContact CG-CD1 4.36Å; R843-I847 VanDerWaalsContact O-CG1 3.3Å; R843-I847 WeakPolarHBondContact O-CG1 3.24Å; R843-I847 PolarHBondContact O-N 2.8Å; R843-I847 VanDerWaalsContact O-N 3.13Å; T844-I847 PolarHBondContact O-N 2.81Å; E845-I847 VanDerWaalsContact C-N 3.3Å; E845-I847 PolarHBondContact O-N 2.95Å; I847-L850 PolarHBondContact O-N 3.05Å; I847-R851 PolarHBondContact O-N 3.08Å; I847-R851 VanDerWaalsContact O-N 3.08Å
848	K	61.9	Low	67.9	Low	118 Å²	118	122.3 Å²	122.3	51%	0.513	59%	0.589	S	S	.	*	H	α-helix	trans	-64.9	-43.6	175.3	-71.2	179.8	-170.2	165	0	112	T844 E845 L850 R851 L852	T844-K848 PolarHBondContact O-N 2.84Å; E845-K848 PolarHBondContact O-N 2.83Å; E845-K848 IonicContact OE1-NZ 3.69Å; E845-K848 PolarHBondContact OE1-NZ 2.93Å; K848-L850 VanDerWaalsContact C-N 3.31Å; K848-L850 PolarHBondContact O-N 3.21Å; K848-R851 PolarHBondContact O-N 2.93Å; K848-L852 PolarHBondContact O-N 2.81Å
849	Q	60.6	Low	66.6	Low	118 Å²	118	124.3 Å²	124.3	55%	0.551	60%	0.597	S	S	*	*	H	α-helix	trans	-62.4	-37.3	176.1	-73.3	-77.5	4.7	0	0	112.1	E845 K853	E845-Q849 WeakPolarHBondContact O-CG 3.38Å; E845-Q849 PolarHBondContact O-N 2.99Å; Q849-K853 PolarHBondContact O-N 2.84Å
850	L	57.4	Low	65.4	Low	116 Å²	116	123.4 Å²	123.4	61%	0.607	60%	0.6	S	S	*	*	H	α-helix	trans	-66.4	-37	174.2	-90.3	154.2	0	0	0	113	S846 I847 K848 Q854	S846-L850 PolarHBondContact O-N 3.2Å; S846-L850 VanDerWaalsContact O-N 3.13Å; I847-L850 PolarHBondContact O-N 3.05Å; K848-L850 VanDerWaalsContact C-N 3.31Å; K848-L850 PolarHBondContact O-N 3.21Å; L850-Q854 PolarHBondContact O-N 3.2Å
851	R	57.7	Low	64	Low	179 Å²	179	123.1 Å²	123.1	68%	0.675	60%	0.602	S	S	*	*	H	α-helix	trans	-73.4	-33.8	175.8	-73.7	-149.6	177.8	-167.7	1	113.4	I847 K848 Q854	I847-R851 PolarHBondContact O-N 3.08Å; I847-R851 VanDerWaalsContact O-N 3.08Å; K848-R851 PolarHBondContact O-N 2.93Å; R851-Q854 PolarHBondContact O-N 2.87Å
852	L	55.6	Low	62.7	Low	122 Å²	122	124.9 Å²	124.9	64%	0.639	61%	0.609	S	S	*	*	H	α-helix	trans	-67.8	-37.6	177.6	-146	83.9	0	0	0	111.7	K848 Q854 M855 T856	K848-L852 PolarHBondContact O-N 2.81Å; L852-Q854 VanDerWaalsContact C-N 3.25Å; L852-Q854 PolarHBondContact O-N 2.81Å; L852-M855 PolarHBondContact O-N 3.42Å; L852-T856 PolarHBondContact O-OG1 3.13Å
853	K	55.1	Low	61.3	Low	162 Å²	162	126.3 Å²	126.3	70%	0.704	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-16.1	174.7	-77.4	-172	176.6	-174.5	0	114.8	Q849	Q849-K853 PolarHBondContact O-N 2.84Å
854	Q	55.5	Low	59.8	Low	162 Å²	162	125.4 Å²	125.4	76%	0.757	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-7.7	174.3	-77.9	-172.5	-26.8	0	0	113.4	L850 R851 L852	L850-Q854 PolarHBondContact O-N 3.2Å; R851-Q854 PolarHBondContact O-N 2.87Å; L852-Q854 VanDerWaalsContact C-N 3.25Å; L852-Q854 PolarHBondContact O-N 2.81Å
855	M	55.3	Low	58.5	Low	168 Å²	168	130.1 Å²	130.1	83%	0.828	64%	0.638	S	S	*	*			trans	-102.5	-0.5	176.1	-69.8	-175.5	175.4	0	0	113.4	L852	L852-M855 PolarHBondContact O-N 3.42Å
856	T	48	Very low	57.7	Low	173 Å²	173	133.5 Å²	133.5	100%	1.061	66%	0.657	S	S	*	*			trans	-105.6	0	166.2	-14.4	0	0	0	0	107.5	L852	L852-T856 PolarHBondContact O-OG1 3.13Å

Retrieved 856 of 856 residues in 1892.2 ms (Link to these results)

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