A0A5K4FE29_SCHMA Loading...

Cadherin

AlphaFold DB , UniProt , Accession A0A5K4FE29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,189 aa.

						>A0A5K4FE29_SCHMA|A0A5K4FE29
MELWRQNAKIYIFYFLFIINSVFIYQVFGSCFQSSGSISITYEIIEESNIPLIISNLKKDLCIDQYSIENFISFNKPNINQHEFIIFPTSQPYYKYFIIKTETIATTNLNEQYLILNQSIDRELLCNKTNDVTNSHSNVLQLNGNENFYSNTYIQQYYNENNNILCNCYDLLGWCTIYLHLALIPLHNNRLYNRIHSSNMSLLNNTQESSMLTKPTTDYWLNSISSMKFFIIELKIIDINDNIPIFNPSNYKIIISESDKPGINYRLPIAYDQDLGINSLIHYNITFIHAINNQDHTIELFSINNTNITNNSNNNNNQFILIQDNNHNHNHPETQSINQYNKNQLYIQLIDSLDRELYHQYYIQIIAMDQSINHRKTGTLTLFIEIADINDQLPIFEYNQYLFHLIENSPKGTLIGQVKANDIDDGINSMIKYNIKEIKPIINNNNNNDYYYYNDNNNNQLINIDPITGEIKLINIIDREKLLKLYLIIEAKDNGQPSKSTITNVIIEIDDINDNNPIIDLWGYKEILNSTGIMMTTTTSTTDIQHSSLIPFYLISSENSFIPIHIWVSELLNIRSILSIVKVNDLDQGINGTVQCILNDSYFILQPELANNNNNNDNQMKSYYIILSKSLDYELQIIHHLPILCYDLGVPIARTSTVLLNIHIKDENDNEPKFLIPEIFTPAQWINKVQFINHYQDNNDNNDNNNNMNSIFDFHQNLLNLMLTPLEILIPETCPINTVILKFPVLDIDSGMNSMLNYELRSINQYLLNSLNLSGSTEINNMIDFIRINHTTGEIIICQSLKLIPEYYKYIYEVIVKDQGIPSKVSRLHFSLQILIVNSFPPEVELLKPNHLNRTILEVHKSKSNKKYEIEMYENEPAGTQIARMIGYDPDRGDAGRITFILIQNLIKTCIGSYKKIDDAISIDPNKGLITTLRPLDRELDGNLLLLTLHIQDHGIPIYTTTIHIHIKILDINDNPPIFLLPLYSCHSLDRLRNSDHQKHDRSSCHSSNIYPTPNITNQLYNMTIVLPKQSNHDLLHSFIQFQTIDYDLGINSMITYHLDHNCSQLNLFNNDYLLNYLFIIDQLSGCLSIISKFFYEKLYTTYKLCIIAKDHGQFIQHYSILKLLIEIQLHNHNHNQSIIFINYSIQSINYLMKNQLINNLSIINNHQINKSILPLNYIDQQQNNNNNK
					

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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	41.6	Very low	41.3	Very low	218 Å²	218	152.7 Å²	152.7	100%	1.074	70%	0.7	S	S	*	*				0	-31	0	-83.3	-157.7	172.7	0	0	112.8	W4	M1-W4 PolarHBondContact O-N 2.95Å
2	E	38.7	Very low	41.9	Very low	163 Å²	163	148.5 Å²	148.5	76%	0.762	69%	0.685	S	S	*	*	H	α-helix	trans	-66.3	-33.9	173.9	-76.2	175.5	142.9	0	0	114.2	W4 R5 Q6	E2-W4 VanDerWaalsContact C-N 3.29Å; E2-W4 PolarHBondContact O-N 3.24Å; E2-R5 PolarHBondContact O-N 2.78Å; E2-Q6 PolarHBondContact O-N 3.01Å
3	L	37.5	Very low	42.2	Very low	138 Å²	138	148.3 Å²	148.3	72%	0.723	68%	0.682	S	S	*	*	H	α-helix	trans	-60.8	-33.4	176.5	-102.7	95	0	0	0	114
4	W	34.8	Very low	42	Very low	228 Å²	228	148.6 Å²	148.6	86%	0.864	68%	0.676	S	S	*	*	H	α-helix	trans	-81.7	-25.4	179	-95	69.3	0	0	0	113	M1 E2 A8	M1-W4 PolarHBondContact O-N 2.95Å; E2-W4 VanDerWaalsContact C-N 3.29Å; E2-W4 PolarHBondContact O-N 3.24Å; W4-A8 PolarHBondContact O-N 2.96Å
5	R	39.7	Very low	42	Very low	207 Å²	207	148.5 Å²	148.5	78%	0.781	67%	0.674	S	S	*	*	H	α-helix	trans	-77.3	-31.9	177.2	-93.8	-176.1	169.7	-178.8	-2.2	113	E2	E2-R5 PolarHBondContact O-N 2.78Å
6	Q	43	Very low	42.1	Very low	139 Å²	139	145.4 Å²	145.4	65%	0.65	66%	0.664	S	S	*	*	H	α-helix	trans	-72.5	-41.7	177.6	-81.3	179.8	-20.6	0	0	112.1	E2 A8 K9 I10	E2-Q6 PolarHBondContact O-N 3.01Å; Q6-A8 PolarHBondContact O-N 3.2Å; Q6-K9 PolarHBondContact O-N 2.89Å; Q6-I10 PolarHBondContact O-N 2.87Å
7	N	42.3	Very low	41.8	Very low	97 Å²	97	145.2 Å²	145.2	52%	0.519	66%	0.661	S	S	.	*	H	α-helix	trans	-70.2	-36	-179.8	-70.7	-12.7	0	0	0	112.7	K9 I10 Y11	N7-K9 PolarHBondContact O-N 3.48Å; N7-I10 PolarHBondContact O-N 2.8Å; N7-Y11 VanDerWaalsContact O-CD2 3.31Å; N7-Y11 WeakPolarHBondContact O-CD2 3.22Å; N7-Y11 PolarHBondContact O-N 3.46Å
8	A	45.5	Very low	41.6	Very low	50 Å²	50	142 Å²	142	41%	0.413	65%	0.65	S	S	.	*	H	α-helix	trans	-66.1	-33.9	178.9	0	0	0	0	0	113.4	W4 Q6 I12	W4-A8 PolarHBondContact O-N 2.96Å; Q6-A8 PolarHBondContact O-N 3.2Å; A8-I12 WeakPolarHBondContact O-CB 3.22Å; A8-I12 WeakPolarHBondContact O-CD1 3.39Å; A8-I12 VanDerWaalsContact O-CG1 3.23Å; A8-I12 WeakPolarHBondContact O-CG1 3.38Å; A8-I12 PolarHBondContact O-N 2.96Å; A8-I12 VanDerWaalsContact O-N 3.12Å
9	K	41.6	Very low	41.5	Very low	162 Å²	162	139.4 Å²	139.4	70%	0.704	64%	0.64	S	S	*	*	H	α-helix	trans	-71.9	-35.6	177.5	-87.6	-174.1	173.8	-176	0	112.8	Q6 N7 I12 F13	Q6-K9 PolarHBondContact O-N 2.89Å; N7-K9 PolarHBondContact O-N 3.48Å; K9-I12 PolarHBondContact O-N 2.86Å; K9-F13 PolarHBondContact O-N 2.67Å
10	I	46	Very low	41.2	Very low	100 Å²	100	138 Å²	138	51%	0.513	64%	0.638	S	S	.	*	H	α-helix	trans	-69.8	-40.6	179.3	-67.3	167.4	0	0	0	110.4	Q6 N7 F13 Y14	Q6-I10 PolarHBondContact O-N 2.87Å; N7-I10 PolarHBondContact O-N 2.8Å; I10-F13 PolarHBondContact O-N 3.22Å; I10-Y14 HydrophobicContact CG2-CD2 4.47Å; I10-Y14 PolarHBondContact O-N 2.76Å
11	Y	43.9	Very low	40.8	Very low	178 Å²	178	135.3 Å²	135.3	70%	0.698	64%	0.635	S	S	*	*	H	α-helix	trans	-69.2	-34.9	175.1	-81.6	-74.8	0	0	0	113.2	N7 Y14 F15	N7-Y11 VanDerWaalsContact O-CD2 3.31Å; N7-Y11 WeakPolarHBondContact O-CD2 3.22Å; N7-Y11 PolarHBondContact O-N 3.46Å; Y11-Y14 PolarHBondContact O-N 2.84Å; Y11-F15 WeakPolarHBondContact O-CB 3.2Å; Y11-F15 PolarHBondContact O-N 3.31Å
12	I	48	Very low	40.4	Very low	102 Å²	102	129.6 Å²	129.6	52%	0.523	61%	0.612	S	S	.	*	H	α-helix	trans	-68.6	-37.8	175.9	-70.7	166.3	0	0	0	111.3	A8 K9 F15 L16	A8-I12 WeakPolarHBondContact O-CB 3.22Å; A8-I12 WeakPolarHBondContact O-CD1 3.39Å; A8-I12 VanDerWaalsContact O-CG1 3.23Å; A8-I12 WeakPolarHBondContact O-CG1 3.38Å; A8-I12 PolarHBondContact O-N 2.96Å; A8-I12 VanDerWaalsContact O-N 3.12Å; K9-I12 PolarHBondContact O-N 2.86Å; I12-F15 PolarHBondContact O-N 2.97Å; I12-L16 HydrophobicContact CG2-CD1 4.03Å; I12-L16 PolarHBondContact O-N 3.27Å
13	F	45.7	Very low	39.9	Very low	146 Å²	146	128.5 Å²	128.5	64%	0.64	61%	0.605	S	S	*	*	H	α-helix	trans	-68.7	-39.5	174.5	-113.7	-87.7	0	0	0	112.1	K9 I10 F15 L16 F17	K9-F13 PolarHBondContact O-N 2.67Å; I10-F13 PolarHBondContact O-N 3.22Å; F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 3.38Å; F13-L16 PolarHBondContact O-N 2.47Å; F13-F17 WeakPolarHBondContact O-CB 2.98Å; F13-F17 PolarHBondContact O-N 2.95Å
14	Y	40.2	Very low	39.5	Very low	153 Å²	153	127.5 Å²	127.5	60%	0.6	60%	0.599	S	S	*	*	H	α-helix	trans	-64.6	-36.1	172.4	-108.4	-86.2	0	0	0	112.3	I10 Y11 F17 I18	I10-Y14 HydrophobicContact CG2-CD2 4.47Å; I10-Y14 PolarHBondContact O-N 2.76Å; Y11-Y14 PolarHBondContact O-N 2.84Å; Y14-F17 PolarHBondContact O-N 3.14Å; Y14-I18 HydrophobicContact CD1-CD1 4.34Å; Y14-I18 WeakPolarHBondContact O-CB 3.32Å; Y14-I18 WeakPolarHBondContact O-CD1 3.47Å; Y14-I18 WeakPolarHBondContact O-CG1 3.3Å; Y14-I18 PolarHBondContact O-N 3.38Å
15	F	41.5	Very low	39.2	Very low	146 Å²	146	126.8 Å²	126.8	64%	0.64	60%	0.598	S	S	*	*	H	α-helix	trans	-70.6	-36.7	177.4	-138.6	-89.7	0	0	0	112.2	Y11 I12 F13 I18 I19	Y11-F15 WeakPolarHBondContact O-CB 3.2Å; Y11-F15 PolarHBondContact O-N 3.31Å; I12-F15 PolarHBondContact O-N 2.97Å; F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 3.38Å; F15-I18 PolarHBondContact O-N 3.12Å; F15-I19 HydrophobicContact CD1-CD1 4.04Å; F15-I19 HydrophobicContact CE1-CD1 4.4Å; F15-I19 VanDerWaalsContact O-CG1 3.32Å; F15-I19 WeakPolarHBondContact O-CG1 3.29Å; F15-I19 PolarHBondContact O-N 2.93Å
16	L	43.2	Very low	38.6	Very low	100 Å²	100	122.5 Å²	122.5	52%	0.524	59%	0.587	S	S	.	*	H	α-helix	trans	-71.2	-34.1	173	-90.8	149.4	0	0	0	112.3	I12 F13 I19 N20	I12-L16 HydrophobicContact CG2-CD1 4.03Å; I12-L16 PolarHBondContact O-N 3.27Å; F13-L16 PolarHBondContact O-N 2.47Å; L16-I19 PolarHBondContact O-N 3.04Å; L16-N20 PolarHBondContact O-N 2.76Å; L16-N20 VanDerWaalsContact O-N 3.09Å
17	F	38	Very low	38.2	Very low	141 Å²	141	121.4 Å²	121.4	62%	0.618	59%	0.59	S	S	*	*	H	α-helix	trans	-71.1	-35.4	172.8	-116.2	-87.8	0	0	0	112.4	F13 Y14 I19 N20 S21	F13-F17 WeakPolarHBondContact O-CB 2.98Å; F13-F17 PolarHBondContact O-N 2.95Å; Y14-F17 PolarHBondContact O-N 3.14Å; F17-I19 VanDerWaalsContact C-N 3.32Å; F17-I19 PolarHBondContact O-N 3.49Å; F17-N20 CarbonylContact O-C 3.5Å; F17-N20 PolarHBondContact O-N 2.76Å; F17-N20 VanDerWaalsContact O-N 3.17Å; F17-S21 WeakPolarHBondContact O-CB 3.45Å; F17-S21 PolarHBondContact O-N 3.06Å; F17-S21 PolarHBondContact O-OG 3.46Å
18	I	38.5	Very low	37.7	Very low	88 Å²	88	125.6 Å²	125.6	45%	0.451	60%	0.603	S	S	.	*	H	α-helix	trans	-69.3	-31.8	174.7	-68.7	165.1	0	0	0	111.3	Y14 F15 N20 S21 V22	Y14-I18 HydrophobicContact CD1-CD1 4.34Å; Y14-I18 WeakPolarHBondContact O-CB 3.32Å; Y14-I18 WeakPolarHBondContact O-CD1 3.47Å; Y14-I18 WeakPolarHBondContact O-CG1 3.3Å; Y14-I18 PolarHBondContact O-N 3.38Å; F15-I18 PolarHBondContact O-N 3.12Å; I18-N20 VanDerWaalsContact C-N 3.33Å; I18-S21 WeakPolarHBondContact CA-OG 3.13Å; I18-S21 PolarHBondContact O-N 3.38Å; I18-S21 PolarHBondContact O-OG 3.4Å; I18-V22 WeakPolarHBondContact O-CG2 3.26Å; I18-V22 PolarHBondContact O-N 2.99Å
19	I	38.3	Very low	37.2	Very low	92 Å²	92	125.8 Å²	125.8	47%	0.472	61%	0.61	S	S	.	*	H	α-helix	trans	-69.7	-33.1	171.8	-68.3	167.6	0	0	0	110.9	F15 L16 F17	F15-I19 HydrophobicContact CD1-CD1 4.04Å; F15-I19 HydrophobicContact CE1-CD1 4.4Å; F15-I19 VanDerWaalsContact O-CG1 3.32Å; F15-I19 WeakPolarHBondContact O-CG1 3.29Å; F15-I19 PolarHBondContact O-N 2.93Å; L16-I19 PolarHBondContact O-N 3.04Å; F17-I19 VanDerWaalsContact C-N 3.32Å; F17-I19 PolarHBondContact O-N 3.49Å
20	N	35.8	Very low	37.1	Very low	112 Å²	112	122 Å²	122	60%	0.599	60%	0.604	S	S	*	*	H	α-helix	trans	-83.4	-16.4	173.9	-85	-20.8	0	0	0	114.6	L16 F17 I18 V22	L16-N20 PolarHBondContact O-N 2.76Å; L16-N20 VanDerWaalsContact O-N 3.09Å; F17-N20 CarbonylContact O-C 3.5Å; F17-N20 PolarHBondContact O-N 2.76Å; F17-N20 VanDerWaalsContact O-N 3.17Å; I18-N20 VanDerWaalsContact C-N 3.33Å; N20-V22 VanDerWaalsContact C-N 3.34Å
21	S	34	Very low	36.8	Very low	82 Å²	82	120 Å²	120	57%	0.573	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-1.9	173.7	73.5	0	0	0	0	113.4	F17 I18	F17-S21 WeakPolarHBondContact O-CB 3.45Å; F17-S21 PolarHBondContact O-N 3.06Å; F17-S21 PolarHBondContact O-OG 3.46Å; I18-S21 WeakPolarHBondContact CA-OG 3.13Å; I18-S21 PolarHBondContact O-N 3.38Å; I18-S21 PolarHBondContact O-OG 3.4Å
22	V	31.6	Very low	36.7	Very low	97 Å²	97	119.7 Å²	119.7	59%	0.588	60%	0.601	S	S	*	*	S	Bend	trans	-107.7	-5.9	172.4	-177.7	0	0	0	0	112.4	I18 N20 I24	I18-V22 WeakPolarHBondContact O-CG2 3.26Å; I18-V22 PolarHBondContact O-N 2.99Å; N20-V22 VanDerWaalsContact C-N 3.34Å; V22-I24 PolarHBondContact O-N 2.67Å
23	F	28.6	Very low	36.2	Very low	141 Å²	141	123.7 Å²	123.7	62%	0.618	62%	0.617	S	S	*	*			trans	-74.6	74.8	150.7	-77.4	-78.1	0	0	0	107.8	Y25	F23-Y25 PolarHBondContact O-N 3.08Å
24	I	29.7	Very low	36	Very low	117 Å²	117	120.5 Å²	120.5	60%	0.6	61%	0.613	S	S	*	*			trans	-25.6	91.4	132.2	-62.8	162.2	0	0	0	106.1	V22 Q26	V22-I24 PolarHBondContact O-N 2.67Å; I24-Q26 HydrophobicContact CG2-CB 3.72Å; I24-Q26 HydrophobicContact CG2-CG 3.47Å; I24-Q26 VanDerWaalsContact CG2-CG 3.47Å; I24-Q26 VanDerWaalsContact CG2-N 3.29Å; I24-Q26 PolarHBondContact O-N 3.12Å
25	Y	27.9	Very low	36.2	Very low	212 Å²	212	120 Å²	120	83%	0.831	63%	0.632	S	S	*	*			trans	-68.4	67.4	150.4	-87.1	-90.4	0	0	0	104.3	F23 V27	F23-Y25 PolarHBondContact O-N 3.08Å; Y25-V27 PolarHBondContact O-N 3.2Å
26	Q	28.4	Very low	36.3	Very low	118 Å²	118	115.2 Å²	115.2	55%	0.551	62%	0.624	S	S	*	*			trans	-52.8	91.5	130.2	-92.4	171.1	-5.5	0	0	101.8	I24 F28	I24-Q26 HydrophobicContact CG2-CB 3.72Å; I24-Q26 HydrophobicContact CG2-CG 3.47Å; I24-Q26 VanDerWaalsContact CG2-CG 3.47Å; I24-Q26 VanDerWaalsContact CG2-N 3.29Å; I24-Q26 PolarHBondContact O-N 3.12Å; Q26-F28 PolarHBondContact O-N 2.72Å
27	V	33.4	Very low	36.7	Very low	116 Å²	116	114.1 Å²	114.1	70%	0.703	62%	0.624	S	S	*	*			trans	-48.8	101.2	153.7	175.7	0	0	0	0	101.6	Y25 G29	Y25-V27 PolarHBondContact O-N 3.2Å; V27-G29 PolarHBondContact O-N 3.32Å
28	F	32.7	Very low	37.5	Very low	185 Å²	185	109.8 Å²	109.8	81%	0.811	61%	0.607	S	S	*	*			trans	-60	85.8	159.7	-81.3	-84.7	0	0	0	101.7	Q26 S30	Q26-F28 PolarHBondContact O-N 2.72Å; F28-S30 PolarHBondContact O-N 3.19Å
29	G	34.1	Very low	38.5	Very low	54 Å²	54	109 Å²	109	56%	0.557	61%	0.61	S	S	*	*			trans	-63.7	83.8	170.2	0	0	0	0	0	103.9	V27 C31	V27-G29 PolarHBondContact O-N 3.32Å; G29-C31 PolarHBondContact O-N 2.97Å
30	S	39.6	Very low	40.1	Very low	83 Å²	83	106.1 Å²	106.1	58%	0.58	60%	0.595	S	S	*	*			trans	-54.2	113	162.1	51.7	0	0	0	0	104.1	F28 F32	F28-S30 PolarHBondContact O-N 3.19Å; S30-F32 WeakPolarHBondContact O-CD2 3.34Å; S30-F32 PolarHBondContact O-N 3.08Å
31	C	40.6	Very low	42	Very low	56 Å²	56	104.1 Å²	104.1	38%	0.378	59%	0.587	S	S	.	*			trans	-67.5	104.3	-168.9	-149.4	0	0	0	0	109.7	G29 C62	G29-C31 PolarHBondContact O-N 2.97Å; C31-C62 HydrophobicContact CB-CB 3.74Å; C31-C62 WeakPolarHBondContact CB-SG 3.32Å; C31-C62 WeakPolarHBondContact SG-CB 3.11Å; C31-C62 CovalentContact SG-SG 2.01Å; C31-C62 PolarHBondContact SG-SG 3.24Å
32	F	40.5	Very low	44.4	Very low	173 Å²	173	101.7 Å²	101.7	76%	0.759	57%	0.565	S	S	*	*			trans	-100.9	124	177.7	-94.8	-85.9	0	0	0	109.3	S30 S34	S30-F32 WeakPolarHBondContact O-CD2 3.34Å; S30-F32 PolarHBondContact O-N 3.08Å; F32-S34 PolarHBondContact O-N 3.14Å
33	Q	39	Very low	47	Very low	185 Å²	185	102.9 Å²	102.9	86%	0.864	56%	0.564	S	S	*	*			trans	-59.1	98.1	167.3	-83.8	-176.9	-36.8	0	0	108.8
34	S	39.6	Very low	49.7	Very low	80 Å²	80	96.3 Å²	96.3	56%	0.559	54%	0.536	S	S	*	.			trans	-102.7	131	153.9	63.6	0	0	0	0	107.2	F32 G36	F32-S34 PolarHBondContact O-N 3.14Å; S34-G36 PolarHBondContact O-N 2.98Å
35	S	44.6	Very low	52.4	Low	142 Å²	142	95.2 Å²	95.2	99%	0.993	53%	0.53	S	S	*	.	S	Bend	trans	-72.8	25.9	-177.9	50.3	0	0	0	0	113.4
36	G	43.6	Very low	55.2	Low	46 Å²	46	85.3 Å²	85.3	47%	0.474	49%	0.491	S	S	.	.	S	Bend	trans	-114.5	166.2	174.7	0	0	0	0	0	110.2	S34 I38	S34-G36 PolarHBondContact O-N 2.98Å; G36-I38 PolarHBondContact O-N 2.87Å; G36-I38 VanDerWaalsContact O-N 3.09Å
37	S	51.7	Low	58	Low	76 Å²	76	84.1 Å²	84.1	53%	0.531	49%	0.486	S	S	.	.			trans	-48.8	119.5	168.3	49	0	0	0	0	109.5	S39	S37-S39 PolarHBondContact O-N 2.49Å
38	I	54.4	Low	60.5	Low	51 Å²	51	79.7 Å²	79.7	26%	0.262	46%	0.46	S	S	.	.			trans	-64.9	103.1	174.5	-64.8	159.6	0	0	0	106.3	G36 I40 L61 F230	G36-I38 PolarHBondContact O-N 2.87Å; G36-I38 VanDerWaalsContact O-N 3.09Å; I38-I40 HydrophobicContact CG2-CG1 4.06Å; I38-L61 HydrophobicContact CG2-CD2 4.13Å; I38-F230 HydrophobicContact CB-CD1 4.38Å; I38-F230 HydrophobicContact CD1-CE1 4.27Å
39	S	60.3	Low	62.9	Low	72 Å²	72	78.1 Å²	78.1	50%	0.503	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	115.9	169.5	57.6	0	0	0	0	108.4	S37 I231	S37-S39 PolarHBondContact O-N 2.49Å; S39-I231 VanDerWaalsContact CA-O 3.29Å; S39-I231 WeakPolarHBondContact CA-O 3.29Å
40	I	72.4	Confident	65.2	Low	30 Å²	30	79.3 Å²	79.3	15%	0.154	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131	169.4	-60.4	179.2	0	0	0	108.1	I38 Y42 D60 L61 E233	I38-I40 HydrophobicContact CG2-CG1 4.06Å; I40-Y42 HydrophobicContact CB-CE2 4.05Å; I40-Y42 HydrophobicContact CG2-CD1 4.48Å; I40-Y42 HydrophobicContact CG2-CD2 4.13Å; I40-Y42 HydrophobicContact CG2-CE1 3.89Å; I40-Y42 HydrophobicContact CG2-CE2 3.49Å; I40-Y42 VanDerWaalsContact CG2-CE2 3.49Å; I40-Y42 WeakPolarHBondContact CG2-OH 3.27Å; I40-D60 VanDerWaalsContact CD1-C 3.42Å; I40-D60 HydrophobicContact CD1-CB 4.04Å; I40-D60 WeakPolarHBondContact CD1-O 3.39Å; I40-L61 HydrophobicContact CD1-CB 4.46Å; I40-L61 HydrophobicContact CD1-CD2 3.36Å; I40-L61 HydrophobicContact CD1-CG 3.77Å; I40-L61 HydrophobicContact CG1-CD2 3.92Å; I40-E233 PolarHBondContact O-N 2.99Å
41	T	75.9	Confident	67.2	Low	70 Å²	70	79.6 Å²	79.6	43%	0.429	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.7	173	46.1	0	0	0	0	110.6	E233	T41-E233 CarbonylContact C-O 3.58Å; T41-E233 WeakPolarHBondContact CA-O 3.33Å; T41-E233 HydrophobicContact CG2-CB 3.82Å; T41-E233 HydrophobicContact CG2-CG 3.89Å; T41-E233 WeakPolarHBondContact CG2-OE2 3.38Å
42	Y	84	Confident	69.3	Low	32 Å²	32	79.9 Å²	79.9	13%	0.125	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	154.2	164.5	-57.1	-80	0	0	0	110.7	I40 I54 S55 D60 I232 E233 L234 K235	I40-Y42 HydrophobicContact CB-CE2 4.05Å; I40-Y42 HydrophobicContact CG2-CD1 4.48Å; I40-Y42 HydrophobicContact CG2-CD2 4.13Å; I40-Y42 HydrophobicContact CG2-CE1 3.89Å; I40-Y42 HydrophobicContact CG2-CE2 3.49Å; I40-Y42 VanDerWaalsContact CG2-CE2 3.49Å; I40-Y42 WeakPolarHBondContact CG2-OH 3.27Å; Y42-I54 HydrophobicContact CD1-CG2 4Å; Y42-I54 HydrophobicContact CD2-CG2 3.87Å; Y42-I54 HydrophobicContact CG-CG2 3.57Å; Y42-S55 WeakPolarHBondContact OH-CB 3.42Å; Y42-S55 PolarHBondContact OH-OG 2.64Å; Y42-D60 WeakPolarHBondContact OH-CB 3.33Å; Y42-D60 PolarHBondContact OH-OD2 2.79Å; Y42-I232 HydrophobicContact CD2-CG2 3.48Å; Y42-I232 VanDerWaalsContact CD2-CG2 3.48Å; Y42-I232 HydrophobicContact CE2-CD1 4.21Å; Y42-I232 HydrophobicContact CE2-CG2 3.73Å; Y42-E233 PolarHBondContact N-O 3.39Å; Y42-L234 HydrophobicContact CD2-CD2 3.91Å; Y42-L234 HydrophobicContact CG-CD2 4.31Å; Y42-L234 CarbonylContact O-C 3.52Å; Y42-L234 WeakPolarHBondContact O-CA 3.33Å; Y42-K235 PolarHBondContact O-N 2.85Å
43	E	85.5	Confident	71.3	Confident	121 Å²	121	76.7 Å²	76.7	57%	0.565	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.4	177	-75.2	168.8	-171.8	0	0	109.1	K235 I237	E43-K235 CarbonylContact C-O 3.6Å; E43-K235 WeakPolarHBondContact CA-O 3.45Å; E43-K235 HydrophobicContact CG-CB 3.89Å; E43-K235 HydrophobicContact CG-CD 3.95Å; E43-K235 IonicContact OE1-NZ 2.69Å; E43-I237 HydrophobicContact CB-CD1 3.94Å; E43-I237 HydrophobicContact CG-CD1 4.25Å
44	I	86.2	Confident	73.4	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.015	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.6	178	-60.9	175.7	0	0	0	105.9	I54 F97 L116 L234 K235 I236 I237	I44-I54 HydrophobicContact CD1-CD1 3.79Å; I44-I54 HydrophobicContact CD1-CG1 4.22Å; I44-F97 HydrophobicContact CD1-CE1 3.88Å; I44-F97 HydrophobicContact CD1-CZ 4.24Å; I44-L116 HydrophobicContact CG2-CD2 4.09Å; I44-L234 HydrophobicContact CD1-CB 4.36Å; I44-L234 HydrophobicContact CD1-CD1 4.13Å; I44-L234 HydrophobicContact CD1-CD2 4.09Å; I44-L234 HydrophobicContact CD1-CG 4.44Å; I44-K235 PolarHBondContact N-O 3.34Å; I44-I236 CarbonylContact O-C 3.57Å; I44-I236 VanDerWaalsContact O-CA 3.25Å; I44-I236 WeakPolarHBondContact O-CA 3.48Å; I44-I237 PolarHBondContact O-N 3.17Å
45	I	86.6	Confident	75.2	Confident	95 Å²	95	65.7 Å²	65.7	49%	0.487	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.4	172.2	-56	173.2	0	0	0	107.3	S48 I239	I45-S48 VanDerWaalsContact O-CB 3.28Å; I45-S48 WeakPolarHBondContact O-CB 3.12Å; I45-S48 PolarHBondContact O-N 3.2Å; I45-S48 PolarHBondContact O-OG 2.87Å; I45-I239 HydrophobicContact CG2-CG2 3.54Å
46	E	86.9	Confident	77	Confident	3 Å²	3	59.7 Å²	59.7	1%	0.014	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	145.1	170	169.5	158.7	-143.4	0	0	112.2	S48 R122 I236 I237 D238 I239	E46-S48 PolarHBondContact O-N 2.86Å; E46-R122 VanDerWaalsContact CD-CB 3.43Å; E46-R122 HydrophobicContact CG-CB 4.44Å; E46-R122 WeakPolarHBondContact OE1-CA 3.25Å; E46-R122 WeakPolarHBondContact OE1-CB 3.31Å; E46-R122 PolarHBondContact OE1-N 3.41Å; E46-R122 WeakPolarHBondContact OE2-CB 3.35Å; E46-R122 IonicContact OE2-NE 3.88Å; E46-I236 HydrophobicContact CB-CG2 4.12Å; E46-I237 WeakPolarHBondContact CB-O 3.32Å; E46-I237 PolarHBondContact N-O 3.48Å; E46-D238 WeakPolarHBondContact OE2-CA 3.47Å; E46-I239 HydrophobicContact CB-CG1 4.18Å; E46-I239 HydrophobicContact CB-CG2 4.28Å; E46-I239 HydrophobicContact CG-CD1 4.16Å; E46-I239 HydrophobicContact CG-CG1 3.86Å
47	E	85.8	Confident	78.6	Confident	94 Å²	94	57.5 Å²	57.5	44%	0.439	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	27	-175.2	-58.1	-156.2	139.7	0	0	115.6	S119 I120 I239	E47-S119 WeakPolarHBondContact CA-OG 3.35Å; E47-I120 PolarHBondContact N-O 2.88Å; E47-I239 HydrophobicContact CB-CD1 3.95Å; E47-I239 HydrophobicContact CG-CD1 4.07Å
48	S	86.4	Confident	79.5	Confident	23 Å²	23	55.1 Å²	55.1	16%	0.161	30%	0.295	C	S	.	.			trans	-53.5	143.5	175.8	-79	0	0	0	0	113.1	I45 E46 I50	I45-S48 VanDerWaalsContact O-CB 3.28Å; I45-S48 WeakPolarHBondContact O-CB 3.12Å; I45-S48 PolarHBondContact O-N 3.2Å; I45-S48 PolarHBondContact O-OG 2.87Å; E46-S48 PolarHBondContact O-N 2.86Å; S48-I50 WeakPolarHBondContact O-CG1 3.22Å
49	N	82.9	Confident	80.2	Confident	152 Å²	152	58.7 Å²	58.7	81%	0.813	31%	0.309	S	S	*	.			trans	-62.8	138.3	172.6	-70.3	-44.2	0	0	0	111.9
50	I	82.1	Confident	80.7	Confident	78 Å²	78	58.1 Å²	58.1	40%	0.4	30%	0.3	S	S	.	.	S	Bend	trans	-119.8	144.2	-167.3	-23.8	147.8	0	0	0	109.8	S48 L116 N117	S48-I50 WeakPolarHBondContact O-CG1 3.22Å; I50-L116 WeakPolarHBondContact CG2-O 3.41Å; I50-N117 VanDerWaalsContact CG2-CA 3.43Å; I50-N117 WeakPolarHBondContact CG2-O 3.32Å
51	P	82.2	Confident	80.4	Confident	90 Å²	90	56.8 Å²	56.8	58%	0.584	29%	0.293	S	S	*	.	S	Bend	cis	-78.2	134.6	-0.6	31.1	-33.4	0	0	0	113.8	I115 L116	P51-I115 HydrophobicContact CB-CG2 3.78Å; P51-L116 VanDerWaalsContact CA-O 3.31Å; P51-L116 WeakPolarHBondContact CA-O 3.39Å
52	L	84.1	Confident	79.8	Confident	61 Å²	61	54.5 Å²	54.5	32%	0.319	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124	177.6	176.4	70	0	0	0	110.2	I54 I115 L116	L52-I54 PolarHBondContact O-N 3.04Å; L52-I115 CarbonylContact O-C 3.57Å; L52-I115 VanDerWaalsContact O-CA 3.31Å; L52-I115 WeakPolarHBondContact O-CA 3.42Å; L52-L116 HydrophobicContact CB-CB 4.11Å; L52-L116 PolarHBondContact N-O 3.2Å; L52-L116 PolarHBondContact O-N 3.22Å
53	I	83.2	Confident	78.6	Confident	106 Å²	106	54.5 Å²	54.5	54%	0.544	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.8	172.9	-58.3	173.1	0	0	0	107.9	Y113 I115	I53-Y113 HydrophobicContact CG2-CD1 3.72Å; I53-Y113 HydrophobicContact CG2-CG 4.37Å; I53-I115 HydrophobicContact CG1-CD1 4.35Å; I53-I115 HydrophobicContact CG1-CG1 4.21Å
54	I	81.9	Confident	77	Confident	28 Å²	28	53.5 Å²	53.5	14%	0.144	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-50.7	-177.5	-61.3	163	0	0	0	110	Y42 I44 L52 F97 L114 L116 L234	Y42-I54 HydrophobicContact CD1-CG2 4Å; Y42-I54 HydrophobicContact CD2-CG2 3.87Å; Y42-I54 HydrophobicContact CG-CG2 3.57Å; I44-I54 HydrophobicContact CD1-CD1 3.79Å; I44-I54 HydrophobicContact CD1-CG1 4.22Å; L52-I54 PolarHBondContact O-N 3.04Å; I54-F97 HydrophobicContact CD1-CD1 3.53Å; I54-F97 HydrophobicContact CD1-CE1 3.44Å; I54-F97 VanDerWaalsContact CD1-CE1 3.44Å; I54-L114 HydrophobicContact CB-CD2 4.44Å; I54-L114 WeakPolarHBondContact CB-O 3.47Å; I54-L114 HydrophobicContact CD1-CD2 4.04Å; I54-L114 HydrophobicContact CD1-CG 4.1Å; I54-L114 HydrophobicContact CG2-CD2 4.42Å; I54-L114 PolarHBondContact N-O 2.93Å; I54-L116 HydrophobicContact CD1-CB 4.1Å; I54-L116 HydrophobicContact CG1-CB 4.44Å; I54-L234 HydrophobicContact CG2-CD2 4.28Å
55	S	78.8	Confident	75.1	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	158.6	-171	68.7	0	0	0	0	113.4	Y42 D60 Y113 L114	Y42-S55 WeakPolarHBondContact OH-CB 3.42Å; Y42-S55 PolarHBondContact OH-OG 2.64Å; S55-D60 VanDerWaalsContact CB-OD2 3.28Å; S55-D60 WeakPolarHBondContact CB-OD2 3.44Å; S55-Y113 VanDerWaalsContact O-CA 3.29Å; S55-Y113 WeakPolarHBondContact O-CA 3.44Å; S55-L114 PolarHBondContact O-N 2.82Å
56	N	82.2	Confident	72.9	Confident	16 Å²	16	61.5 Å²	61.5	9%	0.086	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	98.3	167.8	-176.2	-29.4	0	0	0	107.7	K58 K59 D60 E111 Y113	N56-K58 VanDerWaalsContact C-N 3.25Å; N56-K58 PolarHBondContact O-N 3.38Å; N56-K58 VanDerWaalsContact O-N 3.13Å; N56-K58 PolarHBondContact OD1-N 3.48Å; N56-K59 HydrophobicContact CB-CB 4.09Å; N56-K59 PolarHBondContact O-N 3.39Å; N56-K59 VanDerWaalsContact O-N 3.11Å; N56-D60 PolarHBondContact N-OD2 2.99Å; N56-D60 WeakPolarHBondContact O-CB 3.41Å; N56-D60 VanDerWaalsContact O-CG 3.3Å; N56-D60 PolarHBondContact O-N 3.35Å; N56-E111 VanDerWaalsContact ND2-CD 3.32Å; N56-E111 PolarHBondContact ND2-OE2 2.9Å; N56-Y113 HydrophobicContact CB-CD1 4.05Å; N56-Y113 HydrophobicContact CB-CE1 3.77Å; N56-Y113 PolarHBondContact ND2-OH 3.02Å
57	L	76.3	Confident	70.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-56.2	-37.4	-168.6	-66.4	175.7	0	0	0	113.1	L61 F84 I99 Q112 L114 L181 I232	L57-L61 HydrophobicContact CB-CD1 4.27Å; L57-L61 HydrophobicContact CD2-CD1 4.1Å; L57-L61 WeakPolarHBondContact O-CB 2.93Å; L57-L61 WeakPolarHBondContact O-CD1 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.36Å; L57-L61 PolarHBondContact O-N 2.82Å; L57-F84 HydrophobicContact CB-CD2 3.57Å; L57-F84 HydrophobicContact CB-CE2 3.5Å; L57-F84 HydrophobicContact CB-CG 4.29Å; L57-F84 HydrophobicContact CB-CZ 4.16Å; L57-F84 HydrophobicContact CD1-CB 3.77Å; L57-F84 HydrophobicContact CD1-CD2 3.89Å; L57-F84 HydrophobicContact CD1-CG 3.9Å; L57-F84 HydrophobicContact CG-CD2 4.37Å; L57-I99 HydrophobicContact CD1-CD1 3.85Å; L57-I99 HydrophobicContact CD1-CG1 4.02Å; L57-I99 HydrophobicContact CD1-CG2 4.1Å; L57-Q112 HydrophobicContact CB-CB 4.48Å; L57-Q112 WeakPolarHBondContact CB-O 3.28Å; L57-Q112 HydrophobicContact CD1-CB 4.42Å; L57-Q112 PolarHBondContact N-O 3.48Å; L57-L114 HydrophobicContact CD1-CB 4.33Å; L57-L114 HydrophobicContact CD2-CB 3.99Å; L57-L114 HydrophobicContact CG-CB 4.14Å; L57-L181 HydrophobicContact CD1-CD1 4.04Å; L57-L181 HydrophobicContact CD2-CD1 3.54Å; L57-L181 HydrophobicContact CG-CD1 4.42Å; L57-I232 HydrophobicContact CD2-CD1 3.69Å
58	K	71.1	Confident	68.3	Low	27 Å²	27	66.3 Å²	66.3	12%	0.117	35%	0.347	C	S	.	.	H	α-helix	trans	-70.5	-43.5	-179.7	-78.7	-169.2	176.3	-178.3	0	112.6	N56 C62 I63 F84 N110	N56-K58 VanDerWaalsContact C-N 3.25Å; N56-K58 PolarHBondContact O-N 3.38Å; N56-K58 VanDerWaalsContact O-N 3.13Å; N56-K58 PolarHBondContact OD1-N 3.48Å; K58-C62 PolarHBondContact O-N 2.95Å; K58-I63 PolarHBondContact O-N 2.8Å; K58-F84 HydrophobicContact CG-CE2 4.27Å; K58-N110 VanDerWaalsContact CD-O 3.31Å; K58-N110 WeakPolarHBondContact CD-O 3.24Å; K58-N110 WeakPolarHBondContact CE-O 3.34Å; K58-N110 PolarHBondContact NZ-O 2.78Å
59	K	69.7	Low	66	Low	125 Å²	125	73.3 Å²	73.3	54%	0.543	38%	0.377	S	S	.	.	H	α-helix	trans	-70	-46.1	-179	-170.8	179.4	179.2	-175.9	0	110.9	N56 C62	N56-K59 HydrophobicContact CB-CB 4.09Å; N56-K59 PolarHBondContact O-N 3.39Å; N56-K59 VanDerWaalsContact O-N 3.11Å; K59-C62 PolarHBondContact O-N 3.04Å
60	D	69.6	Low	63.7	Low	61 Å²	61	73 Å²	73	33%	0.326	38%	0.375	S	S	.	.	H	α-helix	trans	-78.4	-36.2	-172	-60.2	-25.2	0	0	0	111.6	I40 Y42 S55 N56 C62	I40-D60 VanDerWaalsContact CD1-C 3.42Å; I40-D60 HydrophobicContact CD1-CB 4.04Å; I40-D60 WeakPolarHBondContact CD1-O 3.39Å; Y42-D60 WeakPolarHBondContact OH-CB 3.33Å; Y42-D60 PolarHBondContact OH-OD2 2.79Å; S55-D60 VanDerWaalsContact CB-OD2 3.28Å; S55-D60 WeakPolarHBondContact CB-OD2 3.44Å; N56-D60 PolarHBondContact N-OD2 2.99Å; N56-D60 WeakPolarHBondContact O-CB 3.41Å; N56-D60 VanDerWaalsContact O-CG 3.3Å; N56-D60 PolarHBondContact O-N 3.35Å; D60-C62 PolarHBondContact O-N 2.99Å
61	L	67.6	Low	61.3	Low	1 Å²	1	77.9 Å²	77.9	1%	0.005	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	9.5	172.8	-59.9	159.8	0	0	0	112.9	I38 I40 L57 I63 F84 L181 F230	I38-L61 HydrophobicContact CG2-CD2 4.13Å; I40-L61 HydrophobicContact CD1-CB 4.46Å; I40-L61 HydrophobicContact CD1-CD2 3.36Å; I40-L61 HydrophobicContact CD1-CG 3.77Å; I40-L61 HydrophobicContact CG1-CD2 3.92Å; L57-L61 HydrophobicContact CB-CD1 4.27Å; L57-L61 HydrophobicContact CD2-CD1 4.1Å; L57-L61 WeakPolarHBondContact O-CB 2.93Å; L57-L61 WeakPolarHBondContact O-CD1 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.36Å; L57-L61 PolarHBondContact O-N 2.82Å; L61-I63 VanDerWaalsContact C-N 3.27Å; L61-I63 HydrophobicContact CB-CG1 4.44Å; L61-I63 PolarHBondContact O-N 3.18Å; L61-I63 VanDerWaalsContact O-N 3.17Å; L61-F84 HydrophobicContact CB-CZ 4.25Å; L61-F84 HydrophobicContact CD1-CD1 4.45Å; L61-F84 HydrophobicContact CD1-CE1 3.47Å; L61-F84 VanDerWaalsContact CD1-CE1 3.47Å; L61-F84 HydrophobicContact CD1-CE2 4.17Å; L61-F84 HydrophobicContact CD1-CZ 3.26Å; L61-F84 HydrophobicContact CG-CZ 4.35Å; L61-L181 HydrophobicContact CD1-CD1 4.42Å; L61-F230 HydrophobicContact CB-CD1 4.38Å; L61-F230 HydrophobicContact CB-CE1 4.22Å; L61-F230 HydrophobicContact CD1-CB 4.41Å; L61-F230 HydrophobicContact CD1-CD1 4.29Å; L61-F230 HydrophobicContact CD1-CG 4.21Å; L61-F230 HydrophobicContact CD2-CB 4.21Å; L61-F230 HydrophobicContact CD2-CD1 3.63Å; L61-F230 HydrophobicContact CD2-CE1 4.27Å; L61-F230 HydrophobicContact CD2-CG 4.15Å; L61-F230 HydrophobicContact CG-CD1 4.33Å
62	C	62.4	Low	58.9	Low	22 Å²	22	80.3 Å²	80.3	15%	0.149	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	38.5	179	-43.4	0	0	0	0	115.7	C31 K58 K59 D60 D64 Q65	C31-C62 HydrophobicContact CB-CB 3.74Å; C31-C62 WeakPolarHBondContact CB-SG 3.32Å; C31-C62 WeakPolarHBondContact SG-CB 3.11Å; C31-C62 CovalentContact SG-SG 2.01Å; C31-C62 PolarHBondContact SG-SG 3.24Å; K58-C62 PolarHBondContact O-N 2.95Å; K59-C62 PolarHBondContact O-N 3.04Å; D60-C62 PolarHBondContact O-N 2.99Å; C62-D64 PolarHBondContact O-N 3.04Å; C62-Q65 PolarHBondContact O-N 3.41Å
63	I	59.4	Low	56.3	Low	33 Å²	33	82.8 Å²	82.8	17%	0.169	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-68.1	-27.8	179.1	-67.1	-177.5	0	0	0	110.8	K58 L61 Q65 Y66 F84 L183 F230	K58-I63 PolarHBondContact O-N 2.8Å; L61-I63 VanDerWaalsContact C-N 3.27Å; L61-I63 HydrophobicContact CB-CG1 4.44Å; L61-I63 PolarHBondContact O-N 3.18Å; L61-I63 VanDerWaalsContact O-N 3.17Å; I63-Q65 PolarHBondContact O-N 3.09Å; I63-Q65 VanDerWaalsContact O-N 3.1Å; I63-Y66 PolarHBondContact O-N 2.86Å; I63-F84 HydrophobicContact CD1-CE1 3.96Å; I63-F84 HydrophobicContact CD1-CE2 3.51Å; I63-F84 HydrophobicContact CD1-CZ 3.08Å; I63-F84 HydrophobicContact CG1-CZ 4.22Å; I63-L183 HydrophobicContact CD1-CD1 3.68Å; I63-L183 HydrophobicContact CD1-CD2 3.58Å; I63-L183 HydrophobicContact CD1-CG 4.2Å; I63-F230 HydrophobicContact CD1-CZ 4.25Å
64	D	52	Low	53.8	Low	99 Å²	99	86.8 Å²	86.8	53%	0.529	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-65.5	-15.3	-178.3	-60.1	-18.7	0	0	0	113.5	C62	C62-D64 PolarHBondContact O-N 3.04Å
65	Q	46.8	Very low	51.4	Low	152 Å²	152	93.5 Å²	93.5	71%	0.71	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-96.4	-4.9	173.8	-71.5	-163.6	-12	0	0	114.7	C62 I63 S67	C62-Q65 PolarHBondContact O-N 3.41Å; I63-Q65 PolarHBondContact O-N 3.09Å; I63-Q65 VanDerWaalsContact O-N 3.1Å; Q65-S67 PolarHBondContact O-N 2.84Å
66	Y	39.3	Very low	49.1	Very low	115 Å²	115	102.3 Å²	102.3	45%	0.451	51%	0.51	S	S	.	.			trans	-79.3	77.4	165.3	-76.5	-85.2	0	0	0	108.9	I63 I68	I63-Y66 PolarHBondContact O-N 2.86Å; Y66-I68 VanDerWaalsContact C-N 3.27Å; Y66-I68 PolarHBondContact O-N 2.77Å
67	S	39.4	Very low	46.8	Very low	94 Å²	94	107.1 Å²	107.1	66%	0.657	54%	0.543	S	S	*	.			trans	-60.4	96.7	153.3	52.7	0	0	0	0	106.8	Q65 E69	Q65-S67 PolarHBondContact O-N 2.84Å; S67-E69 PolarHBondContact O-N 2.83Å
68	I	37.2	Very low	45	Very low	103 Å²	103	113 Å²	113	53%	0.528	57%	0.574	S	S	.	*			trans	-69.7	62.1	176.3	-54.5	164.9	0	0	0	108.4	Y66	Y66-I68 VanDerWaalsContact C-N 3.27Å; Y66-I68 PolarHBondContact O-N 2.77Å
69	E	37.4	Very low	43.5	Very low	171 Å²	171	119 Å²	119	80%	0.799	61%	0.606	S	S	*	*			trans	-94.3	-10.6	175.1	-74.9	-164.2	156.6	0	0	112.5	S67	S67-E69 PolarHBondContact O-N 2.83Å
70	N	35.6	Very low	42.4	Very low	145 Å²	145	117.3 Å²	117.3	78%	0.775	60%	0.603	S	S	*	*	S	Bend	trans	-112.8	12.9	-171.3	-82.9	-12.8	0	0	0	117.3
71	F	30.5	Very low	41.7	Very low	180 Å²	180	118.5 Å²	118.5	79%	0.789	61%	0.607	S	S	*	*	S	Bend	trans	-134	103.7	168.1	-76	-82.5	0	0	0	112.3
72	I	32.3	Very low	41.5	Very low	141 Å²	141	120.3 Å²	120.3	72%	0.723	62%	0.615	S	S	*	*			trans	80.7	91.3	153.5	-49	167.4	0	0	0	115.1	F74	I72-F74 HydrophobicContact CG2-CD2 4.09Å; I72-F74 PolarHBondContact O-N 3.07Å
73	S	29.7	Very low	41.8	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	62%	0.623	S	S	*	*			trans	-54.2	94.1	159.3	55.3	0	0	0	0	112.2
74	F	31.2	Very low	42.6	Very low	190 Å²	190	121.1 Å²	121.1	83%	0.833	62%	0.616	S	S	*	*			trans	-131.5	113.1	149.3	-92.3	-78.2	0	0	0	108.7	I72 K76	I72-F74 HydrophobicContact CG2-CD2 4.09Å; I72-F74 PolarHBondContact O-N 3.07Å; F74-K76 PolarHBondContact O-N 2.82Å
75	N	30.2	Very low	43.6	Very low	170 Å²	170	118.9 Å²	118.9	91%	0.909	60%	0.603	S	S	*	*			trans	-52	92.6	178.1	-73.5	-32.3	0	0	0	112.6
76	K	30.7	Very low	44.9	Very low	190 Å²	190	112.9 Å²	112.9	83%	0.826	58%	0.575	S	S	*	*			trans	-146.4	123.7	150.4	-97.2	-175.1	-177.4	175	0	109.8	F74 N78	F74-K76 PolarHBondContact O-N 2.82Å; K76-N78 PolarHBondContact O-N 3.09Å; K76-N78 VanDerWaalsContact O-N 3.08Å
77	P	33.8	Very low	46.5	Very low	118 Å²	118	110.1 Å²	110.1	77%	0.766	57%	0.566	S	S	*	*			trans	-83.3	87.8	179.3	34.1	-29.7	0	0	0	108.5
78	N	38.3	Very low	47.7	Very low	122 Å²	122	109.9 Å²	109.9	65%	0.652	56%	0.562	S	S	*	*			trans	-145.2	78.8	155.7	-92.1	-24.7	0	0	0	105.4	K76 N80	K76-N78 PolarHBondContact O-N 3.09Å; K76-N78 VanDerWaalsContact O-N 3.08Å; N78-N80 PolarHBondContact O-N 2.85Å
79	I	40.9	Very low	49.1	Very low	153 Å²	153	109 Å²	109	79%	0.785	56%	0.562	S	S	*	*			trans	-59.3	97.6	-179.9	-66.5	164.9	0	0	0	107.9	Q81	I79-Q81 PolarHBondContact O-N 2.86Å
80	N	45.3	Very low	50.5	Low	91 Å²	91	100.9 Å²	100.9	49%	0.487	52%	0.524	S	S	.	.				41.7	50.2	127.2	-62.7	-5.7	0	0	0	116.7	N78 H82	N78-N80 PolarHBondContact O-N 2.85Å; N80-H82 PolarHBondContact O-N 2.91Å; N80-H82 PolarHBondContact O-ND1 2.81Å; N80-H82 VanDerWaalsContact O-ND1 3.07Å
81	Q	54.8	Low	51.9	Low	86 Å²	86	99.9 Å²	99.9	40%	0.402	52%	0.515	S	S	.	.			trans	-65.5	128.3	157.5	-70	-171.9	-16.8	0	0	106.8	I79 L186	I79-Q81 PolarHBondContact O-N 2.86Å; Q81-L186 HydrophobicContact CB-CB 3.79Å; Q81-L186 HydrophobicContact CB-CD1 4.37Å; Q81-L186 WeakPolarHBondContact O-CA 3.43Å; Q81-L186 WeakPolarHBondContact O-CB 3.27Å; Q81-L186 PolarHBondContact O-N 3.13Å
82	H	63.7	Low	53.5	Low	39 Å²	39	93.7 Å²	93.7	18%	0.181	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.1	173.5	-70.4	70.6	0	0	0	109.1	N80 L183 I184	N80-H82 PolarHBondContact O-N 2.91Å; N80-H82 PolarHBondContact O-ND1 2.81Å; N80-H82 VanDerWaalsContact O-ND1 3.07Å; H82-L183 HydrophobicContact CB-CD1 3.65Å; H82-L183 HydrophobicContact CB-CD2 4.14Å; H82-L183 HydrophobicContact CB-CG 3.76Å; H82-I184 CarbonylContact C-O 3.52Å; H82-I184 WeakPolarHBondContact CA-O 3.13Å; H82-I184 WeakPolarHBondContact CB-O 3.41Å
83	E	69.7	Low	55.4	Low	68 Å²	68	88.2 Å²	88.2	32%	0.318	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.6	174	53.1	175.6	-161.5	0	0	111.7	I85 L183 I184 L186	E83-I85 HydrophobicContact CB-CD1 4.32Å; E83-I85 HydrophobicContact CG-CD1 3.64Å; E83-L183 WeakPolarHBondContact O-CA 3.45Å; E83-I184 HydrophobicContact CG-CB 4.36Å; E83-I184 PolarHBondContact N-O 2.84Å; E83-I184 PolarHBondContact O-N 2.69Å; E83-L186 HydrophobicContact CB-CD1 3.62Å; E83-L186 HydrophobicContact CG-CD1 3.65Å; E83-L186 HydrophobicContact CG-CG 4.22Å
84	F	76.4	Confident	57.4	Low	4 Å²	4	87.3 Å²	87.3	2%	0.018	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.9	167	-71	-77.4	0	0	0	110.8	L57 K58 L61 I63 I99 Q112 L181 A182 L183 F230	L57-F84 HydrophobicContact CB-CD2 3.57Å; L57-F84 HydrophobicContact CB-CE2 3.5Å; L57-F84 HydrophobicContact CB-CG 4.29Å; L57-F84 HydrophobicContact CB-CZ 4.16Å; L57-F84 HydrophobicContact CD1-CB 3.77Å; L57-F84 HydrophobicContact CD1-CD2 3.89Å; L57-F84 HydrophobicContact CD1-CG 3.9Å; L57-F84 HydrophobicContact CG-CD2 4.37Å; K58-F84 HydrophobicContact CG-CE2 4.27Å; L61-F84 HydrophobicContact CB-CZ 4.25Å; L61-F84 HydrophobicContact CD1-CD1 4.45Å; L61-F84 HydrophobicContact CD1-CE1 3.47Å; L61-F84 VanDerWaalsContact CD1-CE1 3.47Å; L61-F84 HydrophobicContact CD1-CE2 4.17Å; L61-F84 HydrophobicContact CD1-CZ 3.26Å; L61-F84 HydrophobicContact CG-CZ 4.35Å; I63-F84 HydrophobicContact CD1-CE1 3.96Å; I63-F84 HydrophobicContact CD1-CE2 3.51Å; I63-F84 HydrophobicContact CD1-CZ 3.08Å; I63-F84 HydrophobicContact CG1-CZ 4.22Å; F84-I99 HydrophobicContact CB-CD1 3.76Å; F84-I99 WeakPolarHBondContact O-CD1 3.26Å; F84-Q112 HydrophobicContact CD2-CB 4.47Å; F84-Q112 VanDerWaalsContact CD2-OE1 3.25Å; F84-L181 HydrophobicContact CD1-CB 4.27Å; F84-L181 HydrophobicContact CD1-CD1 4.28Å; F84-A182 WeakPolarHBondContact CA-O 3.1Å; F84-L183 HydrophobicContact CD1-CB 4.16Å; F84-L183 HydrophobicContact CD1-CD1 3.94Å; F84-L183 HydrophobicContact CD2-CD1 3.98Å; F84-L183 HydrophobicContact CE1-CB 4.1Å; F84-L183 HydrophobicContact CE1-CD1 3.91Å; F84-L183 HydrophobicContact CE2-CD1 3.93Å; F84-L183 HydrophobicContact CG-CD1 4.01Å; F84-L183 HydrophobicContact CZ-CD1 3.94Å; F84-F230 HydrophobicContact CD1-CD2 4.42Å; F84-F230 AromaticContact CE1-CD2 3.61Å; F84-F230 HydrophobicContact CE1-CD2 3.61Å; F84-F230 AromaticContact CE1-CE2 3.71Å; F84-F230 HydrophobicContact CE1-CE2 3.71Å; F84-F230 HydrophobicContact CE1-CG 4.3Å; F84-F230 HydrophobicContact CE1-CZ 4.46Å; F84-F230 HydrophobicContact CZ-CE2 4.36Å
85	I	73.6	Confident	59.5	Low	52 Å²	52	84.1 Å²	84.1	27%	0.267	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.2	164.7	-64.5	79.4	0	0	0	108.5	E83 L181 A182 I184 W220	E83-I85 HydrophobicContact CB-CD1 4.32Å; E83-I85 HydrophobicContact CG-CD1 3.64Å; I85-L181 WeakPolarHBondContact O-CA 3.39Å; I85-A182 PolarHBondContact N-O 2.79Å; I85-A182 PolarHBondContact O-N 2.74Å; I85-I184 HydrophobicContact CD1-CB 4.33Å; I85-I184 HydrophobicContact CD1-CG1 3.74Å; I85-W220 HydrophobicContact CB-CH2 3.6Å; I85-W220 HydrophobicContact CB-CZ2 3.92Å; I85-W220 HydrophobicContact CD1-CH2 3.63Å; I85-W220 HydrophobicContact CD1-CZ2 3.45Å; I85-W220 VanDerWaalsContact CD1-CZ2 3.45Å; I85-W220 HydrophobicContact CG1-CH2 3.82Å; I85-W220 HydrophobicContact CG1-CZ2 3.64Å; I85-W220 HydrophobicContact CG2-CH2 4.13Å; I85-W220 HydrophobicContact CG2-CZ2 4.3Å
86	I	73.6	Confident	62.1	Low	25 Å²	25	78.1 Å²	78.1	13%	0.128	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.4	171.6	-53.5	176.2	0	0	0	109	F97 I99 L114 L179 L181	I86-F97 HydrophobicContact CD1-CB 3.59Å; I86-F97 WeakPolarHBondContact CD1-O 3.47Å; I86-I99 HydrophobicContact CD1-CD1 4.48Å; I86-I99 HydrophobicContact CD1-CG1 4.2Å; I86-I99 HydrophobicContact CG1-CD1 3.68Å; I86-I99 HydrophobicContact CG1-CG1 3.94Å; I86-L114 HydrophobicContact CD1-CD1 4.06Å; I86-L179 HydrophobicContact CD1-CD2 4.19Å; I86-L179 HydrophobicContact CG1-CD2 4.15Å; I86-L179 HydrophobicContact CG2-CD1 4.02Å; I86-L179 HydrophobicContact CG2-CD2 4.08Å; I86-L179 HydrophobicContact CG2-CG 3.96Å; I86-L181 HydrophobicContact CB-CD2 4.21Å; I86-L181 HydrophobicContact CG1-CD2 3.66Å
87	F	71.9	Confident	64.7	Low	57 Å²	57	69.4 Å²	69.4	25%	0.25	36%	0.355	C	S	.	.			trans	-75.3	139.2	-175	-150.6	-110.4	0	0	0	111	T89 S90 H180 A182 W220 F229	F87-T89 HydrophobicContact CD1-CG2 3.68Å; F87-T89 WeakPolarHBondContact CD1-OG1 2.97Å; F87-T89 HydrophobicContact CE1-CG2 3.83Å; F87-T89 PolarHBondContact O-N 2.81Å; F87-T89 VanDerWaalsContact O-N 3.08Å; F87-S90 WeakPolarHBondContact O-CB 3.45Å; F87-S90 PolarHBondContact O-N 3.06Å; F87-S90 PolarHBondContact O-OG 3.26Å; F87-H180 HydrophobicContact CB-CB 3.94Å; F87-H180 WeakPolarHBondContact CB-O 3.32Å; F87-H180 PolarHBondContact N-O 2.97Å; F87-A182 HydrophobicContact CD2-CB 4Å; F87-W220 HydrophobicContact CD2-CZ3 4.43Å; F87-W220 HydrophobicContact CE2-CE3 4.47Å; F87-W220 HydrophobicContact CE2-CZ3 4.38Å; F87-F229 HydrophobicContact CD2-CE1 4.05Å; F87-F229 HydrophobicContact CE1-CE1 4.48Å; F87-F229 AromaticContact CE2-CE1 3.88Å; F87-F229 HydrophobicContact CE2-CE1 3.88Å; F87-F229 HydrophobicContact CE2-CZ 4.5Å; F87-F229 HydrophobicContact CG-CE1 4.43Å; F87-F229 HydrophobicContact CZ-CE1 4.11Å
88	P	65.1	Low	67	Low	90 Å²	90	67 Å²	67	58%	0.584	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-59.9	-20.7	-176.6	-25	33.6	0	0	0	115.3	S90 Q91	P88-S90 PolarHBondContact O-N 3.01Å; P88-Q91 WeakPolarHBondContact O-CG 3.19Å; P88-Q91 PolarHBondContact O-N 3.19Å; P88-Q91 VanDerWaalsContact O-N 3.12Å
89	T	66.8	Low	69	Low	84 Å²	84	62.8 Å²	62.8	52%	0.515	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-63.7	-16.6	174.3	59.5	0	0	0	0	112.7	F87 Q91 H180	F87-T89 HydrophobicContact CD1-CG2 3.68Å; F87-T89 WeakPolarHBondContact CD1-OG1 2.97Å; F87-T89 HydrophobicContact CE1-CG2 3.83Å; F87-T89 PolarHBondContact O-N 2.81Å; F87-T89 VanDerWaalsContact O-N 3.08Å; T89-Q91 PolarHBondContact O-N 3.45Å; T89-Q91 VanDerWaalsContact O-N 3.1Å; T89-H180 PolarHBondContact OG1-CD2 2.8Å
90	S	66.8	Low	70.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.007	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-76.7	21.2	171.1	-38.2	0	0	0	0	112.3	F87 P88 P92 Y93 Y94 H180	F87-S90 WeakPolarHBondContact O-CB 3.45Å; F87-S90 PolarHBondContact O-N 3.06Å; F87-S90 PolarHBondContact O-OG 3.26Å; P88-S90 PolarHBondContact O-N 3.01Å; S90-P92 CarbonylContact O-C 3.46Å; S90-Y93 CarbonylContact O-C 3.52Å; S90-Y93 WeakPolarHBondContact O-CA 3.45Å; S90-Y93 WeakPolarHBondContact O-CB 3.19Å; S90-Y93 VanDerWaalsContact O-CD2 3.25Å; S90-Y93 WeakPolarHBondContact O-CD2 3.15Å; S90-Y93 PolarHBondContact O-N 3.12Å; S90-Y94 PolarHBondContact O-N 3.46Å; S90-H180 PolarHBondContact OG-N 3.34Å; S90-H180 PolarHBondContact OG-O 2.78Å
91	Q	63.9	Low	72	Confident	124 Å²	124	59.8 Å²	59.8	58%	0.579	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	139.9	171.9	-94.2	-164.7	-1.8	0	0	110.3	P88 T89 Y94	P88-Q91 WeakPolarHBondContact O-CG 3.19Å; P88-Q91 PolarHBondContact O-N 3.19Å; P88-Q91 VanDerWaalsContact O-N 3.12Å; T89-Q91 PolarHBondContact O-N 3.45Å; T89-Q91 VanDerWaalsContact O-N 3.1Å; Q91-Y94 HydrophobicContact CG-CD1 3.52Å; Q91-Y94 HydrophobicContact CG-CE1 3.57Å
92	P	64.9	Low	72.7	Confident	49 Å²	49	61.1 Å²	61.1	32%	0.318	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.4	-2.1	0.6	35.2	-35.3	0	0	0	114.9	S90 Y94 K95 L165	S90-P92 CarbonylContact O-C 3.46Å; P92-Y94 VanDerWaalsContact C-N 3.26Å; P92-Y94 PolarHBondContact O-N 3.36Å; P92-Y94 VanDerWaalsContact O-N 3.16Å; P92-K95 PolarHBondContact O-N 3.25Å; P92-L165 HydrophobicContact CG-CD2 3.24Å
93	Y	72.5	Confident	72.6	Confident	26 Å²	26	64.1 Å²	64.1	10%	0.102	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-60.1	-28.1	-171.9	-34.4	-70.2	0	0	0	114.4	S90 K95 Y96 F97 L125 L165 I177	S90-Y93 CarbonylContact O-C 3.52Å; S90-Y93 WeakPolarHBondContact O-CA 3.45Å; S90-Y93 WeakPolarHBondContact O-CB 3.19Å; S90-Y93 VanDerWaalsContact O-CD2 3.25Å; S90-Y93 WeakPolarHBondContact O-CD2 3.15Å; S90-Y93 PolarHBondContact O-N 3.12Å; Y93-K95 PolarHBondContact O-N 3.36Å; Y93-Y96 WeakPolarHBondContact O-CD2 3.08Å; Y93-Y96 PolarHBondContact O-N 2.84Å; Y93-F97 VanDerWaalsContact O-CD2 3.24Å; Y93-F97 WeakPolarHBondContact O-CD2 2.9Å; Y93-L125 HydrophobicContact CD1-CD1 4.35Å; Y93-L125 HydrophobicContact CD1-CD2 4.23Å; Y93-L125 HydrophobicContact CE1-CD1 4.43Å; Y93-L125 HydrophobicContact CE1-CD2 4.5Å; Y93-L165 HydrophobicContact CE1-CB 4.29Å; Y93-L165 HydrophobicContact CE1-CD2 4.18Å; Y93-L165 WeakPolarHBondContact CE1-O 3.32Å; Y93-L165 WeakPolarHBondContact OH-CA 3.48Å; Y93-L165 WeakPolarHBondContact OH-CB 3.49Å; Y93-L165 PolarHBondContact OH-O 2.93Å; Y93-I177 HydrophobicContact CD1-CB 4.26Å; Y93-I177 HydrophobicContact CD1-CD1 4.08Å; Y93-I177 HydrophobicContact CD1-CG2 4.14Å; Y93-I177 HydrophobicContact CE1-CB 4.31Å; Y93-I177 HydrophobicContact CE1-CG2 3.91Å; Y93-I177 HydrophobicContact CG-CD1 4.27Å
94	Y	71.3	Confident	71.8	Confident	94 Å²	94	63.4 Å²	63.4	37%	0.369	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-54	-25.3	-176.2	89.4	-83.5	0	0	0	114.1	S90 Q91 P92 Y96 F97	S90-Y94 PolarHBondContact O-N 3.46Å; Q91-Y94 HydrophobicContact CG-CD1 3.52Å; Q91-Y94 HydrophobicContact CG-CE1 3.57Å; P92-Y94 VanDerWaalsContact C-N 3.26Å; P92-Y94 PolarHBondContact O-N 3.36Å; P92-Y94 VanDerWaalsContact O-N 3.16Å; Y94-Y96 VanDerWaalsContact C-N 3.3Å; Y94-Y96 PolarHBondContact O-N 2.86Å; Y94-F97 PolarHBondContact O-N 3.46Å
95	K	76.3	Confident	70.8	Confident	123 Å²	123	68 Å²	68	54%	0.535	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-67.8	-29.1	178.9	-65.3	-177.7	-179.2	176.9	0	113.1	P92 Y93 F97	P92-K95 PolarHBondContact O-N 3.25Å; Y93-K95 PolarHBondContact O-N 3.36Å; K95-F97 VanDerWaalsContact C-N 3.3Å
96	Y	83.1	Confident	69.8	Low	45 Å²	45	71.5 Å²	71.5	18%	0.176	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-77.7	-18.2	-178.9	-62	-90.6	0	0	0	112.2	Y93 Y94 L116 N117 Q118 S119 I120 L125	Y93-Y96 WeakPolarHBondContact O-CD2 3.08Å; Y93-Y96 PolarHBondContact O-N 2.84Å; Y94-Y96 VanDerWaalsContact C-N 3.3Å; Y94-Y96 PolarHBondContact O-N 2.86Å; Y96-L116 CarbonylContact O-C 3.43Å; Y96-L116 WeakPolarHBondContact O-CA 3.27Å; Y96-N117 PolarHBondContact O-N 2.99Å; Y96-Q118 HydrophobicContact CD1-CB 3.79Å; Y96-Q118 HydrophobicContact CE1-CB 4.43Å; Y96-Q118 PolarHBondContact O-N 3.35Å; Y96-S119 WeakPolarHBondContact CE1-O 3.42Å; Y96-I120 HydrophobicContact CD1-CD1 4.36Å; Y96-I120 HydrophobicContact CD1-CG1 3.44Å; Y96-I120 VanDerWaalsContact CD1-CG1 3.44Å; Y96-I120 HydrophobicContact CE1-CG1 3.89Å; Y96-I120 HydrophobicContact CG-CD1 4.35Å; Y96-I120 HydrophobicContact CG-CG1 3.9Å; Y96-L125 HydrophobicContact CE2-CD1 4.01Å
97	F	85.6	Confident	68.6	Low	6 Å²	6	73.9 Å²	73.9	3%	0.026	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.1	-170.9	-56.1	-80.9	0	0	0	112.7	I44 I54 I86 Y93 Y94 K95 L114 I115 L116 I120 I177 L179 L234	I44-F97 HydrophobicContact CD1-CE1 3.88Å; I44-F97 HydrophobicContact CD1-CZ 4.24Å; I54-F97 HydrophobicContact CD1-CD1 3.53Å; I54-F97 HydrophobicContact CD1-CE1 3.44Å; I54-F97 VanDerWaalsContact CD1-CE1 3.44Å; I86-F97 HydrophobicContact CD1-CB 3.59Å; I86-F97 WeakPolarHBondContact CD1-O 3.47Å; Y93-F97 VanDerWaalsContact O-CD2 3.24Å; Y93-F97 WeakPolarHBondContact O-CD2 2.9Å; Y94-F97 PolarHBondContact O-N 3.46Å; K95-F97 VanDerWaalsContact C-N 3.3Å; F97-L114 HydrophobicContact CB-CD1 4.13Å; F97-I115 CarbonylContact C-O 3.47Å; F97-I115 WeakPolarHBondContact CA-O 3.47Å; F97-L116 HydrophobicContact CD1-CD1 3.91Å; F97-L116 HydrophobicContact CE1-CD1 3.43Å; F97-L116 VanDerWaalsContact CE1-CD1 3.43Å; F97-L116 HydrophobicContact CZ-CD1 3.83Å; F97-I120 HydrophobicContact CE2-CD1 4.5Å; F97-I120 HydrophobicContact CZ-CD1 3.91Å; F97-I177 HydrophobicContact CE2-CD1 4.12Å; F97-I177 HydrophobicContact CZ-CD1 4.15Å; F97-L179 HydrophobicContact CD2-CD1 3.51Å; F97-L179 HydrophobicContact CE2-CD1 3.97Å; F97-L179 HydrophobicContact CG-CD1 4.18Å; F97-L234 HydrophobicContact CD1-CD1 4.31Å; F97-L234 HydrophobicContact CE1-CD1 3.45Å; F97-L234 VanDerWaalsContact CE1-CD1 3.45Å; F97-L234 HydrophobicContact CE2-CD1 3.84Å; F97-L234 HydrophobicContact CZ-CD1 3.19Å
98	I	81.8	Confident	67.6	Low	68 Å²	68	77.9 Å²	77.9	35%	0.349	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.1	174.7	-61.5	-179.4	0	0	0	108.5	K100 I115 N117	I98-K100 HydrophobicContact CG2-CG 4.32Å; I98-I115 PolarHBondContact N-O 2.83Å; I98-I115 PolarHBondContact O-N 3.23Å; I98-N117 HydrophobicContact CD1-CB 3.65Å; I98-N117 VanDerWaalsContact CD1-ND2 3.33Å; I98-N117 WeakPolarHBondContact CD1-ND2 3.49Å; I98-N117 HydrophobicContact CG1-CB 3.89Å
99	I	80.7	Confident	67.1	Low	34 Å²	34	78 Å²	78	17%	0.174	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.9	169.6	-61.3	173.9	0	0	0	108.1	L57 F84 I86 Q112 Y113 L114 L181	L57-I99 HydrophobicContact CD1-CD1 3.85Å; L57-I99 HydrophobicContact CD1-CG1 4.02Å; L57-I99 HydrophobicContact CD1-CG2 4.1Å; F84-I99 HydrophobicContact CB-CD1 3.76Å; F84-I99 WeakPolarHBondContact O-CD1 3.26Å; I86-I99 HydrophobicContact CD1-CD1 4.48Å; I86-I99 HydrophobicContact CD1-CG1 4.2Å; I86-I99 HydrophobicContact CG1-CD1 3.68Å; I86-I99 HydrophobicContact CG1-CG1 3.94Å; I99-Q112 HydrophobicContact CG2-CB 3.96Å; I99-Q112 HydrophobicContact CG2-CG 4.09Å; I99-Y113 WeakPolarHBondContact CA-O 3.34Å; I99-L114 HydrophobicContact CG1-CD1 3.98Å; I99-L181 HydrophobicContact CD1-CD2 3.85Å
100	K	77.8	Confident	67	Low	102 Å²	102	75.8 Å²	75.8	44%	0.443	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.4	171.5	-73.8	-167.1	-172	171.5	0	110.2	I98 Q112 Y113 I115	I98-K100 HydrophobicContact CG2-CG 4.32Å; K100-Q112 WeakPolarHBondContact O-CA 3.04Å; K100-Y113 PolarHBondContact N-O 3.12Å; K100-Y113 PolarHBondContact O-N 2.98Å; K100-I115 HydrophobicContact CB-CD1 3.85Å; K100-I115 HydrophobicContact CD-CD1 3.64Å; K100-I115 HydrophobicContact CG-CD1 3.79Å
101	T	72.8	Confident	67.2	Low	78 Å²	78	77.7 Å²	77.7	48%	0.479	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122	166.3	32.6	0	0	0	0	110.3	E111 Q112	T101-E111 CarbonylContact C-O 3.52Å; T101-E111 WeakPolarHBondContact CA-O 3.49Å; T101-Q112 HydrophobicContact CG2-CG 3.3Å
102	E	68	Low	68	Low	114 Å²	114	72.1 Å²	72.1	53%	0.533	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.4	166.1	-72.2	-171.5	170	0	0	109.9	I104 N110 E111 Y113	E102-I104 PolarHBondContact O-N 2.87Å; E102-N110 CarbonylContact O-C 3.59Å; E102-N110 WeakPolarHBondContact O-CA 3.46Å; E102-E111 PolarHBondContact N-O 2.93Å; E102-E111 PolarHBondContact O-N 2.88Å; E102-Y113 HydrophobicContact CB-CE2 4.35Å
103	T	62.3	Low	68.8	Low	103 Å²	103	72 Å²	72	63%	0.632	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.2	172.6	46	0	0	0	0	108.9	A105 N110	T103-A105 PolarHBondContact O-N 3.3Å; T103-N110 WeakPolarHBondContact CG2-OD1 3.04Å
104	I	53.2	Low	69.4	Low	53 Å²	53	70.8 Å²	70.8	27%	0.272	38%	0.376	S	S	.	.			trans	-75.8	117	174.3	-57.9	-173.8	0	0	0	108.7	E102 T106 T107 N108 L109 E111	E102-I104 PolarHBondContact O-N 2.87Å; I104-T106 VanDerWaalsContact CG2-OG1 3.24Å; I104-T106 WeakPolarHBondContact CG2-OG1 3.18Å; I104-T106 PolarHBondContact O-N 2.8Å; I104-T107 PolarHBondContact O-N 2.88Å; I104-N108 PolarHBondContact O-N 2.66Å; I104-N108 VanDerWaalsContact O-N 3.16Å; I104-L109 PolarHBondContact N-O 3.34Å; I104-E111 HydrophobicContact CD1-CB 4.48Å; I104-E111 HydrophobicContact CD1-CG 3.74Å; I104-E111 VanDerWaalsContact CD1-OE1 3.24Å; I104-E111 WeakPolarHBondContact CD1-OE1 3.4Å; I104-E111 WeakPolarHBondContact CD1-OE2 3.41Å; I104-E111 HydrophobicContact CG1-CG 4.27Å
105	A	53.9	Low	70	Confident	99 Å²	99	66.9 Å²	66.9	82%	0.818	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.9	-176	0	0	0	0	0	114.2	T103	T103-A105 PolarHBondContact O-N 3.3Å
106	T	53	Low	70.5	Confident	126 Å²	126	61 Å²	61	77%	0.773	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-27.7	-176.3	55	0	0	0	0	114.1	I104	I104-T106 VanDerWaalsContact CG2-OG1 3.24Å; I104-T106 WeakPolarHBondContact CG2-OG1 3.18Å; I104-T106 PolarHBondContact O-N 2.8Å
107	T	47.9	Very low	70.6	Confident	76 Å²	76	62.4 Å²	62.4	47%	0.466	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-5.3	-172.9	53.1	0	0	0	0	113.9	I104 L109	I104-T107 PolarHBondContact O-N 2.88Å; T107-L109 PolarHBondContact O-N 3.35Å
108	N	52.1	Low	70.7	Confident	140 Å²	140	66.6 Å²	66.6	75%	0.749	37%	0.366	S	S	*	.			trans	52.2	15.1	-170.6	-87.4	-12.8	0	0	0	113.4	I104	I104-N108 PolarHBondContact O-N 2.66Å; I104-N108 VanDerWaalsContact O-N 3.16Å
109	L	53.8	Low	70.9	Confident	92 Å²	92	65.5 Å²	65.5	48%	0.482	36%	0.364	S	S	.	.			trans	-89.9	122.8	174.9	-69.9	165.8	0	0	0	107.3	I104 T107 E111	I104-L109 PolarHBondContact N-O 3.34Å; T107-L109 PolarHBondContact O-N 3.35Å; L109-E111 PolarHBondContact O-N 2.84Å
110	N	64.6	Low	71.1	Confident	38 Å²	38	64 Å²	64	20%	0.203	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	112.7	169.7	-64	4.6	0	0	0	107.2	K58 E102 T103	K58-N110 VanDerWaalsContact CD-O 3.31Å; K58-N110 WeakPolarHBondContact CD-O 3.24Å; K58-N110 WeakPolarHBondContact CE-O 3.34Å; K58-N110 PolarHBondContact NZ-O 2.78Å; E102-N110 CarbonylContact O-C 3.59Å; E102-N110 WeakPolarHBondContact O-CA 3.46Å; T103-N110 WeakPolarHBondContact CG2-OD1 3.04Å
111	E	71.7	Confident	71.6	Confident	42 Å²	42	61.6 Å²	61.6	20%	0.196	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	147	168.3	-67.8	-170.5	173.7	0	0	109.3	N56 T101 E102 I104 L109 Y113	N56-E111 VanDerWaalsContact ND2-CD 3.32Å; N56-E111 PolarHBondContact ND2-OE2 2.9Å; T101-E111 CarbonylContact C-O 3.52Å; T101-E111 WeakPolarHBondContact CA-O 3.49Å; E102-E111 PolarHBondContact N-O 2.93Å; E102-E111 PolarHBondContact O-N 2.88Å; I104-E111 HydrophobicContact CD1-CB 4.48Å; I104-E111 HydrophobicContact CD1-CG 3.74Å; I104-E111 VanDerWaalsContact CD1-OE1 3.24Å; I104-E111 WeakPolarHBondContact CD1-OE1 3.4Å; I104-E111 WeakPolarHBondContact CD1-OE2 3.41Å; I104-E111 HydrophobicContact CG1-CG 4.27Å; L109-E111 PolarHBondContact O-N 2.84Å; E111-Y113 HydrophobicContact CB-CE2 3.81Å; E111-Y113 PolarHBondContact OE2-OH 3.4Å
112	Q	80.4	Confident	72.2	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.028	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.9	179.8	-82	-176.6	-34.7	0	0	109.5	L57 F84 I99 K100 T101	L57-Q112 HydrophobicContact CB-CB 4.48Å; L57-Q112 WeakPolarHBondContact CB-O 3.28Å; L57-Q112 HydrophobicContact CD1-CB 4.42Å; L57-Q112 PolarHBondContact N-O 3.48Å; F84-Q112 HydrophobicContact CD2-CB 4.47Å; F84-Q112 VanDerWaalsContact CD2-OE1 3.25Å; I99-Q112 HydrophobicContact CG2-CB 3.96Å; I99-Q112 HydrophobicContact CG2-CG 4.09Å; K100-Q112 WeakPolarHBondContact O-CA 3.04Å; T101-Q112 HydrophobicContact CG2-CG 3.3Å
113	Y	82.9	Confident	73	Confident	48 Å²	48	53.6 Å²	53.6	19%	0.188	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130	-179.3	-66.3	-86.1	0	0	0	109.8	I53 S55 N56 I99 K100 E102 E111	I53-Y113 HydrophobicContact CG2-CD1 3.72Å; I53-Y113 HydrophobicContact CG2-CG 4.37Å; S55-Y113 VanDerWaalsContact O-CA 3.29Å; S55-Y113 WeakPolarHBondContact O-CA 3.44Å; N56-Y113 HydrophobicContact CB-CD1 4.05Å; N56-Y113 HydrophobicContact CB-CE1 3.77Å; N56-Y113 PolarHBondContact ND2-OH 3.02Å; I99-Y113 WeakPolarHBondContact CA-O 3.34Å; K100-Y113 PolarHBondContact N-O 3.12Å; K100-Y113 PolarHBondContact O-N 2.98Å; E102-Y113 HydrophobicContact CB-CE2 4.35Å; E111-Y113 HydrophobicContact CB-CE2 3.81Å; E111-Y113 PolarHBondContact OE2-OH 3.4Å
114	L	84.1	Confident	73.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.2	166.6	-174.1	70.2	0	0	0	108.1	I54 S55 L57 I86 F97 I99 L179 I232	I54-L114 HydrophobicContact CB-CD2 4.44Å; I54-L114 WeakPolarHBondContact CB-O 3.47Å; I54-L114 HydrophobicContact CD1-CD2 4.04Å; I54-L114 HydrophobicContact CD1-CG 4.1Å; I54-L114 HydrophobicContact CG2-CD2 4.42Å; I54-L114 PolarHBondContact N-O 2.93Å; S55-L114 PolarHBondContact O-N 2.82Å; L57-L114 HydrophobicContact CD1-CB 4.33Å; L57-L114 HydrophobicContact CD2-CB 3.99Å; L57-L114 HydrophobicContact CG-CB 4.14Å; I86-L114 HydrophobicContact CD1-CD1 4.06Å; F97-L114 HydrophobicContact CB-CD1 4.13Å; I99-L114 HydrophobicContact CG1-CD1 3.98Å; L114-L179 HydrophobicContact CD1-CD2 3.98Å; L114-L179 HydrophobicContact CD2-CD2 4.2Å; L114-I232 HydrophobicContact CD2-CD1 3.82Å
115	I	83.7	Confident	74.9	Confident	11 Å²	11	51.7 Å²	51.7	6%	0.056	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.6	-174.4	-58.6	-178.9	0	0	0	109	P51 L52 I53 F97 I98 K100 N117	P51-I115 HydrophobicContact CB-CG2 3.78Å; L52-I115 CarbonylContact O-C 3.57Å; L52-I115 VanDerWaalsContact O-CA 3.31Å; L52-I115 WeakPolarHBondContact O-CA 3.42Å; I53-I115 HydrophobicContact CG1-CD1 4.35Å; I53-I115 HydrophobicContact CG1-CG1 4.21Å; F97-I115 CarbonylContact C-O 3.47Å; F97-I115 WeakPolarHBondContact CA-O 3.47Å; I98-I115 PolarHBondContact N-O 2.83Å; I98-I115 PolarHBondContact O-N 3.23Å; K100-I115 HydrophobicContact CB-CD1 3.85Å; K100-I115 HydrophobicContact CD-CD1 3.64Å; K100-I115 HydrophobicContact CG-CD1 3.79Å; I115-N117 PolarHBondContact O-N 2.81Å
116	L	86.3	Confident	75.9	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	121.2	164	-171.3	72.4	0	0	0	108	I44 I50 P51 L52 I54 Y96 F97 Q118 I120	I44-L116 HydrophobicContact CG2-CD2 4.09Å; I50-L116 WeakPolarHBondContact CG2-O 3.41Å; P51-L116 VanDerWaalsContact CA-O 3.31Å; P51-L116 WeakPolarHBondContact CA-O 3.39Å; L52-L116 HydrophobicContact CB-CB 4.11Å; L52-L116 PolarHBondContact N-O 3.2Å; L52-L116 PolarHBondContact O-N 3.22Å; I54-L116 HydrophobicContact CD1-CB 4.1Å; I54-L116 HydrophobicContact CG1-CB 4.44Å; Y96-L116 CarbonylContact O-C 3.43Å; Y96-L116 WeakPolarHBondContact O-CA 3.27Å; F97-L116 HydrophobicContact CD1-CD1 3.91Å; F97-L116 HydrophobicContact CE1-CD1 3.43Å; F97-L116 VanDerWaalsContact CE1-CD1 3.43Å; F97-L116 HydrophobicContact CZ-CD1 3.83Å; L116-Q118 WeakPolarHBondContact CD1-O 3.3Å; L116-Q118 VanDerWaalsContact CG-O 3.28Å; L116-Q118 WeakPolarHBondContact CG-O 3.27Å; L116-I120 HydrophobicContact CD1-CD1 3.68Å; L116-I120 HydrophobicContact CD1-CG1 4.14Å
117	N	86.7	Confident	76.5	Confident	73 Å²	73	45.6 Å²	45.6	39%	0.39	24%	0.241	S	C	.	.			trans	-112.6	-11	-177.9	-170.2	60.3	0	0	0	113.5	I50 Y96 I98 I115	I50-N117 VanDerWaalsContact CG2-CA 3.43Å; I50-N117 WeakPolarHBondContact CG2-O 3.32Å; Y96-N117 PolarHBondContact O-N 2.99Å; I98-N117 HydrophobicContact CD1-CB 3.65Å; I98-N117 VanDerWaalsContact CD1-ND2 3.33Å; I98-N117 WeakPolarHBondContact CD1-ND2 3.49Å; I98-N117 HydrophobicContact CG1-CB 3.89Å; I115-N117 PolarHBondContact O-N 2.81Å
118	Q	86.6	Confident	76.4	Confident	95 Å²	95	48.9 Å²	48.9	44%	0.444	25%	0.249	S	C	.	.	S	Bend	trans	-131.7	143	169.2	-63	-171.9	-45.5	0	0	110.1	Y96 L116	Y96-Q118 HydrophobicContact CD1-CB 3.79Å; Y96-Q118 HydrophobicContact CE1-CB 4.43Å; Y96-Q118 PolarHBondContact O-N 3.35Å; L116-Q118 WeakPolarHBondContact CD1-O 3.3Å; L116-Q118 VanDerWaalsContact CG-O 3.28Å; L116-Q118 WeakPolarHBondContact CG-O 3.27Å
119	S	86.3	Confident	76	Confident	44 Å²	44	47.5 Å²	47.5	31%	0.308	25%	0.245	S	C	.	.			trans	-63.4	144	173.5	163.8	0	0	0	0	108.9	E47 Y96	E47-S119 WeakPolarHBondContact CA-OG 3.35Å; Y96-S119 WeakPolarHBondContact CE1-O 3.42Å
120	I	85.5	Confident	75	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	26%	0.261	C	S	.	.			trans	-108.7	115	176.2	-63.8	167.3	0	0	0	106.9	E47 Y96 F97 L116 L125 I236	E47-I120 PolarHBondContact N-O 2.88Å; Y96-I120 HydrophobicContact CD1-CD1 4.36Å; Y96-I120 HydrophobicContact CD1-CG1 3.44Å; Y96-I120 VanDerWaalsContact CD1-CG1 3.44Å; Y96-I120 HydrophobicContact CE1-CG1 3.89Å; Y96-I120 HydrophobicContact CG-CD1 4.35Å; Y96-I120 HydrophobicContact CG-CG1 3.9Å; F97-I120 HydrophobicContact CE2-CD1 4.5Å; F97-I120 HydrophobicContact CZ-CD1 3.91Å; L116-I120 HydrophobicContact CD1-CD1 3.68Å; L116-I120 HydrophobicContact CD1-CG1 4.14Å; I120-L125 HydrophobicContact CG2-CD2 3.72Å; I120-I236 HydrophobicContact CD1-CD1 4.46Å; I120-I236 HydrophobicContact CG2-CD1 3.92Å
121	D	86.9	Confident	73.4	Confident	52 Å²	52	56.4 Å²	56.4	28%	0.278	29%	0.294	S	S	.	.			trans	-88.7	114.4	158.5	166.2	-24.7	0	0	0	105.7	E123 L124 L125	D121-E123 PolarHBondContact OD1-N 2.74Å; D121-L124 HydrophobicContact CB-CB 4.26Å; D121-L124 VanDerWaalsContact OD1-CB 3.29Å; D121-L124 WeakPolarHBondContact OD1-CB 3.34Å; D121-L124 PolarHBondContact OD1-N 2.68Å; D121-L125 VanDerWaalsContact O-CB 3.22Å; D121-L125 WeakPolarHBondContact O-CB 3.41Å; D121-L125 PolarHBondContact O-N 2.89Å; D121-L125 VanDerWaalsContact O-N 3.12Å
122	R	85.9	Confident	71.4	Confident	13 Å²	13	60.9 Å²	60.9	5%	0.049	32%	0.324	C	S	.	.	H	α-helix	trans	-72.4	-41.2	-172.8	-179.7	-155.8	66.9	81.5	-6.4	109.6	E46 L124 L125 C126 C175 I236 D238 Q273	E46-R122 VanDerWaalsContact CD-CB 3.43Å; E46-R122 HydrophobicContact CG-CB 4.44Å; E46-R122 WeakPolarHBondContact OE1-CA 3.25Å; E46-R122 WeakPolarHBondContact OE1-CB 3.31Å; E46-R122 PolarHBondContact OE1-N 3.41Å; E46-R122 WeakPolarHBondContact OE2-CB 3.35Å; E46-R122 IonicContact OE2-NE 3.88Å; R122-L124 PolarHBondContact O-N 3.01Å; R122-L125 PolarHBondContact O-N 2.98Å; R122-C126 WeakPolarHBondContact O-CB 3.39Å; R122-C126 PolarHBondContact O-N 2.8Å; R122-C126 PolarHBondContact O-SG 2.87Å; R122-C126 VanDerWaalsContact O-SG 3.39Å; R122-C175 HydrophobicContact CG-CB 4.4Å; R122-I236 HydrophobicContact CB-CG2 4.19Å; R122-I236 HydrophobicContact CG-CG2 4.31Å; R122-D238 IonicContact CZ-OD1 2.97Å; R122-D238 IonicContact NE-OD1 3.88Å; R122-D238 PolarHBondContact NE-OD1 3.18Å; R122-D238 IonicContact NH2-OD1 3.67Å; R122-D238 PolarHBondContact NH2-OD1 3.09Å; R122-Q273 PolarHBondContact NH2-O 3.09Å
123	E	84.3	Confident	68.7	Low	12 Å²	12	66.4 Å²	66.4	6%	0.056	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-47.5	179.1	-63.2	68.1	-144.5	0	0	109.5	D121 L125 N127 Q273	D121-E123 PolarHBondContact OD1-N 2.74Å; E123-L125 PolarHBondContact O-N 2.99Å; E123-N127 WeakPolarHBondContact O-CA 3.44Å; E123-N127 WeakPolarHBondContact O-CB 3.41Å; E123-N127 PolarHBondContact O-N 3.38Å; E123-Q273 HydrophobicContact CG-CB 4.11Å
124	L	79	Confident	65.9	Low	107 Å²	107	70.9 Å²	70.9	56%	0.56	39%	0.385	S	S	*	.	H	α-helix	trans	-68.1	-35.4	178.4	-169.2	74.3	0	0	0	112.7	D121 R122	D121-L124 HydrophobicContact CB-CB 4.26Å; D121-L124 VanDerWaalsContact OD1-CB 3.29Å; D121-L124 WeakPolarHBondContact OD1-CB 3.34Å; D121-L124 PolarHBondContact OD1-N 2.68Å; R122-L124 PolarHBondContact O-N 3.01Å
125	L	78.3	Confident	63	Low	9 Å²	9	74.6 Å²	74.6	5%	0.047	41%	0.411	C	S	.	.	H	α-helix	trans	-75	-44.6	-178.4	-177.9	63.7	0	0	0	111.9	Y93 Y96 I120 D121 R122 E123 I236	Y93-L125 HydrophobicContact CD1-CD1 4.35Å; Y93-L125 HydrophobicContact CD1-CD2 4.23Å; Y93-L125 HydrophobicContact CE1-CD1 4.43Å; Y93-L125 HydrophobicContact CE1-CD2 4.5Å; Y96-L125 HydrophobicContact CE2-CD1 4.01Å; I120-L125 HydrophobicContact CG2-CD2 3.72Å; D121-L125 VanDerWaalsContact O-CB 3.22Å; D121-L125 WeakPolarHBondContact O-CB 3.41Å; D121-L125 PolarHBondContact O-N 2.89Å; D121-L125 VanDerWaalsContact O-N 3.12Å; R122-L125 PolarHBondContact O-N 2.98Å; E123-L125 PolarHBondContact O-N 2.99Å; L125-I236 HydrophobicContact CD2-CD1 4.31Å
126	C	74.1	Confident	60.2	Low	20 Å²	20	83.2 Å²	83.2	14%	0.135	45%	0.451	C	S	.	.	H	α-helix	trans	-98.2	-27.3	-168.7	-56.2	0	0	0	0	113.1	R122 K128 C166	R122-C126 WeakPolarHBondContact O-CB 3.39Å; R122-C126 PolarHBondContact O-N 2.8Å; R122-C126 PolarHBondContact O-SG 2.87Å; R122-C126 VanDerWaalsContact O-SG 3.39Å; C126-K128 VanDerWaalsContact C-N 3.31Å; C126-K128 PolarHBondContact O-N 3.43Å; C126-C166 VanDerWaalsContact CA-SG 3.5Å; C126-C166 HydrophobicContact CB-CB 3.57Å; C126-C166 WeakPolarHBondContact CB-SG 3.28Å; C126-C166 WeakPolarHBondContact SG-CB 3.22Å; C126-C166 CovalentContact SG-SG 2.04Å; C126-C166 PolarHBondContact SG-SG 2.82Å
127	N	64.7	Low	57.2	Low	76 Å²	76	88.5 Å²	88.5	41%	0.406	49%	0.488	S	S	.	.			trans	-87.3	5.9	-177.2	-145.5	9.6	0	0	0	113.4	E123 T129	E123-N127 WeakPolarHBondContact O-CA 3.44Å; E123-N127 WeakPolarHBondContact O-CB 3.41Å; E123-N127 PolarHBondContact O-N 3.38Å; N127-T129 PolarHBondContact O-N 2.85Å
128	K	47.1	Very low	54.1	Low	145 Å²	145	91.6 Å²	91.6	63%	0.63	50%	0.504	S	S	*	.			trans	-69.3	78.1	174.2	-95.4	-179.1	179.4	171.9	0	111.8	C126	C126-K128 VanDerWaalsContact C-N 3.31Å; C126-K128 PolarHBondContact O-N 3.43Å
129	T	43.2	Very low	51.1	Low	111 Å²	111	92.8 Å²	92.8	68%	0.681	52%	0.518	S	S	*	.			trans	-94.1	113	163	57.5	0	0	0	0	109	N127	N127-T129 PolarHBondContact O-N 2.85Å
130	N	33.6	Very low	48.1	Very low	153 Å²	153	97.8 Å²	97.8	82%	0.818	54%	0.54	S	S	*	.	S	Bend	trans	73.9	55.4	153.4	-58.5	-21.7	0	0	0	121
131	D	30.9	Very low	45.1	Very low	164 Å²	164	107.1 Å²	107.1	88%	0.877	58%	0.584	S	S	*	*			trans	-118.2	9.7	161.4	-104	-11	0	0	0	115.5
132	V	28.1	Very low	42.1	Very low	137 Å²	137	112 Å²	112	83%	0.83	61%	0.609	S	S	*	*			trans	-117.2	87.6	167.5	-171	0	0	0	0	109	N134	V132-N134 PolarHBondContact O-N 3.14Å
133	T	24.6	Very low	39.2	Very low	121 Å²	121	119.3 Å²	119.3	74%	0.742	65%	0.649	S	S	*	*			trans	-41.1	122.7	150.7	44.9	0	0	0	0	110.1
134	N	23.3	Very low	36.3	Very low	142 Å²	142	122.1 Å²	122.1	76%	0.759	68%	0.682	S	S	*	*	S	Bend	trans	54.5	140.8	151	-65	-26.5	0	0	0	119.9	V132	V132-N134 PolarHBondContact O-N 3.14Å
135	S	24	Very low	33.8	Very low	78 Å²	78	124 Å²	124	55%	0.545	69%	0.692	S	S	.	*			trans	75.3	84	151.2	69.2	0	0	0	0	118.5
136	H	23.9	Very low	31.3	Very low	192 Å²	192	130.8 Å²	130.8	89%	0.889	72%	0.724	S	S	*	*	S	Bend		-152.1	13.7	125.6	-92.9	-50.8	0	0	0	114.6	N138	H136-N138 PolarHBondContact O-N 2.97Å
137	S	24.9	Very low	29	Very low	112 Å²	112	135.8 Å²	135.8	78%	0.783	75%	0.749	S	S	*	*			trans	-84.6	60.4	154.4	48.3	0	0	0	0	110.8	V139	S137-V139 VanDerWaalsContact C-N 3.34Å
138	N	22	Very low	27.1	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	76%	0.763	S	S	*	*			trans	-100.1	51.4	165.2	-94.5	-2.6	0	0	0	109.7	H136	H136-N138 PolarHBondContact O-N 2.97Å
139	V	23.5	Very low	26.1	Very low	120 Å²	120	142.4 Å²	142.4	73%	0.727	77%	0.77	S	S	*	*	S	Bend	trans	-145	112	168.8	-175.5	0	0	0	0	106.5	S137	S137-V139 VanDerWaalsContact C-N 3.34Å
140	L	23.1	Very low	25.2	Very low	149 Å²	149	141.8 Å²	141.8	78%	0.78	77%	0.771	S	S	*	*			trans	89.3	61.2	170.3	-49.3	165.8	0	0	0	117.9
141	Q	22.1	Very low	24.7	Very low	198 Å²	198	141.8 Å²	141.8	93%	0.925	77%	0.77	S	S	*	*			trans	-108.7	91.9	137.1	-86.2	-174.7	-16.6	0	0	108.3
142	L	24.1	Very low	24.4	Very low	155 Å²	155	139.3 Å²	139.3	81%	0.812	76%	0.761	S	S	*	*			trans	-84.5	115.3	162.7	-91.2	160.2	0	0	0	107.8	G144	L142-G144 PolarHBondContact O-N 3.17Å
143	N	23.8	Very low	24.3	Very low	166 Å²	166	143 Å²	143	89%	0.888	76%	0.762	S	S	*	*			trans	-48.6	122.7	163.1	-66.9	-33.9	0	0	0	110
144	G	24.9	Very low	24.3	Very low	71 Å²	71	145.1 Å²	145.1	73%	0.732	77%	0.767	S	S	*	*			trans	-165	82.7	-176.2	0	0	0	0	0	111.7	L142	L142-G144 PolarHBondContact O-N 3.17Å
145	N	25.4	Very low	24.2	Very low	145 Å²	145	147.9 Å²	147.9	78%	0.775	78%	0.776	S	S	*	*			trans	-42.4	145.6	170	-77.8	-7	0	0	0	114.2
146	E	26.1	Very low	24.2	Very low	153 Å²	153	152.2 Å²	152.2	72%	0.715	79%	0.787	S	S	*	*			trans	65.8	99.2	136.7	-69	-178.7	-173.7	0	0	119
147	N	25.6	Very low	24.3	Very low	125 Å²	125	152.3 Å²	152.3	67%	0.668	78%	0.781	S	S	*	*				96.7	132.3	116.3	-64.4	-23.4	0	0	0	120.3
148	F	25.1	Very low	24.4	Very low	162 Å²	162	156 Å²	156	71%	0.711	78%	0.779	S	S	*	*			trans	96.3	109.8	145.7	-75.4	-64	0	0	0	121.3
149	Y	25.1	Very low	24.7	Very low	198 Å²	198	155.8 Å²	155.8	78%	0.776	78%	0.778	S	S	*	*			trans	81.7	114.2	148.4	-65.6	-66.6	0	0	0	122.6
150	S	24.7	Very low	25.4	Very low	98 Å²	98	158.1 Å²	158.1	69%	0.685	78%	0.781	S	S	*	*			trans	53.2	104.7	138.7	62.4	0	0	0	0	120
151	N	24.3	Very low	26.1	Very low	152 Å²	152	158.3 Å²	158.3	81%	0.813	78%	0.783	S	S	*	*				-178.3	118.2	110.8	-94	-25.1	0	0	0	110.9
152	T	23.8	Very low	26.9	Very low	112 Å²	112	153.7 Å²	153.7	69%	0.687	76%	0.764	S	S	*	*			trans	-33.8	134.7	142.6	43	0	0	0	0	111.5
153	Y	25.2	Very low	27.9	Very low	214 Å²	214	153.5 Å²	153.5	84%	0.839	76%	0.764	S	S	*	*			trans	138.9	18	156.7	-77.7	-69.6	0	0	0	119.1
154	I	24.8	Very low	29.1	Very low	167 Å²	167	150.1 Å²	150.1	86%	0.856	75%	0.745	S	S	*	*	S	Bend	trans	-123.6	-4.2	170	-56.6	179.3	0	0	0	114.5	Q156	I154-Q156 PolarHBondContact O-N 3.3Å
155	Q	22.1	Very low	30.9	Very low	200 Å²	200	148.9 Å²	148.9	94%	0.935	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	22.9	-176.8	-83.9	-171	-23.6	0	0	116.6
156	Q	23.4	Very low	33.2	Very low	169 Å²	169	142.2 Å²	142.2	79%	0.79	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	1.3	-171.8	-104.1	-176.8	-11.9	0	0	117.5	I154	I154-Q156 PolarHBondContact O-N 3.3Å
157	Y	25.8	Very low	35.9	Very low	194 Å²	194	138.9 Å²	138.9	76%	0.761	67%	0.673	S	S	*	*	S	Bend	trans	-138.4	-0.7	-177.5	-94.1	-77.5	0	0	0	119.8
158	Y	26.9	Very low	38.6	Very low	188 Å²	188	135 Å²	135	74%	0.737	66%	0.655	S	S	*	*			trans	-144.6	95.2	175.8	-74.4	-81.8	0	0	0	110.5	E160	Y158-E160 VanDerWaalsContact C-N 3.3Å; Y158-E160 PolarHBondContact O-N 3.44Å
159	N	29.5	Very low	41.3	Very low	136 Å²	136	132 Å²	132	73%	0.727	64%	0.64	S	S	*	*			trans	-75.2	87.8	168.1	-105.1	-12.9	0	0	0	108	N161 N162	N159-N161 PolarHBondContact O-N 2.94Å; N159-N162 PolarHBondContact O-N 3.46Å
160	E	37	Very low	43.8	Very low	169 Å²	169	127.5 Å²	127.5	79%	0.79	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-14.6	178.4	-71.6	-172.7	153.4	0	0	113.9	Y158	Y158-E160 VanDerWaalsContact C-N 3.3Å; Y158-E160 PolarHBondContact O-N 3.44Å
161	N	39	Very low	46.1	Very low	152 Å²	152	130.9 Å²	130.9	81%	0.813	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-11.4	-178.6	-75.8	-9.2	0	0	0	114.7	N159	N159-N161 PolarHBondContact O-N 2.94Å
162	N	38.7	Very low	48.8	Very low	101 Å²	101	128.5 Å²	128.5	54%	0.54	63%	0.625	S	S	.	*			trans	-126.7	88.9	179.1	-82.2	3.7	0	0	0	107.9	N159 I164	N159-N162 PolarHBondContact O-N 3.46Å; N162-I164 HydrophobicContact CB-CD1 3.72Å; N162-I164 HydrophobicContact CB-CG1 3.87Å; N162-I164 PolarHBondContact O-N 2.88Å
163	N	43.8	Very low	51.5	Low	151 Å²	151	123.6 Å²	123.6	81%	0.807	60%	0.598	S	S	*	*			trans	-65.5	48.5	166.4	-80.7	-19.8	0	0	0	111.1	L165	N163-L165 PolarHBondContact O-N 3.01Å
164	I	49.8	Very low	54.4	Low	95 Å²	95	116.5 Å²	116.5	49%	0.487	57%	0.569	S	S	.	*			trans	-79.9	109.7	177	-63.3	170.5	0	0	0	105.4	N162 C166	N162-I164 HydrophobicContact CB-CD1 3.72Å; N162-I164 HydrophobicContact CB-CG1 3.87Å; N162-I164 PolarHBondContact O-N 2.88Å; I164-C166 WeakPolarHBondContact CG2-O 3.32Å; I164-C166 PolarHBondContact O-N 2.85Å
165	L	63.8	Low	57.3	Low	46 Å²	46	108.6 Å²	108.6	24%	0.241	53%	0.529	C	S	.	.	S	Bend	trans	-62.4	-22.2	177.6	-82.5	101.7	0	0	0	112.7	P92 Y93 N163	P92-L165 HydrophobicContact CG-CD2 3.24Å; Y93-L165 HydrophobicContact CE1-CB 4.29Å; Y93-L165 HydrophobicContact CE1-CD2 4.18Å; Y93-L165 WeakPolarHBondContact CE1-O 3.32Å; Y93-L165 WeakPolarHBondContact OH-CA 3.48Å; Y93-L165 WeakPolarHBondContact OH-CB 3.49Å; Y93-L165 PolarHBondContact OH-O 2.93Å; N163-L165 PolarHBondContact O-N 3.01Å
166	C	73.3	Confident	60.2	Low	4 Å²	4	99.1 Å²	99.1	3%	0.027	48%	0.484	C	S	.	.	S	Bend	trans	-139.7	131.3	-175.2	-50.3	0	0	0	0	111.1	C126 I164 C168 C175 I177	C126-C166 VanDerWaalsContact CA-SG 3.5Å; C126-C166 HydrophobicContact CB-CB 3.57Å; C126-C166 WeakPolarHBondContact CB-SG 3.28Å; C126-C166 WeakPolarHBondContact SG-CB 3.22Å; C126-C166 CovalentContact SG-SG 2.04Å; C126-C166 PolarHBondContact SG-SG 2.82Å; I164-C166 WeakPolarHBondContact CG2-O 3.32Å; I164-C166 PolarHBondContact O-N 2.85Å; C166-C168 PolarHBondContact O-N 3.39Å; C166-C175 HydrophobicContact CB-CB 4.06Å; C166-I177 HydrophobicContact CB-CG2 4.21Å
167	N	81.6	Confident	63.1	Low	84 Å²	84	91.1 Å²	91.1	45%	0.449	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	89.6	169.4	-86.5	-10.2	0	0	0	108.9	T176	N167-T176 WeakPolarHBondContact CB-OG1 3.38Å; N167-T176 PolarHBondContact N-O 2.84Å; N167-T176 PolarHBondContact O-N 2.83Å; N167-T176 PolarHBondContact O-OG1 3.49Å
168	C	83.6	Confident	65.7	Low	42 Å²	42	85.7 Å²	85.7	28%	0.284	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.8	178.1	-62	0	0	0	0	111.6	C166 C175 L275	C166-C168 PolarHBondContact O-N 3.39Å; C168-C175 VanDerWaalsContact CA-SG 3.6Å; C168-C175 HydrophobicContact CB-CB 4.07Å; C168-C175 WeakPolarHBondContact CB-SG 3.26Å; C168-C175 WeakPolarHBondContact SG-CB 3.29Å; C168-C175 CovalentContact SG-SG 2.04Å; C168-C175 PolarHBondContact SG-SG 2.92Å; C168-L275 HydrophobicContact CB-CD1 4.48Å
169	Y	82.2	Confident	68.3	Low	99 Å²	99	76.8 Å²	76.8	39%	0.388	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	82.8	173.9	-64.9	-86.2	0	0	0	108	L171 L172 G173 W174 T176	Y169-L171 PolarHBondContact O-N 2.79Å; Y169-L171 VanDerWaalsContact O-N 3.09Å; Y169-L172 HydrophobicContact CD1-CD1 4.29Å; Y169-L172 HydrophobicContact CG-CD1 4.27Å; Y169-L172 PolarHBondContact O-N 2.73Å; Y169-G173 PolarHBondContact O-N 2.91Å; Y169-G173 VanDerWaalsContact O-N 3.15Å; Y169-W174 AromaticContact CD2-CD1 3.7Å; Y169-W174 AromaticContact CD2-NE1 3.74Å; Y169-W174 PolarHBondContact N-O 2.78Å; Y169-T176 HydrophobicContact CD2-CG2 4.3Å; Y169-T176 HydrophobicContact CE2-CG2 3.73Å; Y169-T176 WeakPolarHBondContact CE2-OG1 3.31Å
170	D	75.9	Confident	70.6	Confident	104 Å²	104	72.4 Å²	72.4	56%	0.556	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-38.3	-169.9	-55.4	-23	0	0	0	113.4	L275 G276	D170-L275 HydrophobicContact CB-CD2 4.48Å; D170-G276 WeakPolarHBondContact O-CA 3.33Å; D170-G276 PolarHBondContact O-N 3.15Å
171	L	73.3	Confident	72.7	Confident	170 Å²	170	64.3 Å²	64.3	89%	0.89	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-25.1	179.5	-64.7	172.9	0	0	0	114	Y169	Y169-L171 PolarHBondContact O-N 2.79Å; Y169-L171 VanDerWaalsContact O-N 3.09Å
172	L	80.6	Confident	74.3	Confident	101 Å²	101	57.1 Å²	57.1	53%	0.529	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-15.5	-175.5	-66.2	171.3	0	0	0	112.5	Y169 W174	Y169-L172 HydrophobicContact CD1-CD1 4.29Å; Y169-L172 HydrophobicContact CG-CD1 4.27Å; Y169-L172 PolarHBondContact O-N 2.73Å; L172-W174 HydrophobicContact CB-CD2 4.04Å; L172-W174 HydrophobicContact CB-CH2 4.2Å; L172-W174 HydrophobicContact CB-CZ2 3.68Å; L172-W174 HydrophobicContact CD1-CZ2 3.8Å; L172-W174 HydrophobicContact CD2-CZ2 4.31Å; L172-W174 HydrophobicContact CG-CZ2 4.14Å
173	G	81.4	Confident	76	Confident	10 Å²	10	53 Å²	53	10%	0.103	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	27.3	176.4	0	0	0	0	0	114.2	Y169 D238	Y169-G173 PolarHBondContact O-N 2.91Å; Y169-G173 VanDerWaalsContact O-N 3.15Å; G173-D238 VanDerWaalsContact O-CB 3.32Å; G173-D238 WeakPolarHBondContact O-CB 3.4Å; G173-D238 PolarHBondContact O-N 3.01Å
174	W	85.8	Confident	76.9	Confident	65 Å²	65	46.3 Å²	46.3	25%	0.246	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.3	177.6	54.2	61.9	0	0	0	113.2	Y169 L172 I236	Y169-W174 AromaticContact CD2-CD1 3.7Å; Y169-W174 AromaticContact CD2-NE1 3.74Å; Y169-W174 PolarHBondContact N-O 2.78Å; L172-W174 HydrophobicContact CB-CD2 4.04Å; L172-W174 HydrophobicContact CB-CH2 4.2Å; L172-W174 HydrophobicContact CB-CZ2 3.68Å; L172-W174 HydrophobicContact CD1-CZ2 3.8Å; L172-W174 HydrophobicContact CD2-CZ2 4.31Å; L172-W174 HydrophobicContact CG-CZ2 4.14Å; W174-I236 CarbonylContact C-O 3.45Å; W174-I236 WeakPolarHBondContact CA-O 3.26Å; W174-I236 WeakPolarHBondContact CB-O 3.41Å
175	C	86.1	Confident	77.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.7	169.3	-59.1	0	0	0	0	111.8	R122 C166 C168 K235 I236 L275	R122-C175 HydrophobicContact CG-CB 4.4Å; C166-C175 HydrophobicContact CB-CB 4.06Å; C168-C175 VanDerWaalsContact CA-SG 3.6Å; C168-C175 HydrophobicContact CB-CB 4.07Å; C168-C175 WeakPolarHBondContact CB-SG 3.26Å; C168-C175 WeakPolarHBondContact SG-CB 3.29Å; C168-C175 CovalentContact SG-SG 2.04Å; C168-C175 PolarHBondContact SG-SG 2.92Å; C175-K235 CarbonylContact O-C 3.27Å; C175-K235 WeakPolarHBondContact O-CA 3.43Å; C175-I236 PolarHBondContact N-O 2.85Å; C175-I236 PolarHBondContact O-N 3.2Å; C175-L275 WeakPolarHBondContact SG-CD1 3.43Å
176	T	83.4	Confident	76.8	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.5	173.9	47	0	0	0	0	110.8	N167 Y169 E233 L234 K235	N167-T176 WeakPolarHBondContact CB-OG1 3.38Å; N167-T176 PolarHBondContact N-O 2.84Å; N167-T176 PolarHBondContact O-N 2.83Å; N167-T176 PolarHBondContact O-OG1 3.49Å; Y169-T176 HydrophobicContact CD2-CG2 4.3Å; Y169-T176 HydrophobicContact CE2-CG2 3.73Å; Y169-T176 WeakPolarHBondContact CE2-OG1 3.31Å; T176-E233 HydrophobicContact CG2-CG 4.03Å; T176-L234 WeakPolarHBondContact CA-O 3.39Å; T176-K235 HydrophobicContact CG2-CG 3.71Å
177	I	83.8	Confident	75.4	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.2	168.4	63.6	170.2	0	0	0	109	Y93 F97 C166 L234 I236	Y93-I177 HydrophobicContact CD1-CB 4.26Å; Y93-I177 HydrophobicContact CD1-CD1 4.08Å; Y93-I177 HydrophobicContact CD1-CG2 4.14Å; Y93-I177 HydrophobicContact CE1-CB 4.31Å; Y93-I177 HydrophobicContact CE1-CG2 3.91Å; Y93-I177 HydrophobicContact CG-CD1 4.27Å; F97-I177 HydrophobicContact CE2-CD1 4.12Å; F97-I177 HydrophobicContact CZ-CD1 4.15Å; C166-I177 HydrophobicContact CB-CG2 4.21Å; I177-L234 HydrophobicContact CD1-CB 4.28Å; I177-L234 HydrophobicContact CD1-CD1 4.14Å; I177-L234 HydrophobicContact CG1-CB 3.72Å; I177-L234 HydrophobicContact CG1-CD1 4.32Å; I177-L234 HydrophobicContact CG1-CG 4.49Å; I177-L234 PolarHBondContact N-O 3.34Å; I177-L234 PolarHBondContact O-N 3.46Å; I177-I236 HydrophobicContact CD1-CD1 3.96Å; I177-I236 HydrophobicContact CG1-CD1 4.17Å; I177-I236 HydrophobicContact CG2-CD1 4.01Å
178	Y	79.8	Confident	73.3	Confident	80 Å²	80	52.1 Å²	52.1	31%	0.314	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.9	-179.7	-61.4	-77	0	0	0	110.1	I231 I232 E233	Y178-I231 HydrophobicContact CD1-CG2 3.82Å; Y178-I231 HydrophobicContact CG-CG2 4.34Å; Y178-I232 CarbonylContact C-O 3.51Å; Y178-I232 WeakPolarHBondContact CA-O 3.33Å; Y178-E233 HydrophobicContact CD1-CB 4.04Å; Y178-E233 HydrophobicContact CD1-CG 4.19Å; Y178-E233 HydrophobicContact CE1-CB 3.84Å; Y178-E233 HydrophobicContact CE1-CG 3.61Å; Y178-E233 WeakPolarHBondContact CE1-OE1 3.5Å; Y178-E233 PolarHBondContact OH-OE1 2.81Å
179	L	81.1	Confident	71	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.3	173.9	-157.9	92.6	0	0	0	108.9	I86 F97 L114 L181 I232	I86-L179 HydrophobicContact CD1-CD2 4.19Å; I86-L179 HydrophobicContact CG1-CD2 4.15Å; I86-L179 HydrophobicContact CG2-CD1 4.02Å; I86-L179 HydrophobicContact CG2-CD2 4.08Å; I86-L179 HydrophobicContact CG2-CG 3.96Å; F97-L179 HydrophobicContact CD2-CD1 3.51Å; F97-L179 HydrophobicContact CE2-CD1 3.97Å; F97-L179 HydrophobicContact CG-CD1 4.18Å; L114-L179 HydrophobicContact CD1-CD2 3.98Å; L114-L179 HydrophobicContact CD2-CD2 4.2Å; L179-L181 HydrophobicContact CD2-CD2 3.86Å; L179-L181 HydrophobicContact CD2-CG 4.37Å; L179-I232 HydrophobicContact CB-CB 4.24Å; L179-I232 PolarHBondContact N-O 3.1Å; L179-I232 PolarHBondContact O-N 2.74Å
180	H	78.7	Confident	68.7	Low	44 Å²	44	62.2 Å²	62.2	20%	0.204	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.8	175	-62	-75.7	0	0	0	109.6	F87 T89 S90	F87-H180 HydrophobicContact CB-CB 3.94Å; F87-H180 WeakPolarHBondContact CB-O 3.32Å; F87-H180 PolarHBondContact N-O 2.97Å; T89-H180 PolarHBondContact OG1-CD2 2.8Å; S90-H180 PolarHBondContact OG-N 3.34Å; S90-H180 PolarHBondContact OG-O 2.78Å
181	L	80.3	Confident	66.5	Low	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.9	172.3	-65.9	-175.2	0	0	0	110.2	L57 L61 F84 I85 I86 I99 L179 F229 F230 I232	L57-L181 HydrophobicContact CD1-CD1 4.04Å; L57-L181 HydrophobicContact CD2-CD1 3.54Å; L57-L181 HydrophobicContact CG-CD1 4.42Å; L61-L181 HydrophobicContact CD1-CD1 4.42Å; F84-L181 HydrophobicContact CD1-CB 4.27Å; F84-L181 HydrophobicContact CD1-CD1 4.28Å; I85-L181 WeakPolarHBondContact O-CA 3.39Å; I86-L181 HydrophobicContact CB-CD2 4.21Å; I86-L181 HydrophobicContact CG1-CD2 3.66Å; I99-L181 HydrophobicContact CD1-CD2 3.85Å; L179-L181 HydrophobicContact CD2-CD2 3.86Å; L179-L181 HydrophobicContact CD2-CG 4.37Å; L181-F229 CarbonylContact O-C 3.56Å; L181-F229 WeakPolarHBondContact O-CA 3.12Å; L181-F230 HydrophobicContact CB-CB 4.24Å; L181-F230 PolarHBondContact N-O 3.46Å; L181-F230 PolarHBondContact O-N 2.7Å; L181-I232 HydrophobicContact CD1-CD1 3.27Å; L181-I232 HydrophobicContact CD1-CG1 3.94Å; L181-I232 HydrophobicContact CG-CD1 4.03Å; L181-I232 HydrophobicContact CG-CG1 4.38Å
182	A	73.2	Confident	64.3	Low	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.4	171.5	0	0	0	0	0	109.6	F84 I85 F87 W220 M227 F229	F84-A182 WeakPolarHBondContact CA-O 3.1Å; I85-A182 PolarHBondContact N-O 2.79Å; I85-A182 PolarHBondContact O-N 2.74Å; F87-A182 HydrophobicContact CD2-CB 4Å; A182-W220 HydrophobicContact CB-CH2 4.3Å; A182-W220 HydrophobicContact CB-CZ3 3.81Å; A182-M227 HydrophobicContact CB-CG 4.29Å; A182-M227 HydrophobicContact CB-SD 4.24Å; A182-F229 HydrophobicContact CB-CD1 4Å; A182-F229 HydrophobicContact CB-CE1 3.92Å
183	L	74	Confident	61.8	Low	14 Å²	14	68.6 Å²	68.6	7%	0.073	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.4	173.6	-175.9	78.3	0	0	0	109.9	I63 H82 E83 F84 M227 K228 F230	I63-L183 HydrophobicContact CD1-CD1 3.68Å; I63-L183 HydrophobicContact CD1-CD2 3.58Å; I63-L183 HydrophobicContact CD1-CG 4.2Å; H82-L183 HydrophobicContact CB-CD1 3.65Å; H82-L183 HydrophobicContact CB-CD2 4.14Å; H82-L183 HydrophobicContact CB-CG 3.76Å; E83-L183 WeakPolarHBondContact O-CA 3.45Å; F84-L183 HydrophobicContact CD1-CB 4.16Å; F84-L183 HydrophobicContact CD1-CD1 3.94Å; F84-L183 HydrophobicContact CD2-CD1 3.98Å; F84-L183 HydrophobicContact CE1-CB 4.1Å; F84-L183 HydrophobicContact CE1-CD1 3.91Å; F84-L183 HydrophobicContact CE2-CD1 3.93Å; F84-L183 HydrophobicContact CG-CD1 4.01Å; F84-L183 HydrophobicContact CZ-CD1 3.94Å; L183-M227 WeakPolarHBondContact O-CG 3.34Å; L183-K228 HydrophobicContact CB-CB 4.43Å; L183-K228 PolarHBondContact N-O 3.43Å; L183-K228 PolarHBondContact O-N 2.93Å; L183-F230 HydrophobicContact CB-CD2 4.43Å; L183-F230 HydrophobicContact CB-CE2 3.79Å; L183-F230 HydrophobicContact CD2-CE2 4.37Å
184	I	64.3	Low	59.2	Low	12 Å²	12	80 Å²	80	6%	0.062	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.2	-170.5	-52.8	-74.4	0	0	0	110.7	H82 E83 I85 L186 W220 M227	H82-I184 CarbonylContact C-O 3.52Å; H82-I184 WeakPolarHBondContact CA-O 3.13Å; H82-I184 WeakPolarHBondContact CB-O 3.41Å; E83-I184 HydrophobicContact CG-CB 4.36Å; E83-I184 PolarHBondContact N-O 2.84Å; E83-I184 PolarHBondContact O-N 2.69Å; I85-I184 HydrophobicContact CD1-CB 4.33Å; I85-I184 HydrophobicContact CD1-CG1 3.74Å; I184-L186 PolarHBondContact O-N 2.85Å; I184-W220 HydrophobicContact CB-CH2 4.36Å; I184-W220 HydrophobicContact CB-CZ2 4.42Å; I184-W220 HydrophobicContact CD1-CD2 3.81Å; I184-W220 HydrophobicContact CD1-CE3 3.33Å; I184-W220 HydrophobicContact CD1-CH2 2.96Å; I184-W220 HydrophobicContact CD1-CZ2 3.48Å; I184-W220 VanDerWaalsContact CD1-CZ2 3.48Å; I184-W220 HydrophobicContact CD1-CZ3 2.91Å; I184-W220 HydrophobicContact CG1-CE3 4.27Å; I184-W220 HydrophobicContact CG1-CH2 2.97Å; I184-W220 HydrophobicContact CG1-CZ2 3.33Å; I184-W220 HydrophobicContact CG1-CZ3 3.54Å; I184-W220 HydrophobicContact CG2-CZ2 4.49Å; I184-M227 HydrophobicContact CD1-CE 3.09Å; I184-M227 HydrophobicContact CD1-CG 3.43Å; I184-M227 VanDerWaalsContact CD1-CG 3.43Å; I184-M227 HydrophobicContact CD1-SD 3.34Å; I184-M227 WeakPolarHBondContact CD1-SD 3.41Å
185	P	60	Low	56.5	Low	38 Å²	38	82.8 Å²	82.8	25%	0.247	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	120.5	166.9	25.4	-31.9	0	0	0	111.3	H187	P185-H187 PolarHBondContact O-N 2.86Å
186	L	51.5	Low	53.7	Low	59 Å²	59	91.4 Å²	91.4	31%	0.309	42%	0.42	S	S	.	.			trans	-66	95.6	171.2	-123.6	124.9	0	0	0	107.9	Q81 E83 I184 N188	Q81-L186 HydrophobicContact CB-CB 3.79Å; Q81-L186 HydrophobicContact CB-CD1 4.37Å; Q81-L186 WeakPolarHBondContact O-CA 3.43Å; Q81-L186 WeakPolarHBondContact O-CB 3.27Å; Q81-L186 PolarHBondContact O-N 3.13Å; E83-L186 HydrophobicContact CB-CD1 3.62Å; E83-L186 HydrophobicContact CG-CD1 3.65Å; E83-L186 HydrophobicContact CG-CG 4.22Å; I184-L186 PolarHBondContact O-N 2.85Å; L186-N188 PolarHBondContact O-N 2.92Å
187	H	42.6	Very low	51	Low	177 Å²	177	97.1 Å²	97.1	82%	0.819	46%	0.46	S	S	*	.			trans	-74.9	106.5	174.8	-134.3	-37.6	0	0	0	108.8	P185 N189	P185-H187 PolarHBondContact O-N 2.86Å; H187-N189 PolarHBondContact O-N 2.82Å
188	N	38.7	Very low	48.4	Very low	76 Å²	76	102.5 Å²	102.5	41%	0.406	50%	0.498	S	S	.	.			trans	-53.4	100.7	177.4	-98.3	-26.7	0	0	0	111.2	L186 R190	L186-N188 PolarHBondContact O-N 2.92Å; N188-R190 VanDerWaalsContact C-N 3.33Å; N188-R190 PolarHBondContact O-N 2.91Å
189	N	34.8	Very low	45.8	Very low	146 Å²	146	106.5 Å²	106.5	78%	0.781	53%	0.525	S	S	*	.			trans	-60.8	88.3	166.7	-97.2	-25.6	0	0	0	109.7	H187	H187-N189 PolarHBondContact O-N 2.82Å
190	R	32.7	Very low	43.1	Very low	208 Å²	208	115 Å²	115	79%	0.785	57%	0.567	S	S	*	*			trans	-122.4	30.1	172.6	-81.2	-163	-178.6	-179.7	3	114.3	N188	N188-R190 VanDerWaalsContact C-N 3.33Å; N188-R190 PolarHBondContact O-N 2.91Å
191	L	29.8	Very low	40.8	Very low	168 Å²	168	117.2 Å²	117.2	88%	0.88	59%	0.587	S	S	*	*	S	Bend	trans	-124.8	11.5	167.7	-86.1	168.2	0	0	0	115.4	N193	L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 2.9Å
192	Y	26.9	Very low	38.3	Very low	212 Å²	212	124 Å²	124	83%	0.831	62%	0.623	S	S	*	*			trans	-97.5	59.4	161.2	-81.7	-80.9	0	0	0	110.7
193	N	29.2	Very low	36.1	Very low	128 Å²	128	131.8 Å²	131.8	68%	0.684	66%	0.664	S	S	*	*			trans	-128.2	38.2	170.9	-102.6	-5.3	0	0	0	112.1	L191	L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 2.9Å
194	R	26.2	Very low	33.9	Very low	250 Å²	250	137.6 Å²	137.6	94%	0.943	70%	0.695	S	S	*	*	S	Bend	trans	-104.7	83.8	143	-80	-167.8	-160	161.9	7.6	107.7
195	I	28.7	Very low	32.2	Very low	124 Å²	124	143.2 Å²	143.2	64%	0.636	73%	0.725	S	S	*	*			trans	-57.4	125.6	176.4	-70.5	160.5	0	0	0	109.5
196	H	27.1	Very low	30.7	Very low	181 Å²	181	147 Å²	147	84%	0.838	75%	0.747	S	S	*	*			trans	6.1	115.6	138.2	-66.1	-85.3	0	0	0	117
197	S	28.4	Very low	29.6	Very low	121 Å²	121	151.6 Å²	151.6	85%	0.846	77%	0.767	S	S	*	*			trans	-170	72.1	141.6	62	0	0	0	0	111.3
198	S	28.2	Very low	28.8	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	77%	0.768	S	S	*	*			trans	-146.1	97.8	154.5	60.6	0	0	0	0	109	M200	S198-M200 PolarHBondContact O-N 3.02Å
199	N	26	Very low	28.1	Very low	163 Å²	163	152.9 Å²	152.9	87%	0.872	78%	0.782	S	S	*	*			trans	-3.1	112.6	155.9	-63.2	-19.2	0	0	0	115.7
200	M	24.5	Very low	27.7	Very low	178 Å²	178	150.5 Å²	150.5	88%	0.877	78%	0.777	S	S	*	*			trans	-146.3	86.5	146.4	-116.1	-173.6	72.5	0	0	109.3	S198	S198-M200 PolarHBondContact O-N 3.02Å
201	S	28.8	Very low	27.3	Very low	92 Å²	92	149.3 Å²	149.3	64%	0.643	78%	0.783	S	S	*	*			trans	-67.1	147.4	151.1	54.2	0	0	0	0	110
202	L	27.7	Very low	27	Very low	142 Å²	142	148.7 Å²	148.7	74%	0.743	78%	0.78	S	S	*	*			trans	64.6	107.5	164.1	-66.2	124.2	0	0	0	116.3
203	L	28.1	Very low	27	Very low	163 Å²	163	144 Å²	144	85%	0.853	77%	0.773	S	S	*	*				-174.2	149.6	86.2	-115.9	116.3	0	0	0	110.9
204	N	27.4	Very low	26.8	Very low	136 Å²	136	146.8 Å²	146.8	73%	0.727	78%	0.779	S	S	*	*			trans	-65.7	160.8	179.8	-81.1	-27.4	0	0	0	113.6
205	N	28.6	Very low	26.9	Very low	130 Å²	130	140.1 Å²	140.1	70%	0.695	77%	0.768	S	S	*	*			trans	89.5	107.2	141.4	-70.5	-11.8	0	0	0	118.2
206	T	28.1	Very low	27	Very low	117 Å²	117	137.6 Å²	137.6	72%	0.718	76%	0.759	S	S	*	*				74	136.6	126.6	61.2	0	0	0	0	117
207	Q	29.2	Very low	27.4	Very low	157 Å²	157	134.4 Å²	134.4	73%	0.734	75%	0.752	S	S	*	*			trans	91.6	110.1	160.6	-48.6	-162.1	-28.6	0	0	113.9
208	E	24.5	Very low	27.8	Very low	177 Å²	177	132.4 Å²	132.4	83%	0.827	73%	0.732	S	S	*	*				58.4	78.5	128.8	-60.9	177.3	178.6	0	0	114.6
209	S	24.6	Very low	28.3	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	73%	0.728	S	S	*	*			trans	-159.9	118.8	141.7	34.1	0	0	0	0	109.9
210	S	26.5	Very low	29.1	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	70%	0.701	S	S	*	*			trans	56.8	123.3	152.5	55.9	0	0	0	0	116.1	L212	S210-L212 PolarHBondContact O-N 2.9Å
211	M	23.7	Very low	29.9	Very low	184 Å²	184	128.5 Å²	128.5	91%	0.906	69%	0.686	S	S	*	*			trans	-45.2	89.3	145.1	-63.6	-167.9	-179.2	0	0	109.1	T213	M211-T213 PolarHBondContact O-N 2.87Å
212	L	24	Very low	30.6	Very low	155 Å²	155	130.8 Å²	130.8	81%	0.812	69%	0.692	S	S	*	*			trans	-62.6	98.7	155.2	-88.8	157.4	0	0	0	103.2	S210 K214	S210-L212 PolarHBondContact O-N 2.9Å; L212-K214 VanDerWaalsContact C-N 3.34Å; L212-K214 PolarHBondContact O-N 2.89Å
213	T	27	Very low	31.3	Very low	113 Å²	113	125.3 Å²	125.3	69%	0.693	67%	0.665	S	S	*	*			trans	-47	98.2	-179.4	49.1	0	0	0	0	108.6	M211	M211-T213 PolarHBondContact O-N 2.87Å
214	K	26.3	Very low	32	Very low	187 Å²	187	121.5 Å²	121.5	81%	0.813	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-47.8	131.4	152	-80.9	179.9	174.9	177.9	0	104.9	L212 T216	L212-K214 VanDerWaalsContact C-N 3.34Å; L212-K214 PolarHBondContact O-N 2.89Å; K214-T216 PolarHBondContact O-N 2.91Å
215	P	28.2	Very low	32.9	Very low	109 Å²	109	120.9 Å²	120.9	71%	0.708	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-48.9	118.6	-174.7	21.3	-30.7	0	0	0	106.5	T217 Y219	P215-T217 PolarHBondContact O-N 3.47Å; P215-Y219 HydrophobicContact CB-CD2 4.47Å
216	T	30	Very low	33.9	Very low	71 Å²	71	117.6 Å²	117.6	44%	0.436	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-53.3	146.5	-174.1	46.5	0	0	0	0	107.7	K214 D218 Y219	K214-T216 PolarHBondContact O-N 2.91Å; T216-D218 WeakPolarHBondContact CB-OD2 3.48Å; T216-D218 PolarHBondContact O-N 2.7Å; T216-D218 PolarHBondContact OG1-OD2 3.09Å; T216-Y219 PolarHBondContact O-N 3.23Å
217	T	35.4	Very low	35.3	Very low	115 Å²	115	112.9 Å²	112.9	71%	0.706	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	6.8	165.4	41.5	0	0	0	0	113.9	P215 W220	P215-T217 PolarHBondContact O-N 3.47Å; T217-W220 PolarHBondContact O-N 2.73Å
218	D	36.6	Very low	37	Very low	78 Å²	78	110.1 Å²	110.1	42%	0.417	59%	0.594	S	S	.	*	H	α-helix	trans	-76.9	-17.7	174.3	-58.2	-31.3	0	0	0	113.3	T216 W220 L221 N222	T216-D218 WeakPolarHBondContact CB-OD2 3.48Å; T216-D218 PolarHBondContact O-N 2.7Å; T216-D218 PolarHBondContact OG1-OD2 3.09Å; D218-W220 PolarHBondContact O-N 2.76Å; D218-L221 PolarHBondContact O-N 2.72Å; D218-N222 WeakPolarHBondContact O-CB 3.39Å; D218-N222 PolarHBondContact O-N 2.76Å
219	Y	40.1	Very low	39.2	Very low	184 Å²	184	106.4 Å²	106.4	72%	0.722	58%	0.575	S	S	*	*	H	α-helix	trans	-63.1	-32.5	171.1	-92.8	-77.3	0	0	0	111.5	P215 T216 S223	P215-Y219 HydrophobicContact CB-CD2 4.47Å; T216-Y219 PolarHBondContact O-N 3.23Å; Y219-S223 PolarHBondContact O-OG 2.85Å
220	W	41.4	Very low	41.6	Very low	82 Å²	82	102.2 Å²	102.2	31%	0.311	54%	0.544	S	S	.	.	H	α-helix	trans	-75.2	-43.9	174.8	-86.4	76.2	0	0	0	112.1	I85 F87 A182 I184 T217 D218 N222 S223 I224 M227	I85-W220 HydrophobicContact CB-CH2 3.6Å; I85-W220 HydrophobicContact CB-CZ2 3.92Å; I85-W220 HydrophobicContact CD1-CH2 3.63Å; I85-W220 HydrophobicContact CD1-CZ2 3.45Å; I85-W220 VanDerWaalsContact CD1-CZ2 3.45Å; I85-W220 HydrophobicContact CG1-CH2 3.82Å; I85-W220 HydrophobicContact CG1-CZ2 3.64Å; I85-W220 HydrophobicContact CG2-CH2 4.13Å; I85-W220 HydrophobicContact CG2-CZ2 4.3Å; F87-W220 HydrophobicContact CD2-CZ3 4.43Å; F87-W220 HydrophobicContact CE2-CE3 4.47Å; F87-W220 HydrophobicContact CE2-CZ3 4.38Å; A182-W220 HydrophobicContact CB-CH2 4.3Å; A182-W220 HydrophobicContact CB-CZ3 3.81Å; I184-W220 HydrophobicContact CB-CH2 4.36Å; I184-W220 HydrophobicContact CB-CZ2 4.42Å; I184-W220 HydrophobicContact CD1-CD2 3.81Å; I184-W220 HydrophobicContact CD1-CE3 3.33Å; I184-W220 HydrophobicContact CD1-CH2 2.96Å; I184-W220 HydrophobicContact CD1-CZ2 3.48Å; I184-W220 VanDerWaalsContact CD1-CZ2 3.48Å; I184-W220 HydrophobicContact CD1-CZ3 2.91Å; I184-W220 HydrophobicContact CG1-CE3 4.27Å; I184-W220 HydrophobicContact CG1-CH2 2.97Å; I184-W220 HydrophobicContact CG1-CZ2 3.33Å; I184-W220 HydrophobicContact CG1-CZ3 3.54Å; I184-W220 HydrophobicContact CG2-CZ2 4.49Å; T217-W220 PolarHBondContact O-N 2.73Å; D218-W220 PolarHBondContact O-N 2.76Å; W220-N222 VanDerWaalsContact C-N 3.34Å; W220-N222 PolarHBondContact O-N 2.75Å; W220-S223 PolarHBondContact O-N 2.83Å; W220-S223 PolarHBondContact O-OG 2.93Å; W220-I224 PolarHBondContact O-N 3.13Å; W220-M227 HydrophobicContact CB-CE 4.47Å; W220-M227 HydrophobicContact CD2-CE 4.08Å; W220-M227 HydrophobicContact CE3-CE 3.46Å; W220-M227 VanDerWaalsContact CE3-CE 3.46Å; W220-M227 HydrophobicContact CE3-SD 3.54Å; W220-M227 VanDerWaalsContact CE3-SD 3.54Å; W220-M227 HydrophobicContact CZ3-CE 4.01Å; W220-M227 HydrophobicContact CZ3-SD 3.64Å; W220-M227 WeakPolarHBondContact O-CE 3.2Å
221	L	42	Very low	43.8	Very low	108 Å²	108	99.7 Å²	99.7	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-65.3	-35	179.2	-80.1	146.8	0	0	0	112.9	D218 S223 I224	D218-L221 PolarHBondContact O-N 2.72Å; L221-S223 VanDerWaalsContact C-N 3.28Å; L221-S223 PolarHBondContact O-N 3.33Å; L221-I224 HydrophobicContact CB-CD1 4.32Å; L221-I224 HydrophobicContact CD2-CD1 3.5Å; L221-I224 HydrophobicContact CG-CD1 4.19Å; L221-I224 WeakPolarHBondContact O-CG1 3.29Å; L221-I224 PolarHBondContact O-N 2.84Å
222	N	43	Very low	46.5	Very low	141 Å²	141	90.9 Å²	90.9	75%	0.754	48%	0.479	S	S	*	.	H	α-helix	trans	-75.2	-14.8	177.8	-76.9	-23.5	0	0	0	114.1	D218 W220	D218-N222 WeakPolarHBondContact O-CB 3.39Å; D218-N222 PolarHBondContact O-N 2.76Å; W220-N222 VanDerWaalsContact C-N 3.34Å; W220-N222 PolarHBondContact O-N 2.75Å
223	S	42.7	Very low	49.1	Very low	26 Å²	26	85 Å²	85	18%	0.182	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	6.8	176	46.6	0	0	0	0	113.5	Y219 W220 L221 S225 S226 M227	Y219-S223 PolarHBondContact O-OG 2.85Å; W220-S223 PolarHBondContact O-N 2.83Å; W220-S223 PolarHBondContact O-OG 2.93Å; L221-S223 VanDerWaalsContact C-N 3.28Å; L221-S223 PolarHBondContact O-N 3.33Å; S223-S225 PolarHBondContact O-N 2.7Å; S223-S225 VanDerWaalsContact O-N 3.13Å; S223-S226 PolarHBondContact O-N 3.43Å; S223-S226 PolarHBondContact O-OG 3.43Å; S223-M227 PolarHBondContact O-N 2.73Å; S223-M227 WeakPolarHBondContact OG-CE 3.28Å
224	I	42.7	Very low	51.9	Low	84 Å²	84	79.6 Å²	79.6	43%	0.431	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-54.1	-34.7	175.3	-71.3	174.9	0	0	0	111.7	W220 L221 S226 M227	W220-I224 PolarHBondContact O-N 3.13Å; L221-I224 HydrophobicContact CB-CD1 4.32Å; L221-I224 HydrophobicContact CD2-CD1 3.5Å; L221-I224 HydrophobicContact CG-CD1 4.19Å; L221-I224 WeakPolarHBondContact O-CG1 3.29Å; L221-I224 PolarHBondContact O-N 2.84Å; I224-S226 PolarHBondContact O-N 2.61Å; I224-M227 PolarHBondContact O-N 3.24Å
225	S	47.5	Very low	54.7	Low	122 Å²	122	72.8 Å²	72.8	85%	0.853	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-61.6	-17.9	179.4	71.7	0	0	0	0	114.3	S223	S223-S225 PolarHBondContact O-N 2.7Å; S223-S225 VanDerWaalsContact O-N 3.13Å
226	S	49.2	Very low	57.5	Low	62 Å²	62	67.6 Å²	67.6	43%	0.434	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-120.8	9.1	177.9	69.2	0	0	0	0	113.9	S223 I224	S223-S226 PolarHBondContact O-N 3.43Å; S223-S226 PolarHBondContact O-OG 3.43Å; I224-S226 PolarHBondContact O-N 2.61Å
227	M	57.1	Low	60.2	Low	17 Å²	17	66.5 Å²	66.5	8%	0.084	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-86.8	127	-176.8	-134.2	171.4	-90.8	0	0	109.7	A182 L183 I184 W220 S223 I224 F229	A182-M227 HydrophobicContact CB-CG 4.29Å; A182-M227 HydrophobicContact CB-SD 4.24Å; L183-M227 WeakPolarHBondContact O-CG 3.34Å; I184-M227 HydrophobicContact CD1-CE 3.09Å; I184-M227 HydrophobicContact CD1-CG 3.43Å; I184-M227 VanDerWaalsContact CD1-CG 3.43Å; I184-M227 HydrophobicContact CD1-SD 3.34Å; I184-M227 WeakPolarHBondContact CD1-SD 3.41Å; W220-M227 HydrophobicContact CB-CE 4.47Å; W220-M227 HydrophobicContact CD2-CE 4.08Å; W220-M227 HydrophobicContact CE3-CE 3.46Å; W220-M227 VanDerWaalsContact CE3-CE 3.46Å; W220-M227 HydrophobicContact CE3-SD 3.54Å; W220-M227 VanDerWaalsContact CE3-SD 3.54Å; W220-M227 HydrophobicContact CZ3-CE 4.01Å; W220-M227 HydrophobicContact CZ3-SD 3.64Å; W220-M227 WeakPolarHBondContact O-CE 3.2Å; S223-M227 PolarHBondContact O-N 2.73Å; S223-M227 WeakPolarHBondContact OG-CE 3.28Å; I224-M227 PolarHBondContact O-N 3.24Å; M227-F229 HydrophobicContact CB-CE2 4.38Å; M227-F229 HydrophobicContact SD-CZ 4.22Å
228	K	64.7	Low	62.8	Low	99 Å²	99	61.5 Å²	61.5	43%	0.43	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.4	170.2	-76.5	-173.3	177.5	-177.7	0	109.3	L183 F230	L183-K228 HydrophobicContact CB-CB 4.43Å; L183-K228 PolarHBondContact N-O 3.43Å; L183-K228 PolarHBondContact O-N 2.93Å; K228-F230 HydrophobicContact CB-CE2 3.72Å; K228-F230 HydrophobicContact CB-CZ 4.1Å
229	F	70.2	Confident	65.2	Low	100 Å²	100	60 Å²	60	44%	0.439	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.7	174.3	-64.4	-82.8	0	0	0	110.1	F87 L181 A182 M227	F87-F229 HydrophobicContact CD2-CE1 4.05Å; F87-F229 HydrophobicContact CE1-CE1 4.48Å; F87-F229 AromaticContact CE2-CE1 3.88Å; F87-F229 HydrophobicContact CE2-CE1 3.88Å; F87-F229 HydrophobicContact CE2-CZ 4.5Å; F87-F229 HydrophobicContact CG-CE1 4.43Å; F87-F229 HydrophobicContact CZ-CE1 4.11Å; L181-F229 CarbonylContact O-C 3.56Å; L181-F229 WeakPolarHBondContact O-CA 3.12Å; A182-F229 HydrophobicContact CB-CD1 4Å; A182-F229 HydrophobicContact CB-CE1 3.92Å; M227-F229 HydrophobicContact CB-CE2 4.38Å; M227-F229 HydrophobicContact SD-CZ 4.22Å
230	F	75.1	Confident	67.5	Low	13 Å²	13	52.1 Å²	52.1	6%	0.057	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.2	174.5	-59.5	-93	0	0	0	108	I38 L61 I63 F84 L181 L183 K228	I38-F230 HydrophobicContact CB-CD1 4.38Å; I38-F230 HydrophobicContact CD1-CE1 4.27Å; L61-F230 HydrophobicContact CB-CD1 4.38Å; L61-F230 HydrophobicContact CB-CE1 4.22Å; L61-F230 HydrophobicContact CD1-CB 4.41Å; L61-F230 HydrophobicContact CD1-CD1 4.29Å; L61-F230 HydrophobicContact CD1-CG 4.21Å; L61-F230 HydrophobicContact CD2-CB 4.21Å; L61-F230 HydrophobicContact CD2-CD1 3.63Å; L61-F230 HydrophobicContact CD2-CE1 4.27Å; L61-F230 HydrophobicContact CD2-CG 4.15Å; L61-F230 HydrophobicContact CG-CD1 4.33Å; I63-F230 HydrophobicContact CD1-CZ 4.25Å; F84-F230 HydrophobicContact CD1-CD2 4.42Å; F84-F230 AromaticContact CE1-CD2 3.61Å; F84-F230 HydrophobicContact CE1-CD2 3.61Å; F84-F230 AromaticContact CE1-CE2 3.71Å; F84-F230 HydrophobicContact CE1-CE2 3.71Å; F84-F230 HydrophobicContact CE1-CG 4.3Å; F84-F230 HydrophobicContact CE1-CZ 4.46Å; F84-F230 HydrophobicContact CZ-CE2 4.36Å; L181-F230 HydrophobicContact CB-CB 4.24Å; L181-F230 PolarHBondContact N-O 3.46Å; L181-F230 PolarHBondContact O-N 2.7Å; L183-F230 HydrophobicContact CB-CD2 4.43Å; L183-F230 HydrophobicContact CB-CE2 3.79Å; L183-F230 HydrophobicContact CD2-CE2 4.37Å; K228-F230 HydrophobicContact CB-CE2 3.72Å; K228-F230 HydrophobicContact CB-CZ 4.1Å
231	I	73.7	Confident	69.7	Low	43 Å²	43	50.6 Å²	50.6	22%	0.221	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.9	175.8	-56.2	-178.9	0	0	0	105.6	S39 Y178	S39-I231 VanDerWaalsContact CA-O 3.29Å; S39-I231 WeakPolarHBondContact CA-O 3.29Å; Y178-I231 HydrophobicContact CD1-CG2 3.82Å; Y178-I231 HydrophobicContact CG-CG2 4.34Å
232	I	78.8	Confident	72	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.8	170.2	-63.4	-177	0	0	0	107.1	Y42 L57 L114 Y178 L179 L181 L234	Y42-I232 HydrophobicContact CD2-CG2 3.48Å; Y42-I232 VanDerWaalsContact CD2-CG2 3.48Å; Y42-I232 HydrophobicContact CE2-CD1 4.21Å; Y42-I232 HydrophobicContact CE2-CG2 3.73Å; L57-I232 HydrophobicContact CD2-CD1 3.69Å; L114-I232 HydrophobicContact CD2-CD1 3.82Å; Y178-I232 CarbonylContact C-O 3.51Å; Y178-I232 WeakPolarHBondContact CA-O 3.33Å; L179-I232 HydrophobicContact CB-CB 4.24Å; L179-I232 PolarHBondContact N-O 3.1Å; L179-I232 PolarHBondContact O-N 2.74Å; L181-I232 HydrophobicContact CD1-CD1 3.27Å; L181-I232 HydrophobicContact CD1-CG1 3.94Å; L181-I232 HydrophobicContact CG-CD1 4.03Å; L181-I232 HydrophobicContact CG-CG1 4.38Å; I232-L234 HydrophobicContact CG2-CD2 3.54Å; I232-L234 HydrophobicContact CG2-CG 3.9Å
233	E	80.6	Confident	74.2	Confident	31 Å²	31	44.5 Å²	44.5	15%	0.145	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.1	169.1	-177.5	167.8	-145.5	0	0	107.8	I40 T41 Y42 T176 Y178	I40-E233 PolarHBondContact O-N 2.99Å; T41-E233 CarbonylContact C-O 3.58Å; T41-E233 WeakPolarHBondContact CA-O 3.33Å; T41-E233 HydrophobicContact CG2-CB 3.82Å; T41-E233 HydrophobicContact CG2-CG 3.89Å; T41-E233 WeakPolarHBondContact CG2-OE2 3.38Å; Y42-E233 PolarHBondContact N-O 3.39Å; T176-E233 HydrophobicContact CG2-CG 4.03Å; Y178-E233 HydrophobicContact CD1-CB 4.04Å; Y178-E233 HydrophobicContact CD1-CG 4.19Å; Y178-E233 HydrophobicContact CE1-CB 3.84Å; Y178-E233 HydrophobicContact CE1-CG 3.61Å; Y178-E233 WeakPolarHBondContact CE1-OE1 3.5Å; Y178-E233 PolarHBondContact OH-OE1 2.81Å
234	L	85.3	Confident	76.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.9	175.8	-58.3	172.7	0	0	0	108.1	Y42 I44 I54 F97 T176 I177 I232	Y42-L234 HydrophobicContact CD2-CD2 3.91Å; Y42-L234 HydrophobicContact CG-CD2 4.31Å; Y42-L234 CarbonylContact O-C 3.52Å; Y42-L234 WeakPolarHBondContact O-CA 3.33Å; I44-L234 HydrophobicContact CD1-CB 4.36Å; I44-L234 HydrophobicContact CD1-CD1 4.13Å; I44-L234 HydrophobicContact CD1-CD2 4.09Å; I44-L234 HydrophobicContact CD1-CG 4.44Å; I54-L234 HydrophobicContact CG2-CD2 4.28Å; F97-L234 HydrophobicContact CD1-CD1 4.31Å; F97-L234 HydrophobicContact CE1-CD1 3.45Å; F97-L234 VanDerWaalsContact CE1-CD1 3.45Å; F97-L234 HydrophobicContact CE2-CD1 3.84Å; F97-L234 HydrophobicContact CZ-CD1 3.19Å; T176-L234 WeakPolarHBondContact CA-O 3.39Å; I177-L234 HydrophobicContact CD1-CB 4.28Å; I177-L234 HydrophobicContact CD1-CD1 4.14Å; I177-L234 HydrophobicContact CG1-CB 3.72Å; I177-L234 HydrophobicContact CG1-CD1 4.32Å; I177-L234 HydrophobicContact CG1-CG 4.49Å; I177-L234 PolarHBondContact N-O 3.34Å; I177-L234 PolarHBondContact O-N 3.46Å; I232-L234 HydrophobicContact CG2-CD2 3.54Å; I232-L234 HydrophobicContact CG2-CG 3.9Å
235	K	85	Confident	78.6	Confident	44 Å²	44	44.1 Å²	44.1	19%	0.191	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.3	171.4	-69	177.9	-179	-178.9	0	108.6	Y42 E43 I44 C175 T176	Y42-K235 PolarHBondContact O-N 2.85Å; E43-K235 CarbonylContact C-O 3.6Å; E43-K235 WeakPolarHBondContact CA-O 3.45Å; E43-K235 HydrophobicContact CG-CB 3.89Å; E43-K235 HydrophobicContact CG-CD 3.95Å; E43-K235 IonicContact OE1-NZ 2.69Å; I44-K235 PolarHBondContact N-O 3.34Å; C175-K235 CarbonylContact O-C 3.27Å; C175-K235 WeakPolarHBondContact O-CA 3.43Å; T176-K235 HydrophobicContact CG2-CG 3.71Å
236	I	87	Confident	80.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	109.4	171.2	-58.9	161.6	0	0	0	107.1	I44 E46 I120 R122 L125 W174 C175 I177	I44-I236 CarbonylContact O-C 3.57Å; I44-I236 VanDerWaalsContact O-CA 3.25Å; I44-I236 WeakPolarHBondContact O-CA 3.48Å; E46-I236 HydrophobicContact CB-CG2 4.12Å; I120-I236 HydrophobicContact CD1-CD1 4.46Å; I120-I236 HydrophobicContact CG2-CD1 3.92Å; R122-I236 HydrophobicContact CB-CG2 4.19Å; R122-I236 HydrophobicContact CG-CG2 4.31Å; L125-I236 HydrophobicContact CD2-CD1 4.31Å; W174-I236 CarbonylContact C-O 3.45Å; W174-I236 WeakPolarHBondContact CA-O 3.26Å; W174-I236 WeakPolarHBondContact CB-O 3.41Å; C175-I236 PolarHBondContact N-O 2.85Å; C175-I236 PolarHBondContact O-N 3.2Å; I177-I236 HydrophobicContact CD1-CD1 3.96Å; I177-I236 HydrophobicContact CG1-CD1 4.17Å; I177-I236 HydrophobicContact CG2-CD1 4.01Å
237	I	86.9	Confident	82	Confident	47 Å²	47	42.8 Å²	42.8	24%	0.241	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.8	177.6	-58.4	174.3	0	0	0	107.9	E43 I44 E46	E43-I237 HydrophobicContact CB-CD1 3.94Å; E43-I237 HydrophobicContact CG-CD1 4.25Å; I44-I237 PolarHBondContact O-N 3.17Å; E46-I237 WeakPolarHBondContact CB-O 3.32Å; E46-I237 PolarHBondContact N-O 3.48Å
238	D	88.8	Confident	83.6	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.053	23%	0.226	C	C	.	.			trans	-66.1	146.3	179.8	179.2	94.8	0	0	0	112.4	E46 R122 G173 D274 L275 N278	E46-D238 WeakPolarHBondContact OE2-CA 3.47Å; R122-D238 IonicContact CZ-OD1 2.97Å; R122-D238 IonicContact NE-OD1 3.88Å; R122-D238 PolarHBondContact NE-OD1 3.18Å; R122-D238 IonicContact NH2-OD1 3.67Å; R122-D238 PolarHBondContact NH2-OD1 3.09Å; G173-D238 VanDerWaalsContact O-CB 3.32Å; G173-D238 WeakPolarHBondContact O-CB 3.4Å; G173-D238 PolarHBondContact O-N 3.01Å; D238-D274 WeakPolarHBondContact OD1-CA 2.86Å; D238-L275 HydrophobicContact CB-CB 3.82Å; D238-L275 HydrophobicContact CB-CD1 4.27Å; D238-L275 HydrophobicContact CB-CG 4.26Å; D238-L275 PolarHBondContact OD1-N 3.13Å; D238-L275 PolarHBondContact OD2-N 2.83Å; D238-N278 PolarHBondContact OD2-ND2 2.85Å
239	I	87.8	Confident	84.7	Confident	46 Å²	46	43 Å²	43	24%	0.236	23%	0.226	C	C	.	.			trans	-116.7	159.2	172.7	62.9	172.8	0	0	0	110.2	I45 E46 E47 D241	I45-I239 HydrophobicContact CG2-CG2 3.54Å; E46-I239 HydrophobicContact CB-CG1 4.18Å; E46-I239 HydrophobicContact CB-CG2 4.28Å; E46-I239 HydrophobicContact CG-CD1 4.16Å; E46-I239 HydrophobicContact CG-CG1 3.86Å; E47-I239 HydrophobicContact CB-CD1 3.95Å; E47-I239 HydrophobicContact CG-CD1 4.07Å; I239-D241 VanDerWaalsContact C-N 3.29Å; I239-D241 HydrophobicContact CD1-CB 4.13Å; I239-D241 HydrophobicContact CG1-CB 4.07Å; I239-D241 PolarHBondContact O-N 3.12Å
240	N	88.7	Confident	85.8	Confident	20 Å²	20	43.4 Å²	43.4	11%	0.107	23%	0.233	C	C	.	.	S	Bend	trans	-83.3	64.8	-178.9	-160.1	58.9	0	0	0	112.1	D274 N278 D369 S371 H374 K376	N240-D274 VanDerWaalsContact CA-OD2 3.29Å; N240-D274 WeakPolarHBondContact CA-OD2 3.29Å; N240-D274 PolarHBondContact OD1-OD2 2.94Å; N240-N278 HydrophobicContact CB-CB 4.13Å; N240-N278 PolarHBondContact N-ND2 3.49Å; N240-N278 WeakPolarHBondContact OD1-CA 3.34Å; N240-N278 VanDerWaalsContact OD1-CB 3.23Å; N240-N278 WeakPolarHBondContact OD1-CB 3Å; N240-N278 PolarHBondContact OD1-O 3.05Å; N240-D369 PolarHBondContact ND2-OD2 3.31Å; N240-D369 PolarHBondContact OD1-OD2 3.22Å; N240-S371 WeakPolarHBondContact ND2-CB 3.25Å; N240-H374 PolarHBondContact ND2-O 3.45Å; N240-K376 WeakPolarHBondContact O-CE 3.36Å; N240-K376 PolarHBondContact O-NZ 2.62Å
241	D	87.6	Confident	86.5	Confident	50 Å²	50	46.7 Å²	46.7	27%	0.267	25%	0.245	S	C	.	.			trans	-98	-16.6	-175.8	76.8	-47.1	0	0	0	113.6	I239 D274 K376	I239-D241 VanDerWaalsContact C-N 3.29Å; I239-D241 HydrophobicContact CD1-CB 4.13Å; I239-D241 HydrophobicContact CG1-CB 4.07Å; I239-D241 PolarHBondContact O-N 3.12Å; D241-D274 PolarHBondContact N-OD2 2.86Å; D241-K376 PolarHBondContact O-NZ 2.92Å
242	N	89	Confident	87.4	Confident	38 Å²	38	50 Å²	50	20%	0.203	26%	0.258	C	S	.	.	S	Bend	trans	-93.6	163.5	170.8	-62.3	-79.4	0	0	0	112.6	Q273 D274 K376	N242-Q273 HydrophobicContact CB-CB 4.2Å; N242-D274 WeakPolarHBondContact CB-OD1 3.3Å; N242-D274 PolarHBondContact N-OD1 2.79Å; N242-D274 PolarHBondContact N-OD2 2.85Å; N242-D274 PolarHBondContact ND2-OD1 3.36Å; N242-K376 WeakPolarHBondContact O-CD 3.43Å
243	I	89.7	Confident	88	Confident	82 Å²	82	50.9 Å²	50.9	42%	0.421	26%	0.263	S	S	.	.			trans	-113.5	151.2	176.2	64	169.3	0	0	0	107.9	I245 K376	I243-I245 HydrophobicContact CD1-CG1 4.4Å; I243-I245 HydrophobicContact CG1-CD1 4.36Å; I243-I245 HydrophobicContact CG1-CG1 3.93Å; I243-I245 WeakPolarHBondContact O-CG1 3.38Å; I243-I245 PolarHBondContact O-N 2.69Å; I243-K376 HydrophobicContact CB-CB 4.31Å; I243-K376 HydrophobicContact CG2-CB 3.86Å; I243-K376 HydrophobicContact CG2-CD 3.69Å; I243-K376 HydrophobicContact CG2-CG 4.01Å
244	P	90.9	Very high	88.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.282	C	S	.	.			trans	-62.9	125.6	170.2	-21.8	30.9	0	0	0	110.6	A270 D272 I281 A367 D369 G378	P244-A270 HydrophobicContact CB-CB 4.12Å; P244-D272 VanDerWaalsContact CD-OD2 3.23Å; P244-D272 WeakPolarHBondContact CD-OD2 3.41Å; P244-D272 WeakPolarHBondContact CG-OD2 3.38Å; P244-I281 HydrophobicContact CB-CD1 4.34Å; P244-I281 HydrophobicContact CB-CG1 4.37Å; P244-I281 HydrophobicContact CG-CG1 4.49Å; P244-A367 HydrophobicContact CB-CB 3.87Å; P244-D369 HydrophobicContact CG-CB 4.36Å; P244-G378 WeakPolarHBondContact O-CA 3.35Å
245	I	87.5	Confident	88.7	Confident	101 Å²	101	54.8 Å²	54.8	52%	0.518	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.3	-178.3	-64	164.8	0	0	0	110.5	I243 A270 Y271	I243-I245 HydrophobicContact CD1-CG1 4.4Å; I243-I245 HydrophobicContact CG1-CD1 4.36Å; I243-I245 HydrophobicContact CG1-CG1 3.93Å; I243-I245 WeakPolarHBondContact O-CG1 3.38Å; I243-I245 PolarHBondContact O-N 2.69Å; I245-A270 WeakPolarHBondContact O-CA 3.38Å; I245-Y271 PolarHBondContact N-O 2.91Å; I245-Y271 PolarHBondContact O-N 3.06Å
246	F	88.4	Confident	88.8	Confident	10 Å²	10	54 Å²	54	4%	0.044	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.8	164.4	-68.1	-83.5	0	0	0	110.2	P248 S249 P268 A270 Y283 L345 I365 A367 L380	F246-P248 CarbonylContact C-O 3.52Å; F246-P248 CarbonylContact O-C 3.49Å; F246-S249 PolarHBondContact O-N 2.8Å; F246-P268 HydrophobicContact CD1-CB 4.46Å; F246-P268 WeakPolarHBondContact CD1-O 3.36Å; F246-P268 WeakPolarHBondContact CE1-O 3.27Å; F246-A270 HydrophobicContact CD1-CB 3.91Å; F246-A270 HydrophobicContact CD2-CB 4.09Å; F246-A270 HydrophobicContact CE1-CB 3.76Å; F246-A270 HydrophobicContact CE2-CB 3.95Å; F246-A270 HydrophobicContact CG-CB 4.09Å; F246-A270 HydrophobicContact CZ-CB 3.8Å; F246-Y283 HydrophobicContact CE1-CD1 4.34Å; F246-Y283 AromaticContact CE1-CE1 3.78Å; F246-Y283 HydrophobicContact CE1-CE1 3.78Å; F246-Y283 AromaticContact CZ-CD1 3.85Å; F246-Y283 HydrophobicContact CZ-CD1 3.85Å; F246-Y283 AromaticContact CZ-CE1 3.61Å; F246-Y283 HydrophobicContact CZ-CE1 3.61Å; F246-L345 HydrophobicContact CE1-CD2 4.11Å; F246-I365 HydrophobicContact CZ-CG2 4.42Å; F246-A367 HydrophobicContact CD2-CB 4.45Å; F246-A367 HydrophobicContact CE2-CB 3.44Å; F246-A367 VanDerWaalsContact CE2-CB 3.44Å; F246-A367 HydrophobicContact CZ-CB 3.62Å; F246-L380 HydrophobicContact CB-CB 4.34Å; F246-L380 HydrophobicContact CB-CD1 4.36Å; F246-L380 HydrophobicContact CD1-CB 3.91Å; F246-L380 HydrophobicContact CD1-CD2 3.99Å; F246-L380 HydrophobicContact CD1-CG 4.37Å; F246-L380 HydrophobicContact CD2-CB 3.65Å; F246-L380 HydrophobicContact CE1-CB 3.98Å; F246-L380 HydrophobicContact CE1-CD2 3.94Å; F246-L380 HydrophobicContact CE2-CB 3.72Å; F246-L380 HydrophobicContact CG-CB 3.72Å; F246-L380 HydrophobicContact CG-CD1 4.47Å; F246-L380 HydrophobicContact CG-CG 4.49Å; F246-L380 HydrophobicContact CZ-CB 3.86Å; F246-L380 HydrophobicContact CZ-CD2 4.49Å
247	N	80.5	Confident	88.9	Confident	146 Å²	146	54.6 Å²	54.6	78%	0.781	29%	0.286	S	S	*	.	S	Bend	trans	-125.2	103.9	173.4	-168.7	9.2	0	0	0	110.5
248	P	90	Very high	88.9	Confident	58 Å²	58	55.9 Å²	55.9	38%	0.377	30%	0.299	S	S	.	.	S	Bend	cis	-78.6	160.4	1.9	34.4	-37.2	0	0	0	113.4	F246 N250 Y251	F246-P248 CarbonylContact C-O 3.52Å; F246-P248 CarbonylContact O-C 3.49Å; P248-N250 WeakPolarHBondContact CB-O 3.42Å; P248-N250 WeakPolarHBondContact CG-O 3.41Å; P248-Y251 HydrophobicContact CG-CD2 3.86Å
249	S	87.6	Confident	88.8	Confident	63 Å²	63	57.3 Å²	57.3	44%	0.441	31%	0.307	S	S	.	.	S	Bend	trans	-81.4	-14.7	174.8	57.2	0	0	0	0	114.1	F246 L380 T381	F246-S249 PolarHBondContact O-N 2.8Å; S249-L380 CarbonylContact O-C 3.56Å; S249-L380 WeakPolarHBondContact O-CA 3.38Å; S249-T381 PolarHBondContact O-N 3.39Å
250	N	92.6	Very high	88.6	Confident	108 Å²	108	62.7 Å²	62.7	58%	0.578	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.6	171.3	-58.7	-19.2	0	0	0	107.6	P248 T381	P248-N250 WeakPolarHBondContact CB-O 3.42Å; P248-N250 WeakPolarHBondContact CG-O 3.41Å; N250-T381 CarbonylContact C-O 3.46Å; N250-T381 WeakPolarHBondContact CA-O 3.42Å; N250-T381 PolarHBondContact OD1-OG1 2.8Å
251	Y	91.3	Very high	88.3	Confident	83 Å²	83	65.1 Å²	65.1	33%	0.325	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135	-176.6	-160.2	-114.4	0	0	0	109.9	P248 I253 L267 P268 T381 L382 F383	P248-Y251 HydrophobicContact CG-CD2 3.86Å; Y251-I253 HydrophobicContact CD1-CG2 3.77Å; Y251-I253 HydrophobicContact CE1-CG2 3.53Å; Y251-L267 HydrophobicContact CD1-CD2 4.11Å; Y251-L267 HydrophobicContact CE1-CD2 4.39Å; Y251-P268 HydrophobicContact CD1-CG 4.19Å; Y251-P268 HydrophobicContact CD2-CG 3.61Å; Y251-P268 HydrophobicContact CE1-CG 4.4Å; Y251-P268 HydrophobicContact CE2-CG 3.86Å; Y251-P268 HydrophobicContact CG-CG 3.79Å; Y251-T381 PolarHBondContact N-O 3.13Å; Y251-L382 HydrophobicContact CD1-CD1 3.94Å; Y251-L382 CarbonylContact O-C 3.6Å; Y251-L382 WeakPolarHBondContact O-CA 3.35Å; Y251-F383 PolarHBondContact O-N 2.84Å
252	K	92.6	Very high	87.9	Confident	113 Å²	113	64.5 Å²	64.5	49%	0.491	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.3	178.7	174.3	171.6	-174.9	178.6	0	109.2	F383 E385	K252-F383 CarbonylContact C-O 3.41Å; K252-F383 VanDerWaalsContact CA-O 3.25Å; K252-F383 WeakPolarHBondContact CA-O 3.28Å; K252-F383 HydrophobicContact CB-CD1 4.38Å; K252-F383 HydrophobicContact CD-CD1 3.66Å; K252-F383 HydrophobicContact CD-CE1 4.06Å; K252-F383 HydrophobicContact CG-CD1 3.76Å; K252-E385 WeakPolarHBondContact CE-OE2 3.5Å; K252-E385 IonicContact NZ-OE2 3.4Å; K252-E385 PolarHBondContact NZ-OE2 3.44Å
253	I	89.9	Confident	87.6	Confident	18 Å²	18	65.6 Å²	65.6	9%	0.092	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.5	170.7	62	175.9	0	0	0	109.6	Y251 I255 Y265 I347 L382 F383 I384 E385	Y251-I253 HydrophobicContact CD1-CG2 3.77Å; Y251-I253 HydrophobicContact CE1-CG2 3.53Å; I253-I255 HydrophobicContact CD1-CD1 3.87Å; I253-I255 HydrophobicContact CD1-CG1 4.1Å; I253-I255 HydrophobicContact CG1-CD1 4.5Å; I253-I255 HydrophobicContact CG1-CG1 4.35Å; I253-Y265 HydrophobicContact CD1-CG 4.23Å; I253-I347 HydrophobicContact CD1-CG2 4.14Å; I253-L382 HydrophobicContact CD1-CD1 4.16Å; I253-L382 HydrophobicContact CD1-CD2 4.35Å; I253-L382 HydrophobicContact CG1-CD1 4.02Å; I253-L382 HydrophobicContact CG2-CD1 4.29Å; I253-F383 PolarHBondContact N-O 3.43Å; I253-I384 HydrophobicContact CD1-CD1 4.04Å; I253-I384 HydrophobicContact CD1-CG1 3.98Å; I253-I384 HydrophobicContact CG1-CB 4.29Å; I253-I384 HydrophobicContact CG1-CD1 4.39Å; I253-I384 HydrophobicContact CG1-CG1 3.78Å; I253-I384 HydrophobicContact CG1-CG2 4.22Å; I253-I384 WeakPolarHBondContact O-CA 3.49Å; I253-E385 PolarHBondContact O-N 3.28Å
254	I	90	Very high	87.3	Confident	106 Å²	106	65.4 Å²	65.4	54%	0.544	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.4	173.1	-59.2	171.1	0	0	0	106	E385 A387	I254-E385 VanDerWaalsContact CA-O 3.29Å; I254-E385 WeakPolarHBondContact CA-O 3.1Å; I254-E385 HydrophobicContact CG1-CB 4.37Å; I254-A387 HydrophobicContact CG2-CB 3.65Å
255	I	90.1	Very high	87.1	Confident	6 Å²	6	67 Å²	67	3%	0.031	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.4	179.7	-64.1	-177.2	0	0	0	107.7	I253 D259 Y265 L353 I384 E385 I386 A387	I253-I255 HydrophobicContact CD1-CD1 3.87Å; I253-I255 HydrophobicContact CD1-CG1 4.1Å; I253-I255 HydrophobicContact CG1-CD1 4.5Å; I253-I255 HydrophobicContact CG1-CG1 4.35Å; I255-D259 HydrophobicContact CG2-CB 4.3Å; I255-Y265 HydrophobicContact CD1-CD2 3.81Å; I255-Y265 HydrophobicContact CD1-CE1 4.47Å; I255-Y265 HydrophobicContact CD1-CE2 3.6Å; I255-Y265 HydrophobicContact CD1-CG 4.38Å; I255-Y265 HydrophobicContact CG1-CD1 4.22Å; I255-Y265 HydrophobicContact CG1-CD2 4.21Å; I255-Y265 HydrophobicContact CG1-CE1 3.82Å; I255-Y265 HydrophobicContact CG1-CE2 3.84Å; I255-Y265 HydrophobicContact CG1-CG 4.42Å; I255-Y265 HydrophobicContact CG2-CE2 4.2Å; I255-Y265 WeakPolarHBondContact CG2-OH 3.36Å; I255-L353 HydrophobicContact CB-CD1 4.19Å; I255-L353 HydrophobicContact CG2-CD1 3.29Å; I255-I384 HydrophobicContact CB-CG2 4.18Å; I255-I384 HydrophobicContact CD1-CD1 4.14Å; I255-I384 HydrophobicContact CD1-CG2 3.58Å; I255-I384 HydrophobicContact CG1-CG2 3.79Å; I255-E385 PolarHBondContact N-O 2.99Å; I255-I386 HydrophobicContact CB-CD1 4.21Å; I255-I386 CarbonylContact O-C 3.47Å; I255-I386 WeakPolarHBondContact O-CA 3.42Å; I255-A387 PolarHBondContact O-N 3.25Å
256	S	88.4	Confident	87	Confident	27 Å²	27	69 Å²	69	19%	0.189	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.8	173.4	-177.5	0	0	0	0	109.3	S258 D259 I389	S256-S258 PolarHBondContact O-N 2.83Å; S256-S258 VanDerWaalsContact O-N 3.17Å; S256-S258 PolarHBondContact OG-N 2.87Å; S256-S258 PolarHBondContact OG-OG 2.81Å; S256-D259 PolarHBondContact N-OD2 3.45Å; S256-D259 WeakPolarHBondContact O-CB 3.22Å; S256-D259 PolarHBondContact O-N 2.83Å; S256-I389 WeakPolarHBondContact OG-CG2 3.14Å
257	E	88.6	Confident	86.8	Confident	13 Å²	13	68.8 Å²	68.8	6%	0.061	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.7	168.7	176.7	169.6	-153.3	0	0	113.4	D259 L353 D354 R355 I386 A387 I389	E257-D259 PolarHBondContact O-N 2.86Å; E257-L353 WeakPolarHBondContact CG-O 3.36Å; E257-D354 VanDerWaalsContact OE1-CA 3.25Å; E257-D354 WeakPolarHBondContact OE1-CA 3.31Å; E257-R355 PolarHBondContact OE1-N 3.17Å; E257-R355 WeakPolarHBondContact OE2-CB 3.37Å; E257-I386 HydrophobicContact CB-CG2 4.08Å; E257-A387 PolarHBondContact N-O 3.49Å; E257-I389 HydrophobicContact CB-CD1 3.95Å; E257-I389 HydrophobicContact CB-CG1 3.9Å; E257-I389 HydrophobicContact CG-CD1 3.83Å; E257-I389 HydrophobicContact CG-CG1 4.01Å; E257-I389 WeakPolarHBondContact OE2-CG1 3Å
258	S	87	Confident	87.1	Confident	74 Å²	74	62.7 Å²	62.7	52%	0.517	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.5	175.8	69	0	0	0	0	114.3	S256 K260	S256-S258 PolarHBondContact O-N 2.83Å; S256-S258 VanDerWaalsContact O-N 3.17Å; S256-S258 PolarHBondContact OG-N 2.87Å; S256-S258 PolarHBondContact OG-OG 2.81Å; S258-K260 PolarHBondContact O-N 2.81Å
259	D	86.9	Confident	86.8	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.214	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-67.4	123.1	179.4	-73.7	-34.8	0	0	0	109.7	I255 S256 E257 I263 Y265 L349	I255-D259 HydrophobicContact CG2-CB 4.3Å; S256-D259 PolarHBondContact N-OD2 3.45Å; S256-D259 WeakPolarHBondContact O-CB 3.22Å; S256-D259 PolarHBondContact O-N 2.83Å; E257-D259 PolarHBondContact O-N 2.86Å; D259-I263 HydrophobicContact CB-CD1 3.65Å; D259-Y265 VanDerWaalsContact CB-OH 3.29Å; D259-Y265 WeakPolarHBondContact CB-OH 3.34Å; D259-Y265 PolarHBondContact OD2-OH 2.79Å; D259-L349 HydrophobicContact CB-CD2 4.13Å; D259-L349 WeakPolarHBondContact O-CD2 3.26Å
260	K	82.9	Confident	86.7	Confident	159 Å²	159	60.6 Å²	60.6	69%	0.691	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-74.3	150.1	-177.2	-65.5	-179.8	-177.4	177.7	0	111.4	S258 G262 I263	S258-K260 PolarHBondContact O-N 2.81Å; K260-G262 PolarHBondContact O-N 2.84Å; K260-I263 WeakPolarHBondContact O-CG1 3.34Å; K260-I263 PolarHBondContact O-N 3.17Å
261	P	82.7	Confident	86.3	Confident	71 Å²	71	61.9 Å²	61.9	46%	0.461	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	131.1	165.3	-29.3	35.7	0	0	0	112.1	I350	P261-I350 WeakPolarHBondContact CB-O 3.45Å
262	G	78.9	Confident	86	Confident	37 Å²	37	58.3 Å²	58.3	38%	0.381	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.7	-11.9	179.9	0	0	0	0	0	114.7	K260 N264 Q348 L349	K260-G262 PolarHBondContact O-N 2.84Å; G262-N264 PolarHBondContact O-OD1 3.12Å; G262-Q348 PolarHBondContact O-NE2 3.17Å; G262-L349 WeakPolarHBondContact CA-O 3.39Å; G262-L349 PolarHBondContact N-O 2.91Å
263	I	83.4	Confident	85.7	Confident	62 Å²	62	56.8 Å²	56.8	32%	0.318	29%	0.29	S	S	.	.			trans	-68.3	135.8	178.2	-69.2	170.2	0	0	0	110.6	D259 K260 Y265 Q348 L349	D259-I263 HydrophobicContact CB-CD1 3.65Å; K260-I263 WeakPolarHBondContact O-CG1 3.34Å; K260-I263 PolarHBondContact O-N 3.17Å; I263-Y265 HydrophobicContact CB-CE2 4.49Å; I263-Y265 HydrophobicContact CG2-CD2 4.45Å; I263-Y265 HydrophobicContact CG2-CE1 4.32Å; I263-Y265 HydrophobicContact CG2-CE2 3.74Å; I263-Q348 WeakPolarHBondContact O-CA 3.46Å; I263-L349 PolarHBondContact O-N 2.9Å
264	N	83.1	Confident	85.7	Confident	77 Å²	77	56 Å²	56	41%	0.412	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.9	-178.7	-65.7	-14.5	0	0	0	110.1	G262 I347 Q348	G262-N264 PolarHBondContact O-OD1 3.12Å; N264-I347 CarbonylContact C-O 3.54Å; N264-I347 WeakPolarHBondContact CA-O 3.28Å; N264-Q348 WeakPolarHBondContact OD1-CB 3.41Å; N264-Q348 VanDerWaalsContact OD1-CD 3.27Å; N264-Q348 WeakPolarHBondContact OD1-CG 3.3Å; N264-Q348 PolarHBondContact OD1-NE2 3.34Å
265	Y	86.4	Confident	85.4	Confident	35 Å²	35	51.5 Å²	51.5	14%	0.137	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129	168.6	-49	-99.5	0	0	0	109.2	I253 I255 D259 I263 Y346 I347	I253-Y265 HydrophobicContact CD1-CG 4.23Å; I255-Y265 HydrophobicContact CD1-CD2 3.81Å; I255-Y265 HydrophobicContact CD1-CE1 4.47Å; I255-Y265 HydrophobicContact CD1-CE2 3.6Å; I255-Y265 HydrophobicContact CD1-CG 4.38Å; I255-Y265 HydrophobicContact CG1-CD1 4.22Å; I255-Y265 HydrophobicContact CG1-CD2 4.21Å; I255-Y265 HydrophobicContact CG1-CE1 3.82Å; I255-Y265 HydrophobicContact CG1-CE2 3.84Å; I255-Y265 HydrophobicContact CG1-CG 4.42Å; I255-Y265 HydrophobicContact CG2-CE2 4.2Å; I255-Y265 WeakPolarHBondContact CG2-OH 3.36Å; D259-Y265 VanDerWaalsContact CB-OH 3.29Å; D259-Y265 WeakPolarHBondContact CB-OH 3.34Å; D259-Y265 PolarHBondContact OD2-OH 2.79Å; I263-Y265 HydrophobicContact CB-CE2 4.49Å; I263-Y265 HydrophobicContact CG2-CD2 4.45Å; I263-Y265 HydrophobicContact CG2-CE1 4.32Å; I263-Y265 HydrophobicContact CG2-CE2 3.74Å; Y265-Y346 CarbonylContact O-C 3.56Å; Y265-Y346 WeakPolarHBondContact O-CA 3.31Å; Y265-I347 HydrophobicContact CD2-CG2 4.31Å; Y265-I347 HydrophobicContact CG-CG2 4.43Å; Y265-I347 PolarHBondContact N-O 2.91Å; Y265-I347 VanDerWaalsContact O-CG2 3.24Å; Y265-I347 WeakPolarHBondContact O-CG2 3.34Å; Y265-I347 PolarHBondContact O-N 3.21Å
266	R	84.8	Confident	85.1	Confident	143 Å²	143	51.9 Å²	51.9	54%	0.54	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.4	179.8	-174.1	176.1	179.2	-177.8	-2.4	110
267	L	85.9	Confident	84.8	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	158.9	176.1	-60.5	-178.1	0	0	0	111	Y251 I269 L345 I347 I365 L382	Y251-L267 HydrophobicContact CD1-CD2 4.11Å; Y251-L267 HydrophobicContact CE1-CD2 4.39Å; L267-I269 PolarHBondContact O-N 2.81Å; L267-L345 HydrophobicContact CB-CB 4.14Å; L267-L345 HydrophobicContact CB-CD2 3.88Å; L267-L345 HydrophobicContact CB-CG 4.03Å; L267-L345 HydrophobicContact CD1-CD2 4.19Å; L267-L345 HydrophobicContact CD1-CG 4.31Å; L267-L345 PolarHBondContact N-O 3.19Å; L267-I347 HydrophobicContact CD1-CB 4.03Å; L267-I347 HydrophobicContact CD1-CG2 4.01Å; L267-I347 HydrophobicContact CD2-CG2 3.79Å; L267-I347 HydrophobicContact CG-CB 4.38Å; L267-I347 HydrophobicContact CG-CG2 3.85Å; L267-I365 HydrophobicContact CD1-CD1 3.48Å; L267-I365 VanDerWaalsContact CD1-CD1 3.48Å; L267-L382 HydrophobicContact CD1-CD2 4.14Å; L267-L382 HydrophobicContact CD2-CD1 3.76Å; L267-L382 HydrophobicContact CD2-CD2 3.84Å; L267-L382 HydrophobicContact CD2-CG 4.46Å
268	P	85.2	Confident	84.6	Confident	19 Å²	19	55.5 Å²	55.5	12%	0.123	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-57.6	132.1	165.8	-19.5	31.6	0	0	0	109.8	F246 Y251 L345	F246-P268 HydrophobicContact CD1-CB 4.46Å; F246-P268 WeakPolarHBondContact CD1-O 3.36Å; F246-P268 WeakPolarHBondContact CE1-O 3.27Å; Y251-P268 HydrophobicContact CD1-CG 4.19Å; Y251-P268 HydrophobicContact CD2-CG 3.61Å; Y251-P268 HydrophobicContact CE1-CG 4.4Å; Y251-P268 HydrophobicContact CE2-CG 3.86Å; Y251-P268 HydrophobicContact CG-CG 3.79Å; P268-L345 WeakPolarHBondContact O-CD2 3.38Å
269	I	84.2	Confident	84.4	Confident	71 Å²	71	53.5 Å²	53.5	36%	0.364	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-79.7	147.6	167.8	54.9	170.5	0	0	0	108.8	L267 L345	L267-I269 PolarHBondContact O-N 2.81Å; I269-L345 HydrophobicContact CG2-CB 3.86Å
270	A	85.6	Confident	84.2	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	145.5	166.1	0	0	0	0	0	108.9	P244 I245 F246 I281 Y283 A367	P244-A270 HydrophobicContact CB-CB 4.12Å; I245-A270 WeakPolarHBondContact O-CA 3.38Å; F246-A270 HydrophobicContact CD1-CB 3.91Å; F246-A270 HydrophobicContact CD2-CB 4.09Å; F246-A270 HydrophobicContact CE1-CB 3.76Å; F246-A270 HydrophobicContact CE2-CB 3.95Å; F246-A270 HydrophobicContact CG-CB 4.09Å; F246-A270 HydrophobicContact CZ-CB 3.8Å; A270-I281 HydrophobicContact CB-CD1 3.87Å; A270-I281 HydrophobicContact CB-CG2 4.44Å; A270-I281 WeakPolarHBondContact O-CD1 3.37Å; A270-Y283 HydrophobicContact CB-CE1 3.9Å; A270-Y283 PolarHBondContact N-OH 3.23Å; A270-Y283 PolarHBondContact O-OH 2.82Å; A270-A367 HydrophobicContact CB-CB 3.59Å
271	Y	84.4	Confident	84.2	Confident	136 Å²	136	49 Å²	49	53%	0.533	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.6	173	-178.8	-106	0	0	0	108.7	I245 Q273	I245-Y271 PolarHBondContact N-O 2.91Å; I245-Y271 PolarHBondContact O-N 3.06Å; Y271-Q273 HydrophobicContact CD1-CG 4.03Å; Y271-Q273 HydrophobicContact CE1-CB 4.45Å; Y271-Q273 HydrophobicContact CE1-CG 3.34Å
272	D	85.9	Confident	84.1	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.043	25%	0.254	C	S	.	.			trans	-120.5	133.4	174	-158.9	-41.6	0	0	0	107.8	P244 D274 I281	P244-D272 VanDerWaalsContact CD-OD2 3.23Å; P244-D272 WeakPolarHBondContact CD-OD2 3.41Å; P244-D272 WeakPolarHBondContact CG-OD2 3.38Å; D272-D274 VanDerWaalsContact C-N 3.35Å; D272-D274 PolarHBondContact OD1-N 3.49Å; D272-I281 HydrophobicContact CB-CD1 4.05Å; D272-I281 HydrophobicContact CB-CG1 4.23Å
273	Q	85.5	Confident	84.3	Confident	80 Å²	80	49.5 Å²	49.5	37%	0.374	24%	0.24	S	C	.	.			trans	-82.6	-15.5	-172.7	-82.4	-174.7	-12.1	0	0	113.3	R122 E123 N242 Y271	R122-Q273 PolarHBondContact NH2-O 3.09Å; E123-Q273 HydrophobicContact CG-CB 4.11Å; N242-Q273 HydrophobicContact CB-CB 4.2Å; Y271-Q273 HydrophobicContact CD1-CG 4.03Å; Y271-Q273 HydrophobicContact CE1-CB 4.45Å; Y271-Q273 HydrophobicContact CE1-CG 3.34Å
274	D	89.1	Confident	84.2	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-69.2	-174.2	-176.9	-63.9	-7.5	0	0	0	112.2	D238 N240 D241 N242 D272 N278 S279	D238-D274 WeakPolarHBondContact OD1-CA 2.86Å; N240-D274 VanDerWaalsContact CA-OD2 3.29Å; N240-D274 WeakPolarHBondContact CA-OD2 3.29Å; N240-D274 PolarHBondContact OD1-OD2 2.94Å; D241-D274 PolarHBondContact N-OD2 2.86Å; N242-D274 WeakPolarHBondContact CB-OD1 3.3Å; N242-D274 PolarHBondContact N-OD1 2.79Å; N242-D274 PolarHBondContact N-OD2 2.85Å; N242-D274 PolarHBondContact ND2-OD1 3.36Å; D272-D274 VanDerWaalsContact C-N 3.35Å; D272-D274 PolarHBondContact OD1-N 3.49Å; D274-N278 HydrophobicContact CB-CB 3.6Å; D274-S279 VanDerWaalsContact C-CB 3.41Å; D274-S279 WeakPolarHBondContact O-CB 3.27Å; D274-S279 PolarHBondContact O-OG 3.16Å
275	L	84.6	Confident	84	Confident	10 Å²	10	47 Å²	47	5%	0.052	23%	0.226	C	C	.	.			trans	-123.6	159	178.4	-58.5	176.8	0	0	0	113.3	C168 D170 C175 D238 I277 N278 S279	C168-L275 HydrophobicContact CB-CD1 4.48Å; D170-L275 HydrophobicContact CB-CD2 4.48Å; C175-L275 WeakPolarHBondContact SG-CD1 3.43Å; D238-L275 HydrophobicContact CB-CB 3.82Å; D238-L275 HydrophobicContact CB-CD1 4.27Å; D238-L275 HydrophobicContact CB-CG 4.26Å; D238-L275 PolarHBondContact OD1-N 3.13Å; D238-L275 PolarHBondContact OD2-N 2.83Å; L275-I277 PolarHBondContact O-N 2.96Å; L275-N278 WeakPolarHBondContact O-CB 3.46Å; L275-N278 PolarHBondContact O-N 3.27Å; L275-N278 VanDerWaalsContact O-N 3.16Å; L275-S279 WeakPolarHBondContact CA-OG 3.36Å
276	G	83.3	Confident	83.7	Confident	14 Å²	14	46.4 Å²	46.4	14%	0.144	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-126.6	174.5	0	0	0	0	0	111.9	D170 N278 L280	D170-G276 WeakPolarHBondContact O-CA 3.33Å; D170-G276 PolarHBondContact O-N 3.15Å; G276-N278 VanDerWaalsContact C-N 3.26Å; G276-N278 PolarHBondContact O-N 2.77Å; G276-L280 WeakPolarHBondContact O-CB 3.45Å; G276-L280 PolarHBondContact O-N 3.31Å
277	I	81.8	Confident	83.7	Confident	90 Å²	90	42.1 Å²	42.1	46%	0.462	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-25	-178.3	-66.5	171.7	0	0	0	111.5	L275 L280 Q370	L275-I277 PolarHBondContact O-N 2.96Å; I277-L280 PolarHBondContact O-N 3.35Å; I277-Q370 HydrophobicContact CG2-CB 3.7Å; I277-Q370 WeakPolarHBondContact CG2-O 3.28Å; I277-Q370 CarbonylContact O-C 3.56Å; I277-Q370 PolarHBondContact O-N 2.78Å
278	N	85	Confident	83.6	Confident	26 Å²	26	42.1 Å²	42.1	14%	0.139	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-33.7	179.1	-62.4	-25.1	0	0	0	111.8	D238 N240 D274 L275 G276 D369 S371	D238-N278 PolarHBondContact OD2-ND2 2.85Å; N240-N278 HydrophobicContact CB-CB 4.13Å; N240-N278 PolarHBondContact N-ND2 3.49Å; N240-N278 WeakPolarHBondContact OD1-CA 3.34Å; N240-N278 VanDerWaalsContact OD1-CB 3.23Å; N240-N278 WeakPolarHBondContact OD1-CB 3Å; N240-N278 PolarHBondContact OD1-O 3.05Å; D274-N278 HydrophobicContact CB-CB 3.6Å; L275-N278 WeakPolarHBondContact O-CB 3.46Å; L275-N278 PolarHBondContact O-N 3.27Å; L275-N278 VanDerWaalsContact O-N 3.16Å; G276-N278 VanDerWaalsContact C-N 3.26Å; G276-N278 PolarHBondContact O-N 2.77Å; N278-D369 WeakPolarHBondContact O-CB 3.27Å; N278-S371 PolarHBondContact OD1-OG 2.93Å
279	S	83.4	Confident	83.7	Confident	33 Å²	33	43.7 Å²	43.7	23%	0.231	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.4	171.9	55.4	0	0	0	0	115.6	D274 L275 I281	D274-S279 VanDerWaalsContact C-CB 3.41Å; D274-S279 WeakPolarHBondContact O-CB 3.27Å; D274-S279 PolarHBondContact O-OG 3.16Å; L275-S279 WeakPolarHBondContact CA-OG 3.36Å; S279-I281 PolarHBondContact O-N 3.43Å
280	L	82.5	Confident	83.8	Confident	82 Å²	82	40.3 Å²	40.3	43%	0.429	20%	0.2	S	C	.	.			trans	-76.7	109.1	176.5	-173.3	63.7	0	0	0	110	G276 I277 Q370	G276-L280 WeakPolarHBondContact O-CB 3.45Å; G276-L280 PolarHBondContact O-N 3.31Å; I277-L280 PolarHBondContact O-N 3.35Å; L280-Q370 HydrophobicContact CB-CB 4.46Å; L280-Q370 HydrophobicContact CD2-CG 4.49Å; L280-Q370 VanDerWaalsContact CD2-OE1 3.29Å; L280-Q370 HydrophobicContact CG-CG 4.43Å; L280-Q370 WeakPolarHBondContact O-CG 2.93Å; L280-Q370 PolarHBondContact O-N 2.82Å; L280-Q370 VanDerWaalsContact O-N 3.09Å
281	I	82	Confident	84	Confident	21 Å²	21	40.8 Å²	40.8	11%	0.108	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133	-174	-61.2	164.2	0	0	0	111	P244 A270 D272 S279 Y283 A367	P244-I281 HydrophobicContact CB-CD1 4.34Å; P244-I281 HydrophobicContact CB-CG1 4.37Å; P244-I281 HydrophobicContact CG-CG1 4.49Å; A270-I281 HydrophobicContact CB-CD1 3.87Å; A270-I281 HydrophobicContact CB-CG2 4.44Å; A270-I281 WeakPolarHBondContact O-CD1 3.37Å; D272-I281 HydrophobicContact CB-CD1 4.05Å; D272-I281 HydrophobicContact CB-CG1 4.23Å; S279-I281 PolarHBondContact O-N 3.43Å; I281-Y283 HydrophobicContact CB-CE2 4.41Å; I281-Y283 HydrophobicContact CG2-CD1 4.12Å; I281-Y283 HydrophobicContact CG2-CD2 4.25Å; I281-Y283 HydrophobicContact CG2-CE1 3.68Å; I281-Y283 HydrophobicContact CG2-CE2 3.81Å; I281-Y283 HydrophobicContact CG2-CG 4.39Å; I281-A367 HydrophobicContact CG2-CB 3.68Å
282	H	82.3	Confident	84	Confident	100 Å²	100	35.7 Å²	35.7	46%	0.463	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131	165.7	-176.1	69.3	0	0	0	110.3	M368 Q370	H282-M368 PolarHBondContact N-O 3.18Å; H282-M368 PolarHBondContact O-N 3.48Å; H282-Q370 HydrophobicContact CB-CG 4.5Å
283	Y	82.7	Confident	83.7	Confident	20 Å²	20	38.7 Å²	38.7	8%	0.078	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.9	-180	-59.4	-81.5	0	0	0	111.2	F246 A270 I281 L345 I365 I366 A367	F246-Y283 HydrophobicContact CE1-CD1 4.34Å; F246-Y283 AromaticContact CE1-CE1 3.78Å; F246-Y283 HydrophobicContact CE1-CE1 3.78Å; F246-Y283 AromaticContact CZ-CD1 3.85Å; F246-Y283 HydrophobicContact CZ-CD1 3.85Å; F246-Y283 AromaticContact CZ-CE1 3.61Å; F246-Y283 HydrophobicContact CZ-CE1 3.61Å; A270-Y283 HydrophobicContact CB-CE1 3.9Å; A270-Y283 PolarHBondContact N-OH 3.23Å; A270-Y283 PolarHBondContact O-OH 2.82Å; I281-Y283 HydrophobicContact CB-CE2 4.41Å; I281-Y283 HydrophobicContact CG2-CD1 4.12Å; I281-Y283 HydrophobicContact CG2-CD2 4.25Å; I281-Y283 HydrophobicContact CG2-CE1 3.68Å; I281-Y283 HydrophobicContact CG2-CE2 3.81Å; I281-Y283 HydrophobicContact CG2-CG 4.39Å; Y283-L345 HydrophobicContact CD1-CD1 4Å; Y283-L345 HydrophobicContact CD1-CD2 4.03Å; Y283-L345 HydrophobicContact CD2-CD1 3.67Å; Y283-L345 HydrophobicContact CE1-CD1 4.36Å; Y283-L345 HydrophobicContact CE1-CD2 4.06Å; Y283-L345 HydrophobicContact CE2-CD1 4.08Å; Y283-L345 HydrophobicContact CG-CD1 3.62Å; Y283-L345 HydrophobicContact CG-CD2 4.48Å; Y283-I365 HydrophobicContact CD1-CG2 4.49Å; Y283-I366 WeakPolarHBondContact CA-O 3.4Å; Y283-A367 HydrophobicContact CD1-CB 3.94Å; Y283-A367 HydrophobicContact CE1-CB 3.85Å
284	N	80.3	Confident	83.4	Confident	68 Å²	68	41.6 Å²	41.6	36%	0.364	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.6	172.5	-161.6	1.6	0	0	0	110.7	I365 I366	N284-I365 CarbonylContact O-C 3.54Å; N284-I365 WeakPolarHBondContact O-CA 3.19Å; N284-I366 HydrophobicContact CB-CG2 3.98Å; N284-I366 PolarHBondContact N-O 2.87Å; N284-I366 WeakPolarHBondContact O-CG2 3.48Å; N284-I366 PolarHBondContact O-N 2.89Å
285	I	79.1	Confident	83.1	Confident	17 Å²	17	47.4 Å²	47.4	9%	0.087	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.1	174	-60.7	174.1	0	0	0	108.4	I288 F301 I303 I320 I322 I363	I285-I288 HydrophobicContact CD1-CD1 4.22Å; I285-I288 HydrophobicContact CG2-CD1 4.11Å; I285-I288 HydrophobicContact CG2-CG1 3.68Å; I285-F301 HydrophobicContact CB-CE1 4.28Å; I285-F301 HydrophobicContact CG2-CD1 4Å; I285-F301 HydrophobicContact CG2-CE1 4.12Å; I285-I303 WeakPolarHBondContact O-CD1 3.27Å; I285-I320 HydrophobicContact CD1-CB 4.14Å; I285-I320 HydrophobicContact CD1-CG2 3.93Å; I285-I322 HydrophobicContact CD1-CD1 4.13Å; I285-I322 HydrophobicContact CD1-CG1 4.14Å; I285-I322 HydrophobicContact CG1-CD1 3.42Å; I285-I322 VanDerWaalsContact CG1-CD1 3.42Å; I285-I322 HydrophobicContact CG1-CG1 3.98Å; I285-I363 HydrophobicContact CG2-CG2 3.95Å
286	T	80.8	Confident	82.9	Confident	23 Å²	23	52.2 Å²	52.2	14%	0.141	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-49.4	175.4	57.3	0	0	0	0	111.7	S302 I303 Q364 I366	T286-S302 WeakPolarHBondContact O-CA 3.38Å; T286-I303 PolarHBondContact O-N 2.92Å; T286-Q364 PolarHBondContact N-O 2.8Å; T286-Q364 WeakPolarHBondContact OG1-CB 3.49Å; T286-Q364 WeakPolarHBondContact OG1-CG 3.38Å; T286-Q364 PolarHBondContact OG1-O 2.8Å; T286-Q364 PolarHBondContact OG1-OE1 3.14Å; T286-I366 HydrophobicContact CG2-CB 3.61Å; T286-I366 HydrophobicContact CG2-CD1 4.35Å; T286-I366 HydrophobicContact CG2-CG2 3.61Å
287	F	83.9	Confident	83	Confident	53 Å²	53	56.2 Å²	56.2	23%	0.232	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	161.3	175.7	67	-102.7	0	0	0	112.3	H289 F301 I363 Q364	F287-H289 AromaticContact CD2-CD2 3.8Å; F287-H289 AromaticContact CD2-CE1 3.65Å; F287-H289 AromaticContact CD2-CG 3.92Å; F287-H289 AromaticContact CD2-ND1 3.82Å; F287-H289 AromaticContact CD2-NE2 3.65Å; F287-H289 AromaticContact CE2-CE1 3.84Å; F287-H289 AromaticContact CE2-ND1 3.78Å; F287-F301 CarbonylContact C-O 3.59Å; F287-F301 WeakPolarHBondContact CA-O 3.4Å; F287-F301 WeakPolarHBondContact CB-O 3.5Å; F287-I363 WeakPolarHBondContact O-CA 3.43Å; F287-Q364 HydrophobicContact CD1-CB 3.94Å; F287-Q364 HydrophobicContact CE1-CB 3.51Å; F287-Q364 HydrophobicContact CE1-CG 4.19Å; F287-Q364 HydrophobicContact CE2-CB 4.12Å; F287-Q364 HydrophobicContact CG-CB 4.44Å; F287-Q364 HydrophobicContact CZ-CB 3.59Å; F287-Q364 PolarHBondContact O-N 3.37Å; F287-Q364 VanDerWaalsContact O-N 3.09Å
288	I	84.1	Confident	82.9	Confident	5 Å²	5	55 Å²	55	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	118.2	173.9	-53.6	-179.8	0	0	0	107.8	I285 L300 F301 F319 I320 I363	I285-I288 HydrophobicContact CD1-CD1 4.22Å; I285-I288 HydrophobicContact CG2-CD1 4.11Å; I285-I288 HydrophobicContact CG2-CG1 3.68Å; I288-L300 HydrophobicContact CB-CB 4.37Å; I288-L300 HydrophobicContact CG2-CB 4.23Å; I288-L300 HydrophobicContact CG2-CD1 3.94Å; I288-L300 PolarHBondContact O-N 3.15Å; I288-F301 HydrophobicContact CB-CB 4.09Å; I288-F301 HydrophobicContact CD1-CB 4.15Å; I288-F301 HydrophobicContact CG1-CB 4.07Å; I288-F301 HydrophobicContact CG1-CD1 4.3Å; I288-F301 PolarHBondContact N-O 2.97Å; I288-F301 PolarHBondContact O-N 3.11Å; I288-F319 HydrophobicContact CD1-CB 3.63Å; I288-F319 HydrophobicContact CG2-CB 4.17Å; I288-F319 HydrophobicContact CG2-CD2 4.35Å; I288-F319 HydrophobicContact CG2-CG 4.24Å; I288-I320 HydrophobicContact CD1-CD1 4.42Å; I288-I363 HydrophobicContact CB-CG1 4.29Å; I288-I363 HydrophobicContact CG1-CG1 4.02Å; I288-I363 HydrophobicContact CG1-CG2 4.29Å; I288-I363 HydrophobicContact CG2-CG1 3.89Å
289	H	88.1	Confident	82.7	Confident	53 Å²	53	59 Å²	59	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.1	172.3	-60.3	163.3	0	0	0	109.8	F287 I298 E299 Y361 Y362	F287-H289 AromaticContact CD2-CD2 3.8Å; F287-H289 AromaticContact CD2-CE1 3.65Å; F287-H289 AromaticContact CD2-CG 3.92Å; F287-H289 AromaticContact CD2-ND1 3.82Å; F287-H289 AromaticContact CD2-NE2 3.65Å; F287-H289 AromaticContact CE2-CE1 3.84Å; F287-H289 AromaticContact CE2-ND1 3.78Å; H289-I298 CarbonylContact C-O 3.41Å; H289-I298 VanDerWaalsContact CA-O 3.31Å; H289-I298 WeakPolarHBondContact CA-O 3.37Å; H289-E299 IonicContact NE2-OE1 3.21Å; H289-Y361 CarbonylContact O-C 3.59Å; H289-Y361 VanDerWaalsContact O-CA 3.26Å; H289-Y361 WeakPolarHBondContact O-CA 3.43Å; H289-Y362 PolarHBondContact N-O 3.44Å; H289-Y362 PolarHBondContact O-N 2.9Å
290	A	86.5	Confident	82.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	151	169.2	0	0	0	0	0	110.5	T297 I298 L300 Y358 Q360 Y361	A290-T297 CarbonylContact O-C 3.58Å; A290-T297 WeakPolarHBondContact O-CA 3.39Å; A290-I298 PolarHBondContact N-O 2.94Å; A290-I298 PolarHBondContact O-N 3.37Å; A290-L300 HydrophobicContact CB-CD1 3.42Å; A290-L300 VanDerWaalsContact CB-CD1 3.42Å; A290-L300 HydrophobicContact CB-CG 4.09Å; A290-Y358 HydrophobicContact CB-CD1 3.74Å; A290-Y358 HydrophobicContact CB-CD2 4.34Å; A290-Y358 HydrophobicContact CB-CE1 4.26Å; A290-Y358 HydrophobicContact CB-CG 3.8Å; A290-Q360 CarbonylContact C-O 3.44Å; A290-Q360 WeakPolarHBondContact CA-O 3.19Å; A290-Y361 HydrophobicContact CB-CD1 3.73Å; A290-Y361 HydrophobicContact CB-CE1 3.54Å
291	I	88.2	Confident	81.8	Confident	15 Å²	15	58.3 Å²	58.3	8%	0.077	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.3	172.6	-50.2	-164.1	0	0	0	108.2	H296 T297 Y358 H359 Q360 Y362	I291-H296 WeakPolarHBondContact CA-O 3.48Å; I291-T297 HydrophobicContact CD1-CG2 3.69Å; I291-T297 HydrophobicContact CG1-CG2 3.78Å; I291-Y358 CarbonylContact O-C 3.54Å; I291-Y358 WeakPolarHBondContact O-CA 3.18Å; I291-H359 PolarHBondContact O-N 3.35Å; I291-H359 PolarHBondContact O-ND1 3.28Å; I291-Q360 HydrophobicContact CB-CB 4.13Å; I291-Q360 HydrophobicContact CG1-CB 4.39Å; I291-Q360 PolarHBondContact N-O 2.84Å; I291-Y362 HydrophobicContact CD1-CD2 3.99Å; I291-Y362 HydrophobicContact CD1-CE2 3.44Å; I291-Y362 VanDerWaalsContact CD1-CE2 3.44Å; I291-Y362 HydrophobicContact CG1-CD2 4.29Å; I291-Y362 HydrophobicContact CG1-CE2 4.17Å
292	N	85.2	Confident	81	Confident	29 Å²	29	58.5 Å²	58.5	16%	0.155	29%	0.294	C	S	.	.			trans	-83.1	172.5	174	72.9	0.5	0	0	0	111.5	Q294 D295 H296 L357 Y358 H359	N292-Q294 PolarHBondContact O-N 3.23Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.32Å; N292-Q294 PolarHBondContact OD1-N 2.84Å; N292-D295 PolarHBondContact O-N 2.98Å; N292-D295 PolarHBondContact OD1-N 2.78Å; N292-H296 PolarHBondContact N-O 2.98Å; N292-H296 WeakPolarHBondContact OD1-CA 3.25Å; N292-H296 WeakPolarHBondContact OD1-CB 3.11Å; N292-H296 PolarHBondContact OD1-N 2.88Å; N292-H296 PolarHBondContact OD1-O 2.87Å; N292-L357 VanDerWaalsContact CA-O 3.26Å; N292-L357 WeakPolarHBondContact CA-O 3.25Å; N292-L357 WeakPolarHBondContact CB-O 3.46Å; N292-Y358 HydrophobicContact CB-CD1 3.85Å; N292-Y358 HydrophobicContact CB-CE1 4.04Å; N292-H359 PolarHBondContact O-CE1 3.46Å; N292-H359 PolarHBondContact O-ND1 2.71Å
293	N	79.5	Confident	80	Confident	71 Å²	71	57.2 Å²	57.2	38%	0.38	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-1.6	179.7	-67.2	-12.6	0	0	0	114.9	R355 E356 H359	N293-R355 PolarHBondContact OD1-O 2.85Å; N293-E356 WeakPolarHBondContact ND2-CA 3.06Å; N293-E356 PolarHBondContact ND2-O 3.34Å; N293-H359 WeakPolarHBondContact OD1-CB 3.41Å; N293-H359 PolarHBondContact OD1-ND1 3.38Å
294	Q	80.2	Confident	78.6	Confident	141 Å²	141	63 Å²	63	66%	0.659	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	14.2	173.6	-62.7	179.3	-19.7	0	0	112.7	N292 H296	N292-Q294 PolarHBondContact O-N 3.23Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.32Å; N292-Q294 PolarHBondContact OD1-N 2.84Å; Q294-H296 PolarHBondContact O-N 3.23Å
295	D	80.8	Confident	76.8	Confident	125 Å²	125	64.6 Å²	64.6	67%	0.668	33%	0.331	S	S	*	.			trans	58.7	22.2	-174.6	-66.2	-35.8	0	0	0	114.2	N292	N292-D295 PolarHBondContact O-N 2.98Å; N292-D295 PolarHBondContact OD1-N 2.78Å
296	H	82.3	Confident	75.1	Confident	110 Å²	110	69.7 Å²	69.7	51%	0.509	36%	0.363	S	S	.	.			trans	-85.8	117.8	173.3	-66.9	-30	0	0	0	110.4	I291 N292 Q294	I291-H296 WeakPolarHBondContact CA-O 3.48Å; N292-H296 PolarHBondContact N-O 2.98Å; N292-H296 WeakPolarHBondContact OD1-CA 3.25Å; N292-H296 WeakPolarHBondContact OD1-CB 3.11Å; N292-H296 PolarHBondContact OD1-N 2.88Å; N292-H296 PolarHBondContact OD1-O 2.87Å; Q294-H296 PolarHBondContact O-N 3.23Å
297	T	84.2	Confident	73.1	Confident	98 Å²	98	74.9 Å²	74.9	60%	0.601	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.4	174.9	51.4	0	0	0	0	110.1	A290 I291	A290-T297 CarbonylContact O-C 3.58Å; A290-T297 WeakPolarHBondContact O-CA 3.39Å; I291-T297 HydrophobicContact CD1-CG2 3.69Å; I291-T297 HydrophobicContact CG1-CG2 3.78Å
298	I	79.9	Confident	70.9	Confident	65 Å²	65	77.3 Å²	77.3	33%	0.333	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.5	176.2	-59.6	-174.7	0	0	0	108.4	H289 A290 L300 Y358	H289-I298 CarbonylContact C-O 3.41Å; H289-I298 VanDerWaalsContact CA-O 3.31Å; H289-I298 WeakPolarHBondContact CA-O 3.37Å; A290-I298 PolarHBondContact N-O 2.94Å; A290-I298 PolarHBondContact O-N 3.37Å; I298-L300 HydrophobicContact CG2-CD2 4.27Å; I298-L300 PolarHBondContact O-N 3.38Å; I298-Y358 HydrophobicContact CD1-CE1 3.81Å
299	E	81	Confident	68.6	Low	110 Å²	110	82.4 Å²	82.4	51%	0.514	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	107.9	173.4	-176.8	175	-155.5	0	0	109.4	H289 S302	H289-E299 IonicContact NE2-OE1 3.21Å; E299-S302 WeakPolarHBondContact OE1-CB 3.39Å; E299-S302 PolarHBondContact OE1-OG 3.2Å
300	L	77.5	Confident	66.2	Low	38 Å²	38	87.5 Å²	87.5	20%	0.199	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-35.3	-177.8	-64	165.1	0	0	0	111.4	I288 A290 I298 F319 Y361	I288-L300 HydrophobicContact CB-CB 4.37Å; I288-L300 HydrophobicContact CG2-CB 4.23Å; I288-L300 HydrophobicContact CG2-CD1 3.94Å; I288-L300 PolarHBondContact O-N 3.15Å; A290-L300 HydrophobicContact CB-CD1 3.42Å; A290-L300 VanDerWaalsContact CB-CD1 3.42Å; A290-L300 HydrophobicContact CB-CG 4.09Å; I298-L300 HydrophobicContact CG2-CD2 4.27Å; I298-L300 PolarHBondContact O-N 3.38Å; L300-F319 HydrophobicContact CB-CD2 4.29Å; L300-F319 HydrophobicContact CB-CE2 4.33Å; L300-F319 HydrophobicContact CD1-CD2 3.58Å; L300-F319 HydrophobicContact CD1-CE2 3.18Å; L300-F319 HydrophobicContact CD1-CG 4.4Å; L300-F319 HydrophobicContact CD1-CZ 3.74Å; L300-F319 HydrophobicContact CD2-CE2 4.06Å; L300-F319 HydrophobicContact CG-CD2 4.43Å; L300-F319 HydrophobicContact CG-CE2 4.04Å; L300-Y361 HydrophobicContact CD1-CD1 4.03Å; L300-Y361 HydrophobicContact CD1-CE1 3.78Å
301	F	69.5	Low	63.6	Low	62 Å²	62	93.2 Å²	93.2	27%	0.272	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	143.3	180	174.7	-95.6	0	0	0	110.7	I285 F287 I288 I303	I285-F301 HydrophobicContact CB-CE1 4.28Å; I285-F301 HydrophobicContact CG2-CD1 4Å; I285-F301 HydrophobicContact CG2-CE1 4.12Å; F287-F301 CarbonylContact C-O 3.59Å; F287-F301 WeakPolarHBondContact CA-O 3.4Å; F287-F301 WeakPolarHBondContact CB-O 3.5Å; I288-F301 HydrophobicContact CB-CB 4.09Å; I288-F301 HydrophobicContact CD1-CB 4.15Å; I288-F301 HydrophobicContact CG1-CB 4.07Å; I288-F301 HydrophobicContact CG1-CD1 4.3Å; I288-F301 PolarHBondContact N-O 2.97Å; I288-F301 PolarHBondContact O-N 3.11Å; F301-I303 HydrophobicContact CE1-CG1 4.17Å; F301-I303 HydrophobicContact CZ-CG1 4.12Å
302	S	65.2	Low	61.2	Low	25 Å²	25	98 Å²	98	18%	0.175	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	130.7	174.6	-175	0	0	0	0	111	T286 E299 N304 N305	T286-S302 WeakPolarHBondContact O-CA 3.38Å; E299-S302 WeakPolarHBondContact OE1-CB 3.39Å; E299-S302 PolarHBondContact OE1-OG 3.2Å; S302-N304 PolarHBondContact O-N 2.86Å; S302-N305 PolarHBondContact O-N 3.47Å
303	I	60.1	Low	58.9	Low	74 Å²	74	102.8 Å²	102.8	38%	0.379	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.4	-32.3	-176	-89.6	177.1	0	0	0	113.1	I285 T286 F301 N305	I285-I303 WeakPolarHBondContact O-CD1 3.27Å; T286-I303 PolarHBondContact O-N 2.92Å; F301-I303 HydrophobicContact CE1-CG1 4.17Å; F301-I303 HydrophobicContact CZ-CG1 4.12Å; I303-N305 PolarHBondContact O-N 3.05Å
304	N	54.5	Low	56.8	Low	142 Å²	142	102.5 Å²	102.5	76%	0.759	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-11.3	-175.4	-71.5	-18.2	0	0	0	113.2	S302 T306	S302-N304 PolarHBondContact O-N 2.86Å; N304-T306 PolarHBondContact O-N 2.8Å
305	N	42.1	Very low	54.9	Low	101 Å²	101	102.2 Å²	102.2	54%	0.54	56%	0.557	S	S	.	*			trans	-83	64.2	175.6	-119.5	-9.9	0	0	0	111.2	S302 I303 N307	S302-N305 PolarHBondContact O-N 3.47Å; I303-N305 PolarHBondContact O-N 3.05Å; N305-N307 PolarHBondContact O-N 2.78Å
306	T	44.1	Very low	52.9	Low	123 Å²	123	100.9 Å²	100.9	76%	0.755	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	4.2	177.5	48	0	0	0	0	114.5	N304	N304-T306 PolarHBondContact O-N 2.8Å
307	N	39.4	Very low	50.9	Low	133 Å²	133	100.9 Å²	100.9	71%	0.711	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	11.5	178	-76.3	-21.1	0	0	0	114.9	N305 T309	N305-N307 PolarHBondContact O-N 2.78Å; N307-T309 PolarHBondContact O-N 3.47Å
308	I	36.6	Very low	49	Very low	103 Å²	103	100.1 Å²	100.1	53%	0.528	54%	0.543	S	S	.	.			trans	-81.6	74.9	166.6	-55.7	173.9	0	0	0	108.3	N310 N314	I308-N310 PolarHBondContact O-N 2.89Å; I308-N314 WeakPolarHBondContact CG2-ND2 3.31Å
309	T	36	Very low	47.6	Very low	113 Å²	113	98.1 Å²	98.1	69%	0.693	53%	0.533	S	S	*	.			trans	-69.6	110.3	167.3	42.4	0	0	0	0	108.8	N307 N311	N307-T309 PolarHBondContact O-N 3.47Å; T309-N311 PolarHBondContact O-N 3.36Å
310	N	37.9	Very low	46.3	Very low	159 Å²	159	93.8 Å²	93.8	85%	0.85	51%	0.512	S	S	*	.	S	Bend	trans	41.8	30.3	153.1	-74	-9.4	0	0	0	119.1	I308 S312	I308-N310 PolarHBondContact O-N 2.89Å; N310-S312 PolarHBondContact O-N 3.29Å
311	N	31.6	Very low	44.8	Very low	120 Å²	120	95.9 Å²	95.9	64%	0.642	52%	0.524	S	S	*	.			trans	-89.3	102	169.9	-136.6	7.7	0	0	0	108.2	T309 N313 N314	T309-N311 PolarHBondContact O-N 3.36Å; N311-N313 PolarHBondContact O-N 2.73Å; N311-N314 PolarHBondContact O-N 2Å
312	S	37.8	Very low	43.9	Very low	115 Å²	115	94.7 Å²	94.7	80%	0.804	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	15.8	-174.3	-33	0	0	0	0	114.8	N310	N310-S312 PolarHBondContact O-N 3.29Å
313	N	36.7	Very low	43.1	Very low	131 Å²	131	97.6 Å²	97.6	70%	0.701	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.7	19.3	-176	-79.5	-4.7	0	0	0	112.7	N311 N315	N311-N313 PolarHBondContact O-N 2.73Å; N313-N315 PolarHBondContact O-N 2.67Å
314	N	35.3	Very low	42.4	Very low	64 Å²	64	96.3 Å²	96.3	34%	0.342	52%	0.524	S	S	.	.			trans	-75.5	76	168.8	-86.3	11.4	0	0	0	109.6	I308 N311 N316	I308-N314 WeakPolarHBondContact CG2-ND2 3.31Å; N311-N314 PolarHBondContact O-N 2Å; N314-N316 PolarHBondContact O-N 2.83Å
315	N	39.6	Very low	41.7	Very low	136 Å²	136	94.6 Å²	94.6	73%	0.727	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-2.1	156.7	-76.3	-5.7	0	0	0	112.1	N313 N317 Q318	N313-N315 PolarHBondContact O-N 2.67Å; N315-N317 PolarHBondContact O-N 3.35Å; N315-Q318 WeakPolarHBondContact O-CG 3.27Å; N315-Q318 PolarHBondContact O-N 2.95Å
316	N	39.7	Very low	41.5	Very low	97 Å²	97	94.3 Å²	94.3	52%	0.519	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.6	-179.6	-63.4	12.7	0	0	0	113.8	N314 Q318	N314-N316 PolarHBondContact O-N 2.83Å; N316-Q318 PolarHBondContact O-N 2.89Å
317	N	39.5	Very low	41.1	Very low	110 Å²	110	96.1 Å²	96.1	59%	0.588	51%	0.513	S	S	*	.			trans	-77.3	49.7	159.3	-67.9	5.1	0	0	0	109.7	N315 F319	N315-N317 PolarHBondContact O-N 3.35Å; N317-F319 PolarHBondContact O-N 2.85Å
318	Q	46.1	Very low	40.7	Very low	81 Å²	81	97.3 Å²	97.3	38%	0.379	52%	0.519	S	S	.	.			trans	-64.5	-7.6	177.5	-94.6	176.6	-29.4	0	0	112.5	N315 N316	N315-Q318 WeakPolarHBondContact O-CG 3.27Å; N315-Q318 PolarHBondContact O-N 2.95Å; N316-Q318 PolarHBondContact O-N 2.89Å
319	F	49	Very low	40.4	Very low	24 Å²	24	99.9 Å²	99.9	11%	0.105	53%	0.529	C	S	.	.	S	Bend	trans	-129.7	117.4	-165.5	-56.1	-73.6	0	0	0	110.1	I288 L300 N317 L353 Y361	I288-F319 HydrophobicContact CD1-CB 3.63Å; I288-F319 HydrophobicContact CG2-CB 4.17Å; I288-F319 HydrophobicContact CG2-CD2 4.35Å; I288-F319 HydrophobicContact CG2-CG 4.24Å; L300-F319 HydrophobicContact CB-CD2 4.29Å; L300-F319 HydrophobicContact CB-CE2 4.33Å; L300-F319 HydrophobicContact CD1-CD2 3.58Å; L300-F319 HydrophobicContact CD1-CE2 3.18Å; L300-F319 HydrophobicContact CD1-CG 4.4Å; L300-F319 HydrophobicContact CD1-CZ 3.74Å; L300-F319 HydrophobicContact CD2-CE2 4.06Å; L300-F319 HydrophobicContact CG-CD2 4.43Å; L300-F319 HydrophobicContact CG-CE2 4.04Å; N317-F319 PolarHBondContact O-N 2.85Å; F319-L353 HydrophobicContact CE1-CD2 4.4Å; F319-Y361 HydrophobicContact CD1-CD1 4.19Å; F319-Y361 AromaticContact CD1-CE1 3.77Å; F319-Y361 HydrophobicContact CD1-CE1 3.77Å; F319-Y361 HydrophobicContact CE1-CD1 4.01Å; F319-Y361 AromaticContact CE1-CE1 3.14Å; F319-Y361 HydrophobicContact CE1-CE1 3.14Å; F319-Y361 HydrophobicContact CE1-CE2 4.49Å; F319-Y361 AromaticContact CE1-CZ 3.45Å; F319-Y361 VanDerWaalsContact CE1-CZ 3.45Å; F319-Y361 WeakPolarHBondContact CE1-OH 3.31Å; F319-Y361 HydrophobicContact CE2-CE1 4.19Å; F319-Y361 HydrophobicContact CZ-CD1 4.42Å; F319-Y361 AromaticContact CZ-CE1 3.39Å; F319-Y361 HydrophobicContact CZ-CE1 3.39Å; F319-Y361 AromaticContact CZ-CZ 3.87Å
320	I	53.4	Low	40.1	Very low	18 Å²	18	101.4 Å²	101.4	9%	0.092	53%	0.533	C	S	.	.			trans	75.9	95.3	142.1	-50.6	162.7	0	0	0	114.7	I285 I288 I322 I347 Q348 I363 I384	I285-I320 HydrophobicContact CD1-CB 4.14Å; I285-I320 HydrophobicContact CD1-CG2 3.93Å; I288-I320 HydrophobicContact CD1-CD1 4.42Å; I320-I322 HydrophobicContact CG2-CG1 4.18Å; I320-I322 PolarHBondContact O-N 2.82Å; I320-I347 HydrophobicContact CB-CD1 3.99Å; I320-I347 HydrophobicContact CB-CG1 3.89Å; I320-I347 HydrophobicContact CD1-CD1 3.21Å; I320-I347 HydrophobicContact CD1-CG1 4.05Å; I320-I347 HydrophobicContact CG1-CD1 3.28Å; I320-I347 HydrophobicContact CG1-CG1 3.52Å; I320-I347 HydrophobicContact CG2-CB 3.82Å; I320-I347 HydrophobicContact CG2-CD1 3.58Å; I320-I347 HydrophobicContact CG2-CG1 3.34Å; I320-Q348 WeakPolarHBondContact CA-O 3.46Å; I320-I363 HydrophobicContact CD1-CD1 3.21Å; I320-I363 HydrophobicContact CD1-CG1 3.56Å; I320-I384 HydrophobicContact CD1-CD1 4.44Å
321	L	46.5	Very low	39.5	Very low	83 Å²	83	101.8 Å²	101.8	44%	0.435	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.2	159.5	-151.4	95.9	0	0	0	108.2	Q323 Q348	L321-Q323 HydrophobicContact CD2-CB 4.26Å; L321-Q323 HydrophobicContact CD2-CG 3.99Å; L321-Q323 PolarHBondContact O-N 3.33Å; L321-Q348 HydrophobicContact CB-CB 4.31Å; L321-Q348 PolarHBondContact O-N 3.26Å
322	I	50.9	Low	39.2	Very low	36 Å²	36	102 Å²	102	19%	0.185	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105.9	162.4	-61.8	-176.8	0	0	0	106.7	I285 I320 L345 I365	I285-I322 HydrophobicContact CD1-CD1 4.13Å; I285-I322 HydrophobicContact CD1-CG1 4.14Å; I285-I322 HydrophobicContact CG1-CD1 3.42Å; I285-I322 VanDerWaalsContact CG1-CD1 3.42Å; I285-I322 HydrophobicContact CG1-CG1 3.98Å; I320-I322 HydrophobicContact CG2-CG1 4.18Å; I320-I322 PolarHBondContact O-N 2.82Å; I322-L345 HydrophobicContact CG2-CD1 3.27Å; I322-L345 HydrophobicContact CG2-CG 4.32Å; I322-I365 HydrophobicContact CD1-CB 4.44Å; I322-I365 HydrophobicContact CD1-CD1 3.9Å; I322-I365 HydrophobicContact CD1-CG1 3.94Å; I322-I365 HydrophobicContact CD1-CG2 3.73Å
323	Q	48.5	Very low	38.6	Very low	87 Å²	87	103.9 Å²	103.9	41%	0.407	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.3	171.6	-133.8	174.7	0.6	0	0	108.5	L321 Y346	L321-Q323 HydrophobicContact CD2-CB 4.26Å; L321-Q323 HydrophobicContact CD2-CG 3.99Å; L321-Q323 PolarHBondContact O-N 3.33Å; Q323-Y346 HydrophobicContact CB-CD2 4.14Å; Q323-Y346 HydrophobicContact CB-CE2 4.38Å; Q323-Y346 WeakPolarHBondContact O-CD2 3.45Å; Q323-Y346 VanDerWaalsContact O-CE2 3.23Å; Q323-Y346 WeakPolarHBondContact O-CE2 3.46Å
324	D	46.2	Very low	38.1	Very low	46 Å²	46	104.2 Å²	104.2	25%	0.246	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.2	158.7	-171.9	11.4	0	0	0	106.8	N326	D324-N326 PolarHBondContact O-N 3.03Å
325	N	38.4	Very low	37.5	Very low	106 Å²	106	108.8 Å²	108.8	57%	0.567	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	38.5	-166.6	-124.5	0.1	0	0	0	113.3	Y346	N325-Y346 HydrophobicContact CB-CE2 4.29Å; N325-Y346 WeakPolarHBondContact CB-OH 3.37Å; N325-Y346 PolarHBondContact ND2-OH 2.56Å
326	N	39.2	Very low	36.7	Very low	95 Å²	95	107.2 Å²	107.2	51%	0.508	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.3	11.2	-177.4	-86	-29	0	0	0	115.1	D324 N328 N343	D324-N326 PolarHBondContact O-N 3.03Å; N326-N328 PolarHBondContact O-N 2.9Å; N326-N343 PolarHBondContact ND2-OD1 3.25Å; N326-N343 VanDerWaalsContact ND2-OD1 3.1Å
327	H	35.5	Very low	36.1	Very low	161 Å²	161	110.3 Å²	110.3	75%	0.745	57%	0.574	S	S	*	*			trans	-92	68.6	172.6	-90.2	-20.2	0	0	0	113.3
328	N	29.9	Very low	35.4	Very low	158 Å²	158	111.9 Å²	111.9	85%	0.845	58%	0.582	S	S	*	*			trans	-114.7	65.3	150.2	-86	-23.6	0	0	0	109	N326 N330	N326-N328 PolarHBondContact O-N 2.9Å; N328-N330 PolarHBondContact O-N 2.75Å; N328-N330 VanDerWaalsContact O-N 3.08Å
329	H	30.5	Very low	34.4	Very low	158 Å²	158	116 Å²	116	73%	0.731	60%	0.601	S	S	*	*			trans	-70.6	87.4	150.6	-85.8	-59.5	0	0	0	106.9
330	N	29	Very low	33.5	Very low	144 Å²	144	125.2 Å²	125.2	77%	0.77	64%	0.637	S	S	*	*	S	Bend	trans	-172.1	118	156.5	-87.4	-28.9	0	0	0	109.9	N328	N328-N330 PolarHBondContact O-N 2.75Å; N328-N330 VanDerWaalsContact O-N 3.08Å
331	H	26.3	Very low	32.5	Very low	167 Å²	167	130.4 Å²	130.4	77%	0.773	67%	0.665	S	S	*	*			trans	77.7	115.9	165.4	-76.5	-79.7	0	0	0	119.7	E333	H331-E333 PolarHBondContact O-N 3.06Å
332	P	25.1	Very low	32.5	Very low	126 Å²	126	133.2 Å²	133.2	82%	0.818	67%	0.674	S	S	*	*			trans	-87.5	80.6	175.2	35.8	-30.2	0	0	0	110.2
333	E	25.4	Very low	33	Very low	154 Å²	154	135 Å²	135	72%	0.72	68%	0.684	S	S	*	*			trans	-134.3	97.5	172.4	-79	-175.7	169.9	0	0	111.7	H331 Q335	H331-E333 PolarHBondContact O-N 3.06Å; E333-Q335 PolarHBondContact O-N 3.31Å
334	T	25.7	Very low	34.1	Very low	138 Å²	138	133.2 Å²	133.2	85%	0.847	68%	0.676	S	S	*	*			trans	46.1	72.6	140.3	56.9	0	0	0	0	118.2
335	Q	23.6	Very low	35.7	Very low	160 Å²	160	131 Å²	131	75%	0.748	66%	0.664	S	S	*	*			trans	-142.7	91.2	160.7	-67.4	-168.3	-1	0	0	113.2	E333	E333-Q335 PolarHBondContact O-N 3.31Å
336	S	23.3	Very low	37.7	Very low	102 Å²	102	127 Å²	127	71%	0.713	64%	0.641	S	S	*	*			trans	31.6	99.2	131	44.2	0	0	0	0	120.6	N338	S336-N338 VanDerWaalsContact C-N 3.29Å; S336-N338 PolarHBondContact O-N 3.15Å
337	I	25.1	Very low	39.9	Very low	162 Å²	162	122.7 Å²	122.7	83%	0.831	62%	0.618	S	S	*	*	S	Bend		50.4	-11.4	128.2	-64.5	169.8	0	0	0	121.6
338	N	24.9	Very low	42.1	Very low	143 Å²	143	117.3 Å²	117.3	77%	0.765	59%	0.593	S	S	*	*			trans	-104.1	22.1	179.9	-74.8	-14.7	0	0	0	114.6	S336 Y340	S336-N338 VanDerWaalsContact C-N 3.29Å; S336-N338 PolarHBondContact O-N 3.15Å; N338-Y340 VanDerWaalsContact C-N 3.33Å; N338-Y340 PolarHBondContact O-N 2.9Å
339	Q	26.5	Very low	44.5	Very low	167 Å²	167	110.5 Å²	110.5	78%	0.78	56%	0.556	S	S	*	*			trans	-92.3	35.5	-178	-72	-175.8	-14.3	0	0	114.1	N341	Q339-N341 PolarHBondContact O-N 3.31Å
340	Y	29.4	Very low	46.6	Very low	218 Å²	218	106.9 Å²	106.9	86%	0.855	54%	0.541	S	S	*	.			trans	-76.9	35.8	157.2	-81.4	-80.7	0	0	0	111.4	N338 K342	N338-Y340 VanDerWaalsContact C-N 3.33Å; N338-Y340 PolarHBondContact O-N 2.9Å; Y340-K342 VanDerWaalsContact C-N 3.27Å; Y340-K342 PolarHBondContact O-N 3.18Å; Y340-K342 VanDerWaalsContact O-N 3.15Å
341	N	32.5	Very low	49	Very low	127 Å²	127	103.6 Å²	103.6	68%	0.679	52%	0.524	S	S	*	.			trans	-83.7	81.9	166.8	-85.9	-21.9	0	0	0	106.3	Q339	Q339-N341 PolarHBondContact O-N 3.31Å
342	K	47.4	Very low	51.7	Low	142 Å²	142	99.5 Å²	99.5	62%	0.617	51%	0.514	S	S	*	.				54	81	107	-72.3	175.4	178.5	171.2	0	110	Y340 Q344	Y340-K342 VanDerWaalsContact C-N 3.27Å; Y340-K342 PolarHBondContact O-N 3.18Å; Y340-K342 VanDerWaalsContact O-N 3.15Å; K342-Q344 HydrophobicContact CB-CG 4.19Å; K342-Q344 WeakPolarHBondContact O-CG 3.44Å; K342-Q344 PolarHBondContact O-N 3.22Å; K342-Q344 VanDerWaalsContact O-N 3.1Å
343	N	59.9	Low	54.6	Low	73 Å²	73	94.3 Å²	94.3	39%	0.39	48%	0.479	S	S	.	.			trans	-47.6	120.7	155.3	-80.8	16.8	0	0	0	106.9	N326	N326-N343 PolarHBondContact ND2-OD1 3.25Å; N326-N343 VanDerWaalsContact ND2-OD1 3.1Å
344	Q	71.2	Confident	57.5	Low	51 Å²	51	89.9 Å²	89.9	24%	0.238	46%	0.461	C	S	.	.			trans	-129.8	127.7	179.5	-74.1	170.4	2.2	0	0	106.4	K342 Y346	K342-Q344 HydrophobicContact CB-CG 4.19Å; K342-Q344 WeakPolarHBondContact O-CG 3.44Å; K342-Q344 PolarHBondContact O-N 3.22Å; K342-Q344 VanDerWaalsContact O-N 3.1Å; Q344-Y346 HydrophobicContact CB-CD1 4.11Å; Q344-Y346 HydrophobicContact CB-CE1 3.26Å; Q344-Y346 WeakPolarHBondContact CB-OH 3.25Å; Q344-Y346 HydrophobicContact CG-CE1 4.28Å; Q344-Y346 WeakPolarHBondContact O-CE2 3.49Å; Q344-Y346 PolarHBondContact OE1-OH 2.85Å
345	L	80.4	Confident	60.5	Low	0 Å²	0	84.3 Å²	84.3	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131	172.2	-168.2	68.8	0	0	0	107.9	F246 L267 P268 I269 Y283 I322	F246-L345 HydrophobicContact CE1-CD2 4.11Å; L267-L345 HydrophobicContact CB-CB 4.14Å; L267-L345 HydrophobicContact CB-CD2 3.88Å; L267-L345 HydrophobicContact CB-CG 4.03Å; L267-L345 HydrophobicContact CD1-CD2 4.19Å; L267-L345 HydrophobicContact CD1-CG 4.31Å; L267-L345 PolarHBondContact N-O 3.19Å; P268-L345 WeakPolarHBondContact O-CD2 3.38Å; I269-L345 HydrophobicContact CG2-CB 3.86Å; Y283-L345 HydrophobicContact CD1-CD1 4Å; Y283-L345 HydrophobicContact CD1-CD2 4.03Å; Y283-L345 HydrophobicContact CD2-CD1 3.67Å; Y283-L345 HydrophobicContact CE1-CD1 4.36Å; Y283-L345 HydrophobicContact CE1-CD2 4.06Å; Y283-L345 HydrophobicContact CE2-CD1 4.08Å; Y283-L345 HydrophobicContact CG-CD1 3.62Å; Y283-L345 HydrophobicContact CG-CD2 4.48Å; I322-L345 HydrophobicContact CG2-CD1 3.27Å; I322-L345 HydrophobicContact CG2-CG 4.32Å
346	Y	81.7	Confident	63.6	Low	22 Å²	22	78 Å²	78	9%	0.086	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.8	173.1	-12.6	-91.4	0	0	0	110.9	Y265 Q323 N325 Q344	Y265-Y346 CarbonylContact O-C 3.56Å; Y265-Y346 WeakPolarHBondContact O-CA 3.31Å; Q323-Y346 HydrophobicContact CB-CD2 4.14Å; Q323-Y346 HydrophobicContact CB-CE2 4.38Å; Q323-Y346 WeakPolarHBondContact O-CD2 3.45Å; Q323-Y346 VanDerWaalsContact O-CE2 3.23Å; Q323-Y346 WeakPolarHBondContact O-CE2 3.46Å; N325-Y346 HydrophobicContact CB-CE2 4.29Å; N325-Y346 WeakPolarHBondContact CB-OH 3.37Å; N325-Y346 PolarHBondContact ND2-OH 2.56Å; Q344-Y346 HydrophobicContact CB-CD1 4.11Å; Q344-Y346 HydrophobicContact CB-CE1 3.26Å; Q344-Y346 WeakPolarHBondContact CB-OH 3.25Å; Q344-Y346 HydrophobicContact CG-CE1 4.28Å; Q344-Y346 WeakPolarHBondContact O-CE2 3.49Å; Q344-Y346 PolarHBondContact OE1-OH 2.85Å
347	I	84	Confident	66.5	Low	3 Å²	3	77.9 Å²	77.9	2%	0.015	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119	162.7	166	160.9	0	0	0	106.9	I253 N264 Y265 L267 I320 I363 L382 I384	I253-I347 HydrophobicContact CD1-CG2 4.14Å; N264-I347 CarbonylContact C-O 3.54Å; N264-I347 WeakPolarHBondContact CA-O 3.28Å; Y265-I347 HydrophobicContact CD2-CG2 4.31Å; Y265-I347 HydrophobicContact CG-CG2 4.43Å; Y265-I347 PolarHBondContact N-O 2.91Å; Y265-I347 VanDerWaalsContact O-CG2 3.24Å; Y265-I347 WeakPolarHBondContact O-CG2 3.34Å; Y265-I347 PolarHBondContact O-N 3.21Å; L267-I347 HydrophobicContact CD1-CB 4.03Å; L267-I347 HydrophobicContact CD1-CG2 4.01Å; L267-I347 HydrophobicContact CD2-CG2 3.79Å; L267-I347 HydrophobicContact CG-CB 4.38Å; L267-I347 HydrophobicContact CG-CG2 3.85Å; I320-I347 HydrophobicContact CB-CD1 3.99Å; I320-I347 HydrophobicContact CB-CG1 3.89Å; I320-I347 HydrophobicContact CD1-CD1 3.21Å; I320-I347 HydrophobicContact CD1-CG1 4.05Å; I320-I347 HydrophobicContact CG1-CD1 3.28Å; I320-I347 HydrophobicContact CG1-CG1 3.52Å; I320-I347 HydrophobicContact CG2-CB 3.82Å; I320-I347 HydrophobicContact CG2-CD1 3.58Å; I320-I347 HydrophobicContact CG2-CG1 3.34Å; I347-I363 HydrophobicContact CD1-CD1 4.4Å; I347-L382 HydrophobicContact CD1-CD2 3.64Å; I347-I384 HydrophobicContact CD1-CD1 3.59Å
348	Q	81.4	Confident	69.5	Low	48 Å²	48	72.6 Å²	72.6	22%	0.224	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.6	176.5	-176.8	165.3	42	0	0	110.9	G262 I263 N264 I320 L321 I350	G262-Q348 PolarHBondContact O-NE2 3.17Å; I263-Q348 WeakPolarHBondContact O-CA 3.46Å; N264-Q348 WeakPolarHBondContact OD1-CB 3.41Å; N264-Q348 VanDerWaalsContact OD1-CD 3.27Å; N264-Q348 WeakPolarHBondContact OD1-CG 3.3Å; N264-Q348 PolarHBondContact OD1-NE2 3.34Å; I320-Q348 WeakPolarHBondContact CA-O 3.46Å; L321-Q348 HydrophobicContact CB-CB 4.31Å; L321-Q348 PolarHBondContact O-N 3.26Å; Q348-I350 PolarHBondContact O-N 3.05Å
349	L	82	Confident	72.5	Confident	15 Å²	15	67.3 Å²	67.3	8%	0.079	33%	0.326	C	S	.	.			trans	-72.7	123.2	168.9	-172.9	63.6	0	0	0	109.2	D259 G262 I263 D351 L353	D259-L349 HydrophobicContact CB-CD2 4.13Å; D259-L349 WeakPolarHBondContact O-CD2 3.26Å; G262-L349 WeakPolarHBondContact CA-O 3.39Å; G262-L349 PolarHBondContact N-O 2.91Å; I263-L349 PolarHBondContact O-N 2.9Å; L349-D351 WeakPolarHBondContact CD1-O 3.22Å; L349-D351 WeakPolarHBondContact CG-O 3.26Å; L349-L353 HydrophobicContact CD1-CD1 3.88Å; L349-L353 HydrophobicContact CD1-CD2 3.93Å; L349-L353 HydrophobicContact CD1-CG 3.74Å; L349-L353 HydrophobicContact CD2-CD1 4.29Å; L349-L353 HydrophobicContact CD2-CG 4.43Å
350	I	74.1	Confident	75.6	Confident	82 Å²	82	61.3 Å²	61.3	42%	0.421	30%	0.298	S	S	.	.			trans	-103	-28	-174.5	-31.4	174.4	0	0	0	111.4	P261 Q348	P261-I350 WeakPolarHBondContact CB-O 3.45Å; Q348-I350 PolarHBondContact O-N 3.05Å
351	D	79	Confident	78.4	Confident	75 Å²	75	51.4 Å²	51.4	40%	0.401	26%	0.259	S	S	.	.	S	Bend	trans	-135.8	163.2	-178.9	-153.8	-4.7	0	0	0	109.9	L349	L349-D351 WeakPolarHBondContact CD1-O 3.22Å; L349-D351 WeakPolarHBondContact CG-O 3.26Å
352	S	82.6	Confident	81.2	Confident	81 Å²	81	50.1 Å²	50.1	57%	0.566	25%	0.246	S	C	*	.			trans	-66.3	145.1	175.7	49.2	0	0	0	0	110.6
353	L	85.9	Confident	83.1	Confident	17 Å²	17	43.5 Å²	43.5	9%	0.089	22%	0.217	C	C	.	.			trans	-87.5	154	173.1	-63.5	164.7	0	0	0	109.3	I255 E257 F319 L349 Y361 I386	I255-L353 HydrophobicContact CB-CD1 4.19Å; I255-L353 HydrophobicContact CG2-CD1 3.29Å; E257-L353 WeakPolarHBondContact CG-O 3.36Å; F319-L353 HydrophobicContact CE1-CD2 4.4Å; L349-L353 HydrophobicContact CD1-CD1 3.88Å; L349-L353 HydrophobicContact CD1-CD2 3.93Å; L349-L353 HydrophobicContact CD1-CG 3.74Å; L349-L353 HydrophobicContact CD2-CD1 4.29Å; L349-L353 HydrophobicContact CD2-CG 4.43Å; L353-Y361 HydrophobicContact CD2-CE2 4.28Å; L353-I386 HydrophobicContact CD1-CD1 3.65Å; L353-I386 HydrophobicContact CD2-CD1 4.39Å; L353-I386 HydrophobicContact CG-CD1 4.45Å
354	D	86.4	Confident	84.4	Confident	62 Å²	62	42.2 Å²	42.2	33%	0.332	21%	0.209	S	C	.	.			trans	-134.6	108.1	173.8	177.5	-34.1	0	0	0	105.8	E257 E356 L357 Y358	E257-D354 VanDerWaalsContact OE1-CA 3.25Å; E257-D354 WeakPolarHBondContact OE1-CA 3.31Å; D354-E356 VanDerWaalsContact C-N 3.35Å; D354-E356 WeakPolarHBondContact OD1-CB 3.29Å; D354-E356 PolarHBondContact OD1-N 3.19Å; D354-E356 VanDerWaalsContact OD1-N 3.09Å; D354-L357 HydrophobicContact CB-CB 4.2Å; D354-L357 HydrophobicContact CB-CD1 4.01Å; D354-L357 HydrophobicContact CB-CG 4.37Å; D354-L357 PolarHBondContact OD1-N 2.88Å; D354-L357 VanDerWaalsContact OD2-CD1 3.27Å; D354-L357 WeakPolarHBondContact OD2-CD1 2.92Å; D354-Y358 PolarHBondContact O-N 2.55Å
355	R	89.4	Confident	85.2	Confident	20 Å²	20	39.8 Å²	39.8	8%	0.075	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-36.3	-175	-170	-154.7	71.6	95.3	-0.1	110.4	E257 N293 L357 Y358 H359 I386 D388 I423	E257-R355 PolarHBondContact OE1-N 3.17Å; E257-R355 WeakPolarHBondContact OE2-CB 3.37Å; N293-R355 PolarHBondContact OD1-O 2.85Å; R355-L357 PolarHBondContact O-N 3.17Å; R355-Y358 CarbonylContact O-C 3.56Å; R355-Y358 PolarHBondContact O-N 2.8Å; R355-Y358 VanDerWaalsContact O-N 3.17Å; R355-H359 HydrophobicContact CG-CB 3.78Å; R355-H359 PolarHBondContact O-N 3.35Å; R355-I386 HydrophobicContact CB-CB 4.43Å; R355-I386 HydrophobicContact CB-CG2 3.8Å; R355-I386 HydrophobicContact CG-CB 4.07Å; R355-I386 HydrophobicContact CG-CG2 3.94Å; R355-D388 WeakPolarHBondContact CD-OD1 2.85Å; R355-D388 IonicContact CZ-OD1 3.88Å; R355-D388 IonicContact NE-OD1 3.61Å; R355-D388 PolarHBondContact NE-OD1 2.88Å; R355-D388 IonicContact NH2-OD1 3.78Å; R355-D388 PolarHBondContact NH2-OD1 3.46Å; R355-I423 PolarHBondContact NH2-O 3Å
356	E	88.8	Confident	85.4	Confident	29 Å²	29	41.2 Å²	41.2	14%	0.136	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.3	179.9	-75	53.7	-113.9	0	0	111.1	N293 D354 Q392 I423	N293-E356 WeakPolarHBondContact ND2-CA 3.06Å; N293-E356 PolarHBondContact ND2-O 3.34Å; D354-E356 VanDerWaalsContact C-N 3.35Å; D354-E356 WeakPolarHBondContact OD1-CB 3.29Å; D354-E356 PolarHBondContact OD1-N 3.19Å; D354-E356 VanDerWaalsContact OD1-N 3.09Å; E356-Q392 HydrophobicContact CG-CG 4.17Å; E356-I423 HydrophobicContact CB-CD1 4.23Å; E356-I423 HydrophobicContact CG-CD1 3.7Å; E356-I423 HydrophobicContact CG-CG1 3.83Å
357	L	84.4	Confident	85.6	Confident	98 Å²	98	40.1 Å²	40.1	51%	0.513	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-56.2	167.4	-76.1	172.5	0	0	0	112.6	N292 D354 R355	N292-L357 VanDerWaalsContact CA-O 3.26Å; N292-L357 WeakPolarHBondContact CA-O 3.25Å; N292-L357 WeakPolarHBondContact CB-O 3.46Å; D354-L357 HydrophobicContact CB-CB 4.2Å; D354-L357 HydrophobicContact CB-CD1 4.01Å; D354-L357 HydrophobicContact CB-CG 4.37Å; D354-L357 PolarHBondContact OD1-N 2.88Å; D354-L357 VanDerWaalsContact OD2-CD1 3.27Å; D354-L357 WeakPolarHBondContact OD2-CD1 2.92Å; R355-L357 PolarHBondContact O-N 3.17Å
358	Y	86.6	Confident	85.7	Confident	52 Å²	52	42.3 Å²	42.3	20%	0.204	21%	0.211	C	C	.	.			trans	-142.9	108.1	-174.7	-57.5	-60.4	0	0	0	113.1	A290 I291 N292 I298 D354 R355 Y361	A290-Y358 HydrophobicContact CB-CD1 3.74Å; A290-Y358 HydrophobicContact CB-CD2 4.34Å; A290-Y358 HydrophobicContact CB-CE1 4.26Å; A290-Y358 HydrophobicContact CB-CG 3.8Å; I291-Y358 CarbonylContact O-C 3.54Å; I291-Y358 WeakPolarHBondContact O-CA 3.18Å; N292-Y358 HydrophobicContact CB-CD1 3.85Å; N292-Y358 HydrophobicContact CB-CE1 4.04Å; I298-Y358 HydrophobicContact CD1-CE1 3.81Å; D354-Y358 PolarHBondContact O-N 2.55Å; R355-Y358 CarbonylContact O-C 3.56Å; R355-Y358 PolarHBondContact O-N 2.8Å; R355-Y358 VanDerWaalsContact O-N 3.17Å; Y358-Y361 WeakPolarHBondContact CB-OH 3.03Å
359	H	88.8	Confident	85.9	Confident	31 Å²	31	40.1 Å²	40.1	14%	0.144	20%	0.201	C	C	.	.	S	Bend	trans	-88.9	-15.2	-175.7	70.9	-81.7	0	0	0	114.5	I291 N292 N293 R355 I386	I291-H359 PolarHBondContact O-N 3.35Å; I291-H359 PolarHBondContact O-ND1 3.28Å; N292-H359 PolarHBondContact O-CE1 3.46Å; N292-H359 PolarHBondContact O-ND1 2.71Å; N293-H359 WeakPolarHBondContact OD1-CB 3.41Å; N293-H359 PolarHBondContact OD1-ND1 3.38Å; R355-H359 HydrophobicContact CG-CB 3.78Å; R355-H359 PolarHBondContact O-N 3.35Å; H359-I386 PolarHBondContact O-N 3.29Å
360	Q	91.8	Very high	86	Confident	42 Å²	42	43.4 Å²	43.4	20%	0.196	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.4	-179.3	-78.4	170.5	14.2	0	0	112.5	A290 I291 F383 I384	A290-Q360 CarbonylContact C-O 3.44Å; A290-Q360 WeakPolarHBondContact CA-O 3.19Å; I291-Q360 HydrophobicContact CB-CB 4.13Å; I291-Q360 HydrophobicContact CG1-CB 4.39Å; I291-Q360 PolarHBondContact N-O 2.84Å; Q360-F383 HydrophobicContact CB-CE2 4.16Å; Q360-F383 HydrophobicContact CB-CZ 4.47Å; Q360-F383 HydrophobicContact CG-CE2 3.93Å; Q360-F383 HydrophobicContact CG-CZ 3.74Å; Q360-I384 CarbonylContact C-O 3.48Å; Q360-I384 WeakPolarHBondContact CA-O 3.32Å
361	Y	88.7	Confident	86.4	Confident	9 Å²	9	40 Å²	40	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.5	171.8	-58.9	-100.4	0	0	0	112.1	H289 A290 L300 F319 L353 Y358 I384 I386	H289-Y361 CarbonylContact O-C 3.59Å; H289-Y361 VanDerWaalsContact O-CA 3.26Å; H289-Y361 WeakPolarHBondContact O-CA 3.43Å; A290-Y361 HydrophobicContact CB-CD1 3.73Å; A290-Y361 HydrophobicContact CB-CE1 3.54Å; L300-Y361 HydrophobicContact CD1-CD1 4.03Å; L300-Y361 HydrophobicContact CD1-CE1 3.78Å; F319-Y361 HydrophobicContact CD1-CD1 4.19Å; F319-Y361 AromaticContact CD1-CE1 3.77Å; F319-Y361 HydrophobicContact CD1-CE1 3.77Å; F319-Y361 HydrophobicContact CE1-CD1 4.01Å; F319-Y361 AromaticContact CE1-CE1 3.14Å; F319-Y361 HydrophobicContact CE1-CE1 3.14Å; F319-Y361 HydrophobicContact CE1-CE2 4.49Å; F319-Y361 AromaticContact CE1-CZ 3.45Å; F319-Y361 VanDerWaalsContact CE1-CZ 3.45Å; F319-Y361 WeakPolarHBondContact CE1-OH 3.31Å; F319-Y361 HydrophobicContact CE2-CE1 4.19Å; F319-Y361 HydrophobicContact CZ-CD1 4.42Å; F319-Y361 AromaticContact CZ-CE1 3.39Å; F319-Y361 HydrophobicContact CZ-CE1 3.39Å; F319-Y361 AromaticContact CZ-CZ 3.87Å; L353-Y361 HydrophobicContact CD2-CE2 4.28Å; Y358-Y361 WeakPolarHBondContact CB-OH 3.03Å; Y361-I384 PolarHBondContact N-O 2.64Å; Y361-I384 PolarHBondContact O-N 3.35Å; Y361-I386 HydrophobicContact CD2-CD1 3.98Å; Y361-I386 HydrophobicContact CD2-CG1 4.08Å; Y361-I386 HydrophobicContact CE2-CD1 3.9Å; Y361-I386 HydrophobicContact CE2-CG1 3.8Å
362	Y	89.9	Confident	86.3	Confident	101 Å²	101	43 Å²	43	40%	0.396	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.9	170.7	-68.9	-93.7	0	0	0	108.8	H289 I291 F383	H289-Y362 PolarHBondContact N-O 3.44Å; H289-Y362 PolarHBondContact O-N 2.9Å; I291-Y362 HydrophobicContact CD1-CD2 3.99Å; I291-Y362 HydrophobicContact CD1-CE2 3.44Å; I291-Y362 VanDerWaalsContact CD1-CE2 3.44Å; I291-Y362 HydrophobicContact CG1-CD2 4.29Å; I291-Y362 HydrophobicContact CG1-CE2 4.17Å; Y362-F383 AromaticContact CD1-CD2 3.74Å; Y362-F383 HydrophobicContact CD1-CD2 3.74Å; Y362-F383 HydrophobicContact CD1-CE2 4.46Å; Y362-F383 HydrophobicContact CD2-CD2 4.24Å; Y362-F383 HydrophobicContact CD2-CE2 4.34Å; Y362-F383 AromaticContact CE1-CD2 3.27Å; Y362-F383 HydrophobicContact CE1-CD2 3.27Å; Y362-F383 AromaticContact CE1-CE2 3.73Å; Y362-F383 HydrophobicContact CE1-CE2 3.73Å; Y362-F383 HydrophobicContact CE1-CG 4.25Å; Y362-F383 AromaticContact CE2-CD2 3.79Å; Y362-F383 HydrophobicContact CE2-CD2 3.79Å; Y362-F383 AromaticContact CE2-CE2 3.55Å; Y362-F383 HydrophobicContact CE2-CE2 3.55Å; Y362-F383 HydrophobicContact CG-CD2 4.21Å; Y362-F383 AromaticContact CZ-CD2 3.32Å; Y362-F383 AromaticContact CZ-CE2 3.22Å; Y362-F383 WeakPolarHBondContact OH-CE2 3.38Å
363	I	88.2	Confident	86	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.2	176.4	-60.7	117.5	0	0	0	108.4	I285 F287 I288 I320 I347 I365 L382 I384	I285-I363 HydrophobicContact CG2-CG2 3.95Å; F287-I363 WeakPolarHBondContact O-CA 3.43Å; I288-I363 HydrophobicContact CB-CG1 4.29Å; I288-I363 HydrophobicContact CG1-CG1 4.02Å; I288-I363 HydrophobicContact CG1-CG2 4.29Å; I288-I363 HydrophobicContact CG2-CG1 3.89Å; I320-I363 HydrophobicContact CD1-CD1 3.21Å; I320-I363 HydrophobicContact CD1-CG1 3.56Å; I347-I363 HydrophobicContact CD1-CD1 4.4Å; I363-I365 HydrophobicContact CG2-CG1 3.98Å; I363-L382 HydrophobicContact CB-CB 4.26Å; I363-L382 HydrophobicContact CD1-CD2 4.3Å; I363-L382 PolarHBondContact N-O 2.88Å; I363-L382 PolarHBondContact O-N 2.95Å; I363-I384 HydrophobicContact CD1-CD1 3.31Å; I363-I384 HydrophobicContact CD1-CG1 3.85Å
364	Q	88	Confident	85.7	Confident	47 Å²	47	51.3 Å²	51.3	22%	0.22	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.2	169	-178.6	-174.3	56.2	0	0	109.1	T286 F287 L380 T381	T286-Q364 PolarHBondContact N-O 2.8Å; T286-Q364 WeakPolarHBondContact OG1-CB 3.49Å; T286-Q364 WeakPolarHBondContact OG1-CG 3.38Å; T286-Q364 PolarHBondContact OG1-O 2.8Å; T286-Q364 PolarHBondContact OG1-OE1 3.14Å; F287-Q364 HydrophobicContact CD1-CB 3.94Å; F287-Q364 HydrophobicContact CE1-CB 3.51Å; F287-Q364 HydrophobicContact CE1-CG 4.19Å; F287-Q364 HydrophobicContact CE2-CB 4.12Å; F287-Q364 HydrophobicContact CG-CB 4.44Å; F287-Q364 HydrophobicContact CZ-CB 3.59Å; F287-Q364 PolarHBondContact O-N 3.37Å; F287-Q364 VanDerWaalsContact O-N 3.09Å; Q364-L380 WeakPolarHBondContact CA-O 3.28Å; Q364-T381 HydrophobicContact CG-CG2 4.49Å
365	I	86.7	Confident	85.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.5	179.5	-57.7	174.3	0	0	0	107	F246 L267 Y283 N284 I322 I363 T379 L380	F246-I365 HydrophobicContact CZ-CG2 4.42Å; L267-I365 HydrophobicContact CD1-CD1 3.48Å; L267-I365 VanDerWaalsContact CD1-CD1 3.48Å; Y283-I365 HydrophobicContact CD1-CG2 4.49Å; N284-I365 CarbonylContact O-C 3.54Å; N284-I365 WeakPolarHBondContact O-CA 3.19Å; I322-I365 HydrophobicContact CD1-CB 4.44Å; I322-I365 HydrophobicContact CD1-CD1 3.9Å; I322-I365 HydrophobicContact CD1-CG1 3.94Å; I322-I365 HydrophobicContact CD1-CG2 3.73Å; I363-I365 HydrophobicContact CG2-CG1 3.98Å; I365-T379 CarbonylContact O-C 3.58Å; I365-T379 VanDerWaalsContact O-CA 3.32Å; I365-T379 WeakPolarHBondContact O-CA 3.37Å; I365-L380 HydrophobicContact CB-CB 4.27Å; I365-L380 HydrophobicContact CD1-CD2 4.29Å; I365-L380 PolarHBondContact N-O 3.39Å; I365-L380 PolarHBondContact O-N 2.78Å
366	I	85.8	Confident	85.5	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.1	174.2	-166.1	167.4	0	0	0	109.3	Y283 N284 T286 M368 T377 G378 T379	Y283-I366 WeakPolarHBondContact CA-O 3.4Å; N284-I366 HydrophobicContact CB-CG2 3.98Å; N284-I366 PolarHBondContact N-O 2.87Å; N284-I366 WeakPolarHBondContact O-CG2 3.48Å; N284-I366 PolarHBondContact O-N 2.89Å; T286-I366 HydrophobicContact CG2-CB 3.61Å; T286-I366 HydrophobicContact CG2-CD1 4.35Å; T286-I366 HydrophobicContact CG2-CG2 3.61Å; I366-M368 HydrophobicContact CD1-CG 4.35Å; I366-M368 HydrophobicContact CG1-CG 4.03Å; I366-M368 HydrophobicContact CG2-CG 4.37Å; I366-M368 HydrophobicContact CG2-SD 4.45Å; I366-T377 HydrophobicContact CD1-CG2 3.94Å; I366-T377 HydrophobicContact CG1-CG2 4.29Å; I366-G378 CarbonylContact C-O 3.35Å; I366-G378 WeakPolarHBondContact CA-O 3.49Å; I366-T379 HydrophobicContact CG1-CG2 4.32Å
367	A	85.8	Confident	85.6	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.5	165.2	0	0	0	0	0	107.6	P244 F246 A270 I281 Y283 T377 G378	P244-A367 HydrophobicContact CB-CB 3.87Å; F246-A367 HydrophobicContact CD2-CB 4.45Å; F246-A367 HydrophobicContact CE2-CB 3.44Å; F246-A367 VanDerWaalsContact CE2-CB 3.44Å; F246-A367 HydrophobicContact CZ-CB 3.62Å; A270-A367 HydrophobicContact CB-CB 3.59Å; I281-A367 HydrophobicContact CG2-CB 3.68Å; Y283-A367 HydrophobicContact CD1-CB 3.94Å; Y283-A367 HydrophobicContact CE1-CB 3.85Å; A367-T377 CarbonylContact O-C 3.58Å; A367-T377 WeakPolarHBondContact O-CA 3.49Å; A367-G378 PolarHBondContact N-O 2.78Å; A367-G378 PolarHBondContact O-N 2.91Å
368	M	86.4	Confident	85.8	Confident	48 Å²	48	55.8 Å²	55.8	24%	0.236	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.7	179.4	-53.4	177.8	47.6	0	0	108.3	H282 I366 K376 T377	H282-M368 PolarHBondContact N-O 3.18Å; H282-M368 PolarHBondContact O-N 3.48Å; I366-M368 HydrophobicContact CD1-CG 4.35Å; I366-M368 HydrophobicContact CG1-CG 4.03Å; I366-M368 HydrophobicContact CG2-CG 4.37Å; I366-M368 HydrophobicContact CG2-SD 4.45Å; M368-K376 WeakPolarHBondContact CA-O 3.3Å; M368-T377 HydrophobicContact CB-CG2 4.2Å; M368-T377 HydrophobicContact CG-CG2 3.71Å
369	D	85.7	Confident	86	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.011	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	165.7	165.6	67.8	52.1	0	0	0	111	N240 P244 N278 S371 R375 K376	N240-D369 PolarHBondContact ND2-OD2 3.31Å; N240-D369 PolarHBondContact OD1-OD2 3.22Å; P244-D369 HydrophobicContact CG-CB 4.36Å; N278-D369 WeakPolarHBondContact O-CB 3.27Å; D369-S371 WeakPolarHBondContact OD1-CB 2.96Å; D369-S371 PolarHBondContact OD1-N 2.05Å; D369-R375 VanDerWaalsContact OD1-CA 3.26Å; D369-R375 WeakPolarHBondContact OD1-CA 3.22Å; D369-K376 PolarHBondContact N-O 3.19Å; D369-K376 VanDerWaalsContact N-O 3.13Å; D369-K376 WeakPolarHBondContact OD2-CA 3.13Å; D369-K376 WeakPolarHBondContact OD2-CB 3.04Å; D369-K376 PolarHBondContact OD2-N 3.49Å
370	Q	83	Confident	86	Confident	85 Å²	85	54.7 Å²	54.7	40%	0.397	26%	0.264	S	S	.	.			trans	-97.2	19.3	177.7	-70.4	-167.4	11.5	0	0	113.5	I277 L280 H282 I372	I277-Q370 HydrophobicContact CG2-CB 3.7Å; I277-Q370 WeakPolarHBondContact CG2-O 3.28Å; I277-Q370 CarbonylContact O-C 3.56Å; I277-Q370 PolarHBondContact O-N 2.78Å; L280-Q370 HydrophobicContact CB-CB 4.46Å; L280-Q370 HydrophobicContact CD2-CG 4.49Å; L280-Q370 VanDerWaalsContact CD2-OE1 3.29Å; L280-Q370 HydrophobicContact CG-CG 4.43Å; L280-Q370 WeakPolarHBondContact O-CG 2.93Å; L280-Q370 PolarHBondContact O-N 2.82Å; L280-Q370 VanDerWaalsContact O-N 3.09Å; H282-Q370 HydrophobicContact CB-CG 4.5Å; Q370-I372 PolarHBondContact O-N 3.23Å
371	S	82.6	Confident	86	Confident	11 Å²	11	55.2 Å²	55.2	8%	0.077	27%	0.27	C	S	.	.			trans	-55.8	140.6	-179.7	-169.7	0	0	0	0	112.1	N240 N278 D369 R375	N240-S371 WeakPolarHBondContact ND2-CB 3.25Å; N278-S371 PolarHBondContact OD1-OG 2.93Å; D369-S371 WeakPolarHBondContact OD1-CB 2.96Å; D369-S371 PolarHBondContact OD1-N 2.05Å; S371-R375 WeakPolarHBondContact O-CG 3.11Å
372	I	77.3	Confident	86.1	Confident	137 Å²	137	54.8 Å²	54.8	70%	0.703	27%	0.268	S	S	*	.	S	Bend	trans	-75.8	-39.1	-173.5	-64.7	157.5	0	0	0	111.4	Q370	Q370-I372 PolarHBondContact O-N 3.23Å
373	N	75.1	Confident	86.2	Confident	130 Å²	130	51.8 Å²	51.8	70%	0.695	26%	0.257	S	S	*	.	S	Bend	trans	-105.9	-31	-169.1	-65.4	-36.4	0	0	0	113.5
374	H	79.5	Confident	86.2	Confident	143 Å²	143	52 Å²	52	66%	0.662	26%	0.259	S	S	*	.			trans	-144.1	72	-172.5	-68.1	-67	0	0	0	111	N240 K376	N240-H374 PolarHBondContact ND2-O 3.45Å; H374-K376 PolarHBondContact O-N 3.25Å
375	R	84.4	Confident	86.3	Confident	167 Å²	167	53 Å²	53	63%	0.63	26%	0.263	S	S	*	.			trans	-63.9	128.1	176.2	-69.6	-175	-98.3	-171	-5.8	111.3	D369 S371	D369-R375 VanDerWaalsContact OD1-CA 3.26Å; D369-R375 WeakPolarHBondContact OD1-CA 3.22Å; S371-R375 WeakPolarHBondContact O-CG 3.11Å
376	K	88.4	Confident	86.5	Confident	62 Å²	62	53.4 Å²	53.4	27%	0.27	27%	0.265	S	S	.	.			trans	-107	157.1	171.2	-73.3	164.5	166.2	178	0	109.9	N240 D241 N242 I243 M368 D369 H374	N240-K376 WeakPolarHBondContact O-CE 3.36Å; N240-K376 PolarHBondContact O-NZ 2.62Å; D241-K376 PolarHBondContact O-NZ 2.92Å; N242-K376 WeakPolarHBondContact O-CD 3.43Å; I243-K376 HydrophobicContact CB-CB 4.31Å; I243-K376 HydrophobicContact CG2-CB 3.86Å; I243-K376 HydrophobicContact CG2-CD 3.69Å; I243-K376 HydrophobicContact CG2-CG 4.01Å; M368-K376 WeakPolarHBondContact CA-O 3.3Å; D369-K376 PolarHBondContact N-O 3.19Å; D369-K376 VanDerWaalsContact N-O 3.13Å; D369-K376 WeakPolarHBondContact OD2-CA 3.13Å; D369-K376 WeakPolarHBondContact OD2-CB 3.04Å; D369-K376 PolarHBondContact OD2-N 3.49Å; H374-K376 PolarHBondContact O-N 3.25Å
377	T	90.3	Very high	86.7	Confident	65 Å²	65	53.6 Å²	53.6	40%	0.399	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.4	-170.8	66.2	0	0	0	0	111.5	I366 A367 M368	I366-T377 HydrophobicContact CD1-CG2 3.94Å; I366-T377 HydrophobicContact CG1-CG2 4.29Å; A367-T377 CarbonylContact O-C 3.58Å; A367-T377 WeakPolarHBondContact O-CA 3.49Å; M368-T377 HydrophobicContact CB-CG2 4.2Å; M368-T377 HydrophobicContact CG-CG2 3.71Å
378	G	88.3	Confident	86.9	Confident	8 Å²	8	55.3 Å²	55.3	8%	0.082	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	153.7	166.6	0	0	0	0	0	111.2	P244 I366 A367	P244-G378 WeakPolarHBondContact O-CA 3.35Å; I366-G378 CarbonylContact C-O 3.35Å; I366-G378 WeakPolarHBondContact CA-O 3.49Å; A367-G378 PolarHBondContact N-O 2.78Å; A367-G378 PolarHBondContact O-N 2.91Å
379	T	91	Very high	87.1	Confident	61 Å²	61	55.2 Å²	55.2	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.2	178.9	58.3	0	0	0	0	111.8	I365 I366	I365-T379 CarbonylContact O-C 3.58Å; I365-T379 VanDerWaalsContact O-CA 3.32Å; I365-T379 WeakPolarHBondContact O-CA 3.37Å; I366-T379 HydrophobicContact CG1-CG2 4.32Å
380	L	89.6	Confident	87.3	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124	168.4	173.8	63.6	0	0	0	108.2	F246 S249 Q364 I365	F246-L380 HydrophobicContact CB-CB 4.34Å; F246-L380 HydrophobicContact CB-CD1 4.36Å; F246-L380 HydrophobicContact CD1-CB 3.91Å; F246-L380 HydrophobicContact CD1-CD2 3.99Å; F246-L380 HydrophobicContact CD1-CG 4.37Å; F246-L380 HydrophobicContact CD2-CB 3.65Å; F246-L380 HydrophobicContact CE1-CB 3.98Å; F246-L380 HydrophobicContact CE1-CD2 3.94Å; F246-L380 HydrophobicContact CE2-CB 3.72Å; F246-L380 HydrophobicContact CG-CB 3.72Å; F246-L380 HydrophobicContact CG-CD1 4.47Å; F246-L380 HydrophobicContact CG-CG 4.49Å; F246-L380 HydrophobicContact CZ-CB 3.86Å; F246-L380 HydrophobicContact CZ-CD2 4.49Å; S249-L380 CarbonylContact O-C 3.56Å; S249-L380 WeakPolarHBondContact O-CA 3.38Å; Q364-L380 WeakPolarHBondContact CA-O 3.28Å; I365-L380 HydrophobicContact CB-CB 4.27Å; I365-L380 HydrophobicContact CD1-CD2 4.29Å; I365-L380 PolarHBondContact N-O 3.39Å; I365-L380 PolarHBondContact O-N 2.78Å
381	T	91.2	Very high	87.6	Confident	52 Å²	52	54.8 Å²	54.8	32%	0.319	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.2	166.7	69.5	0	0	0	0	109	S249 N250 Y251 Q364	S249-T381 PolarHBondContact O-N 3.39Å; N250-T381 CarbonylContact C-O 3.46Å; N250-T381 WeakPolarHBondContact CA-O 3.42Å; N250-T381 PolarHBondContact OD1-OG1 2.8Å; Y251-T381 PolarHBondContact N-O 3.13Å; Q364-T381 HydrophobicContact CG-CG2 4.49Å
382	L	90.5	Very high	88	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.4	179.2	-179.7	64.4	0	0	0	108.7	Y251 I253 L267 I347 I363 I384	Y251-L382 HydrophobicContact CD1-CD1 3.94Å; Y251-L382 CarbonylContact O-C 3.6Å; Y251-L382 WeakPolarHBondContact O-CA 3.35Å; I253-L382 HydrophobicContact CD1-CD1 4.16Å; I253-L382 HydrophobicContact CD1-CD2 4.35Å; I253-L382 HydrophobicContact CG1-CD1 4.02Å; I253-L382 HydrophobicContact CG2-CD1 4.29Å; L267-L382 HydrophobicContact CD1-CD2 4.14Å; L267-L382 HydrophobicContact CD2-CD1 3.76Å; L267-L382 HydrophobicContact CD2-CD2 3.84Å; L267-L382 HydrophobicContact CD2-CG 4.46Å; I347-L382 HydrophobicContact CD1-CD2 3.64Å; I363-L382 HydrophobicContact CB-CB 4.26Å; I363-L382 HydrophobicContact CD1-CD2 4.3Å; I363-L382 PolarHBondContact N-O 2.88Å; I363-L382 PolarHBondContact O-N 2.95Å; L382-I384 HydrophobicContact CD2-CD1 4.09Å; L382-I384 HydrophobicContact CD2-CG1 4.19Å; L382-I384 HydrophobicContact CG-CD1 4.42Å; L382-I384 HydrophobicContact CG-CG1 3.98Å
383	F	91.6	Very high	88.7	Confident	38 Å²	38	54.7 Å²	54.7	17%	0.167	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.8	171.5	-179.2	-112	0	0	0	109.1	Y251 K252 I253 Q360 Y362 E385	Y251-F383 PolarHBondContact O-N 2.84Å; K252-F383 CarbonylContact C-O 3.41Å; K252-F383 VanDerWaalsContact CA-O 3.25Å; K252-F383 WeakPolarHBondContact CA-O 3.28Å; K252-F383 HydrophobicContact CB-CD1 4.38Å; K252-F383 HydrophobicContact CD-CD1 3.66Å; K252-F383 HydrophobicContact CD-CE1 4.06Å; K252-F383 HydrophobicContact CG-CD1 3.76Å; I253-F383 PolarHBondContact N-O 3.43Å; Q360-F383 HydrophobicContact CB-CE2 4.16Å; Q360-F383 HydrophobicContact CB-CZ 4.47Å; Q360-F383 HydrophobicContact CG-CE2 3.93Å; Q360-F383 HydrophobicContact CG-CZ 3.74Å; Y362-F383 AromaticContact CD1-CD2 3.74Å; Y362-F383 HydrophobicContact CD1-CD2 3.74Å; Y362-F383 HydrophobicContact CD1-CE2 4.46Å; Y362-F383 HydrophobicContact CD2-CD2 4.24Å; Y362-F383 HydrophobicContact CD2-CE2 4.34Å; Y362-F383 AromaticContact CE1-CD2 3.27Å; Y362-F383 HydrophobicContact CE1-CD2 3.27Å; Y362-F383 AromaticContact CE1-CE2 3.73Å; Y362-F383 HydrophobicContact CE1-CE2 3.73Å; Y362-F383 HydrophobicContact CE1-CG 4.25Å; Y362-F383 AromaticContact CE2-CD2 3.79Å; Y362-F383 HydrophobicContact CE2-CD2 3.79Å; Y362-F383 AromaticContact CE2-CE2 3.55Å; Y362-F383 HydrophobicContact CE2-CE2 3.55Å; Y362-F383 HydrophobicContact CG-CD2 4.21Å; Y362-F383 AromaticContact CZ-CD2 3.32Å; Y362-F383 AromaticContact CZ-CE2 3.22Å; Y362-F383 WeakPolarHBondContact OH-CE2 3.38Å; F383-E385 HydrophobicContact CE1-CB 4.23Å
384	I	89.7	Confident	89.7	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.5	177.6	-50.9	-173.3	0	0	0	107.8	I253 I255 I320 I347 Q360 Y361 I363 L382 I386	I253-I384 HydrophobicContact CD1-CD1 4.04Å; I253-I384 HydrophobicContact CD1-CG1 3.98Å; I253-I384 HydrophobicContact CG1-CB 4.29Å; I253-I384 HydrophobicContact CG1-CD1 4.39Å; I253-I384 HydrophobicContact CG1-CG1 3.78Å; I253-I384 HydrophobicContact CG1-CG2 4.22Å; I253-I384 WeakPolarHBondContact O-CA 3.49Å; I255-I384 HydrophobicContact CB-CG2 4.18Å; I255-I384 HydrophobicContact CD1-CD1 4.14Å; I255-I384 HydrophobicContact CD1-CG2 3.58Å; I255-I384 HydrophobicContact CG1-CG2 3.79Å; I320-I384 HydrophobicContact CD1-CD1 4.44Å; I347-I384 HydrophobicContact CD1-CD1 3.59Å; Q360-I384 CarbonylContact C-O 3.48Å; Q360-I384 WeakPolarHBondContact CA-O 3.32Å; Y361-I384 PolarHBondContact N-O 2.64Å; Y361-I384 PolarHBondContact O-N 3.35Å; I363-I384 HydrophobicContact CD1-CD1 3.31Å; I363-I384 HydrophobicContact CD1-CG1 3.85Å; L382-I384 HydrophobicContact CD2-CD1 4.09Å; L382-I384 HydrophobicContact CD2-CG1 4.19Å; L382-I384 HydrophobicContact CG-CD1 4.42Å; L382-I384 HydrophobicContact CG-CG1 3.98Å; I384-I386 HydrophobicContact CG2-CD1 3.81Å
385	E	90.4	Very high	90.3	Very high	67 Å²	67	47.2 Å²	47.2	31%	0.313	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.1	169.6	-177.2	175.6	179.5	0	0	108.3	K252 I253 I254 I255 F383	K252-E385 WeakPolarHBondContact CE-OE2 3.5Å; K252-E385 IonicContact NZ-OE2 3.4Å; K252-E385 PolarHBondContact NZ-OE2 3.44Å; I253-E385 PolarHBondContact O-N 3.28Å; I254-E385 VanDerWaalsContact CA-O 3.29Å; I254-E385 WeakPolarHBondContact CA-O 3.1Å; I254-E385 HydrophobicContact CG1-CB 4.37Å; I255-E385 PolarHBondContact N-O 2.99Å; F383-E385 HydrophobicContact CE1-CB 4.23Å
386	I	89.9	Confident	90.8	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.1	177.2	-52.4	-51.4	0	0	0	108.1	I255 E257 L353 R355 H359 Y361 I384 D388	I255-I386 HydrophobicContact CB-CD1 4.21Å; I255-I386 CarbonylContact O-C 3.47Å; I255-I386 WeakPolarHBondContact O-CA 3.42Å; E257-I386 HydrophobicContact CB-CG2 4.08Å; L353-I386 HydrophobicContact CD1-CD1 3.65Å; L353-I386 HydrophobicContact CD2-CD1 4.39Å; L353-I386 HydrophobicContact CG-CD1 4.45Å; R355-I386 HydrophobicContact CB-CB 4.43Å; R355-I386 HydrophobicContact CB-CG2 3.8Å; R355-I386 HydrophobicContact CG-CB 4.07Å; R355-I386 HydrophobicContact CG-CG2 3.94Å; H359-I386 PolarHBondContact O-N 3.29Å; Y361-I386 HydrophobicContact CD2-CD1 3.98Å; Y361-I386 HydrophobicContact CD2-CG1 4.08Å; Y361-I386 HydrophobicContact CE2-CD1 3.9Å; Y361-I386 HydrophobicContact CE2-CG1 3.8Å; I384-I386 HydrophobicContact CG2-CD1 3.81Å; I386-D388 PolarHBondContact O-N 3.28Å
387	A	89.8	Confident	91	Very high	34 Å²	34	41.6 Å²	41.6	28%	0.281	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.7	175.1	0	0	0	0	0	110	I254 I255 E257	I254-A387 HydrophobicContact CG2-CB 3.65Å; I255-A387 PolarHBondContact O-N 3.25Å; E257-A387 PolarHBondContact N-O 3.49Å
388	D	90.7	Very high	91.2	Very high	35 Å²	35	45 Å²	45	19%	0.187	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-58.2	137.3	175.1	-173.2	69.4	0	0	0	112.4	R355 I386 D425 N428	R355-D388 WeakPolarHBondContact CD-OD1 2.85Å; R355-D388 IonicContact CZ-OD1 3.88Å; R355-D388 IonicContact NE-OD1 3.61Å; R355-D388 PolarHBondContact NE-OD1 2.88Å; R355-D388 IonicContact NH2-OD1 3.78Å; R355-D388 PolarHBondContact NH2-OD1 3.46Å; I386-D388 PolarHBondContact O-N 3.28Å; D388-D425 HydrophobicContact CB-CB 4.02Å; D388-D425 VanDerWaalsContact CG-N 3.32Å; D388-D425 PolarHBondContact OD1-N 3.28Å; D388-D425 VanDerWaalsContact OD1-N 3.16Å; D388-D425 PolarHBondContact OD2-N 2.8Å; D388-D425 VanDerWaalsContact OD2-N 3.11Å; D388-N428 WeakPolarHBondContact OD2-CB 3.31Å; D388-N428 PolarHBondContact OD2-ND2 2.78Å
389	I	89.5	Confident	91.2	Very high	47 Å²	47	51.1 Å²	51.1	24%	0.241	26%	0.261	C	S	.	.			trans	-125.4	153.9	171	61.3	168.3	0	0	0	107.7	S256 E257 D391	S256-I389 WeakPolarHBondContact OG-CG2 3.14Å; E257-I389 HydrophobicContact CB-CD1 3.95Å; E257-I389 HydrophobicContact CB-CG1 3.9Å; E257-I389 HydrophobicContact CG-CD1 3.83Å; E257-I389 HydrophobicContact CG-CG1 4.01Å; E257-I389 WeakPolarHBondContact OE2-CG1 3Å; I389-D391 VanDerWaalsContact C-N 3.25Å; I389-D391 HydrophobicContact CD1-CB 4.03Å; I389-D391 HydrophobicContact CG1-CB 4Å; I389-D391 PolarHBondContact O-N 3.21Å
390	N	91.4	Very high	91.3	Very high	19 Å²	19	53.8 Å²	53.8	10%	0.102	27%	0.269	C	S	.	.	S	Bend	trans	-75.5	75.6	179.4	-165.8	34.2	0	0	0	110.8	D424 N428 D493 P497 K499	N390-D424 WeakPolarHBondContact CA-OD2 3.19Å; N390-D424 PolarHBondContact OD1-OD2 3.22Å; N390-D424 VanDerWaalsContact OD1-OD2 3.11Å; N390-N428 HydrophobicContact CB-CB 4.16Å; N390-N428 PolarHBondContact N-ND2 2.95Å; N390-D493 PolarHBondContact ND2-OD1 3.44Å; N390-D493 PolarHBondContact ND2-OD2 2.88Å; N390-P497 PolarHBondContact ND2-O 3.08Å; N390-K499 PolarHBondContact ND2-N 3.46Å; N390-K499 WeakPolarHBondContact O-CE 3.23Å; N390-K499 PolarHBondContact O-NZ 2.86Å
391	D	87.8	Confident	91.6	Very high	59 Å²	59	54.6 Å²	54.6	32%	0.316	27%	0.272	S	S	.	.			trans	-103.5	-20.2	-175	101.8	-29.6	0	0	0	113.9	I389 D424 K499	I389-D391 VanDerWaalsContact C-N 3.25Å; I389-D391 HydrophobicContact CD1-CB 4.03Å; I389-D391 HydrophobicContact CG1-CB 4Å; I389-D391 PolarHBondContact O-N 3.21Å; D391-D424 PolarHBondContact N-OD2 3.34Å; D391-K499 PolarHBondContact O-NZ 3.29Å
392	Q	90.8	Very high	91.8	Very high	60 Å²	60	56.9 Å²	56.9	28%	0.28	28%	0.282	S	S	.	.	S	Bend	trans	-88.7	172.8	173.5	-58	-60	-51.4	0	0	112.1	E356 I423 D424 K499	E356-Q392 HydrophobicContact CG-CG 4.17Å; Q392-I423 HydrophobicContact CB-CG1 4.16Å; Q392-I423 HydrophobicContact CG-CD1 3.97Å; Q392-I423 HydrophobicContact CG-CG1 3.63Å; Q392-D424 WeakPolarHBondContact CB-OD1 3.1Å; Q392-D424 WeakPolarHBondContact CG-OD1 3.35Å; Q392-D424 PolarHBondContact N-OD1 2.73Å; Q392-D424 PolarHBondContact N-OD2 2.53Å; Q392-K499 WeakPolarHBondContact O-CD 3.49Å
393	L	92.8	Very high	92.1	Very high	86 Å²	86	58.6 Å²	58.6	45%	0.45	29%	0.29	S	S	.	.			trans	-121.3	139	178.2	-77.5	158.7	0	0	0	106.8	I395 K499 T501	L393-I395 WeakPolarHBondContact O-CG1 3.5Å; L393-I395 PolarHBondContact O-N 2.81Å; L393-K499 HydrophobicContact CD2-CB 3.71Å; L393-K499 HydrophobicContact CD2-CD 4.18Å; L393-K499 HydrophobicContact CD2-CG 4.37Å; L393-K499 HydrophobicContact CG-CD 4.48Å; L393-T501 HydrophobicContact CB-CG2 3.89Å; L393-T501 HydrophobicContact CD2-CG2 4.12Å; L393-T501 HydrophobicContact CG-CG2 4.49Å
394	P	95.2	Very high	92.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.			trans	-56.4	127.9	170.4	-24.9	31.8	0	0	0	110.4	A420 D422 I431 A491 D493 T501	P394-A420 HydrophobicContact CB-CB 4.44Å; P394-D422 WeakPolarHBondContact CD-OD2 3.32Å; P394-D422 VanDerWaalsContact CG-OD2 3.31Å; P394-D422 WeakPolarHBondContact CG-OD2 3.35Å; P394-I431 HydrophobicContact CB-CD1 4.07Å; P394-I431 HydrophobicContact CB-CG1 4.07Å; P394-I431 HydrophobicContact CG-CG1 4.26Å; P394-A491 HydrophobicContact CB-CB 4.08Å; P394-D493 HydrophobicContact CG-CB 4.07Å; P394-T501 VanDerWaalsContact O-CB 3.29Å; P394-T501 WeakPolarHBondContact O-CB 3.28Å; P394-T501 WeakPolarHBondContact O-CG2 2.89Å; P394-T501 PolarHBondContact O-OG1 2.81Å
395	I	93.1	Very high	92.4	Very high	115 Å²	115	61.3 Å²	61.3	59%	0.59	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.4	-177.6	-50.4	-175.5	0	0	0	109.9	L393 A420 N421	L393-I395 WeakPolarHBondContact O-CG1 3.5Å; L393-I395 PolarHBondContact O-N 2.81Å; I395-A420 CarbonylContact O-C 3.53Å; I395-A420 WeakPolarHBondContact O-CA 3.38Å; I395-N421 PolarHBondContact N-O 3.21Å; I395-N421 PolarHBondContact O-N 2.86Å
396	F	95.4	Very high	92.4	Very high	22 Å²	22	62.4 Å²	62.4	10%	0.096	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	144.6	172.1	-75.1	-79.2	0	0	0	112.1	Y398 Y401 V418 K419 A420 Y433 I489 A491 T503	F396-Y398 PolarHBondContact O-N 3.35Å; F396-Y401 HydrophobicContact CD1-CE2 4.34Å; F396-V418 HydrophobicContact CD1-CB 4.3Å; F396-V418 HydrophobicContact CE1-CB 4.02Å; F396-V418 HydrophobicContact CE1-CG2 4.02Å; F396-K419 WeakPolarHBondContact CA-O 3.42Å; F396-A420 HydrophobicContact CD1-CB 3.84Å; F396-A420 HydrophobicContact CD2-CB 4.5Å; F396-A420 HydrophobicContact CE1-CB 4.1Å; F396-A420 HydrophobicContact CG-CB 4.07Å; F396-Y433 HydrophobicContact CE1-CD1 4.03Å; F396-Y433 AromaticContact CE1-CE1 3.85Å; F396-Y433 HydrophobicContact CE1-CE1 3.85Å; F396-Y433 HydrophobicContact CZ-CD1 4.35Å; F396-Y433 HydrophobicContact CZ-CE1 4.44Å; F396-I489 HydrophobicContact CZ-CG2 4.23Å; F396-A491 HydrophobicContact CD2-CB 4.35Å; F396-A491 HydrophobicContact CE1-CB 3.98Å; F396-A491 HydrophobicContact CE2-CB 3.5Å; F396-A491 HydrophobicContact CZ-CB 3.29Å; F396-T503 HydrophobicContact CD1-CG2 3.73Å; F396-T503 HydrophobicContact CD2-CG2 3.83Å; F396-T503 HydrophobicContact CE1-CG2 3.69Å; F396-T503 HydrophobicContact CE2-CG2 3.78Å; F396-T503 HydrophobicContact CG-CG2 3.79Å; F396-T503 HydrophobicContact CZ-CG2 3.69Å
397	E	91.9	Very high	92.5	Very high	89 Å²	89	62.1 Å²	62.1	42%	0.416	31%	0.308	S	S	.	.	S	Bend	trans	-60.2	-32.1	175.8	-70.3	-179.7	175.7	0	0	112.3	K419	E397-K419 HydrophobicContact CG-CB 4.44Å; E397-K419 PolarHBondContact N-O 3.33Å; E397-K419 WeakPolarHBondContact OE1-CD 3.21Å; E397-K419 IonicContact OE1-NZ 2.62Å; E397-K419 PolarHBondContact OE1-NZ 3.43Å
398	Y	93.7	Very high	92.5	Very high	137 Å²	137	64 Å²	64	54%	0.537	31%	0.314	S	S	.	.			trans	-132.9	144.8	176.9	-50.2	-73.9	0	0	0	112.2	F396 Q400 Y401 T503	F396-Y398 PolarHBondContact O-N 3.35Å; Y398-Q400 VanDerWaalsContact C-N 3.27Å; Y398-Q400 PolarHBondContact O-N 3.45Å; Y398-Y401 HydrophobicContact CD2-CD1 4.05Å; Y398-Y401 AromaticContact CD2-CE1 3.46Å; Y398-Y401 HydrophobicContact CD2-CE1 3.46Å; Y398-Y401 VanDerWaalsContact CD2-CE1 3.46Å; Y398-Y401 HydrophobicContact CD2-CE2 4.46Å; Y398-Y401 AromaticContact CD2-CZ 3.67Å; Y398-Y401 HydrophobicContact CE2-CE1 4.21Å; Y398-Y401 HydrophobicContact CG-CE1 4.42Å; Y398-Y401 PolarHBondContact N-OH 2.69Å; Y398-Y401 WeakPolarHBondContact O-CE2 3.34Å; Y398-T503 PolarHBondContact O-OG1 3.34Å
399	N	88.4	Confident	92.5	Very high	136 Å²	136	63.2 Å²	63.2	73%	0.727	31%	0.311	S	S	*	.	S	Bend	trans	-71.1	-23	176.4	64.1	-18.2	0	0	0	113.4	T503	N399-T503 VanDerWaalsContact C-OG1 3.27Å; N399-T503 PolarHBondContact O-OG1 3.18Å; N399-T503 VanDerWaalsContact O-OG1 3.06Å
400	Q	93.6	Very high	92.6	Very high	118 Å²	118	65.3 Å²	65.3	55%	0.551	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.7	171.2	67.6	-176.4	15.7	0	0	110	Y398 N504	Y398-Q400 VanDerWaalsContact C-N 3.27Å; Y398-Q400 PolarHBondContact O-N 3.45Å; Q400-N504 CarbonylContact C-O 3.57Å; Q400-N504 WeakPolarHBondContact CA-O 3.5Å; Q400-N504 HydrophobicContact CB-CB 4.4Å
401	Y	96	Very high	92.6	Very high	16 Å²	16	70.5 Å²	70.5	6%	0.063	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.6	173.3	-64.9	-107.4	0	0	0	109.3	F396 Y398 F403 V418 K419 T503 N504 V505 I506	F396-Y401 HydrophobicContact CD1-CE2 4.34Å; Y398-Y401 HydrophobicContact CD2-CD1 4.05Å; Y398-Y401 AromaticContact CD2-CE1 3.46Å; Y398-Y401 HydrophobicContact CD2-CE1 3.46Å; Y398-Y401 VanDerWaalsContact CD2-CE1 3.46Å; Y398-Y401 HydrophobicContact CD2-CE2 4.46Å; Y398-Y401 AromaticContact CD2-CZ 3.67Å; Y398-Y401 HydrophobicContact CE2-CE1 4.21Å; Y398-Y401 HydrophobicContact CG-CE1 4.42Å; Y398-Y401 PolarHBondContact N-OH 2.69Å; Y398-Y401 WeakPolarHBondContact O-CE2 3.34Å; Y401-F403 HydrophobicContact CD1-CE2 4.36Å; Y401-F403 AromaticContact CD1-CZ 3.76Å; Y401-F403 HydrophobicContact CD1-CZ 3.76Å; Y401-F403 HydrophobicContact CG-CE2 4.4Å; Y401-F403 HydrophobicContact CG-CZ 4.23Å; Y401-V418 HydrophobicContact CD1-CG1 4.03Å; Y401-V418 HydrophobicContact CD2-CG1 3.76Å; Y401-V418 HydrophobicContact CE1-CB 4.35Å; Y401-V418 HydrophobicContact CE1-CG1 4.05Å; Y401-V418 HydrophobicContact CE2-CB 4.22Å; Y401-V418 HydrophobicContact CE2-CG1 3.83Å; Y401-V418 HydrophobicContact CG-CG1 3.89Å; Y401-K419 PolarHBondContact OH-O 2.9Å; Y401-T503 HydrophobicContact CD2-CG2 4.08Å; Y401-T503 HydrophobicContact CE2-CG2 3.98Å; Y401-N504 PolarHBondContact N-O 2.98Å; Y401-V505 HydrophobicContact CD2-CG2 4.24Å; Y401-V505 HydrophobicContact CG-CG2 4.39Å; Y401-V505 CarbonylContact O-C 3.49Å; Y401-V505 WeakPolarHBondContact O-CA 3.48Å; Y401-I506 PolarHBondContact O-N 3.27Å
402	L	95.8	Very high	92.7	Very high	100 Å²	100	70 Å²	70	52%	0.524	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121	173.4	177.8	64.9	0	0	0	108.3	I506 E508	L402-I506 WeakPolarHBondContact CA-O 3.03Å; L402-I506 HydrophobicContact CD1-CB 3.94Å; L402-I506 HydrophobicContact CD1-CG2 3.92Å; L402-E508 HydrophobicContact CD1-CG 3.95Å
403	F	95.8	Very high	92.8	Very high	38 Å²	38	68.9 Å²	68.9	17%	0.167	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.7	175.2	-59.3	-56.9	0	0	0	110.1	Y401 I415 I471 V505 I506 I507 E508	Y401-F403 HydrophobicContact CD1-CE2 4.36Å; Y401-F403 AromaticContact CD1-CZ 3.76Å; Y401-F403 HydrophobicContact CD1-CZ 3.76Å; Y401-F403 HydrophobicContact CG-CE2 4.4Å; Y401-F403 HydrophobicContact CG-CZ 4.23Å; F403-I415 HydrophobicContact CB-CG2 3.85Å; F403-I415 HydrophobicContact CG-CG2 4.39Å; F403-I471 HydrophobicContact CE2-CD1 4.12Å; F403-V505 HydrophobicContact CD2-CG1 3.5Å; F403-V505 VanDerWaalsContact CD2-CG1 3.5Å; F403-V505 HydrophobicContact CE2-CG1 3.66Å; F403-I506 PolarHBondContact N-O 2.77Å; F403-I507 HydrophobicContact CB-CG1 4.47Å; F403-I507 WeakPolarHBondContact O-CA 3.16Å; F403-E508 PolarHBondContact O-N 2.69Å
404	H	93.9	Very high	92.9	Very high	96 Å²	96	69.2 Å²	69.2	44%	0.444	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.1	173	-74.2	-90.3	0	0	0	108.6	E508 D510	H404-E508 WeakPolarHBondContact CA-O 3.5Å; H404-E508 IonicContact CE1-OE2 3.48Å; H404-E508 PolarHBondContact CE1-OE2 3.48Å; H404-E508 VanDerWaalsContact CE1-OE2 3.3Å; H404-D510 WeakPolarHBondContact CB-OD2 3.49Å; H404-D510 IonicContact CG-OD1 3.99Å; H404-D510 IonicContact ND1-OD1 3.12Å; H404-D510 PolarHBondContact ND1-OD1 3.47Å; H404-D510 IonicContact ND1-OD2 3.83Å
405	L	93.5	Very high	92.9	Very high	5 Å²	5	70 Å²	70	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.2	176.3	175.7	63.5	0	0	0	108.6	E407 T413 I415 L473 I477 I507 E508 I509 D510	L405-E407 PolarHBondContact O-N 3.31Å; L405-T413 HydrophobicContact CD1-CG2 4.34Å; L405-I415 HydrophobicContact CD1-CG1 4.3Å; L405-I415 HydrophobicContact CD2-CD1 4.01Å; L405-I415 HydrophobicContact CD2-CG1 4.3Å; L405-L473 HydrophobicContact CD2-CD1 3.88Å; L405-L473 HydrophobicContact CD2-CD2 4.36Å; L405-I477 HydrophobicContact CD2-CD1 3.89Å; L405-I507 HydrophobicContact CB-CG2 3.89Å; L405-E508 PolarHBondContact N-O 2.87Å; L405-I509 HydrophobicContact CB-CD1 3.99Å; L405-I509 HydrophobicContact CD2-CD1 3.99Å; L405-I509 HydrophobicContact CG-CD1 4.31Å; L405-I509 CarbonylContact O-C 3.55Å; L405-I509 VanDerWaalsContact O-CA 3.26Å; L405-I509 WeakPolarHBondContact O-CA 3.41Å; L405-D510 PolarHBondContact O-N 3.43Å
406	I	91.4	Very high	92.9	Very high	91 Å²	91	65 Å²	65	47%	0.467	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	129.1	170.6	-62.1	172.6	0	0	0	108.6	S409 D510 I512	I406-S409 VanDerWaalsContact O-CB 3.25Å; I406-S409 WeakPolarHBondContact O-CB 3.32Å; I406-S409 PolarHBondContact O-N 3.4Å; I406-S409 PolarHBondContact O-OG 3.32Å; I406-D510 HydrophobicContact CG1-CB 4.36Å; I406-I512 HydrophobicContact CG2-CD1 3.14Å; I406-I512 HydrophobicContact CG2-CG1 3.7Å
407	E	91.7	Very high	92.9	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.009	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	167.1	176.8	75.7	-177.8	127.6	0	0	112.5	L405 S409 R479 I509 D510 D511 I512	L405-E407 PolarHBondContact O-N 3.31Å; E407-S409 PolarHBondContact O-N 3.06Å; E407-R479 HydrophobicContact CB-CB 4.1Å; E407-R479 HydrophobicContact CG-CB 4.46Å; E407-R479 WeakPolarHBondContact OE2-CB 3.49Å; E407-R479 PolarHBondContact OE2-N 2.89Å; E407-I509 HydrophobicContact CB-CG2 3.78Å; E407-D510 PolarHBondContact N-O 3.14Å; E407-D511 WeakPolarHBondContact OE1-CA 3.44Å; E407-I512 HydrophobicContact CG-CB 4.03Å; E407-I512 HydrophobicContact CG-CD1 3.89Å; E407-I512 HydrophobicContact CG-CG1 4.11Å; E407-I512 WeakPolarHBondContact O-CD1 3.43Å; E407-I512 PolarHBondContact OE1-N 2.84Å
408	N	89.3	Confident	93	Very high	74 Å²	74	64.1 Å²	64.1	40%	0.396	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	9.6	-175.5	-68.5	-48.4	0	0	0	115.4	I477 D514	N408-I477 PolarHBondContact N-O 2.82Å; N408-D514 PolarHBondContact ND2-OD2 3.49Å
409	S	91.7	Very high	93.1	Very high	18 Å²	18	61.9 Å²	61.9	13%	0.126	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-57.7	142.3	177	-79.5	0	0	0	0	111.1	I406 E407 L473	I406-S409 VanDerWaalsContact O-CB 3.25Å; I406-S409 WeakPolarHBondContact O-CB 3.32Å; I406-S409 PolarHBondContact O-N 3.4Å; I406-S409 PolarHBondContact O-OG 3.32Å; E407-S409 PolarHBondContact O-N 3.06Å; S409-L473 WeakPolarHBondContact O-CD2 3.49Å
410	P	92.1	Very high	93.4	Very high	90 Å²	90	55.7 Å²	55.7	58%	0.584	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-65.4	150.6	-176.6	25.4	-32.4	0	0	0	111.8	G412 T413	P410-G412 PolarHBondContact O-N 2.92Å; P410-T413 WeakPolarHBondContact CD-OG1 3.36Å; P410-T413 WeakPolarHBondContact CG-OG1 3.38Å; P410-T413 WeakPolarHBondContact O-CB 3.45Å; P410-T413 PolarHBondContact O-N 2.98Å; P410-T413 VanDerWaalsContact O-N 3.15Å; P410-T413 PolarHBondContact O-OG1 2.81Å
411	K	90.4	Very high	93.4	Very high	129 Å²	129	54 Å²	54	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	135.1	174.4	-56.6	-177.1	-179.1	-167.1	0	109.7	I474 N475 I476	K411-I474 WeakPolarHBondContact CD-O 3.44Å; K411-I474 WeakPolarHBondContact CG-O 3.11Å; K411-N475 WeakPolarHBondContact CE-OD1 3.32Å; K411-N475 PolarHBondContact NZ-OD1 3.29Å; K411-N475 VanDerWaalsContact NZ-OD1 3.12Å; K411-I476 HydrophobicContact CG-CG1 4.15Å
412	G	89.5	Confident	93.3	Very high	48 Å²	48	54.2 Å²	54.2	50%	0.495	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-1.5	-176	0	0	0	0	0	115	P410 L414 L473	P410-G412 PolarHBondContact O-N 2.92Å; G412-L414 PolarHBondContact O-N 3.32Å; G412-L473 WeakPolarHBondContact CA-O 3.47Å; G412-L473 PolarHBondContact N-O 3.31Å
413	T	93.3	Very high	93	Very high	37 Å²	37	54.3 Å²	54.3	23%	0.227	29%	0.292	C	S	.	.			trans	-57	130.2	174.8	-61.3	0	0	0	0	110.6	L405 P410 I415 K472 L473	L405-T413 HydrophobicContact CD1-CG2 4.34Å; P410-T413 WeakPolarHBondContact CD-OG1 3.36Å; P410-T413 WeakPolarHBondContact CG-OG1 3.38Å; P410-T413 WeakPolarHBondContact O-CB 3.45Å; P410-T413 PolarHBondContact O-N 2.98Å; P410-T413 VanDerWaalsContact O-N 3.15Å; P410-T413 PolarHBondContact O-OG1 2.81Å; T413-I415 PolarHBondContact O-N 3.15Å; T413-K472 WeakPolarHBondContact O-CA 3.44Å; T413-L473 PolarHBondContact O-N 2.96Å
414	L	95.2	Very high	92.9	Very high	93 Å²	93	52.8 Å²	52.8	49%	0.487	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	113.2	173	178.9	67.9	0	0	0	108.7	G412 G416 E470 K472	G412-L414 PolarHBondContact O-N 3.32Å; L414-G416 WeakPolarHBondContact CD1-O 3.48Å; L414-E470 HydrophobicContact CD1-CB 3.73Å; L414-E470 HydrophobicContact CD1-CG 3.87Å; L414-K472 HydrophobicContact CD1-CG 4.19Å
415	I	94.3	Very high	92.6	Very high	16 Å²	16	52.9 Å²	52.9	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-42.1	179.2	-55.4	176.7	0	0	0	109.6	F403 L405 T413 I462 I471 L473 I507	F403-I415 HydrophobicContact CB-CG2 3.85Å; F403-I415 HydrophobicContact CG-CG2 4.39Å; L405-I415 HydrophobicContact CD1-CG1 4.3Å; L405-I415 HydrophobicContact CD2-CD1 4.01Å; L405-I415 HydrophobicContact CD2-CG1 4.3Å; T413-I415 PolarHBondContact O-N 3.15Å; I415-I462 HydrophobicContact CD1-CD1 3.78Å; I415-I462 HydrophobicContact CD1-CG1 3.95Å; I415-I462 HydrophobicContact CD1-CG2 4.19Å; I415-I471 HydrophobicContact CB-CG2 4.31Å; I415-I471 HydrophobicContact CD1-CG2 4.18Å; I415-I471 PolarHBondContact N-O 2.98Å; I415-L473 HydrophobicContact CD1-CB 4.33Å; I415-L473 HydrophobicContact CD1-CD1 4.41Å; I415-L473 HydrophobicContact CG1-CB 4.5Å; I415-I507 HydrophobicContact CD1-CD1 4.28Å; I415-I507 HydrophobicContact CG2-CD1 4.05Å; I415-I507 HydrophobicContact CG2-CG1 4.19Å; I415-I507 HydrophobicContact CG2-CG2 4.06Å
416	G	93.7	Very high	92.4	Very high	10 Å²	10	55 Å²	55	10%	0.103	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-178.9	-177.8	0	0	0	0	0	111.2	L414 I471	L414-G416 WeakPolarHBondContact CD1-O 3.48Å; G416-I471 PolarHBondContact O-N 2.94Å
417	Q	95	Very high	92.4	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.7	178.3	-176.6	179	22.9	0	0	108.9	T468 G469 E470	Q417-T468 PolarHBondContact NE2-O 2.93Å; Q417-G469 WeakPolarHBondContact CA-O 3.38Å; Q417-E470 HydrophobicContact CB-CG 4.39Å; Q417-E470 HydrophobicContact CG-CG 4.13Å
418	V	95.5	Very high	92.3	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.			trans	-100.2	149.1	167	-63.6	0	0	0	0	109.5	F396 Y401 Y433 I464 G469 I471 I489 V505	F396-V418 HydrophobicContact CD1-CB 4.3Å; F396-V418 HydrophobicContact CE1-CB 4.02Å; F396-V418 HydrophobicContact CE1-CG2 4.02Å; Y401-V418 HydrophobicContact CD1-CG1 4.03Å; Y401-V418 HydrophobicContact CD2-CG1 3.76Å; Y401-V418 HydrophobicContact CE1-CB 4.35Å; Y401-V418 HydrophobicContact CE1-CG1 4.05Å; Y401-V418 HydrophobicContact CE2-CB 4.22Å; Y401-V418 HydrophobicContact CE2-CG1 3.83Å; Y401-V418 HydrophobicContact CG-CG1 3.89Å; V418-Y433 HydrophobicContact CG2-CD1 4.03Å; V418-Y433 HydrophobicContact CG2-CE1 4.33Å; V418-I464 HydrophobicContact CG2-CD1 3.74Å; V418-G469 PolarHBondContact N-O 3.07Å; V418-I471 HydrophobicContact CG1-CD1 4.3Å; V418-I489 HydrophobicContact CG1-CD1 3.98Å; V418-I489 HydrophobicContact CG2-CD1 4.19Å; V418-I489 HydrophobicContact CG2-CG2 4.1Å; V418-V505 HydrophobicContact CG1-CG2 3.86Å
419	K	95	Very high	92.4	Very high	90 Å²	90	55.1 Å²	55.1	39%	0.391	32%	0.315	S	S	.	.			trans	-142.1	128.6	-179.4	-175.3	167	162.6	-121.6	0	109.9	F396 E397 Y401	F396-K419 WeakPolarHBondContact CA-O 3.42Å; E397-K419 HydrophobicContact CG-CB 4.44Å; E397-K419 PolarHBondContact N-O 3.33Å; E397-K419 WeakPolarHBondContact OE1-CD 3.21Å; E397-K419 IonicContact OE1-NZ 2.62Å; E397-K419 PolarHBondContact OE1-NZ 3.43Å; Y401-K419 PolarHBondContact OH-O 2.9Å
420	A	94.9	Very high	92.5	Very high	6 Å²	6	59.4 Å²	59.4	5%	0.05	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.4	172.4	0	0	0	0	0	109.5	P394 I395 F396 I431 Y433 A491	P394-A420 HydrophobicContact CB-CB 4.44Å; I395-A420 CarbonylContact O-C 3.53Å; I395-A420 WeakPolarHBondContact O-CA 3.38Å; F396-A420 HydrophobicContact CD1-CB 3.84Å; F396-A420 HydrophobicContact CD2-CB 4.5Å; F396-A420 HydrophobicContact CE1-CB 4.1Å; F396-A420 HydrophobicContact CG-CB 4.07Å; A420-I431 VanDerWaalsContact C-CD1 3.47Å; A420-I431 HydrophobicContact CB-CD1 4.03Å; A420-I431 WeakPolarHBondContact O-CD1 3.34Å; A420-Y433 HydrophobicContact CB-CE1 3.95Å; A420-Y433 PolarHBondContact N-OH 2.64Å; A420-Y433 PolarHBondContact O-OH 3.22Å; A420-A491 HydrophobicContact CB-CB 3.76Å
421	N	93.1	Very high	92.6	Very high	83 Å²	83	56.4 Å²	56.4	44%	0.444	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.9	177.8	-56.7	-19.4	0	0	0	108.8	I395	I395-N421 PolarHBondContact N-O 3.21Å; I395-N421 PolarHBondContact O-N 2.86Å
422	D	93.9	Very high	92.7	Very high	20 Å²	20	55.9 Å²	55.9	11%	0.107	31%	0.311	C	S	.	.			trans	-129.1	133.7	175.3	-163.4	-39.6	0	0	0	107	P394 D424 S429 I431	P394-D422 WeakPolarHBondContact CD-OD2 3.32Å; P394-D422 VanDerWaalsContact CG-OD2 3.31Å; P394-D422 WeakPolarHBondContact CG-OD2 3.35Å; D422-D424 WeakPolarHBondContact OD1-CB 3.5Å; D422-D424 PolarHBondContact OD1-N 3.49Å; D422-D424 VanDerWaalsContact OD1-N 3.12Å; D422-S429 WeakPolarHBondContact O-CB 3.31Å; D422-I431 HydrophobicContact CB-CD1 3.9Å; D422-I431 HydrophobicContact CB-CG1 4.04Å
423	I	89.7	Confident	93.1	Very high	103 Å²	103	54.3 Å²	54.3	53%	0.528	29%	0.29	S	S	.	.			trans	-98.3	-3.3	-170.8	64.9	174	0	0	0	112.8	R355 E356 Q392	R355-I423 PolarHBondContact NH2-O 3Å; E356-I423 HydrophobicContact CB-CD1 4.23Å; E356-I423 HydrophobicContact CG-CD1 3.7Å; E356-I423 HydrophobicContact CG-CG1 3.83Å; Q392-I423 HydrophobicContact CB-CG1 4.16Å; Q392-I423 HydrophobicContact CG-CD1 3.97Å; Q392-I423 HydrophobicContact CG-CG1 3.63Å
424	D	93	Very high	93.1	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.032	30%	0.302	C	S	.	.	S	Bend	trans	-62.7	175.3	171.5	-68.5	-7.2	0	0	0	111	N390 D391 Q392 D422 N428 S429	N390-D424 WeakPolarHBondContact CA-OD2 3.19Å; N390-D424 PolarHBondContact OD1-OD2 3.22Å; N390-D424 VanDerWaalsContact OD1-OD2 3.11Å; D391-D424 PolarHBondContact N-OD2 3.34Å; Q392-D424 WeakPolarHBondContact CB-OD1 3.1Å; Q392-D424 WeakPolarHBondContact CG-OD1 3.35Å; Q392-D424 PolarHBondContact N-OD1 2.73Å; Q392-D424 PolarHBondContact N-OD2 2.53Å; D422-D424 WeakPolarHBondContact OD1-CB 3.5Å; D422-D424 PolarHBondContact OD1-N 3.49Å; D422-D424 VanDerWaalsContact OD1-N 3.12Å; D424-N428 HydrophobicContact CB-CB 3.6Å; D424-S429 WeakPolarHBondContact O-CB 3.28Å; D424-S429 PolarHBondContact O-OG 3.42Å
425	D	88.1	Confident	92.9	Very high	98 Å²	98	53.7 Å²	53.7	52%	0.524	29%	0.285	S	S	.	.			trans	-102.9	153	179.5	-166.6	37	0	0	0	114.2	D388 I427 N428	D388-D425 HydrophobicContact CB-CB 4.02Å; D388-D425 VanDerWaalsContact CG-N 3.32Å; D388-D425 PolarHBondContact OD1-N 3.28Å; D388-D425 VanDerWaalsContact OD1-N 3.16Å; D388-D425 PolarHBondContact OD2-N 2.8Å; D388-D425 VanDerWaalsContact OD2-N 3.11Å; D425-I427 PolarHBondContact O-N 2.92Å; D425-I427 VanDerWaalsContact O-N 3.14Å; D425-N428 WeakPolarHBondContact O-CB 3.02Å; D425-N428 PolarHBondContact O-N 2.88Å; D425-N428 VanDerWaalsContact O-N 3.07Å
426	G	89.1	Confident	92.7	Very high	48 Å²	48	58.5 Å²	58.5	50%	0.495	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	-116.5	171.9	0	0	0	0	0	114.9	N428 M430	G426-N428 VanDerWaalsContact C-N 3.34Å; G426-M430 PolarHBondContact O-N 3.28Å
427	I	91.9	Very high	92.4	Very high	110 Å²	110	62 Å²	62	56%	0.564	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-27.6	-176.2	-61.9	176.2	0	0	0	110.9	D425 S429 M430 N494	D425-I427 PolarHBondContact O-N 2.92Å; D425-I427 VanDerWaalsContact O-N 3.14Å; I427-S429 VanDerWaalsContact C-N 3.32Å; I427-S429 PolarHBondContact O-N 2.89Å; I427-M430 PolarHBondContact O-N 2.92Å; I427-N494 HydrophobicContact CG2-CB 3.38Å; I427-N494 VanDerWaalsContact CG2-O 3.22Å; I427-N494 WeakPolarHBondContact CG2-O 3.49Å; I427-N494 WeakPolarHBondContact O-CB 2.98Å; I427-N494 PolarHBondContact O-N 3.36Å
428	N	90.6	Very high	92	Very high	27 Å²	27	59 Å²	59	14%	0.144	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-28.9	179.7	-63.3	-25.1	0	0	0	111.4	D388 N390 D424 D425 G426 D493 G495	D388-N428 WeakPolarHBondContact OD2-CB 3.31Å; D388-N428 PolarHBondContact OD2-ND2 2.78Å; N390-N428 HydrophobicContact CB-CB 4.16Å; N390-N428 PolarHBondContact N-ND2 2.95Å; D424-N428 HydrophobicContact CB-CB 3.6Å; D425-N428 WeakPolarHBondContact O-CB 3.02Å; D425-N428 PolarHBondContact O-N 2.88Å; D425-N428 VanDerWaalsContact O-N 3.07Å; G426-N428 VanDerWaalsContact C-N 3.34Å; N428-D493 WeakPolarHBondContact O-CB 3.35Å; N428-G495 WeakPolarHBondContact OD1-CA 3.26Å
429	S	91.1	Very high	91.5	Very high	34 Å²	34	62 Å²	62	24%	0.238	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.4	169.9	51.4	0	0	0	0	115.8	D422 D424 I427 I431	D422-S429 WeakPolarHBondContact O-CB 3.31Å; D424-S429 WeakPolarHBondContact O-CB 3.28Å; D424-S429 PolarHBondContact O-OG 3.42Å; I427-S429 VanDerWaalsContact C-N 3.32Å; I427-S429 PolarHBondContact O-N 2.89Å; S429-I431 PolarHBondContact O-N 2.71Å; S429-I431 VanDerWaalsContact O-N 3.08Å
430	M	93.2	Very high	91	Very high	108 Å²	108	58 Å²	58	53%	0.532	30%	0.302	S	S	.	.			trans	-79.1	97.2	179.5	-171.6	-179.5	-179.3	0	0	111	G426 I427 N494	G426-M430 PolarHBondContact O-N 3.28Å; I427-M430 PolarHBondContact O-N 2.92Å; M430-N494 HydrophobicContact CB-CB 4.43Å; M430-N494 PolarHBondContact O-N 2.88Å; M430-N494 VanDerWaalsContact O-N 3.16Å; M430-N494 PolarHBondContact SD-ND2 2.8Å; M430-N494 VanDerWaalsContact SD-ND2 3.38Å
431	I	93.7	Very high	90.2	Very high	27 Å²	27	59.5 Å²	59.5	14%	0.138	31%	0.309	C	S	.	.			trans	-80.9	139.2	-176.5	-59.2	163.5	0	0	0	111.9	P394 A420 D422 S429 Y433 A491	P394-I431 HydrophobicContact CB-CD1 4.07Å; P394-I431 HydrophobicContact CB-CG1 4.07Å; P394-I431 HydrophobicContact CG-CG1 4.26Å; A420-I431 VanDerWaalsContact C-CD1 3.47Å; A420-I431 HydrophobicContact CB-CD1 4.03Å; A420-I431 WeakPolarHBondContact O-CD1 3.34Å; D422-I431 HydrophobicContact CB-CD1 3.9Å; D422-I431 HydrophobicContact CB-CG1 4.04Å; S429-I431 PolarHBondContact O-N 2.71Å; S429-I431 VanDerWaalsContact O-N 3.08Å; I431-Y433 HydrophobicContact CG2-CD1 4.44Å; I431-Y433 HydrophobicContact CG2-CE1 4.03Å; I431-Y433 HydrophobicContact CG2-CE2 4.17Å; I431-A491 HydrophobicContact CG2-CB 3.83Å
432	K	94.2	Very high	89.3	Confident	118 Å²	118	57.5 Å²	57.5	51%	0.513	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.3	167.2	-169.7	177.5	-179.2	178.6	0	110.7	P466 K492	K432-P466 WeakPolarHBondContact CA-O 3.32Å; K432-P466 HydrophobicContact CG-CB 3.93Å; K432-K492 PolarHBondContact N-O 2.71Å; K432-K492 PolarHBondContact O-N 2.75Å
433	Y	96.3	Very high	87.8	Confident	15 Å²	15	59.4 Å²	59.4	6%	0.059	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143.4	176.8	-56.7	-82.7	0	0	0	111.6	F396 V418 A420 I431 P466 E490 A491	F396-Y433 HydrophobicContact CE1-CD1 4.03Å; F396-Y433 AromaticContact CE1-CE1 3.85Å; F396-Y433 HydrophobicContact CE1-CE1 3.85Å; F396-Y433 HydrophobicContact CZ-CD1 4.35Å; F396-Y433 HydrophobicContact CZ-CE1 4.44Å; V418-Y433 HydrophobicContact CG2-CD1 4.03Å; V418-Y433 HydrophobicContact CG2-CE1 4.33Å; A420-Y433 HydrophobicContact CB-CE1 3.95Å; A420-Y433 PolarHBondContact N-OH 2.64Å; A420-Y433 PolarHBondContact O-OH 3.22Å; I431-Y433 HydrophobicContact CG2-CD1 4.44Å; I431-Y433 HydrophobicContact CG2-CE1 4.03Å; I431-Y433 HydrophobicContact CG2-CE2 4.17Å; Y433-P466 PolarHBondContact N-O 3.34Å; Y433-P466 WeakPolarHBondContact O-CA 3.45Å; Y433-E490 CarbonylContact C-O 3.54Å; Y433-E490 WeakPolarHBondContact CA-O 3.08Å; Y433-A491 HydrophobicContact CD1-CB 4.12Å; Y433-A491 HydrophobicContact CE1-CB 4.08Å
434	N	93.7	Very high	85.9	Confident	88 Å²	88	58.2 Å²	58.2	47%	0.471	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	145.4	174.4	-175.8	42.1	0	0	0	111.6	K436 E490	N434-K436 PolarHBondContact O-N 3.33Å; N434-E490 PolarHBondContact N-O 3.03Å; N434-E490 PolarHBondContact O-N 2.76Å
435	I	91.6	Very high	83.9	Confident	28 Å²	28	63.3 Å²	63.3	14%	0.144	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.7	169.9	-63.4	163	0	0	0	107.7	I438 I464	I435-I438 HydrophobicContact CG2-CD1 3.97Å; I435-I438 HydrophobicContact CG2-CG1 3.46Å; I435-I438 VanDerWaalsContact CG2-CG1 3.46Å; I435-I464 HydrophobicContact CD1-CB 4.08Å; I435-I464 HydrophobicContact CD1-CG2 4.03Å; I435-I464 HydrophobicContact CG1-CB 4.01Å; I435-I464 HydrophobicContact CG1-CG2 3.67Å
436	K	89	Confident	82	Confident	117 Å²	117	64.8 Å²	64.8	51%	0.509	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-39.7	-179.7	-170.5	172.8	-169.8	150	0	112	N434 I488 E490 I502	N434-K436 PolarHBondContact O-N 3.33Å; K436-I488 HydrophobicContact CB-CB 4.5Å; K436-I488 HydrophobicContact CB-CG2 4.31Å; K436-I488 WeakPolarHBondContact CB-O 3.37Å; K436-I488 HydrophobicContact CD-CG2 4.41Å; K436-I488 PolarHBondContact N-O 2.74Å; K436-E490 HydrophobicContact CB-CB 4.3Å; K436-E490 HydrophobicContact CD-CB 4.46Å; K436-E490 IonicContact NZ-OE1 2.81Å; K436-E490 PolarHBondContact NZ-OE1 3.13Å; K436-I502 HydrophobicContact CD-CG2 4.02Å
437	E	88.5	Confident	79.9	Confident	85 Å²	85	68 Å²	68	40%	0.397	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.4	-179.3	-161.3	177.3	-175.7	0	0	111.1	K439 L487 I488	E437-K439 HydrophobicContact CG-CG 4.37Å; E437-K439 WeakPolarHBondContact OE1-CE 3.27Å; E437-K439 IonicContact OE1-NZ 2.69Å; E437-K439 PolarHBondContact OE1-NZ 3.42Å; E437-K439 WeakPolarHBondContact OE2-CE 3.31Å; E437-K439 IonicContact OE2-NZ 2.62Å; E437-K439 PolarHBondContact OE2-NZ 2.77Å; E437-L487 WeakPolarHBondContact O-CA 3.43Å; E437-I488 HydrophobicContact CB-CB 4.14Å; E437-I488 HydrophobicContact CB-CD1 4.2Å; E437-I488 HydrophobicContact CB-CG1 4.27Å; E437-I488 PolarHBondContact N-O 3.44Å; E437-I488 PolarHBondContact O-N 2.78Å; E437-I488 WeakPolarHBondContact OE2-CD1 3.3Å
438	I	86.8	Confident	77.8	Confident	27 Å²	27	70.6 Å²	70.6	14%	0.138	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.8	175	-55.5	-178.3	0	0	0	108	I435 P440 N458 L485 L487	I435-I438 HydrophobicContact CG2-CD1 3.97Å; I435-I438 HydrophobicContact CG2-CG1 3.46Å; I435-I438 VanDerWaalsContact CG2-CG1 3.46Å; I438-P440 WeakPolarHBondContact O-CD 3.49Å; I438-N458 WeakPolarHBondContact CD1-O 3.12Å; I438-L485 HydrophobicContact CG2-CD2 3.58Å; I438-L487 HydrophobicContact CB-CD2 4.12Å; I438-L487 HydrophobicContact CD1-CD2 4.49Å; I438-L487 HydrophobicContact CG1-CD2 3.82Å; I438-L487 HydrophobicContact CG2-CD2 3.79Å
439	K	84.9	Confident	75.6	Confident	65 Å²	65	73.8 Å²	73.8	28%	0.283	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	97.5	177.5	-67.2	178.4	-175.5	158.2	0	110.4	E437 Y452 Y486	E437-K439 HydrophobicContact CG-CG 4.37Å; E437-K439 WeakPolarHBondContact OE1-CE 3.27Å; E437-K439 IonicContact OE1-NZ 2.69Å; E437-K439 PolarHBondContact OE1-NZ 3.42Å; E437-K439 WeakPolarHBondContact OE2-CE 3.31Å; E437-K439 IonicContact OE2-NZ 2.62Å; E437-K439 PolarHBondContact OE2-NZ 2.77Å; K439-Y452 HydrophobicContact CG-CE1 4.19Å; K439-Y486 PolarHBondContact N-O 2.87Å; K439-Y486 PolarHBondContact O-N 3.31Å
440	P	84.2	Confident	73.3	Confident	5 Å²	5	80.5 Å²	80.5	3%	0.032	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	139	175.3	28.3	-30.9	0	0	0	112.2	I438 L482 L485	I438-P440 WeakPolarHBondContact O-CD 3.49Å; P440-L482 HydrophobicContact CB-CD1 3.35Å; P440-L485 HydrophobicContact CB-CD2 4.32Å
441	I	79.1	Confident	70.9	Confident	38 Å²	38	82.6 Å²	82.6	20%	0.195	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117	172.5	-64.1	-158	0	0	0	110	Y450 L483 K484 Y486	I441-Y450 HydrophobicContact CG2-CD1 3.68Å; I441-Y450 HydrophobicContact CG2-CE1 3.6Å; I441-L483 PolarHBondContact O-N 3.06Å; I441-K484 HydrophobicContact CB-CB 4.17Å; I441-K484 PolarHBondContact N-O 2.76Å; I441-K484 PolarHBondContact O-N 2.96Å; I441-Y486 HydrophobicContact CD1-CD2 3.9Å; I441-Y486 HydrophobicContact CD1-CE2 3.27Å; I441-Y486 HydrophobicContact CG1-CD2 4Å; I441-Y486 HydrophobicContact CG1-CE2 3.82Å
442	I	72.2	Confident	68.8	Low	40 Å²	40	88.4 Å²	88.4	21%	0.205	42%	0.421	C	S	.	.			trans	-91.7	147.9	-179.7	-62.2	166.3	0	0	0	111	N444 Y451 Y453 K481	I442-N444 PolarHBondContact O-N 3.26Å; I442-Y451 WeakPolarHBondContact CD1-O 3.37Å; I442-Y453 HydrophobicContact CD1-CD2 3.38Å; I442-Y453 HydrophobicContact CD1-CE2 4.12Å; I442-Y453 HydrophobicContact CD1-CG 3.86Å; I442-Y453 HydrophobicContact CG1-CD2 3.32Å; I442-Y453 HydrophobicContact CG1-CE2 4Å; I442-Y453 HydrophobicContact CG1-CG 4.19Å; I442-K481 WeakPolarHBondContact CA-O 3.14Å; I442-K481 WeakPolarHBondContact CG1-O 3.42Å; I442-K481 WeakPolarHBondContact CG2-O 3.39Å
443	N	63	Low	66.5	Low	61 Å²	61	86 Å²	86	33%	0.326	41%	0.41	S	S	.	.			trans	-78	108	163.6	-160	5.4	0	0	0	109.2	E480 L483	N443-E480 WeakPolarHBondContact CB-O 3.38Å; N443-L483 HydrophobicContact CB-CD1 3.69Å; N443-L483 HydrophobicContact CB-CD2 4.13Å; N443-L483 HydrophobicContact CB-CG 3.8Å
444	N	50.8	Low	64.1	Low	77 Å²	77	92.7 Å²	92.7	41%	0.412	45%	0.446	S	S	.	.			trans	-125	108.2	172.3	-158.2	-0.8	0	0	0	109.5	I442 N446	I442-N444 PolarHBondContact O-N 3.26Å; N444-N446 PolarHBondContact O-N 3.16Å; N444-N446 VanDerWaalsContact O-N 3.13Å
445	N	51.2	Low	61.9	Low	114 Å²	114	92.4 Å²	92.4	61%	0.61	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.7	179.9	-77.1	-21.2	0	0	0	113.6
446	N	47.5	Very low	59.8	Low	128 Å²	128	98.8 Å²	98.8	68%	0.684	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-6.3	-163	-78.6	-18.1	0	0	0	117.4	N444	N444-N446 PolarHBondContact O-N 3.16Å; N444-N446 VanDerWaalsContact O-N 3.13Å
447	N	45.6	Very low	58.1	Low	117 Å²	117	96.2 Å²	96.2	63%	0.626	47%	0.471	S	S	*	.			trans	-175.4	146.6	166.9	-84.4	-38.5	0	0	0	106	D449	N447-D449 PolarHBondContact O-N 3.28Å
448	N	47.3	Very low	56.4	Low	164 Å²	164	94.1 Å²	94.1	88%	0.877	46%	0.462	S	S	*	.	S	Bend	trans	-62.1	19.4	176.9	-69.9	-30.5	0	0	0	114.7
449	D	43.7	Very low	55	Low	93 Å²	93	99.7 Å²	99.7	50%	0.497	49%	0.492	S	S	.	.			trans	-92.9	100.1	177.9	-68.8	-30.2	0	0	0	108.6	N447 Y451	N447-D449 PolarHBondContact O-N 3.28Å; D449-Y451 HydrophobicContact CB-CD2 4.28Å; D449-Y451 HydrophobicContact CB-CE2 3.86Å; D449-Y451 VanDerWaalsContact O-CD2 3.23Å; D449-Y451 WeakPolarHBondContact O-CD2 3.27Å; D449-Y451 PolarHBondContact O-N 3.06Å
450	Y	43.7	Very low	54.3	Low	176 Å²	176	101.5 Å²	101.5	69%	0.69	50%	0.502	S	S	*	.			trans	-59.7	99.3	169	-71	-77.7	0	0	0	109.6	I441	I441-Y450 HydrophobicContact CG2-CD1 3.68Å; I441-Y450 HydrophobicContact CG2-CE1 3.6Å
451	Y	42.6	Very low	54.2	Low	151 Å²	151	102.6 Å²	102.6	59%	0.592	51%	0.507	S	S	*	.			trans	-81.5	130.8	171.6	-78.1	-84.2	0	0	0	110.1	I442 D449 Y453	I442-Y451 WeakPolarHBondContact CD1-O 3.37Å; D449-Y451 HydrophobicContact CB-CD2 4.28Å; D449-Y451 HydrophobicContact CB-CE2 3.86Å; D449-Y451 VanDerWaalsContact O-CD2 3.23Å; D449-Y451 WeakPolarHBondContact O-CD2 3.27Å; D449-Y451 PolarHBondContact O-N 3.06Å; Y451-Y453 PolarHBondContact O-N 2.71Å
452	Y	49.5	Very low	54.6	Low	149 Å²	149	101 Å²	101	58%	0.584	50%	0.499	S	S	*	.			trans	-61	131.5	168.9	-71.6	-88.9	0	0	0	109.7	K439 N454	K439-Y452 HydrophobicContact CG-CE1 4.19Å; Y452-N454 PolarHBondContact O-N 2.96Å
453	Y	44.8	Very low	55.5	Low	69 Å²	69	103.5 Å²	103.5	27%	0.271	51%	0.513	S	S	.	.			trans	-59.1	106.6	173.1	-145	-78.8	0	0	0	107.8	I442 Y451 D455 N458 K481	I442-Y453 HydrophobicContact CD1-CD2 3.38Å; I442-Y453 HydrophobicContact CD1-CE2 4.12Å; I442-Y453 HydrophobicContact CD1-CG 3.86Å; I442-Y453 HydrophobicContact CG1-CD2 3.32Å; I442-Y453 HydrophobicContact CG1-CE2 4Å; I442-Y453 HydrophobicContact CG1-CG 4.19Å; Y451-Y453 PolarHBondContact O-N 2.71Å; Y453-D455 HydrophobicContact CD1-CB 3.79Å; Y453-D455 HydrophobicContact CE1-CB 3.86Å; Y453-D455 PolarHBondContact O-N 3.43Å; Y453-N458 PolarHBondContact O-ND2 2.87Å; Y453-N458 PolarHBondContact O-OD1 2.7Å; Y453-K481 HydrophobicContact CE2-CB 4.17Å
454	N	47.4	Very low	57	Low	154 Å²	154	100.9 Å²	100.9	82%	0.824	50%	0.499	S	S	*	.			trans	-94.8	28	-172.2	-116.4	6.6	0	0	0	111.5	Y452	Y452-N454 PolarHBondContact O-N 2.96Å
455	D	46.1	Very low	59	Low	82 Å²	82	99.6 Å²	99.6	44%	0.439	49%	0.492	S	S	.	.			trans	-81.4	127.9	169.3	-153.6	13.9	0	0	0	107	Y453 N457 N458	Y453-D455 HydrophobicContact CD1-CB 3.79Å; Y453-D455 HydrophobicContact CE1-CB 3.86Å; Y453-D455 PolarHBondContact O-N 3.43Å; D455-N457 PolarHBondContact O-N 2.89Å; D455-N457 PolarHBondContact OD2-ND2 2.71Å; D455-N458 PolarHBondContact O-N 3.42Å; D455-N458 PolarHBondContact O-OD1 2.81Å
456	N	48.9	Very low	61	Low	162 Å²	162	96.6 Å²	96.6	87%	0.866	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	5.9	-179.7	-66.4	-48.7	0	0	0	113.2
457	N	51.4	Low	63.2	Low	64 Å²	64	96.9 Å²	96.9	34%	0.342	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	13.4	-176.9	-63.2	-33.3	0	0	0	113.6	D455 N459 Q460	D455-N457 PolarHBondContact O-N 2.89Å; D455-N457 PolarHBondContact OD2-ND2 2.71Å; N457-N459 PolarHBondContact O-N 3.22Å; N457-Q460 HydrophobicContact CB-CB 4.34Å; N457-Q460 HydrophobicContact CB-CG 4.37Å; N457-Q460 WeakPolarHBondContact O-CA 3.35Å; N457-Q460 WeakPolarHBondContact O-CB 3.3Å; N457-Q460 PolarHBondContact O-N 2.94Å
458	N	54	Low	65.4	Low	40 Å²	40	93.7 Å²	93.7	21%	0.214	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-52.8	-31.9	175.6	-71.5	-12.6	0	0	0	112.2	I438 Y453 D455 Q460	I438-N458 WeakPolarHBondContact CD1-O 3.12Å; Y453-N458 PolarHBondContact O-ND2 2.87Å; Y453-N458 PolarHBondContact O-OD1 2.7Å; D455-N458 PolarHBondContact O-N 3.42Å; D455-N458 PolarHBondContact O-OD1 2.81Å; N458-Q460 PolarHBondContact O-N 2.8Å
459	N	57.2	Low	67.7	Low	144 Å²	144	85.9 Å²	85.9	77%	0.77	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-68.2	-2.9	172.5	-89.8	11.7	0	0	0	115.4	N457	N457-N459 PolarHBondContact O-N 3.22Å
460	Q	71	Confident	70.2	Confident	103 Å²	103	83.8 Å²	83.8	48%	0.481	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-113.5	5	-176.4	-60	-175.5	-3.2	0	0	113.8	N457 N458 I474	N457-Q460 HydrophobicContact CB-CB 4.34Å; N457-Q460 HydrophobicContact CB-CG 4.37Å; N457-Q460 WeakPolarHBondContact O-CA 3.35Å; N457-Q460 WeakPolarHBondContact O-CB 3.3Å; N457-Q460 PolarHBondContact O-N 2.94Å; N458-Q460 PolarHBondContact O-N 2.8Å; Q460-I474 WeakPolarHBondContact O-CB 3.31Å
461	L	80.8	Confident	72.6	Confident	29 Å²	29	75.4 Å²	75.4	15%	0.152	38%	0.376	C	S	.	.	S	Bend	trans	-82	-50.6	178.2	-69.4	168.4	0	0	0	111.3	I474 N475 I477 L482	L461-I474 PolarHBondContact O-N 3.42Å; L461-N475 PolarHBondContact O-N 3.5Å; L461-I477 HydrophobicContact CD2-CG1 4.34Å; L461-L482 HydrophobicContact CD1-CD2 4.42Å
462	I	88.7	Confident	75	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	143.6	-169	-62.8	173.9	0	0	0	109.5	I415 I471 L473 I474 L485 I507	I415-I462 HydrophobicContact CD1-CD1 3.78Å; I415-I462 HydrophobicContact CD1-CG1 3.95Å; I415-I462 HydrophobicContact CD1-CG2 4.19Å; I462-I471 HydrophobicContact CG2-CG2 3.22Å; I462-L473 HydrophobicContact CG1-CD1 4.36Å; I462-I474 VanDerWaalsContact C-CD1 3.49Å; I462-L485 HydrophobicContact CD1-CD1 3.83Å; I462-I507 HydrophobicContact CD1-CD1 3.56Å
463	N	90.5	Very high	77	Confident	91 Å²	91	65 Å²	65	49%	0.487	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.5	171	-165.7	19.8	0	0	0	110.7	I471 K472 I474	N463-I471 CarbonylContact O-C 3.32Å; N463-I471 WeakPolarHBondContact O-CA 3.3Å; N463-K472 PolarHBondContact N-O 3.48Å; N463-K472 PolarHBondContact O-N 2.68Å; N463-I474 HydrophobicContact CB-CD1 3.8Å; N463-I474 HydrophobicContact CB-CG1 3.88Å
464	I	94	Very high	78.9	Confident	6 Å²	6	65 Å²	65	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.1	164.2	-169.8	160.1	0	0	0	109.7	V418 I435 P466 E470 I471 I489	V418-I464 HydrophobicContact CG2-CD1 3.74Å; I435-I464 HydrophobicContact CD1-CB 4.08Å; I435-I464 HydrophobicContact CD1-CG2 4.03Å; I435-I464 HydrophobicContact CG1-CB 4.01Å; I435-I464 HydrophobicContact CG1-CG2 3.67Å; I464-P466 WeakPolarHBondContact O-CD 3.37Å; I464-E470 CarbonylContact C-O 3.47Å; I464-E470 WeakPolarHBondContact CA-O 3.07Å; I464-I471 HydrophobicContact CD1-CG1 4.14Å; I464-I471 HydrophobicContact CG1-CG1 4.29Å; I464-I489 HydrophobicContact CD1-CD1 4.01Å; I464-I489 HydrophobicContact CD1-CG2 3.75Å
465	D	93.6	Very high	80.7	Confident	50 Å²	50	60.7 Å²	60.7	27%	0.267	32%	0.318	S	S	.	.			trans	-69	120.3	168.5	-174.3	-44.5	0	0	0	109.1	I467 T468 G469 E470	D465-I467 PolarHBondContact O-N 3.01Å; D465-I467 VanDerWaalsContact O-N 3.16Å; D465-I467 PolarHBondContact OD1-N 3.13Å; D465-T468 WeakPolarHBondContact CB-OG1 3.45Å; D465-T468 PolarHBondContact OD1-N 3.18Å; D465-T468 VanDerWaalsContact OD1-N 3.1Å; D465-T468 PolarHBondContact OD2-OG1 2.8Å; D465-G469 WeakPolarHBondContact O-CA 3.42Å; D465-G469 PolarHBondContact O-N 2.04Å; D465-E470 HydrophobicContact CB-CB 4.28Å; D465-E470 PolarHBondContact N-O 3.3Å
466	P	93.5	Very high	82.6	Confident	51 Å²	51	60.9 Å²	60.9	33%	0.331	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.2	-174.2	27	-34.7	0	0	0	113.8	K432 Y433 I464	K432-P466 WeakPolarHBondContact CA-O 3.32Å; K432-P466 HydrophobicContact CG-CB 3.93Å; Y433-P466 PolarHBondContact N-O 3.34Å; Y433-P466 WeakPolarHBondContact O-CA 3.45Å; I464-P466 WeakPolarHBondContact O-CD 3.37Å
467	I	92	Very high	84.4	Confident	134 Å²	134	53.5 Å²	53.5	69%	0.687	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-46	-177.9	-57.6	172.4	0	0	0	110.3	D465	D465-I467 PolarHBondContact O-N 3.01Å; D465-I467 VanDerWaalsContact O-N 3.16Å; D465-I467 PolarHBondContact OD1-N 3.13Å
468	T	93.6	Very high	86.1	Confident	50 Å²	50	52.6 Å²	52.6	31%	0.307	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-19.5	-174.1	66	0	0	0	0	113.6	Q417 D465 E470	Q417-T468 PolarHBondContact NE2-O 2.93Å; D465-T468 WeakPolarHBondContact CB-OG1 3.45Å; D465-T468 PolarHBondContact OD1-N 3.18Å; D465-T468 VanDerWaalsContact OD1-N 3.1Å; D465-T468 PolarHBondContact OD2-OG1 2.8Å; T468-E470 PolarHBondContact O-N 2.75Å; T468-E470 WeakPolarHBondContact OG1-CG 3.41Å; T468-E470 PolarHBondContact OG1-N 2.94Å
469	G	93.8	Very high	87.8	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.			trans	73.5	10.6	-173.9	0	0	0	0	0	113.9	Q417 V418 D465	Q417-G469 WeakPolarHBondContact CA-O 3.38Å; V418-G469 PolarHBondContact N-O 3.07Å; D465-G469 WeakPolarHBondContact O-CA 3.42Å; D465-G469 PolarHBondContact O-N 2.04Å
470	E	96.6	Very high	89.2	Confident	50 Å²	50	45.5 Å²	45.5	23%	0.234	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.5	175.6	-73.8	-179.2	-179.1	0	0	111.3	L414 Q417 I464 D465 T468 K472	L414-E470 HydrophobicContact CD1-CB 3.73Å; L414-E470 HydrophobicContact CD1-CG 3.87Å; Q417-E470 HydrophobicContact CB-CG 4.39Å; Q417-E470 HydrophobicContact CG-CG 4.13Å; I464-E470 CarbonylContact C-O 3.47Å; I464-E470 WeakPolarHBondContact CA-O 3.07Å; D465-E470 HydrophobicContact CB-CB 4.28Å; D465-E470 PolarHBondContact N-O 3.3Å; T468-E470 PolarHBondContact O-N 2.75Å; T468-E470 WeakPolarHBondContact OG1-CG 3.41Å; T468-E470 PolarHBondContact OG1-N 2.94Å; E470-K472 WeakPolarHBondContact OE2-CE 3.11Å; E470-K472 IonicContact OE2-NZ 3.35Å; E470-K472 PolarHBondContact OE2-NZ 3.09Å
471	I	95.1	Very high	89.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.9	178.1	-55.4	176.6	0	0	0	108.4	F403 I415 G416 V418 I462 N463 I464 L487 I489 V505	F403-I471 HydrophobicContact CE2-CD1 4.12Å; I415-I471 HydrophobicContact CB-CG2 4.31Å; I415-I471 HydrophobicContact CD1-CG2 4.18Å; I415-I471 PolarHBondContact N-O 2.98Å; G416-I471 PolarHBondContact O-N 2.94Å; V418-I471 HydrophobicContact CG1-CD1 4.3Å; I462-I471 HydrophobicContact CG2-CG2 3.22Å; N463-I471 CarbonylContact O-C 3.32Å; N463-I471 WeakPolarHBondContact O-CA 3.3Å; I464-I471 HydrophobicContact CD1-CG1 4.14Å; I464-I471 HydrophobicContact CG1-CG1 4.29Å; I471-L487 HydrophobicContact CG2-CD1 4.5Å; I471-I489 HydrophobicContact CD1-CD1 3.51Å; I471-I489 HydrophobicContact CG1-CD1 4.32Å; I471-V505 HydrophobicContact CD1-CG1 4.17Å; I471-V505 HydrophobicContact CD1-CG2 4.49Å
472	K	93	Very high	89.8	Confident	76 Å²	76	44.6 Å²	44.6	33%	0.33	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.3	-176.1	-71.3	175.9	-177.9	159	0	112	T413 L414 N463 E470	T413-K472 WeakPolarHBondContact O-CA 3.44Å; L414-K472 HydrophobicContact CD1-CG 4.19Å; N463-K472 PolarHBondContact N-O 3.48Å; N463-K472 PolarHBondContact O-N 2.68Å; E470-K472 WeakPolarHBondContact OE2-CE 3.11Å; E470-K472 IonicContact OE2-NZ 3.35Å; E470-K472 PolarHBondContact OE2-NZ 3.09Å
473	L	91.5	Very high	89.7	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.5	175.6	-170	66.1	0	0	0	110.6	L405 S409 G412 T413 I415 I462 N475 I477	L405-L473 HydrophobicContact CD2-CD1 3.88Å; L405-L473 HydrophobicContact CD2-CD2 4.36Å; S409-L473 WeakPolarHBondContact O-CD2 3.49Å; G412-L473 WeakPolarHBondContact CA-O 3.47Å; G412-L473 PolarHBondContact N-O 3.31Å; T413-L473 PolarHBondContact O-N 2.96Å; I415-L473 HydrophobicContact CD1-CB 4.33Å; I415-L473 HydrophobicContact CD1-CD1 4.41Å; I415-L473 HydrophobicContact CG1-CB 4.5Å; I462-L473 HydrophobicContact CG1-CD1 4.36Å; L473-N475 WeakPolarHBondContact CD1-O 3.19Å; L473-N475 WeakPolarHBondContact CG-O 3.44Å; L473-I477 HydrophobicContact CD1-CD1 3.54Å; L473-I477 HydrophobicContact CD1-CG1 3.95Å
474	I	84.5	Confident	89.5	Confident	71 Å²	71	45.6 Å²	45.6	36%	0.364	23%	0.23	S	C	.	.			trans	-92.5	-42.9	175.8	-55.5	172.3	0	0	0	110.2	K411 Q460 L461 I462 N463	K411-I474 WeakPolarHBondContact CD-O 3.44Å; K411-I474 WeakPolarHBondContact CG-O 3.11Å; Q460-I474 WeakPolarHBondContact O-CB 3.31Å; L461-I474 PolarHBondContact O-N 3.42Å; I462-I474 VanDerWaalsContact C-CD1 3.49Å; N463-I474 HydrophobicContact CB-CD1 3.8Å; N463-I474 HydrophobicContact CB-CG1 3.88Å
475	N	84.5	Confident	89.3	Confident	63 Å²	63	45.3 Å²	45.3	34%	0.337	23%	0.228	S	C	.	.	S	Bend	trans	-129.5	155.1	-176.2	-152.9	15.7	0	0	0	111.4	K411 L461 L473	K411-N475 WeakPolarHBondContact CE-OD1 3.32Å; K411-N475 PolarHBondContact NZ-OD1 3.29Å; K411-N475 VanDerWaalsContact NZ-OD1 3.12Å; L461-N475 PolarHBondContact O-N 3.5Å; L473-N475 WeakPolarHBondContact CD1-O 3.19Å; L473-N475 WeakPolarHBondContact CG-O 3.44Å
476	I	86.6	Confident	89.1	Confident	86 Å²	86	47 Å²	47	44%	0.441	23%	0.232	S	C	.	.			trans	-67.9	137.2	-177.5	-56.3	171.7	0	0	0	108.7	K411	K411-I476 HydrophobicContact CG-CG1 4.15Å
477	I	86.7	Confident	89	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	22%	0.216	C	C	.	.			trans	-107.7	140.3	178.2	-67.5	171.1	0	0	0	108.7	L405 N408 L461 L473 L482 L485 I509	L405-I477 HydrophobicContact CD2-CD1 3.89Å; N408-I477 PolarHBondContact N-O 2.82Å; L461-I477 HydrophobicContact CD2-CG1 4.34Å; L473-I477 HydrophobicContact CD1-CD1 3.54Å; L473-I477 HydrophobicContact CD1-CG1 3.95Å; I477-L482 HydrophobicContact CD1-CD2 4.36Å; I477-L482 HydrophobicContact CG1-CD2 4.5Å; I477-L482 HydrophobicContact CG2-CB 4.24Å; I477-L482 HydrophobicContact CG2-CD2 3.96Å; I477-L485 HydrophobicContact CD1-CD1 3.96Å; I477-I509 HydrophobicContact CD1-CD1 4.3Å; I477-I509 HydrophobicContact CG2-CD1 4.09Å; I477-I509 HydrophobicContact CG2-CG1 4.09Å; I477-I509 HydrophobicContact CG2-CG2 4.15Å
478	D	87.8	Confident	89.1	Confident	46 Å²	46	39.6 Å²	39.6	25%	0.246	19%	0.191	C	C	.	.			trans	-114.9	122.1	176.9	161	-21.9	0	0	0	106.1	E480 K481 L482	D478-E480 WeakPolarHBondContact OD1-CB 3.17Å; D478-E480 PolarHBondContact OD1-N 3.39Å; D478-K481 PolarHBondContact O-N 3.08Å; D478-K481 PolarHBondContact OD1-N 3.31Å; D478-K481 IonicContact OD2-NZ 3.34Å; D478-K481 PolarHBondContact OD2-NZ 3.01Å; D478-L482 PolarHBondContact O-N 3.03Å
479	R	88.3	Confident	89.1	Confident	7 Å²	7	37.2 Å²	37.2	3%	0.026	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.3	-170.5	-167.1	-138.6	69.4	169.2	-7.3	112	E407 K481 L482 L483 I509 D511 L586 Q588	E407-R479 HydrophobicContact CB-CB 4.1Å; E407-R479 HydrophobicContact CG-CB 4.46Å; E407-R479 WeakPolarHBondContact OE2-CB 3.49Å; E407-R479 PolarHBondContact OE2-N 2.89Å; R479-K481 PolarHBondContact O-N 2.73Å; R479-K481 VanDerWaalsContact O-N 3.15Å; R479-L482 WeakPolarHBondContact CA-O 3.13Å; R479-L482 CarbonylContact O-C 3.56Å; R479-L482 VanDerWaalsContact O-C 3.26Å; R479-L482 PolarHBondContact O-N 2.9Å; R479-L483 HydrophobicContact CG-CD2 4.24Å; R479-I509 HydrophobicContact CB-CB 4.44Å; R479-I509 HydrophobicContact CB-CG2 3.74Å; R479-I509 HydrophobicContact CG-CB 3.91Å; R479-I509 HydrophobicContact CG-CG2 3.71Å; R479-D511 IonicContact CZ-OD1 2.79Å; R479-D511 IonicContact NE-OD1 2.96Å; R479-D511 IonicContact NH1-OD1 2.78Å; R479-D511 PolarHBondContact NH1-OD1 2.8Å; R479-D511 IonicContact NH2-OD1 2.66Å; R479-D511 PolarHBondContact NH2-OD1 2.84Å; R479-L586 PolarHBondContact NH2-O 2.85Å; R479-L586 VanDerWaalsContact NH2-O 3.11Å; R479-Q588 VanDerWaalsContact NH1-OE1 3.09Å
480	E	86.3	Confident	89.2	Confident	27 Å²	27	38.7 Å²	38.7	13%	0.126	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.6	177.6	-73.5	52.9	-105	0	0	110.6	N443 D478 N515 L586	N443-E480 WeakPolarHBondContact CB-O 3.38Å; D478-E480 WeakPolarHBondContact OD1-CB 3.17Å; D478-E480 PolarHBondContact OD1-N 3.39Å; E480-N515 VanDerWaalsContact CD-ND2 3.27Å; E480-N515 WeakPolarHBondContact CG-ND2 3.37Å; E480-N515 PolarHBondContact OE2-ND2 3.4Å; E480-L586 HydrophobicContact CG-CB 3.84Å
481	K	82.3	Confident	89.1	Confident	106 Å²	106	36.3 Å²	36.3	46%	0.461	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-29.7	172.4	-62.3	-168.9	-176.9	86.6	0	113.7	I442 Y453 D478 R479	I442-K481 WeakPolarHBondContact CA-O 3.14Å; I442-K481 WeakPolarHBondContact CG1-O 3.42Å; I442-K481 WeakPolarHBondContact CG2-O 3.39Å; Y453-K481 HydrophobicContact CE2-CB 4.17Å; D478-K481 PolarHBondContact O-N 3.08Å; D478-K481 PolarHBondContact OD1-N 3.31Å; D478-K481 IonicContact OD2-NZ 3.34Å; D478-K481 PolarHBondContact OD2-NZ 3.01Å; R479-K481 PolarHBondContact O-N 2.73Å; R479-K481 VanDerWaalsContact O-N 3.15Å
482	L	83.5	Confident	89.1	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.042	19%	0.189	C	C	.	.			trans	-143.8	105	-172.2	-175.3	67.9	0	0	0	111.9	P440 L461 I477 D478 R479 L485 I509	P440-L482 HydrophobicContact CB-CD1 3.35Å; L461-L482 HydrophobicContact CD1-CD2 4.42Å; I477-L482 HydrophobicContact CD1-CD2 4.36Å; I477-L482 HydrophobicContact CG1-CD2 4.5Å; I477-L482 HydrophobicContact CG2-CB 4.24Å; I477-L482 HydrophobicContact CG2-CD2 3.96Å; D478-L482 PolarHBondContact O-N 3.03Å; R479-L482 WeakPolarHBondContact CA-O 3.13Å; R479-L482 CarbonylContact O-C 3.56Å; R479-L482 VanDerWaalsContact O-C 3.26Å; R479-L482 PolarHBondContact O-N 2.9Å; L482-L485 HydrophobicContact CD1-CG 4.35Å; L482-L485 HydrophobicContact CD2-CD1 3.44Å; L482-L485 VanDerWaalsContact CD2-CD1 3.44Å; L482-L485 HydrophobicContact CD2-CD2 4.49Å; L482-L485 HydrophobicContact CD2-CG 3.86Å; L482-L485 HydrophobicContact CG-CD1 4.29Å; L482-L485 HydrophobicContact CG-CG 4.36Å; L482-I509 WeakPolarHBondContact O-CG1 3.5Å
483	L	84.8	Confident	89.2	Confident	47 Å²	47	36.9 Å²	36.9	25%	0.246	17%	0.174	C	C	.	.	S	Bend	trans	-83.1	-41.5	-176.9	-64	172.7	0	0	0	112.7	I441 N443 R479 I509	I441-L483 PolarHBondContact O-N 3.06Å; N443-L483 HydrophobicContact CB-CD1 3.69Å; N443-L483 HydrophobicContact CB-CD2 4.13Å; N443-L483 HydrophobicContact CB-CG 3.8Å; R479-L483 HydrophobicContact CG-CD2 4.24Å; L483-I509 PolarHBondContact O-N 2.82Å; L483-I509 VanDerWaalsContact O-N 3.11Å
484	K	88	Confident	89.2	Confident	69 Å²	69	39.8 Å²	39.8	30%	0.3	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.9	-175.3	-61.3	-168.7	-174.8	-164.6	0	112.1	I441 Y486 I507 E508	I441-K484 HydrophobicContact CB-CB 4.17Å; I441-K484 PolarHBondContact N-O 2.76Å; I441-K484 PolarHBondContact O-N 2.96Å; K484-Y486 HydrophobicContact CB-CE2 4.04Å; K484-I507 WeakPolarHBondContact CA-O 3.35Å; K484-E508 HydrophobicContact CD-CG 4.12Å; K484-E508 WeakPolarHBondContact CE-OE1 3.06Å; K484-E508 HydrophobicContact CG-CG 4.31Å; K484-E508 IonicContact NZ-OE1 3.09Å; K484-E508 PolarHBondContact NZ-OE1 3.47Å
485	L	88.8	Confident	89.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.5	175.5	-93.1	147.8	0	0	0	109.6	I438 P440 I462 I477 L482 L487 I506 I507	I438-L485 HydrophobicContact CG2-CD2 3.58Å; P440-L485 HydrophobicContact CB-CD2 4.32Å; I462-L485 HydrophobicContact CD1-CD1 3.83Å; I477-L485 HydrophobicContact CD1-CD1 3.96Å; L482-L485 HydrophobicContact CD1-CG 4.35Å; L482-L485 HydrophobicContact CD2-CD1 3.44Å; L482-L485 VanDerWaalsContact CD2-CD1 3.44Å; L482-L485 HydrophobicContact CD2-CD2 4.49Å; L482-L485 HydrophobicContact CD2-CG 3.86Å; L482-L485 HydrophobicContact CG-CD1 4.29Å; L482-L485 HydrophobicContact CG-CG 4.36Å; L485-L487 HydrophobicContact CD2-CD2 4.38Å; L485-I506 WeakPolarHBondContact O-CA 3.45Å; L485-I507 HydrophobicContact CB-CB 4.09Å; L485-I507 PolarHBondContact N-O 3.34Å; L485-I507 PolarHBondContact O-N 2.82Å
486	Y	90.3	Very high	89.4	Confident	85 Å²	85	42.6 Å²	42.6	33%	0.333	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.3	172	-65.5	-99.1	0	0	0	108.8	K439 I441 K484 V505 I506	K439-Y486 PolarHBondContact N-O 2.87Å; K439-Y486 PolarHBondContact O-N 3.31Å; I441-Y486 HydrophobicContact CD1-CD2 3.9Å; I441-Y486 HydrophobicContact CD1-CE2 3.27Å; I441-Y486 HydrophobicContact CG1-CD2 4Å; I441-Y486 HydrophobicContact CG1-CE2 3.82Å; K484-Y486 HydrophobicContact CB-CE2 4.04Å; Y486-V505 WeakPolarHBondContact CA-O 3.31Å; Y486-I506 HydrophobicContact CD1-CD1 4.25Å; Y486-I506 HydrophobicContact CD1-CG1 3.77Å; Y486-I506 HydrophobicContact CE1-CB 4.5Å; Y486-I506 HydrophobicContact CE1-CD1 3.72Å; Y486-I506 HydrophobicContact CE1-CG1 3.7Å; Y486-I506 HydrophobicContact CE1-CG2 4.12Å
487	L	91.5	Very high	89.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.1	175.9	-46.9	175	0	0	0	109.1	E437 I438 I471 L485 I489 V505 I507	E437-L487 WeakPolarHBondContact O-CA 3.43Å; I438-L487 HydrophobicContact CB-CD2 4.12Å; I438-L487 HydrophobicContact CD1-CD2 4.49Å; I438-L487 HydrophobicContact CG1-CD2 3.82Å; I438-L487 HydrophobicContact CG2-CD2 3.79Å; I471-L487 HydrophobicContact CG2-CD1 4.5Å; L485-L487 HydrophobicContact CD2-CD2 4.38Å; L487-I489 HydrophobicContact CB-CG1 4.23Å; L487-V505 HydrophobicContact CB-CB 4.18Å; L487-V505 PolarHBondContact N-O 2.78Å; L487-V505 PolarHBondContact O-N 3.37Å; L487-I507 HydrophobicContact CD1-CD1 3.63Å; L487-I507 HydrophobicContact CG-CD1 4.3Å
488	I	92.6	Very high	89.7	Confident	30 Å²	30	45.8 Å²	45.8	15%	0.154	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	113.3	164.9	-57.2	-177.8	0	0	0	106.5	K436 E437 I502	K436-I488 HydrophobicContact CB-CB 4.5Å; K436-I488 HydrophobicContact CB-CG2 4.31Å; K436-I488 WeakPolarHBondContact CB-O 3.37Å; K436-I488 HydrophobicContact CD-CG2 4.41Å; K436-I488 PolarHBondContact N-O 2.74Å; E437-I488 HydrophobicContact CB-CB 4.14Å; E437-I488 HydrophobicContact CB-CD1 4.2Å; E437-I488 HydrophobicContact CB-CG1 4.27Å; E437-I488 PolarHBondContact N-O 3.44Å; E437-I488 PolarHBondContact O-N 2.78Å; E437-I488 WeakPolarHBondContact OE2-CD1 3.3Å; I488-I502 HydrophobicContact CG2-CB 4Å; I488-I502 HydrophobicContact CG2-CD1 4.12Å; I488-I502 HydrophobicContact CG2-CG2 4.21Å
489	I	94.6	Very high	89.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.5	-178.1	-55.9	-175.8	0	0	0	108.9	F396 V418 I464 I471 L487 I502 T503 V505	F396-I489 HydrophobicContact CZ-CG2 4.23Å; V418-I489 HydrophobicContact CG1-CD1 3.98Å; V418-I489 HydrophobicContact CG2-CD1 4.19Å; V418-I489 HydrophobicContact CG2-CG2 4.1Å; I464-I489 HydrophobicContact CD1-CD1 4.01Å; I464-I489 HydrophobicContact CD1-CG2 3.75Å; I471-I489 HydrophobicContact CD1-CD1 3.51Å; I471-I489 HydrophobicContact CG1-CD1 4.32Å; L487-I489 HydrophobicContact CB-CG1 4.23Å; I489-I502 CarbonylContact O-C 3.57Å; I489-I502 WeakPolarHBondContact O-CA 3.03Å; I489-T503 HydrophobicContact CB-CG2 4.19Å; I489-T503 PolarHBondContact N-O 3.12Å; I489-T503 PolarHBondContact O-N 3.09Å; I489-V505 HydrophobicContact CD1-CB 4.14Å; I489-V505 HydrophobicContact CD1-CG2 3.33Å; I489-V505 HydrophobicContact CG1-CG2 3.91Å
490	E	95.3	Very high	90.2	Very high	30 Å²	30	48.4 Å²	48.4	14%	0.14	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.6	177.3	-173.6	171.2	-109	0	0	109.5	Y433 N434 K436 K492 T501 I502	Y433-E490 CarbonylContact C-O 3.54Å; Y433-E490 WeakPolarHBondContact CA-O 3.08Å; N434-E490 PolarHBondContact N-O 3.03Å; N434-E490 PolarHBondContact O-N 2.76Å; K436-E490 HydrophobicContact CB-CB 4.3Å; K436-E490 HydrophobicContact CD-CB 4.46Å; K436-E490 IonicContact NZ-OE1 2.81Å; K436-E490 PolarHBondContact NZ-OE1 3.13Å; E490-K492 HydrophobicContact CG-CB 4.5Å; E490-T501 CarbonylContact C-O 3.47Å; E490-T501 WeakPolarHBondContact CA-O 3.12Å; E490-I502 HydrophobicContact CB-CG2 4.09Å; E490-I502 HydrophobicContact CG-CG2 4.21Å
491	A	95.9	Very high	90.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.1	164.1	0	0	0	0	0	107.2	P394 F396 A420 I431 Y433 S500 T501	P394-A491 HydrophobicContact CB-CB 4.08Å; F396-A491 HydrophobicContact CD2-CB 4.35Å; F396-A491 HydrophobicContact CE1-CB 3.98Å; F396-A491 HydrophobicContact CE2-CB 3.5Å; F396-A491 HydrophobicContact CZ-CB 3.29Å; A420-A491 HydrophobicContact CB-CB 3.76Å; I431-A491 HydrophobicContact CG2-CB 3.83Å; Y433-A491 HydrophobicContact CD1-CB 4.12Å; Y433-A491 HydrophobicContact CE1-CB 4.08Å; A491-S500 CarbonylContact O-C 3.59Å; A491-S500 WeakPolarHBondContact O-CA 3.45Å; A491-S500 WeakPolarHBondContact O-CB 3.27Å; A491-T501 PolarHBondContact N-O 2.85Å; A491-T501 PolarHBondContact O-N 3.05Å
492	K	94.5	Very high	91.3	Very high	86 Å²	86	48.1 Å²	48.1	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.5	-174.5	-179.3	169.1	-176.4	175.9	0	109.6	K432 E490 S498 K499	K432-K492 PolarHBondContact N-O 2.71Å; K432-K492 PolarHBondContact O-N 2.75Å; E490-K492 HydrophobicContact CG-CB 4.5Å; K492-S498 WeakPolarHBondContact CE-OG 3.29Å; K492-S498 PolarHBondContact NZ-OG 3.23Å; K492-K499 WeakPolarHBondContact CA-O 3.36Å; K492-K499 WeakPolarHBondContact CG-O 3.36Å
493	D	94.5	Very high	91.8	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.011	25%	0.247	C	C	.	.			trans	-71.3	169.4	172.8	60.7	63.3	0	0	0	111.9	N390 P394 N428 G495 S498 K499	N390-D493 PolarHBondContact ND2-OD1 3.44Å; N390-D493 PolarHBondContact ND2-OD2 2.88Å; P394-D493 HydrophobicContact CG-CB 4.07Å; N428-D493 WeakPolarHBondContact O-CB 3.35Å; D493-G495 PolarHBondContact OD1-N 3.04Å; D493-S498 WeakPolarHBondContact O-CB 3.35Å; D493-S498 WeakPolarHBondContact OD1-CA 3.35Å; D493-K499 VanDerWaalsContact CG-N 3.31Å; D493-K499 PolarHBondContact N-O 3.3Å; D493-K499 PolarHBondContact OD1-N 3.08Å; D493-K499 WeakPolarHBondContact OD2-CA 3.19Å; D493-K499 WeakPolarHBondContact OD2-CB 3.42Å; D493-K499 PolarHBondContact OD2-N 3.2Å
494	N	92.2	Very high	92.3	Very high	66 Å²	66	49.6 Å²	49.6	35%	0.353	26%	0.257	S	S	.	.	S	Bend	trans	-96.7	10.4	177.6	-70.8	-16.7	0	0	0	113	I427 M430	I427-N494 HydrophobicContact CG2-CB 3.38Å; I427-N494 VanDerWaalsContact CG2-O 3.22Å; I427-N494 WeakPolarHBondContact CG2-O 3.49Å; I427-N494 WeakPolarHBondContact O-CB 2.98Å; I427-N494 PolarHBondContact O-N 3.36Å; M430-N494 HydrophobicContact CB-CB 4.43Å; M430-N494 PolarHBondContact O-N 2.88Å; M430-N494 VanDerWaalsContact O-N 3.16Å; M430-N494 PolarHBondContact SD-ND2 2.8Å; M430-N494 VanDerWaalsContact SD-ND2 3.38Å
495	G	88.9	Confident	92.6	Very high	4 Å²	4	46.3 Å²	46.3	4%	0.041	24%	0.243	C	C	.	.	S	Bend	trans	-66.2	172.7	179.9	0	0	0	0	0	113.4	N428 D493 P497 S498	N428-G495 WeakPolarHBondContact OD1-CA 3.26Å; D493-G495 PolarHBondContact OD1-N 3.04Å; G495-P497 CarbonylContact O-C 3.5Å; G495-S498 WeakPolarHBondContact O-CA 3.36Å; G495-S498 VanDerWaalsContact O-CB 3.32Å; G495-S498 WeakPolarHBondContact O-CB 2.91Å; G495-S498 PolarHBondContact O-N 3.49Å
496	Q	84.8	Confident	92.9	Very high	188 Å²	188	48 Å²	48	88%	0.879	25%	0.251	S	S	*	.	S	Bend	trans	-129.9	114.1	175.9	-72.2	-163.6	-15.3	0	0	111.8
497	P	88.5	Confident	93	Very high	114 Å²	114	44 Å²	44	74%	0.74	24%	0.235	S	C	*	.	S	Bend	cis	-65.4	140.1	-8.6	30	-34.5	0	0	0	111	N390 G495	N390-P497 PolarHBondContact ND2-O 3.08Å; G495-P497 CarbonylContact O-C 3.5Å
498	S	91.1	Very high	93	Very high	45 Å²	45	46.4 Å²	46.4	32%	0.315	25%	0.247	S	C	.	.			trans	-66.8	138.4	178.5	56.2	0	0	0	0	110.2	K492 D493 G495	K492-S498 WeakPolarHBondContact CE-OG 3.29Å; K492-S498 PolarHBondContact NZ-OG 3.23Å; D493-S498 WeakPolarHBondContact O-CB 3.35Å; D493-S498 WeakPolarHBondContact OD1-CA 3.35Å; G495-S498 WeakPolarHBondContact O-CA 3.36Å; G495-S498 VanDerWaalsContact O-CB 3.32Å; G495-S498 WeakPolarHBondContact O-CB 2.91Å; G495-S498 PolarHBondContact O-N 3.49Å
499	K	92.3	Very high	92.9	Very high	61 Å²	61	45.5 Å²	45.5	27%	0.265	24%	0.242	S	C	.	.			trans	-106.5	161.6	173	-62.9	170.8	164.7	173.5	0	110.2	N390 D391 Q392 L393 K492 D493	N390-K499 PolarHBondContact ND2-N 3.46Å; N390-K499 WeakPolarHBondContact O-CE 3.23Å; N390-K499 PolarHBondContact O-NZ 2.86Å; D391-K499 PolarHBondContact O-NZ 3.29Å; Q392-K499 WeakPolarHBondContact O-CD 3.49Å; L393-K499 HydrophobicContact CD2-CB 3.71Å; L393-K499 HydrophobicContact CD2-CD 4.18Å; L393-K499 HydrophobicContact CD2-CG 4.37Å; L393-K499 HydrophobicContact CG-CD 4.48Å; K492-K499 WeakPolarHBondContact CA-O 3.36Å; K492-K499 WeakPolarHBondContact CG-O 3.36Å; D493-K499 VanDerWaalsContact CG-N 3.31Å; D493-K499 PolarHBondContact N-O 3.3Å; D493-K499 PolarHBondContact OD1-N 3.08Å; D493-K499 WeakPolarHBondContact OD2-CA 3.19Å; D493-K499 WeakPolarHBondContact OD2-CB 3.42Å; D493-K499 PolarHBondContact OD2-N 3.2Å
500	S	94	Very high	92.8	Very high	48 Å²	48	48.3 Å²	48.3	34%	0.336	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	143.5	-173.7	60.3	0	0	0	0	111.9	A491	A491-S500 CarbonylContact O-C 3.59Å; A491-S500 WeakPolarHBondContact O-CA 3.45Å; A491-S500 WeakPolarHBondContact O-CB 3.27Å
501	T	94.8	Very high	92.5	Very high	34 Å²	34	48.5 Å²	48.5	21%	0.209	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	163.1	170.7	61.6	0	0	0	0	110.3	L393 P394 E490 A491	L393-T501 HydrophobicContact CB-CG2 3.89Å; L393-T501 HydrophobicContact CD2-CG2 4.12Å; L393-T501 HydrophobicContact CG-CG2 4.49Å; P394-T501 VanDerWaalsContact O-CB 3.29Å; P394-T501 WeakPolarHBondContact O-CB 3.28Å; P394-T501 WeakPolarHBondContact O-CG2 2.89Å; P394-T501 PolarHBondContact O-OG1 2.81Å; E490-T501 CarbonylContact C-O 3.47Å; E490-T501 WeakPolarHBondContact CA-O 3.12Å; A491-T501 PolarHBondContact N-O 2.85Å; A491-T501 PolarHBondContact O-N 3.05Å
502	I	95.5	Very high	92.2	Very high	93 Å²	93	51.2 Å²	51.2	48%	0.477	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.2	179.8	59.4	172.7	0	0	0	111.2	K436 I488 I489 E490	K436-I502 HydrophobicContact CD-CG2 4.02Å; I488-I502 HydrophobicContact CG2-CB 4Å; I488-I502 HydrophobicContact CG2-CD1 4.12Å; I488-I502 HydrophobicContact CG2-CG2 4.21Å; I489-I502 CarbonylContact O-C 3.57Å; I489-I502 WeakPolarHBondContact O-CA 3.03Å; E490-I502 HydrophobicContact CB-CG2 4.09Å; E490-I502 HydrophobicContact CG-CG2 4.21Å
503	T	95.3	Very high	92	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.4	171.4	-168.6	0	0	0	0	110.4	F396 Y398 N399 Y401 I489 V505	F396-T503 HydrophobicContact CD1-CG2 3.73Å; F396-T503 HydrophobicContact CD2-CG2 3.83Å; F396-T503 HydrophobicContact CE1-CG2 3.69Å; F396-T503 HydrophobicContact CE2-CG2 3.78Å; F396-T503 HydrophobicContact CG-CG2 3.79Å; F396-T503 HydrophobicContact CZ-CG2 3.69Å; Y398-T503 PolarHBondContact O-OG1 3.34Å; N399-T503 VanDerWaalsContact C-OG1 3.27Å; N399-T503 PolarHBondContact O-OG1 3.18Å; N399-T503 VanDerWaalsContact O-OG1 3.06Å; Y401-T503 HydrophobicContact CD2-CG2 4.08Å; Y401-T503 HydrophobicContact CE2-CG2 3.98Å; I489-T503 HydrophobicContact CB-CG2 4.19Å; I489-T503 PolarHBondContact N-O 3.12Å; I489-T503 PolarHBondContact O-N 3.09Å; T503-V505 HydrophobicContact CG2-CG2 4.48Å
504	N	94.4	Very high	91.7	Very high	83 Å²	83	49.2 Å²	49.2	44%	0.444	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.7	177.6	-67.3	-26.9	0	0	0	110	Q400 Y401	Q400-N504 CarbonylContact C-O 3.57Å; Q400-N504 WeakPolarHBondContact CA-O 3.5Å; Q400-N504 HydrophobicContact CB-CB 4.4Å; Y401-N504 PolarHBondContact N-O 2.98Å
505	V	95	Very high	91.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.6	172	-177.6	0	0	0	0	109.2	Y401 F403 V418 I471 Y486 L487 I489 T503 I507	Y401-V505 HydrophobicContact CD2-CG2 4.24Å; Y401-V505 HydrophobicContact CG-CG2 4.39Å; Y401-V505 CarbonylContact O-C 3.49Å; Y401-V505 WeakPolarHBondContact O-CA 3.48Å; F403-V505 HydrophobicContact CD2-CG1 3.5Å; F403-V505 VanDerWaalsContact CD2-CG1 3.5Å; F403-V505 HydrophobicContact CE2-CG1 3.66Å; V418-V505 HydrophobicContact CG1-CG2 3.86Å; I471-V505 HydrophobicContact CD1-CG1 4.17Å; I471-V505 HydrophobicContact CD1-CG2 4.49Å; Y486-V505 WeakPolarHBondContact CA-O 3.31Å; L487-V505 HydrophobicContact CB-CB 4.18Å; L487-V505 PolarHBondContact N-O 2.78Å; L487-V505 PolarHBondContact O-N 3.37Å; I489-V505 HydrophobicContact CD1-CB 4.14Å; I489-V505 HydrophobicContact CD1-CG2 3.33Å; I489-V505 HydrophobicContact CG1-CG2 3.91Å; T503-V505 HydrophobicContact CG2-CG2 4.48Å; V505-I507 HydrophobicContact CG1-CG1 4.18Å
506	I	94.1	Very high	91.5	Very high	35 Å²	35	51.5 Å²	51.5	18%	0.179	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.7	175.8	-53.8	178	0	0	0	107	Y401 L402 F403 L485 Y486 E508	Y401-I506 PolarHBondContact O-N 3.27Å; L402-I506 WeakPolarHBondContact CA-O 3.03Å; L402-I506 HydrophobicContact CD1-CB 3.94Å; L402-I506 HydrophobicContact CD1-CG2 3.92Å; F403-I506 PolarHBondContact N-O 2.77Å; L485-I506 WeakPolarHBondContact O-CA 3.45Å; Y486-I506 HydrophobicContact CD1-CD1 4.25Å; Y486-I506 HydrophobicContact CD1-CG1 3.77Å; Y486-I506 HydrophobicContact CE1-CB 4.5Å; Y486-I506 HydrophobicContact CE1-CD1 3.72Å; Y486-I506 HydrophobicContact CE1-CG1 3.7Å; Y486-I506 HydrophobicContact CE1-CG2 4.12Å; I506-E508 HydrophobicContact CG2-CG 4.27Å
507	I	93.5	Very high	91.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115	173.4	-55	168.6	0	0	0	107	F403 L405 I415 I462 K484 L485 L487 V505 I509	F403-I507 HydrophobicContact CB-CG1 4.47Å; F403-I507 WeakPolarHBondContact O-CA 3.16Å; L405-I507 HydrophobicContact CB-CG2 3.89Å; I415-I507 HydrophobicContact CD1-CD1 4.28Å; I415-I507 HydrophobicContact CG2-CD1 4.05Å; I415-I507 HydrophobicContact CG2-CG1 4.19Å; I415-I507 HydrophobicContact CG2-CG2 4.06Å; I462-I507 HydrophobicContact CD1-CD1 3.56Å; K484-I507 WeakPolarHBondContact CA-O 3.35Å; L485-I507 HydrophobicContact CB-CB 4.09Å; L485-I507 PolarHBondContact N-O 3.34Å; L485-I507 PolarHBondContact O-N 2.82Å; L487-I507 HydrophobicContact CD1-CD1 3.63Å; L487-I507 HydrophobicContact CG-CD1 4.3Å; V505-I507 HydrophobicContact CG1-CG1 4.18Å; I507-I509 HydrophobicContact CG2-CD1 4.01Å
508	E	91.6	Very high	91.7	Very high	52 Å²	52	38.5 Å²	38.5	24%	0.243	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.5	172	-61.6	-166.4	158	0	0	109	L402 F403 H404 L405 K484 I506	L402-E508 HydrophobicContact CD1-CG 3.95Å; F403-E508 PolarHBondContact O-N 2.69Å; H404-E508 WeakPolarHBondContact CA-O 3.5Å; H404-E508 IonicContact CE1-OE2 3.48Å; H404-E508 PolarHBondContact CE1-OE2 3.48Å; H404-E508 VanDerWaalsContact CE1-OE2 3.3Å; L405-E508 PolarHBondContact N-O 2.87Å; K484-E508 HydrophobicContact CD-CG 4.12Å; K484-E508 WeakPolarHBondContact CE-OE1 3.06Å; K484-E508 HydrophobicContact CG-CG 4.31Å; K484-E508 IonicContact NZ-OE1 3.09Å; K484-E508 PolarHBondContact NZ-OE1 3.47Å; I506-E508 HydrophobicContact CG2-CG 4.27Å
509	I	91.2	Very high	91.6	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.062	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.4	179.2	-50.9	-56.2	0	0	0	108.4	L405 E407 I477 R479 L482 L483 I507	L405-I509 HydrophobicContact CB-CD1 3.99Å; L405-I509 HydrophobicContact CD2-CD1 3.99Å; L405-I509 HydrophobicContact CG-CD1 4.31Å; L405-I509 CarbonylContact O-C 3.55Å; L405-I509 VanDerWaalsContact O-CA 3.26Å; L405-I509 WeakPolarHBondContact O-CA 3.41Å; E407-I509 HydrophobicContact CB-CG2 3.78Å; I477-I509 HydrophobicContact CD1-CD1 4.3Å; I477-I509 HydrophobicContact CG2-CD1 4.09Å; I477-I509 HydrophobicContact CG2-CG1 4.09Å; I477-I509 HydrophobicContact CG2-CG2 4.15Å; R479-I509 HydrophobicContact CB-CB 4.44Å; R479-I509 HydrophobicContact CB-CG2 3.74Å; R479-I509 HydrophobicContact CG-CB 3.91Å; R479-I509 HydrophobicContact CG-CG2 3.71Å; L482-I509 WeakPolarHBondContact O-CG1 3.5Å; L483-I509 PolarHBondContact O-N 2.82Å; L483-I509 VanDerWaalsContact O-N 3.11Å; I507-I509 HydrophobicContact CG2-CD1 4.01Å
510	D	90.7	Very high	91.2	Very high	59 Å²	59	35.2 Å²	35.2	32%	0.316	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136	179.8	-59.4	-27.7	0	0	0	110.2	H404 L405 I406 E407	H404-D510 WeakPolarHBondContact CB-OD2 3.49Å; H404-D510 IonicContact CG-OD1 3.99Å; H404-D510 IonicContact ND1-OD1 3.12Å; H404-D510 PolarHBondContact ND1-OD1 3.47Å; H404-D510 IonicContact ND1-OD2 3.83Å; L405-D510 PolarHBondContact O-N 3.43Å; I406-D510 HydrophobicContact CG1-CB 4.36Å; E407-D510 PolarHBondContact N-O 3.14Å
511	D	90	Very high	90.9	Very high	34 Å²	34	32.9 Å²	32.9	18%	0.182	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-71.4	135.9	-179.7	-176.7	100.2	0	0	0	112.7	E407 R479 Q588 N591	E407-D511 WeakPolarHBondContact OE1-CA 3.44Å; R479-D511 IonicContact CZ-OD1 2.79Å; R479-D511 IonicContact NE-OD1 2.96Å; R479-D511 IonicContact NH1-OD1 2.78Å; R479-D511 PolarHBondContact NH1-OD1 2.8Å; R479-D511 IonicContact NH2-OD1 2.66Å; R479-D511 PolarHBondContact NH2-OD1 2.84Å; D511-Q588 HydrophobicContact CB-CB 4.49Å; D511-Q588 PolarHBondContact OD1-N 2.78Å; D511-N591 WeakPolarHBondContact OD2-CB 3.3Å; D511-N591 PolarHBondContact OD2-ND2 2.74Å
512	I	89.9	Confident	90.2	Very high	57 Å²	57	34.4 Å²	34.4	29%	0.292	18%	0.175	S	C	.	.			trans	-118.1	150	166.3	-68.4	163.2	0	0	0	108.1	I406 E407 D514	I406-I512 HydrophobicContact CG2-CD1 3.14Å; I406-I512 HydrophobicContact CG2-CG1 3.7Å; E407-I512 HydrophobicContact CG-CB 4.03Å; E407-I512 HydrophobicContact CG-CD1 3.89Å; E407-I512 HydrophobicContact CG-CG1 4.11Å; E407-I512 WeakPolarHBondContact O-CD1 3.43Å; E407-I512 PolarHBondContact OE1-N 2.84Å; I512-D514 VanDerWaalsContact C-N 3.26Å; I512-D514 HydrophobicContact CG2-CB 4.44Å; I512-D514 PolarHBondContact O-N 2.86Å
513	N	90.4	Very high	89.4	Confident	9 Å²	9	30.1 Å²	30.1	5%	0.048	15%	0.154	C	C	.	.	S	Bend	trans	-67.2	82.3	172.3	-158	37.7	0	0	0	111.3	D587 N591 D647 I652 R654	N513-D587 WeakPolarHBondContact CA-OD2 3.42Å; N513-D587 PolarHBondContact OD1-OD2 2.92Å; N513-D587 VanDerWaalsContact OD1-OD2 3.13Å; N513-N591 HydrophobicContact CB-CB 4.1Å; N513-N591 PolarHBondContact N-ND2 2.88Å; N513-N591 WeakPolarHBondContact OD1-CB 3.48Å; N513-N591 PolarHBondContact OD1-O 2.82Å; N513-D647 PolarHBondContact ND2-OD1 3.5Å; N513-D647 PolarHBondContact OD1-OD1 2.75Å; N513-I652 PolarHBondContact ND2-O 3.37Å; N513-R654 WeakPolarHBondContact O-CD 3.39Å; N513-R654 PolarHBondContact O-NE 3.22Å; N513-R654 PolarHBondContact O-NH2 2.9Å
514	D	88.2	Confident	88.6	Confident	36 Å²	36	32.3 Å²	32.3	19%	0.193	16%	0.162	C	C	.	.			trans	-120.7	-9.3	-171.1	110.1	-33.6	0	0	0	114.9	N408 I512 D587 R654	N408-D514 PolarHBondContact ND2-OD2 3.49Å; I512-D514 VanDerWaalsContact C-N 3.26Å; I512-D514 HydrophobicContact CG2-CB 4.44Å; I512-D514 PolarHBondContact O-N 2.86Å; D514-D587 PolarHBondContact N-OD2 2.9Å; D514-R654 VanDerWaalsContact CA-CZ 3.4Å; D514-R654 VanDerWaalsContact CA-NH2 3.33Å; D514-R654 PolarHBondContact O-NH1 2.73Å; D514-R654 PolarHBondContact O-NH2 3.36Å
515	N	88.5	Confident	87.5	Confident	40 Å²	40	34.9 Å²	34.9	21%	0.214	17%	0.169	C	C	.	.	S	Bend	trans	-105.1	154.8	171.6	-66.1	-74.6	0	0	0	111.1	E480 L586 D587 R654	E480-N515 VanDerWaalsContact CD-ND2 3.27Å; E480-N515 WeakPolarHBondContact CG-ND2 3.37Å; E480-N515 PolarHBondContact OE2-ND2 3.4Å; N515-L586 HydrophobicContact CB-CB 4.23Å; N515-D587 VanDerWaalsContact CB-OD1 3.3Å; N515-D587 WeakPolarHBondContact CB-OD1 3.25Å; N515-D587 PolarHBondContact N-OD1 3.3Å; N515-D587 PolarHBondContact N-OD2 2.77Å; N515-D587 PolarHBondContact ND2-OD1 3.02Å; N515-R654 WeakPolarHBondContact O-CD 3.5Å
516	N	88.4	Confident	86.7	Confident	79 Å²	79	39.3 Å²	39.3	42%	0.422	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-102.9	148.4	174.4	-64.9	-6.8	0	0	0	108.3	I518 R654	N516-I518 PolarHBondContact O-N 2.78Å; N516-R654 WeakPolarHBondContact OD1-CB 2.91Å; N516-R654 VanDerWaalsContact OD1-CD 3.31Å; N516-R654 WeakPolarHBondContact OD1-CD 3.21Å; N516-R654 PolarHBondContact OD1-NH1 3.41Å
517	P	90.3	Very high	85.8	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-60	129.2	176.5	20	-30.7	0	0	0	110.8	V583 N584 D585 V594 S656	P517-V583 HydrophobicContact CB-CG1 3.81Å; P517-N584 CarbonylContact C-O 3.57Å; P517-D585 WeakPolarHBondContact CA-OD2 3.38Å; P517-D585 WeakPolarHBondContact CD-OD2 3.27Å; P517-V594 HydrophobicContact CB-CG1 3.71Å; P517-S656 WeakPolarHBondContact O-CB 3.03Å; P517-S656 PolarHBondContact O-OG 3.06Å
518	I	86.8	Confident	84.5	Confident	27 Å²	27	42.9 Å²	42.9	14%	0.138	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.2	178.8	-59.7	168.9	0	0	0	108.9	N516 S556 S557 E558 V583 N584	N516-I518 PolarHBondContact O-N 2.78Å; I518-S556 WeakPolarHBondContact CG2-OG 3.4Å; I518-S557 WeakPolarHBondContact CA-OG 3.32Å; I518-E558 HydrophobicContact CD1-CG 4.4Å; I518-E558 HydrophobicContact CG1-CG 4.44Å; I518-E558 HydrophobicContact CG2-CG 4.11Å; I518-V583 VanDerWaalsContact O-CA 3.29Å; I518-V583 WeakPolarHBondContact O-CA 3.28Å; I518-N584 PolarHBondContact N-O 3.08Å; I518-N584 PolarHBondContact O-N 3.02Å
519	I	88.6	Confident	83.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.6	178.6	-57.7	164.6	0	0	0	109.4	L521 S556 S557 V581 V583 C645 S656 V658	I519-L521 HydrophobicContact CG2-CG 4.33Å; I519-S556 CarbonylContact O-C 3.52Å; I519-S556 VanDerWaalsContact O-CA 3.28Å; I519-S556 WeakPolarHBondContact O-CA 3.2Å; I519-S557 PolarHBondContact N-OG 3.16Å; I519-S557 PolarHBondContact O-N 2.83Å; I519-V581 HydrophobicContact CG2-CG1 3.5Å; I519-V583 HydrophobicContact CB-CG2 4.47Å; I519-V583 HydrophobicContact CG1-CG1 4.39Å; I519-V583 HydrophobicContact CG1-CG2 4.04Å; I519-V583 HydrophobicContact CG2-CG2 4.4Å; I519-C645 HydrophobicContact CD1-CB 3.8Å; I519-C645 HydrophobicContact CG1-CB 3.93Å; I519-S656 WeakPolarHBondContact CD1-O 3.02Å; I519-S656 WeakPolarHBondContact CD1-OG 3.41Å; I519-S656 VanDerWaalsContact CG1-OG 3.3Å; I519-S656 WeakPolarHBondContact CG1-OG 3.39Å; I519-V658 HydrophobicContact CB-CG2 3.99Å; I519-V658 HydrophobicContact CD1-CG2 4.09Å; I519-V658 HydrophobicContact CG2-CG2 4.1Å
520	D	84.3	Confident	81.5	Confident	37 Å²	37	48 Å²	48	20%	0.198	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.3	169.1	-70.3	-25.5	0	0	0	110.4	Y553 S556 K582	D520-Y553 HydrophobicContact CB-CE2 4.03Å; D520-S556 WeakPolarHBondContact OD1-CB 3.23Å; D520-S556 PolarHBondContact OD1-OG 3.49Å; D520-K582 HydrophobicContact CB-CB 4.32Å; D520-K582 PolarHBondContact N-O 2.94Å; D520-K582 PolarHBondContact O-N 2.76Å
521	L	86.4	Confident	79.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.3	176	-82.8	162.2	0	0	0	111.1	I519 L554 I555 I564 V581 I625 I643 V658	I519-L521 HydrophobicContact CG2-CG 4.33Å; L521-L554 HydrophobicContact CB-CB 4.48Å; L521-L554 WeakPolarHBondContact O-CB 3.43Å; L521-L554 PolarHBondContact O-N 2.65Å; L521-I555 PolarHBondContact N-O 3.46Å; L521-I564 HydrophobicContact CB-CD1 3.9Å; L521-I564 HydrophobicContact CD1-CD1 3.46Å; L521-I564 VanDerWaalsContact CD1-CD1 3.46Å; L521-I564 HydrophobicContact CG-CD1 4.31Å; L521-V581 HydrophobicContact CD2-CB 4.29Å; L521-V581 HydrophobicContact CD2-CG1 4.36Å; L521-V581 HydrophobicContact CD2-CG2 3.72Å; L521-I625 HydrophobicContact CD2-CD1 4.4Å; L521-I643 HydrophobicContact CD1-CD1 4.11Å; L521-I643 HydrophobicContact CD2-CD1 3.89Å; L521-V658 HydrophobicContact CD1-CB 3.91Å; L521-V658 HydrophobicContact CD1-CG1 3.35Å
522	W	80.6	Confident	77.8	Confident	66 Å²	66	49 Å²	49	25%	0.25	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125	-179.2	-67.9	73	0	0	0	109.8	P551 F552 Y553 S579 I580	W522-P551 HydrophobicContact CB-CB 4.43Å; W522-P551 HydrophobicContact CB-CG 4.49Å; W522-F552 WeakPolarHBondContact CA-O 3.31Å; W522-Y553 AromaticContact CE2-CD2 3.97Å; W522-Y553 HydrophobicContact CZ2-CD2 4.06Å; W522-S579 CarbonylContact O-C 3.57Å; W522-S579 VanDerWaalsContact O-CA 3.32Å; W522-S579 WeakPolarHBondContact O-CA 3.45Å; W522-S579 PolarHBondContact O-OG 2.91Å; W522-I580 HydrophobicContact CB-CB 4.22Å; W522-I580 PolarHBondContact N-O 2.85Å; W522-I580 PolarHBondContact O-N 2.88Å
523	G	80	Confident	76	Confident	2 Å²	2	48.9 Å²	48.9	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-167.4	-179.8	0	0	0	0	0	113.1	F552	G523-F552 PolarHBondContact N-O 2.83Å; G523-F552 PolarHBondContact O-N 2.71Å
524	Y	77	Confident	74	Confident	49 Å²	49	54 Å²	54	19%	0.192	28%	0.278	C	S	.	.			trans	-104.5	139.6	174	-59.4	-78.9	0	0	0	109.5	E526 I533 L549 P551 F552 I566	Y524-E526 PolarHBondContact O-N 3.06Å; Y524-I533 HydrophobicContact CE2-CD1 4.25Å; Y524-L549 HydrophobicContact CE1-CB 4.31Å; Y524-L549 WeakPolarHBondContact OH-CB 3.29Å; Y524-L549 PolarHBondContact OH-O 3.5Å; Y524-P551 HydrophobicContact CE2-CB 4.44Å; Y524-F552 HydrophobicContact CD1-CD2 4.32Å; Y524-F552 HydrophobicContact CD1-CE2 4.48Å; Y524-I566 WeakPolarHBondContact O-CG2 3.3Å
525	K	72.3	Confident	71.8	Confident	138 Å²	138	55.6 Å²	55.6	60%	0.6	29%	0.286	S	S	*	.	S	Bend	trans	-64.2	-31.9	174.3	-172	179.7	177.6	-175	0	111.7	I566 W567	K525-I566 CarbonylContact O-C 3.54Å; K525-I566 WeakPolarHBondContact O-CA 3.47Å; K525-W567 PolarHBondContact O-N 3.13Å
526	E	76.9	Confident	69.5	Low	92 Å²	92	57.8 Å²	57.8	43%	0.43	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.1	-179.8	-54.4	-169.7	-174.3	0	0	110.7	Y524 W567 K665	Y524-E526 PolarHBondContact O-N 3.06Å; E526-W567 CarbonylContact C-O 3.52Å; E526-W567 VanDerWaalsContact CA-O 3.26Å; E526-W567 WeakPolarHBondContact CA-O 3.27Å; E526-W567 HydrophobicContact CG-CB 4.18Å; E526-K665 IonicContact OE2-NZ 3.93Å; E526-K665 PolarHBondContact OE2-NZ 3.34Å
527	I	76	Confident	67.1	Low	18 Å²	18	60.6 Å²	60.6	9%	0.092	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	96.7	176.5	-58.2	169.6	0	0	0	107.7	W567 V568 S569 L572 L578	I527-W567 PolarHBondContact N-O 2.84Å; I527-V568 HydrophobicContact CB-CG2 4.49Å; I527-V568 HydrophobicContact CD1-CG2 4.38Å; I527-S569 PolarHBondContact O-N 3.23Å; I527-L572 HydrophobicContact CG2-CD1 3.89Å; I527-L572 HydrophobicContact CG2-CD2 4.44Å; I527-L578 HydrophobicContact CD1-CB 4.42Å; I527-L578 HydrophobicContact CD1-CD2 4.08Å
528	L	67	Low	64.7	Low	92 Å²	92	64.3 Å²	64.3	48%	0.482	34%	0.344	S	S	.	.			trans	-96.6	-17.6	-172.6	-72.6	174.7	0	0	0	114.2	K665	L528-K665 HydrophobicContact CD2-CD 3.67Å
529	N	63.1	Low	62.6	Low	112 Å²	112	69.3 Å²	69.3	60%	0.599	38%	0.376	S	S	*	.	S	Bend	trans	-99.9	135.6	-174.4	-62.2	2.4	0	0	0	109.5	T531	N529-T531 CarbonylContact O-C 3.55Å; N529-T531 PolarHBondContact O-N 2.85Å
530	S	56.7	Low	60.6	Low	61 Å²	61	75.2 Å²	75.2	43%	0.427	42%	0.417	S	S	.	.	S	Bend	trans	-55.9	-24.2	173.6	59.2	0	0	0	0	112.7	G532 L571 N573	S530-G532 VanDerWaalsContact C-N 3.31Å; S530-G532 PolarHBondContact O-N 3.39Å; S530-G532 VanDerWaalsContact O-N 3.08Å; S530-L571 WeakPolarHBondContact CB-O 3.36Å; S530-N573 PolarHBondContact O-N 3.22Å; S530-N573 PolarHBondContact O-ND2 3.42Å
531	T	52.8	Low	58.4	Low	102 Å²	102	77 Å²	77	63%	0.626	43%	0.429	S	S	*	.			trans	-80.5	76	167.6	63.3	0	0	0	0	110.3	N529	N529-T531 CarbonylContact O-C 3.55Å; N529-T531 PolarHBondContact O-N 2.85Å
532	G	49.8	Very low	56.2	Low	10 Å²	10	82.8 Å²	82.8	10%	0.103	47%	0.465	C	S	.	.			trans	-56	161.2	152	0	0	0	0	0	109.8	S530 M534	S530-G532 VanDerWaalsContact C-N 3.31Å; S530-G532 PolarHBondContact O-N 3.39Å; S530-G532 VanDerWaalsContact O-N 3.08Å; G532-M534 PolarHBondContact O-N 2.97Å
533	I	52.5	Low	54	Low	56 Å²	56	85 Å²	85	29%	0.287	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	102.2	174.6	-57	170	0	0	0	107.1	Y524 I577	Y524-I533 HydrophobicContact CE2-CD1 4.25Å; I533-I577 PolarHBondContact O-N 2.83Å
534	M	47.1	Very low	52.1	Low	115 Å²	115	87.5 Å²	87.5	57%	0.567	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	129	177.6	-84.6	-165.8	74.8	0	0	109.4	G532 T536	G532-M534 PolarHBondContact O-N 2.97Å; M534-T536 PolarHBondContact O-N 2.86Å; M534-T536 VanDerWaalsContact O-N 3.08Å
535	M	43.5	Very low	50.3	Low	70 Å²	70	93.3 Å²	93.3	35%	0.345	52%	0.523	S	S	.	.			trans	-70.2	100.2	165	-109.3	-162.3	-78.8	0	0	109	T537 I577 I626	M535-T537 PolarHBondContact O-N 3.01Å; M535-I577 HydrophobicContact CE-CD1 4.41Å; M535-I577 HydrophobicContact CG-CD1 4.23Å; M535-I626 HydrophobicContact CE-CD1 3.55Å
536	T	40	Very low	48.7	Very low	87 Å²	87	94.4 Å²	94.4	53%	0.534	53%	0.53	S	S	.	.			trans	-82.1	109.9	169.3	53.3	0	0	0	0	109.2	M534 T538	M534-T536 PolarHBondContact O-N 2.86Å; M534-T536 VanDerWaalsContact O-N 3.08Å; T536-T538 PolarHBondContact O-N 3.2Å
537	T	37.2	Very low	47	Very low	137 Å²	137	92.4 Å²	92.4	84%	0.84	53%	0.526	S	S	*	.			trans	-74.5	73	167.6	54.1	0	0	0	0	109.2	M535	M535-T537 PolarHBondContact O-N 3.01Å
538	T	40.3	Very low	45.2	Very low	79 Å²	79	97.4 Å²	97.4	49%	0.485	56%	0.563	S	S	.	*			trans	-83.1	126.3	168.8	51	0	0	0	0	108.9	T536 S540	T536-T538 PolarHBondContact O-N 3.2Å; T538-S540 PolarHBondContact O-N 3.02Å
539	T	41.9	Very low	44	Very low	132 Å²	132	98.5 Å²	98.5	81%	0.81	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.2	122.7	179.8	48.5	0	0	0	0	111.7
540	S	46.5	Very low	43.1	Very low	124 Å²	124	99.6 Å²	99.6	87%	0.867	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.2	-7.1	167.6	73.9	0	0	0	0	120.2	T538	T538-S540 PolarHBondContact O-N 3.02Å
541	T	39.7	Very low	43.1	Very low	74 Å²	74	97.9 Å²	97.9	45%	0.454	56%	0.56	S	S	.	*			trans	-147.5	106.9	169.9	51.8	0	0	0	0	108.9	D543	T541-D543 PolarHBondContact O-N 2.86Å
542	T	38.6	Very low	43.2	Very low	122 Å²	122	99.9 Å²	99.9	75%	0.748	56%	0.56	S	S	*	*			trans	-73.7	56.9	167.8	51.4	0	0	0	0	109.3	I544	T542-I544 VanDerWaalsContact C-N 3.29Å; T542-I544 PolarHBondContact O-N 2.96Å; T542-I544 VanDerWaalsContact O-N 3.11Å
543	D	34.6	Very low	43.6	Very low	113 Å²	113	104.8 Å²	104.8	60%	0.604	58%	0.576	S	S	*	*			trans	-78.9	92.4	165.4	-71.6	-23.1	0	0	0	104.9	T541 Q545	T541-D543 PolarHBondContact O-N 2.86Å; D543-Q545 PolarHBondContact O-N 3.02Å
544	I	40	Very low	43.9	Very low	54 Å²	54	104 Å²	104	28%	0.277	57%	0.572	S	S	.	*			trans	-55	104.9	156.9	-60.8	169.1	0	0	0	102.7	T542 H546	T542-I544 VanDerWaalsContact C-N 3.29Å; T542-I544 PolarHBondContact O-N 2.96Å; T542-I544 VanDerWaalsContact O-N 3.11Å; I544-H546 PolarHBondContact O-N 3.05Å
545	Q	39.3	Very low	44.5	Very low	171 Å²	171	100.5 Å²	100.5	80%	0.799	56%	0.556	S	S	*	*			trans	-59.5	97.4	168.4	-70.1	-152.4	-9.1	0	0	104	D543 S547	D543-Q545 PolarHBondContact O-N 3.02Å; Q545-S547 PolarHBondContact O-N 3.5Å
546	H	38.7	Very low	45.4	Very low	162 Å²	162	97.3 Å²	97.3	75%	0.75	54%	0.54	S	S	*	.			trans	-54.3	98.5	166.9	-79.8	-87.6	0	0	0	103.3	I544 S548	I544-H546 PolarHBondContact O-N 3.05Å; H546-S548 PolarHBondContact O-N 2.69Å; H546-S548 VanDerWaalsContact O-N 3.16Å
547	S	41	Very low	46.4	Very low	49 Å²	49	93.8 Å²	93.8	34%	0.343	52%	0.519	S	S	.	.			trans	-45.3	131.5	159.1	57.5	0	0	0	0	104.2	Q545 L549	Q545-S547 PolarHBondContact O-N 3.5Å; S547-L549 CarbonylContact O-C 3.57Å; S547-L549 PolarHBondContact O-N 3.15Å; S547-L549 VanDerWaalsContact O-O 3.13Å
548	S	39.9	Very low	47.5	Very low	124 Å²	124	93.9 Å²	93.9	87%	0.867	51%	0.51	S	S	*	.	S	Bend	trans	-59.2	10.9	-174.4	55	0	0	0	0	114.8	H546	H546-S548 PolarHBondContact O-N 2.69Å; H546-S548 VanDerWaalsContact O-N 3.16Å
549	L	40.6	Very low	48.2	Very low	114 Å²	114	95.4 Å²	95.4	60%	0.597	52%	0.515	S	S	*	.			trans	-95.9	108.5	173	-62.7	162.6	0	0	0	107.1	Y524 S547	Y524-L549 HydrophobicContact CE1-CB 4.31Å; Y524-L549 WeakPolarHBondContact OH-CB 3.29Å; Y524-L549 PolarHBondContact OH-O 3.5Å; S547-L549 CarbonylContact O-C 3.57Å; S547-L549 PolarHBondContact O-N 3.15Å; S547-L549 VanDerWaalsContact O-O 3.13Å
550	I	44.8	Very low	48.9	Very low	135 Å²	135	92 Å²	92	69%	0.692	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-77	123.7	173.5	-60.5	164.3	0	0	0	106.2
551	P	55.5	Low	49.3	Very low	25 Å²	25	95.3 Å²	95.3	16%	0.162	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-56.9	143.3	174.1	22	-30.4	0	0	0	109.9	W522 Y524 I580	W522-P551 HydrophobicContact CB-CB 4.43Å; W522-P551 HydrophobicContact CB-CG 4.49Å; Y524-P551 HydrophobicContact CE2-CB 4.44Å; P551-I580 HydrophobicContact CG-CD1 4.23Å
552	F	55.2	Low	50.5	Low	145 Å²	145	97.2 Å²	97.2	64%	0.636	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.8	178.9	-63.9	-84.5	0	0	0	109.9	W522 G523 Y524 L554	W522-F552 WeakPolarHBondContact CA-O 3.31Å; G523-F552 PolarHBondContact N-O 2.83Å; G523-F552 PolarHBondContact O-N 2.71Å; Y524-F552 HydrophobicContact CD1-CD2 4.32Å; Y524-F552 HydrophobicContact CD1-CE2 4.48Å; F552-L554 PolarHBondContact O-N 3.08Å
553	Y	58.5	Low	52.4	Low	112 Å²	112	93.6 Å²	93.6	44%	0.439	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	117.9	166	173.9	-97.8	0	0	0	108.8	D520 W522 S556	D520-Y553 HydrophobicContact CB-CE2 4.03Å; W522-Y553 AromaticContact CE2-CD2 3.97Å; W522-Y553 HydrophobicContact CZ2-CD2 4.06Å; Y553-S556 WeakPolarHBondContact OH-CB 3.1Å; Y553-S556 PolarHBondContact OH-N 2.75Å; Y553-S556 VanDerWaalsContact OH-N 3.1Å
554	L	59.2	Low	54.7	Low	39 Å²	39	88.6 Å²	88.6	20%	0.204	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-54.6	-175.7	-66.1	169.5	0	0	0	110.7	L521 F552 I564 I566	L521-L554 HydrophobicContact CB-CB 4.48Å; L521-L554 WeakPolarHBondContact O-CB 3.43Å; L521-L554 PolarHBondContact O-N 2.65Å; F552-L554 PolarHBondContact O-N 3.08Å; L554-I564 HydrophobicContact CB-CD1 4.3Å; L554-I564 HydrophobicContact CB-CG2 4.16Å; L554-I564 HydrophobicContact CD1-CG2 4.18Å; L554-I566 HydrophobicContact CD1-CG2 4.22Å
555	I	59	Low	56.8	Low	43 Å²	43	89.9 Å²	89.9	22%	0.221	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	156	-179.3	-102.6	151	0	0	0	109.6	L521 I564	L521-I555 PolarHBondContact N-O 3.46Å; I555-I564 HydrophobicContact CB-CD1 3.63Å; I555-I564 HydrophobicContact CB-CG1 3.96Å; I555-I564 HydrophobicContact CD1-CG1 3.86Å; I555-I564 HydrophobicContact CG2-CD1 3.69Å; I555-I564 HydrophobicContact CG2-CG1 4.03Å
556	S	62.1	Low	59	Low	2 Å²	2	81.8 Å²	81.8	1%	0.014	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.1	162.8	174.1	0	0	0	0	111.3	I518 I519 D520 Y553 E558 N559	I518-S556 WeakPolarHBondContact CG2-OG 3.4Å; I519-S556 CarbonylContact O-C 3.52Å; I519-S556 VanDerWaalsContact O-CA 3.28Å; I519-S556 WeakPolarHBondContact O-CA 3.2Å; D520-S556 WeakPolarHBondContact OD1-CB 3.23Å; D520-S556 PolarHBondContact OD1-OG 3.49Å; Y553-S556 WeakPolarHBondContact OH-CB 3.1Å; Y553-S556 PolarHBondContact OH-N 2.75Å; Y553-S556 VanDerWaalsContact OH-N 3.1Å; S556-E558 PolarHBondContact O-N 2.74Å; S556-E558 VanDerWaalsContact O-N 3.07Å; S556-E558 PolarHBondContact OG-N 3.08Å; S556-E558 VanDerWaalsContact OG-N 3.11Å; S556-N559 PolarHBondContact O-N 2.89Å
557	S	61.8	Low	61.2	Low	13 Å²	13	78.5 Å²	78.5	9%	0.091	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-58.4	-13.6	169.3	64.1	0	0	0	0	114.2	I518 I519 N559 S560	I518-S557 WeakPolarHBondContact CA-OG 3.32Å; I519-S557 PolarHBondContact N-OG 3.16Å; I519-S557 PolarHBondContact O-N 2.83Å; S557-N559 PolarHBondContact O-N 2.71Å; S557-N559 VanDerWaalsContact O-N 3.1Å; S557-S560 WeakPolarHBondContact O-CA 3.45Å; S557-S560 WeakPolarHBondContact O-CB 3.29Å; S557-S560 PolarHBondContact O-N 2.78Å; S557-S560 PolarHBondContact O-OG 2.94Å
558	E	61.1	Low	63.4	Low	140 Å²	140	76.2 Å²	76.2	65%	0.654	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-53.5	-28.4	169.2	-72.4	-173.7	172.5	0	0	111.9	I518 S556	I518-E558 HydrophobicContact CD1-CG 4.4Å; I518-E558 HydrophobicContact CG1-CG 4.44Å; I518-E558 HydrophobicContact CG2-CG 4.11Å; S556-E558 PolarHBondContact O-N 2.74Å; S556-E558 VanDerWaalsContact O-N 3.07Å; S556-E558 PolarHBondContact OG-N 3.08Å; S556-E558 VanDerWaalsContact OG-N 3.11Å
559	N	54.3	Low	65.7	Low	110 Å²	110	70.5 Å²	70.5	59%	0.588	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-107.2	25.5	178.6	-62.7	-38.2	0	0	0	113.5	S556 S557 F561	S556-N559 PolarHBondContact O-N 2.89Å; S557-N559 PolarHBondContact O-N 2.71Å; S557-N559 VanDerWaalsContact O-N 3.1Å; N559-F561 PolarHBondContact O-N 3.2Å
560	S	56.6	Low	68	Low	60 Å²	60	65.5 Å²	65.5	42%	0.42	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-1.7	-160.3	50.3	0	0	0	0	121.4	S557	S557-S560 WeakPolarHBondContact O-CA 3.45Å; S557-S560 WeakPolarHBondContact O-CB 3.29Å; S557-S560 PolarHBondContact O-N 2.78Å; S557-S560 PolarHBondContact O-OG 2.94Å
561	F	54.5	Low	69.9	Low	194 Å²	194	63.6 Å²	63.6	85%	0.851	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.5	-178.5	-65.9	-70.3	0	0	0	115.1	N559	N559-F561 PolarHBondContact O-N 3.2Å
562	I	65.1	Low	71.4	Confident	115 Å²	115	62.7 Å²	62.7	59%	0.59	30%	0.304	S	S	*	.	S	Bend	trans	-104.3	112	-178	-53.7	170.9	0	0	0	109.2
563	P	79.3	Confident	72.8	Confident	45 Å²	45	59.5 Å²	59.5	29%	0.292	29%	0.293	S	S	.	.			trans	-64.5	140	174.7	26.8	-33.2	0	0	0	110.8	H565 L659 N661	P563-H565 PolarHBondContact O-CD2 3.29Å; P563-H565 VanDerWaalsContact O-CD2 3.23Å; P563-L659 WeakPolarHBondContact CA-O 3.36Å; P563-L659 HydrophobicContact CB-CB 4.14Å; P563-L659 HydrophobicContact CB-CD2 4.02Å; P563-L659 HydrophobicContact CB-CG 4.18Å; P563-N661 WeakPolarHBondContact CB-ND2 3.47Å
564	I	81.7	Confident	74	Confident	9 Å²	9	58 Å²	58	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.8	-179.4	-59.2	173.8	0	0	0	108.2	L521 L554 I555 I566 V658 L659 L660 N661	L521-I564 HydrophobicContact CB-CD1 3.9Å; L521-I564 HydrophobicContact CD1-CD1 3.46Å; L521-I564 VanDerWaalsContact CD1-CD1 3.46Å; L521-I564 HydrophobicContact CG-CD1 4.31Å; L554-I564 HydrophobicContact CB-CD1 4.3Å; L554-I564 HydrophobicContact CB-CG2 4.16Å; L554-I564 HydrophobicContact CD1-CG2 4.18Å; I555-I564 HydrophobicContact CB-CD1 3.63Å; I555-I564 HydrophobicContact CB-CG1 3.96Å; I555-I564 HydrophobicContact CD1-CG1 3.86Å; I555-I564 HydrophobicContact CG2-CD1 3.69Å; I555-I564 HydrophobicContact CG2-CG1 4.03Å; I564-I566 HydrophobicContact CG2-CG2 4.44Å; I564-V658 HydrophobicContact CD1-CG1 3.85Å; I564-V658 HydrophobicContact CG1-CG1 4.37Å; I564-L659 PolarHBondContact N-O 2.93Å; I564-L660 HydrophobicContact CB-CD1 3.98Å; I564-L660 HydrophobicContact CG2-CD1 3.81Å; I564-N661 WeakPolarHBondContact O-CA 3.26Å; I564-N661 WeakPolarHBondContact O-CB 3.35Å; I564-N661 PolarHBondContact O-N 2.81Å
565	H	84.4	Confident	75.2	Confident	80 Å²	80	65 Å²	65	37%	0.37	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.6	178.6	-66.8	-90.4	0	0	0	110.5	P563 N661 H663	P563-H565 PolarHBondContact O-CD2 3.29Å; P563-H565 VanDerWaalsContact O-CD2 3.23Å; H565-N661 WeakPolarHBondContact CA-O 3.28Å; H565-N661 PolarHBondContact CE1-ND2 3.43Å; H565-N661 VanDerWaalsContact ND1-CB 3.32Å; H565-N661 WeakPolarHBondContact ND1-CB 3.29Å; H565-N661 PolarHBondContact NE2-ND2 2.72Å; H565-H663 AromaticContact CE1-NE2 3.67Å; H565-H663 AromaticContact CG-NE2 3.78Å; H565-H663 AromaticContact ND1-CD2 3.51Å; H565-H663 AromaticContact ND1-CE1 3.98Å; H565-H663 AromaticContact ND1-NE2 2.86Å; H565-H663 PolarHBondContact ND1-NE2 2.97Å
566	I	86.5	Confident	76.4	Confident	1 Å²	1	63 Å²	63	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.2	169.2	66	172.5	0	0	0	109.6	Y524 K525 L554 I564 V568 L578 L660 N661 I662 H663	Y524-I566 WeakPolarHBondContact O-CG2 3.3Å; K525-I566 CarbonylContact O-C 3.54Å; K525-I566 WeakPolarHBondContact O-CA 3.47Å; L554-I566 HydrophobicContact CD1-CG2 4.22Å; I564-I566 HydrophobicContact CG2-CG2 4.44Å; I566-V568 HydrophobicContact CD1-CG2 4.21Å; I566-V568 HydrophobicContact CG1-CG2 4.37Å; I566-L578 HydrophobicContact CD1-CB 4.49Å; I566-L578 HydrophobicContact CD1-CD2 4.41Å; I566-L660 HydrophobicContact CD1-CD1 4.25Å; I566-L660 HydrophobicContact CD1-CD2 4.35Å; I566-L660 HydrophobicContact CG1-CD1 4.13Å; I566-L660 HydrophobicContact CG2-CD1 4.08Å; I566-N661 PolarHBondContact N-O 2.84Å; I566-I662 HydrophobicContact CD1-CD1 4.21Å; I566-I662 HydrophobicContact CD1-CG1 3.91Å; I566-I662 HydrophobicContact CD1-CG2 4.44Å; I566-I662 HydrophobicContact CG1-CB 4.26Å; I566-I662 HydrophobicContact CG1-CG1 3.87Å; I566-I662 HydrophobicContact CG1-CG2 4.22Å; I566-H663 PolarHBondContact O-N 2.81Å
567	W	83.6	Confident	77.4	Confident	94 Å²	94	63.7 Å²	63.7	36%	0.356	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.2	177.5	-64.7	81	0	0	0	110.9	K525 E526 I527 H663 K665	K525-W567 PolarHBondContact O-N 3.13Å; E526-W567 CarbonylContact C-O 3.52Å; E526-W567 VanDerWaalsContact CA-O 3.26Å; E526-W567 WeakPolarHBondContact CA-O 3.27Å; E526-W567 HydrophobicContact CG-CB 4.18Å; I527-W567 PolarHBondContact N-O 2.84Å; W567-H663 CarbonylContact C-O 3.52Å; W567-H663 VanDerWaalsContact CA-O 3.28Å; W567-H663 WeakPolarHBondContact CA-O 3.31Å; W567-H663 HydrophobicContact CD2-CB 3.54Å; W567-H663 HydrophobicContact CE3-CB 3.33Å; W567-H663 HydrophobicContact CG-CB 4.21Å; W567-H663 HydrophobicContact CH2-CB 3.91Å; W567-H663 AromaticContact CH2-CG 3.95Å; W567-H663 AromaticContact CH2-ND1 3.89Å; W567-H663 HydrophobicContact CZ2-CB 4.1Å; W567-H663 AromaticContact CZ2-CG 3.92Å; W567-H663 HydrophobicContact CZ3-CB 3.53Å; W567-K665 HydrophobicContact CB-CD 4.32Å; W567-K665 HydrophobicContact CB-CG 4.12Å; W567-K665 HydrophobicContact CE3-CG 3.88Å
568	V	88.3	Confident	78.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.5	-172.1	178.8	0	0	0	0	109.7	I527 I566 L572 L578 L631 I662 H663 I664 K665	I527-V568 HydrophobicContact CB-CG2 4.49Å; I527-V568 HydrophobicContact CD1-CG2 4.38Å; I566-V568 HydrophobicContact CD1-CG2 4.21Å; I566-V568 HydrophobicContact CG1-CG2 4.37Å; V568-L572 HydrophobicContact CG1-CB 4.05Å; V568-L572 HydrophobicContact CG1-CD2 3.4Å; V568-L572 HydrophobicContact CG1-CG 4.31Å; V568-L578 HydrophobicContact CB-CD2 4.47Å; V568-L578 HydrophobicContact CG1-CD2 4.12Å; V568-L578 HydrophobicContact CG2-CD2 3.56Å; V568-L631 HydrophobicContact CG1-CD1 3.82Å; V568-I662 HydrophobicContact CB-CG2 4.07Å; V568-I662 HydrophobicContact CG2-CG2 3.62Å; V568-H663 PolarHBondContact N-O 3.43Å; V568-I664 CarbonylContact O-C 3.57Å; V568-I664 WeakPolarHBondContact O-CA 3.19Å; V568-K665 PolarHBondContact O-N 3.34Å
569	S	87.4	Confident	79.5	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.028	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.4	172.1	-178.8	0	0	0	0	110.7	I527 L571 L572 E667	I527-S569 PolarHBondContact O-N 3.23Å; S569-L571 PolarHBondContact O-N 2.98Å; S569-L571 PolarHBondContact OG-N 2.91Å; S569-L572 VanDerWaalsContact O-CB 3.27Å; S569-L572 WeakPolarHBondContact O-CB 3.36Å; S569-L572 PolarHBondContact O-N 3.47Å; S569-E667 WeakPolarHBondContact CB-OE1 3.21Å; S569-E667 VanDerWaalsContact OG-CD 3.31Å; S569-E667 WeakPolarHBondContact OG-CG 3.24Å; S569-E667 PolarHBondContact OG-OE1 2.73Å
570	E	88.8	Confident	81	Confident	10 Å²	10	53 Å²	53	5%	0.047	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.1	176.4	71.7	-166	125.4	0	0	113.4	L572 L631 Y633 I664 E667	E570-L572 PolarHBondContact O-N 3.22Å; E570-L572 VanDerWaalsContact O-N 3.08Å; E570-L631 HydrophobicContact CB-CB 4.31Å; E570-Y633 WeakPolarHBondContact OE2-CB 3.16Å; E570-Y633 PolarHBondContact OE2-N 2.63Å; E570-I664 HydrophobicContact CB-CG2 3.67Å; E570-E667 HydrophobicContact CG-CB 4.15Å; E570-E667 HydrophobicContact CG-CG 3.91Å; E570-E667 WeakPolarHBondContact OE1-CA 3.29Å; E570-E667 VanDerWaalsContact OE1-CB 3.29Å; E570-E667 WeakPolarHBondContact OE1-CB 3.07Å; E570-E667 PolarHBondContact OE1-N 2.72Å
571	L	85.7	Confident	82.5	Confident	94 Å²	94	50.2 Å²	50.2	49%	0.492	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	12.5	175	-60.9	174.4	0	0	0	113.6	S530 S569 N573 E667	S530-L571 WeakPolarHBondContact CB-O 3.36Å; S569-L571 PolarHBondContact O-N 2.98Å; S569-L571 PolarHBondContact OG-N 2.91Å; L571-N573 PolarHBondContact O-N 2.84Å; L571-E667 HydrophobicContact CD1-CB 4.27Å; L571-E667 HydrophobicContact CD1-CG 4.05Å; L571-E667 HydrophobicContact CG-CB 4.47Å; L571-E667 HydrophobicContact CG-CG 4.1Å
572	L	86.5	Confident	84	Confident	7 Å²	7	44 Å²	44	4%	0.037	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68.7	128	178.4	-172.5	64.7	0	0	0	111.1	I527 V568 S569 E570 I574 S576 L578 L627	I527-L572 HydrophobicContact CG2-CD1 3.89Å; I527-L572 HydrophobicContact CG2-CD2 4.44Å; V568-L572 HydrophobicContact CG1-CB 4.05Å; V568-L572 HydrophobicContact CG1-CD2 3.4Å; V568-L572 HydrophobicContact CG1-CG 4.31Å; S569-L572 VanDerWaalsContact O-CB 3.27Å; S569-L572 WeakPolarHBondContact O-CB 3.36Å; S569-L572 PolarHBondContact O-N 3.47Å; E570-L572 PolarHBondContact O-N 3.22Å; E570-L572 VanDerWaalsContact O-N 3.08Å; L572-I574 PolarHBondContact O-N 3.11Å; L572-S576 WeakPolarHBondContact CD2-OG 3.42Å; L572-S576 VanDerWaalsContact CG-OG 3.32Å; L572-S576 WeakPolarHBondContact CG-OG 3.4Å; L572-L578 HydrophobicContact CD2-CD2 3.93Å; L572-L578 HydrophobicContact CD2-CG 4.48Å; L572-L627 HydrophobicContact CB-CD2 4.3Å; L572-L627 HydrophobicContact CD2-CD2 4.27Å; L572-L627 HydrophobicContact CG-CD2 4.25Å
573	N	84.4	Confident	85.1	Confident	77 Å²	77	38.5 Å²	38.5	41%	0.412	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-64.6	136.1	-179.4	-75.1	-49.5	0	0	0	112.3	S530 L571 R575 S576	S530-N573 PolarHBondContact O-N 3.22Å; S530-N573 PolarHBondContact O-ND2 3.42Å; L571-N573 PolarHBondContact O-N 2.84Å; N573-R575 PolarHBondContact O-N 3.27Å; N573-S576 VanDerWaalsContact O-CB 3.24Å; N573-S576 WeakPolarHBondContact O-CB 3.36Å; N573-S576 PolarHBondContact O-N 2.84Å; N573-S576 VanDerWaalsContact O-N 3.13Å; N573-S576 PolarHBondContact O-OG 2.93Å; N573-S576 VanDerWaalsContact O-OG 3.06Å
574	I	84.8	Confident	85.4	Confident	80 Å²	80	38.8 Å²	38.8	41%	0.41	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	142.2	171.3	-55.5	173.4	0	0	0	109.4	L572 S576 S628	L572-I574 PolarHBondContact O-N 3.11Å; I574-S576 VanDerWaalsContact C-N 3.34Å; I574-S628 WeakPolarHBondContact CG2-O 3.45Å
575	R	83.5	Confident	85.7	Confident	187 Å²	187	39 Å²	39	71%	0.706	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	9.5	-171.9	-51.6	-173.2	171.8	178.3	-3.3	116	N573 I626 L627	N573-R575 PolarHBondContact O-N 3.27Å; R575-I626 HydrophobicContact CB-CG2 4.41Å; R575-L627 VanDerWaalsContact CA-O 3.28Å; R575-L627 WeakPolarHBondContact CA-O 3.27Å; R575-L627 PolarHBondContact N-O 3.06Å
576	S	84.3	Confident	85.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.6	167	58.1	0	0	0	0	111.8	L572 N573 I574 I626 L627	L572-S576 WeakPolarHBondContact CD2-OG 3.42Å; L572-S576 VanDerWaalsContact CG-OG 3.32Å; L572-S576 WeakPolarHBondContact CG-OG 3.4Å; N573-S576 VanDerWaalsContact O-CB 3.24Å; N573-S576 WeakPolarHBondContact O-CB 3.36Å; N573-S576 PolarHBondContact O-N 2.84Å; N573-S576 VanDerWaalsContact O-N 3.13Å; N573-S576 PolarHBondContact O-OG 2.93Å; N573-S576 VanDerWaalsContact O-OG 3.06Å; I574-S576 VanDerWaalsContact C-N 3.34Å; S576-I626 WeakPolarHBondContact O-CA 3.41Å; S576-L627 PolarHBondContact O-N 2.64Å; S576-L627 VanDerWaalsContact O-N 3.08Å; S576-L627 WeakPolarHBondContact OG-CB 3.42Å
577	I	82.9	Confident	85.9	Confident	17 Å²	17	38.9 Å²	38.9	9%	0.087	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.9	169.9	-59.7	166.9	0	0	0	109.1	I533 M535 Y624 I626	I533-I577 PolarHBondContact O-N 2.83Å; M535-I577 HydrophobicContact CE-CD1 4.41Å; M535-I577 HydrophobicContact CG-CD1 4.23Å; I577-Y624 HydrophobicContact CD1-CD1 4.09Å; I577-Y624 HydrophobicContact CD1-CE1 4.46Å; I577-Y624 HydrophobicContact CD1-CG 4.47Å; I577-Y624 HydrophobicContact CG2-CD1 3.84Å; I577-I626 HydrophobicContact CG1-CG1 4.27Å
578	L	83.4	Confident	86	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-46.2	179.5	-66.3	131	0	0	0	112.1	I527 I566 V568 L572 F603 I625 L627	I527-L578 HydrophobicContact CD1-CB 4.42Å; I527-L578 HydrophobicContact CD1-CD2 4.08Å; I566-L578 HydrophobicContact CD1-CB 4.49Å; I566-L578 HydrophobicContact CD1-CD2 4.41Å; V568-L578 HydrophobicContact CB-CD2 4.47Å; V568-L578 HydrophobicContact CG1-CD2 4.12Å; V568-L578 HydrophobicContact CG2-CD2 3.56Å; L572-L578 HydrophobicContact CD2-CD2 3.93Å; L572-L578 HydrophobicContact CD2-CG 4.48Å; L578-F603 HydrophobicContact CD1-CD1 3.41Å; L578-F603 VanDerWaalsContact CD1-CD1 3.41Å; L578-F603 HydrophobicContact CD1-CE1 3.4Å; L578-F603 VanDerWaalsContact CD1-CE1 3.4Å; L578-F603 HydrophobicContact CD2-CE1 4.44Å; L578-I625 HydrophobicContact CD1-CG2 4.12Å; L578-I625 PolarHBondContact N-O 2.89Å; L578-L627 HydrophobicContact CD1-CB 4.25Å
579	S	83.5	Confident	85.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.7	-174.2	-172.8	0	0	0	0	110.2	W522 I625	W522-S579 CarbonylContact O-C 3.57Å; W522-S579 VanDerWaalsContact O-CA 3.32Å; W522-S579 WeakPolarHBondContact O-CA 3.45Å; W522-S579 PolarHBondContact O-OG 2.91Å; S579-I625 PolarHBondContact O-N 2.88Å
580	I	85.4	Confident	85.8	Confident	34 Å²	34	46.1 Å²	46.1	17%	0.174	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.9	172.9	-49.8	176	0	0	0	107.4	W522 P551 K582 Y623 Y624	W522-I580 HydrophobicContact CB-CB 4.22Å; W522-I580 PolarHBondContact N-O 2.85Å; W522-I580 PolarHBondContact O-N 2.88Å; P551-I580 HydrophobicContact CG-CD1 4.23Å; I580-K582 HydrophobicContact CG2-CG 4.28Å; I580-Y623 CarbonylContact C-O 3.57Å; I580-Y623 WeakPolarHBondContact CA-O 3.43Å; I580-Y624 HydrophobicContact CD1-CD1 4.47Å; I580-Y624 HydrophobicContact CD1-CE1 3.9Å; I580-Y624 HydrophobicContact CG1-CD1 3.88Å; I580-Y624 HydrophobicContact CG1-CE1 3.79Å; I580-Y624 HydrophobicContact CG2-CD1 4.48Å; I580-Y624 HydrophobicContact CG2-CE1 4.29Å
581	V	87.9	Confident	85.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.5	175.3	-167.1	0	0	0	0	107	I519 L521 V583 L605 S622 Y623 I625 I643	I519-V581 HydrophobicContact CG2-CG1 3.5Å; L521-V581 HydrophobicContact CD2-CB 4.29Å; L521-V581 HydrophobicContact CD2-CG1 4.36Å; L521-V581 HydrophobicContact CD2-CG2 3.72Å; V581-V583 HydrophobicContact CG1-CG2 3.96Å; V581-L605 HydrophobicContact CG2-CD1 3.84Å; V581-S622 CarbonylContact O-C 3.54Å; V581-S622 VanDerWaalsContact O-CA 3.26Å; V581-S622 WeakPolarHBondContact O-CA 3.28Å; V581-Y623 PolarHBondContact N-O 2.75Å; V581-Y623 PolarHBondContact O-N 2.85Å; V581-I625 HydrophobicContact CG2-CD1 3.88Å; V581-I625 HydrophobicContact CG2-CG1 3.85Å; V581-I643 HydrophobicContact CG1-CG2 4.17Å; V581-I643 HydrophobicContact CG2-CD1 4.22Å
582	K	87.3	Confident	85.6	Confident	64 Å²	64	42.8 Å²	42.8	28%	0.278	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.1	172.6	-67.6	-174.7	-180	179.6	0	108.6	D520 I580 M620	D520-K582 HydrophobicContact CB-CB 4.32Å; D520-K582 PolarHBondContact N-O 2.94Å; D520-K582 PolarHBondContact O-N 2.76Å; I580-K582 HydrophobicContact CG2-CG 4.28Å; K582-M620 HydrophobicContact CB-CE 4.24Å; K582-M620 HydrophobicContact CD-CE 4.13Å
583	V	87.6	Confident	85.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.6	-178.2	-170.7	0	0	0	0	110.5	P517 I518 I519 V581 V594 C596 M620 K621 C645	P517-V583 HydrophobicContact CB-CG1 3.81Å; I518-V583 VanDerWaalsContact O-CA 3.29Å; I518-V583 WeakPolarHBondContact O-CA 3.28Å; I519-V583 HydrophobicContact CB-CG2 4.47Å; I519-V583 HydrophobicContact CG1-CG1 4.39Å; I519-V583 HydrophobicContact CG1-CG2 4.04Å; I519-V583 HydrophobicContact CG2-CG2 4.4Å; V581-V583 HydrophobicContact CG1-CG2 3.96Å; V583-V594 HydrophobicContact CB-CG2 4Å; V583-V594 HydrophobicContact CG1-CB 4Å; V583-V594 HydrophobicContact CG1-CG1 4.04Å; V583-V594 HydrophobicContact CG1-CG2 3.82Å; V583-C596 WeakPolarHBondContact CG2-SG 3.42Å; V583-M620 VanDerWaalsContact O-CA 3.3Å; V583-M620 WeakPolarHBondContact O-CA 2.93Å; V583-K621 PolarHBondContact N-O 2.82Å; V583-K621 PolarHBondContact O-N 2.89Å; V583-K621 VanDerWaalsContact O-N 3.17Å; V583-C645 HydrophobicContact CG1-CB 4.2Å; V583-C645 HydrophobicContact CG2-CB 4.4Å
584	N	85.7	Confident	85.7	Confident	50 Å²	50	40.8 Å²	40.8	27%	0.267	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142	179.2	172.7	33.5	0	0	0	108.8	P517 I518 M620	P517-N584 CarbonylContact C-O 3.57Å; I518-N584 PolarHBondContact N-O 3.08Å; I518-N584 PolarHBondContact O-N 3.02Å; N584-M620 HydrophobicContact CB-CG 4.26Å
585	D	88.1	Confident	85.9	Confident	13 Å²	13	40.8 Å²	40.8	7%	0.07	20%	0.204	C	C	.	.			trans	-127.8	140	168.7	-155.8	-44.8	0	0	0	108.3	P517 D587 V594	P517-D585 WeakPolarHBondContact CA-OD2 3.38Å; P517-D585 WeakPolarHBondContact CD-OD2 3.27Å; D585-D587 PolarHBondContact OD1-N 2.92Å; D585-V594 HydrophobicContact CB-CG1 3.7Å
586	L	85.9	Confident	86.3	Confident	69 Å²	69	32.3 Å²	32.3	36%	0.361	17%	0.173	S	C	.	.	S	Bend	trans	-84.6	-15.8	-175.3	-63.5	178.2	0	0	0	112.3	R479 E480 N515	R479-L586 PolarHBondContact NH2-O 2.85Å; R479-L586 VanDerWaalsContact NH2-O 3.11Å; E480-L586 HydrophobicContact CG-CB 3.84Å; N515-L586 HydrophobicContact CB-CB 4.23Å
587	D	90	Very high	86.6	Confident	11 Å²	11	35.2 Å²	35.2	6%	0.059	19%	0.188	C	C	.	.	S	Bend	trans	-71.7	165.4	176.4	-64.4	-13.2	0	0	0	111.5	N513 D514 N515 D585 N591 G592	N513-D587 WeakPolarHBondContact CA-OD2 3.42Å; N513-D587 PolarHBondContact OD1-OD2 2.92Å; N513-D587 VanDerWaalsContact OD1-OD2 3.13Å; D514-D587 PolarHBondContact N-OD2 2.9Å; N515-D587 VanDerWaalsContact CB-OD1 3.3Å; N515-D587 WeakPolarHBondContact CB-OD1 3.25Å; N515-D587 PolarHBondContact N-OD1 3.3Å; N515-D587 PolarHBondContact N-OD2 2.77Å; N515-D587 PolarHBondContact ND2-OD1 3.02Å; D585-D587 PolarHBondContact OD1-N 2.92Å; D587-N591 HydrophobicContact CB-CB 3.65Å; D587-G592 WeakPolarHBondContact O-CA 3.24Å
588	Q	84.4	Confident	87.1	Confident	114 Å²	114	35.3 Å²	35.3	53%	0.533	19%	0.188	S	C	.	.			trans	-104.1	148.7	-177.9	178.1	179	15.7	0	0	113.7	R479 D511 I590 N591	R479-Q588 VanDerWaalsContact NH1-OE1 3.09Å; D511-Q588 HydrophobicContact CB-CB 4.49Å; D511-Q588 PolarHBondContact OD1-N 2.78Å; Q588-I590 PolarHBondContact O-N 3.18Å; Q588-N591 PolarHBondContact O-N 2.77Å
589	G	85.8	Confident	87.3	Confident	27 Å²	27	42.4 Å²	42.4	28%	0.278	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-128.2	171.4	0	0	0	0	0	111.1	N591 G592 T593	G589-N591 VanDerWaalsContact C-N 3.32Å; G589-N591 PolarHBondContact O-N 2.77Å; G589-G592 CarbonylContact O-C 3.54Å; G589-G592 PolarHBondContact O-N 2.84Å; G589-T593 PolarHBondContact O-N 3.11Å; G589-T593 PolarHBondContact O-OG1 3.07Å
590	I	85.5	Confident	87.7	Confident	109 Å²	109	44.7 Å²	44.7	56%	0.559	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-36.2	-177.5	-64.6	173.7	0	0	0	111.2	Q588 G592 T593 L648	Q588-I590 PolarHBondContact O-N 3.18Å; I590-G592 VanDerWaalsContact C-N 3.3Å; I590-G592 PolarHBondContact O-N 3.23Å; I590-T593 PolarHBondContact O-N 3.1Å; I590-T593 VanDerWaalsContact O-N 3.16Å; I590-L648 HydrophobicContact CG2-CB 3.75Å; I590-L648 WeakPolarHBondContact CG2-O 3.39Å; I590-L648 CarbonylContact O-C 3.45Å
591	N	86.5	Confident	87.8	Confident	21 Å²	21	46.2 Å²	46.2	11%	0.112	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-35.8	175.8	-63.1	-20.9	0	0	0	111.1	D511 N513 D587 Q588 G589 D647 G649 V650	D511-N591 WeakPolarHBondContact OD2-CB 3.3Å; D511-N591 PolarHBondContact OD2-ND2 2.74Å; N513-N591 HydrophobicContact CB-CB 4.1Å; N513-N591 PolarHBondContact N-ND2 2.88Å; N513-N591 WeakPolarHBondContact OD1-CB 3.48Å; N513-N591 PolarHBondContact OD1-O 2.82Å; D587-N591 HydrophobicContact CB-CB 3.65Å; Q588-N591 PolarHBondContact O-N 2.77Å; G589-N591 VanDerWaalsContact C-N 3.32Å; G589-N591 PolarHBondContact O-N 2.77Å; N591-D647 WeakPolarHBondContact O-CB 3.26Å; N591-G649 WeakPolarHBondContact OD1-CA 3.34Å; N591-V650 PolarHBondContact OD1-N 2.99Å; N591-V650 VanDerWaalsContact OD1-N 3.17Å
592	G	84.4	Confident	87.9	Confident	13 Å²	13	48.8 Å²	48.8	13%	0.134	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.1	173.4	0	0	0	0	0	115.9	D587 G589 I590 V594	D587-G592 WeakPolarHBondContact O-CA 3.24Å; G589-G592 CarbonylContact O-C 3.54Å; G589-G592 PolarHBondContact O-N 2.84Å; I590-G592 VanDerWaalsContact C-N 3.3Å; I590-G592 PolarHBondContact O-N 3.23Å; G592-V594 PolarHBondContact O-N 3.3Å
593	T	86	Confident	88.2	Confident	35 Å²	35	45.8 Å²	45.8	22%	0.215	25%	0.249	C	C	.	.			trans	-87.3	114.2	-173.1	-61.8	0	0	0	0	110.8	G589 I590 D647 L648	G589-T593 PolarHBondContact O-N 3.11Å; G589-T593 PolarHBondContact O-OG1 3.07Å; I590-T593 PolarHBondContact O-N 3.1Å; I590-T593 VanDerWaalsContact O-N 3.16Å; T593-D647 CarbonylContact O-C 3.36Å; T593-D647 WeakPolarHBondContact O-CA 3.3Å; T593-L648 HydrophobicContact CG2-CD1 3.82Å; T593-L648 HydrophobicContact CG2-CG 4.42Å; T593-L648 WeakPolarHBondContact O-CG 3.49Å; T593-L648 PolarHBondContact O-N 3.05Å
594	V	87.7	Confident	88.4	Confident	6 Å²	6	50 Å²	50	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	153.3	-173.2	-57.9	0	0	0	0	114.4	P517 V583 D585 G592 K621 Y646	P517-V594 HydrophobicContact CB-CG1 3.71Å; V583-V594 HydrophobicContact CB-CG2 4Å; V583-V594 HydrophobicContact CG1-CB 4Å; V583-V594 HydrophobicContact CG1-CG1 4.04Å; V583-V594 HydrophobicContact CG1-CG2 3.82Å; D585-V594 HydrophobicContact CB-CG1 3.7Å; G592-V594 PolarHBondContact O-N 3.3Å; V594-K621 HydrophobicContact CG2-CB 4.24Å; V594-K621 HydrophobicContact CG2-CD 4.31Å; V594-K621 HydrophobicContact CG2-CG 4.36Å; V594-K621 VanDerWaalsContact O-CD 3.28Å; V594-K621 WeakPolarHBondContact O-CD 3.43Å; V594-K621 WeakPolarHBondContact O-CE 3.34Å; V594-K621 PolarHBondContact O-NZ 2.72Å; V594-Y646 CarbonylContact C-O 3.54Å; V594-Y646 WeakPolarHBondContact CA-O 3.34Å
595	Q	88.5	Confident	88.7	Confident	81 Å²	81	48.7 Å²	48.7	38%	0.379	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.3	168.3	-176.3	172.8	-5.1	0	0	110.5	C645 Y646	Q595-C645 CarbonylContact O-C 3.52Å; Q595-C645 WeakPolarHBondContact O-CA 3.1Å; Q595-Y646 HydrophobicContact CB-CE1 4.41Å; Q595-Y646 HydrophobicContact CB-CE2 4.06Å; Q595-Y646 HydrophobicContact CG-CE1 4.45Å; Q595-Y646 PolarHBondContact N-O 3.13Å; Q595-Y646 WeakPolarHBondContact O-CD1 3.37Å; Q595-Y646 PolarHBondContact O-N 3.03Å; Q595-Y646 PolarHBondContact OE1-OH 3.1Å
596	C	91.8	Very high	88.6	Confident	8 Å²	8	51.9 Å²	51.9	5%	0.054	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.6	177.7	-59.6	0	0	0	0	112.6	V583 L605 Y623 L644 C645	V583-C596 WeakPolarHBondContact CG2-SG 3.42Å; C596-L605 HydrophobicContact CB-CD2 3.67Å; C596-Y623 HydrophobicContact CB-CD1 4.46Å; C596-Y623 HydrophobicContact CB-CD2 3.97Å; C596-Y623 HydrophobicContact CB-CE1 4.18Å; C596-Y623 HydrophobicContact CB-CE2 3.68Å; C596-Y623 HydrophobicContact CB-CG 4.37Å; C596-Y623 PolarHBondContact N-OH 3.17Å; C596-Y623 VanDerWaalsContact SG-CE2 3.53Å; C596-L644 CarbonylContact C-O 3.47Å; C596-L644 WeakPolarHBondContact CA-O 3.24Å; C596-C645 HydrophobicContact CB-CB 4.13Å; C596-C645 WeakPolarHBondContact CB-SG 3.15Å; C596-C645 WeakPolarHBondContact SG-CB 3.17Å; C596-C645 CovalentContact SG-SG 2.05Å; C596-C645 PolarHBondContact SG-SG 3.06Å
597	I	91.4	Very high	88.6	Confident	62 Å²	62	52.2 Å²	52.2	32%	0.318	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.9	175.1	63.5	173.5	0	0	0	111.2	L644 Y646	I597-L644 HydrophobicContact CD1-CD2 4.07Å; I597-L644 HydrophobicContact CG1-CB 4.09Å; I597-L644 HydrophobicContact CG1-CD2 4.23Å; I597-L644 HydrophobicContact CG1-CG 4.35Å; I597-L644 PolarHBondContact N-O 2.75Å; I597-L644 PolarHBondContact O-N 3.16Å; I597-Y646 HydrophobicContact CG2-CE1 4.24Å
598	L	92.5	Very high	87.9	Confident	18 Å²	18	55.9 Å²	55.9	9%	0.094	30%	0.302	C	S	.	.			trans	-141.9	119.3	171.3	175.8	67.4	0	0	0	107.4	D600 F603 L605 L641 I643	L598-D600 HydrophobicContact CG-CB 4.34Å; L598-F603 HydrophobicContact CD2-CB 4.21Å; L598-L605 HydrophobicContact CB-CB 3.67Å; L598-L605 HydrophobicContact CB-CD2 4.19Å; L598-L605 HydrophobicContact CB-CG 4.44Å; L598-L605 HydrophobicContact CD2-CB 4.28Å; L598-L641 HydrophobicContact CD1-CB 3.83Å; L598-L641 HydrophobicContact CD1-CG 4.11Å; L598-L641 HydrophobicContact CD2-CD2 3.98Å; L598-L641 HydrophobicContact CD2-CG 4.37Å; L598-I643 HydrophobicContact CD1-CG1 4.31Å
599	N	86.8	Confident	87.2	Confident	153 Å²	153	57.5 Å²	57.5	82%	0.818	31%	0.313	S	S	*	.			trans	-103.6	94.3	175	-72.7	-16.7	0	0	0	108.7
600	D	92.1	Very high	85.8	Confident	50 Å²	50	60.5 Å²	60.5	27%	0.267	34%	0.335	S	S	.	.			trans	-137.3	154.8	174	-169.8	-83.6	0	0	0	110.1	L598 Y602 F603	L598-D600 HydrophobicContact CG-CB 4.34Å; D600-Y602 WeakPolarHBondContact OD1-CA 3.15Å; D600-Y602 PolarHBondContact OD1-N 3.18Å; D600-F603 HydrophobicContact CB-CB 4.26Å; D600-F603 VanDerWaalsContact OD1-CD2 3.27Å; D600-F603 WeakPolarHBondContact OD1-CD2 3.35Å; D600-F603 PolarHBondContact OD1-N 3.17Å
601	S	87.6	Confident	84.2	Confident	66 Å²	66	62 Å²	62	46%	0.462	34%	0.344	S	S	.	.	S	Bend	trans	-93.3	-19	-176.8	79.9	0	0	0	0	114.3	K629	S601-K629 VanDerWaalsContact O-CD 3.29Å; S601-K629 WeakPolarHBondContact O-CD 3.32Å; S601-K629 WeakPolarHBondContact O-CE 3.45Å; S601-K629 PolarHBondContact O-NZ 3.24Å
602	Y	91.5	Very high	82.5	Confident	54 Å²	54	68.2 Å²	68.2	21%	0.212	38%	0.378	C	S	.	.	S	Bend	trans	-102.5	-26.9	175.5	-71.3	-96	0	0	0	111.3	D600 S628 K629 S630 L631 H639	D600-Y602 WeakPolarHBondContact OD1-CA 3.15Å; D600-Y602 PolarHBondContact OD1-N 3.18Å; Y602-S628 WeakPolarHBondContact O-CA 3.48Å; Y602-S628 WeakPolarHBondContact O-CB 3.28Å; Y602-S628 PolarHBondContact O-N 3.42Å; Y602-S628 PolarHBondContact O-OG 2.84Å; Y602-K629 HydrophobicContact CD1-CB 3.62Å; Y602-K629 HydrophobicContact CD1-CD 4.3Å; Y602-K629 HydrophobicContact CE1-CB 4.03Å; Y602-K629 HydrophobicContact CE1-CD 4.36Å; Y602-K629 HydrophobicContact CG-CB 4.38Å; Y602-S630 WeakPolarHBondContact CE1-O 3.45Å; Y602-L631 HydrophobicContact CD1-CD2 4.29Å; Y602-H639 AromaticContact CD2-CE1 3.43Å; Y602-H639 VanDerWaalsContact CD2-CE1 3.43Å; Y602-H639 WeakPolarHBondContact CD2-CE1 3.38Å; Y602-H639 AromaticContact CD2-ND1 3.99Å; Y602-H639 AromaticContact CE2-CE1 3.76Å; Y602-H639 AromaticContact CG-CE1 3.73Å
603	F	93.1	Very high	80.8	Confident	1 Å²	1	74 Å²	74	0%	0.004	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.3	-176.3	-54.8	-83.6	0	0	0	112.8	L578 L598 D600 I625 I626 L627 L631 H639 L641 I662	L578-F603 HydrophobicContact CD1-CD1 3.41Å; L578-F603 VanDerWaalsContact CD1-CD1 3.41Å; L578-F603 HydrophobicContact CD1-CE1 3.4Å; L578-F603 VanDerWaalsContact CD1-CE1 3.4Å; L578-F603 HydrophobicContact CD2-CE1 4.44Å; L598-F603 HydrophobicContact CD2-CB 4.21Å; D600-F603 HydrophobicContact CB-CB 4.26Å; D600-F603 VanDerWaalsContact OD1-CD2 3.27Å; D600-F603 WeakPolarHBondContact OD1-CD2 3.35Å; D600-F603 PolarHBondContact OD1-N 3.17Å; F603-I625 HydrophobicContact CB-CG2 4.33Å; F603-I625 HydrophobicContact CD1-CG2 4.4Å; F603-I626 WeakPolarHBondContact CA-O 3.31Å; F603-L627 HydrophobicContact CD1-CD1 4Å; F603-L627 HydrophobicContact CE1-CD1 3.53Å; F603-L627 HydrophobicContact CZ-CD1 4.04Å; F603-L631 HydrophobicContact CZ-CD2 3.98Å; F603-H639 HydrophobicContact CE2-CB 3.7Å; F603-H639 AromaticContact CE2-CG 3.62Å; F603-H639 AromaticContact CE2-ND1 3.8Å; F603-H639 HydrophobicContact CZ-CB 4.43Å; F603-L641 HydrophobicContact CB-CD2 3.78Å; F603-L641 HydrophobicContact CB-CG 4.5Å; F603-L641 HydrophobicContact CD1-CD2 4.31Å; F603-L641 HydrophobicContact CD2-CD1 3.68Å; F603-L641 HydrophobicContact CD2-CD2 3.79Å; F603-L641 HydrophobicContact CD2-CG 4.05Å; F603-L641 HydrophobicContact CE2-CD1 3.91Å; F603-L641 HydrophobicContact CE2-CD2 4.49Å; F603-L641 HydrophobicContact CG-CD1 4.45Å; F603-L641 HydrophobicContact CG-CD2 3.69Å; F603-L641 HydrophobicContact CG-CG 4.41Å; F603-I662 HydrophobicContact CD1-CD1 4.06Å; F603-I662 HydrophobicContact CD2-CD1 4.47Å; F603-I662 HydrophobicContact CE1-CD1 3.58Å; F603-I662 HydrophobicContact CE2-CD1 4.08Å; F603-I662 HydrophobicContact CG-CD1 4.48Å; F603-I662 HydrophobicContact CZ-CD1 3.6Å; F603-I662 HydrophobicContact CZ-CG2 4.33Å
604	I	91.3	Very high	78.9	Confident	88 Å²	88	78.5 Å²	78.5	45%	0.451	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136	178	-63.6	170.4	0	0	0	108.8	I626 S628	I604-I626 PolarHBondContact N-O 3.04Å; I604-I626 PolarHBondContact O-N 3.13Å; I604-S628 VanDerWaalsContact CD1-CB 3.41Å
605	L	90.9	Very high	76.9	Confident	24 Å²	24	85.7 Å²	85.7	13%	0.126	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.9	170.4	-172	75.3	0	0	0	109.3	V581 C596 L598 Y623 Y624 I625	V581-L605 HydrophobicContact CG2-CD1 3.84Å; C596-L605 HydrophobicContact CB-CD2 3.67Å; L598-L605 HydrophobicContact CB-CB 3.67Å; L598-L605 HydrophobicContact CB-CD2 4.19Å; L598-L605 HydrophobicContact CB-CG 4.44Å; L598-L605 HydrophobicContact CD2-CB 4.28Å; L605-Y623 HydrophobicContact CD1-CG 4.27Å; L605-Y623 HydrophobicContact CD2-CD1 4.04Å; L605-Y623 HydrophobicContact CD2-CG 4.26Å; L605-Y623 HydrophobicContact CG-CD1 3.92Å; L605-Y623 HydrophobicContact CG-CG 4.12Å; L605-Y624 WeakPolarHBondContact CA-O 3.32Å; L605-I625 HydrophobicContact CD1-CG1 3.9Å
606	Q	86.7	Confident	74.9	Confident	79 Å²	79	87.3 Å²	87.3	37%	0.369	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.3	-178.2	-174.7	176.2	-35.5	0	0	110.8	Y623 Y624 I626	Q606-Y623 CarbonylContact O-C 3.56Å; Q606-Y623 VanDerWaalsContact O-CA 3.32Å; Q606-Y623 WeakPolarHBondContact O-CA 3.35Å; Q606-Y624 PolarHBondContact N-O 2.81Å; Q606-Y624 PolarHBondContact O-N 3.45Å; Q606-I626 HydrophobicContact CB-CD1 3.83Å
607	P	85.8	Confident	72.7	Confident	77 Å²	77	94.3 Å²	94.3	50%	0.5	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	143.7	175.4	27.1	-33	0	0	0	111.5	Y623	P607-Y623 HydrophobicContact CB-CD1 3.91Å; P607-Y623 HydrophobicContact CB-CE1 3.81Å
608	E	76.3	Confident	70.6	Confident	88 Å²	88	95.4 Å²	95.4	41%	0.411	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-65.9	132.5	169.5	-176.3	162	-137.1	0	0	110	A610 S622 Y624	E608-A610 PolarHBondContact O-N 2.92Å; E608-S622 WeakPolarHBondContact CB-O 3.17Å; E608-S622 PolarHBondContact N-O 3.22Å; E608-S622 WeakPolarHBondContact OE2-CB 3.41Å; E608-S622 PolarHBondContact OE2-OG 3.01Å; E608-Y624 HydrophobicContact CB-CD2 4.39Å; E608-Y624 HydrophobicContact CB-CE2 3.73Å; E608-Y624 HydrophobicContact CG-CE2 3.86Å; E608-Y624 PolarHBondContact OE1-OH 2.88Å
609	L	69.4	Low	68.8	Low	147 Å²	147	100.7 Å²	100.7	77%	0.77	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-66	116.1	176.3	-83.6	148	0	0	0	108.8	N611	L609-N611 PolarHBondContact O-N 2.84Å; L609-N611 VanDerWaalsContact O-N 3.16Å
610	A	56.3	Low	67.4	Low	90 Å²	90	98.5 Å²	98.5	74%	0.744	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-56.5	121	176	0	0	0	0	0	109.6	E608 N612	E608-A610 PolarHBondContact O-N 2.92Å; A610-N612 PolarHBondContact O-N 2.05Å
611	N	51.6	Low	66.7	Low	140 Å²	140	100.3 Å²	100.3	75%	0.749	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-67.6	119.7	171.9	-158.1	3.8	0	0	0	107.2	L609 N613	L609-N611 PolarHBondContact O-N 2.84Å; L609-N611 VanDerWaalsContact O-N 3.16Å; N611-N613 PolarHBondContact O-N 2.85Å
612	N	50.4	Low	66.5	Low	153 Å²	153	98.2 Å²	98.2	82%	0.818	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	6.8	-167.1	-104.8	-1.7	0	0	0	116.7	A610	A610-N612 PolarHBondContact O-N 2.05Å
613	N	49.1	Very low	66.5	Low	133 Å²	133	96.3 Å²	96.3	71%	0.711	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-5	-168.5	-72.7	-11.2	0	0	0	115.5	N611	N611-N613 PolarHBondContact O-N 2.85Å
614	N	46.1	Very low	66.2	Low	130 Å²	130	97.2 Å²	97.2	70%	0.695	52%	0.518	S	S	*	.			trans	-119.3	100.5	178.6	-68.1	-8.4	0	0	0	110.4	N616	N614-N616 PolarHBondContact O-N 3.27Å
615	N	46.5	Very low	66.1	Low	157 Å²	157	93 Å²	93	84%	0.84	50%	0.497	S	S	*	.			trans	-65.3	22.2	169.2	-72.8	-20.6	0	0	0	113.5	D617	N615-D617 PolarHBondContact O-N 2.7Å
616	N	45.5	Very low	66	Low	115 Å²	115	92.4 Å²	92.4	62%	0.615	49%	0.494	S	S	*	.			trans	-97.7	81.6	175.7	-69.7	0.8	0	0	0	107	N614 N618	N614-N616 PolarHBondContact O-N 3.27Å; N616-N618 PolarHBondContact O-N 2.57Å
617	D	46.8	Very low	66.1	Low	155 Å²	155	88.7 Å²	88.7	83%	0.829	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	2.5	177.2	-80	-32.8	0	0	0	114.3	N615	N615-D617 PolarHBondContact O-N 2.7Å
618	N	47.4	Very low	66.2	Low	85 Å²	85	86.9 Å²	86.9	46%	0.455	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-6.8	-163.1	-86.3	9.8	0	0	0	117.6	N616	N616-N618 PolarHBondContact O-N 2.57Å
619	Q	54.4	Low	66.8	Low	129 Å²	129	87.4 Å²	87.4	60%	0.603	47%	0.466	S	S	*	.	S	Bend	trans	-135.2	81.7	-157.9	-74.7	178	-22	0	0	115.8
620	M	56.9	Low	67.8	Low	108 Å²	108	84.2 Å²	84.2	53%	0.532	46%	0.456	S	S	.	.			trans	86	122.5	173.1	-50.4	170.8	68.8	0	0	115.8	K582 V583 N584	K582-M620 HydrophobicContact CB-CE 4.24Å; K582-M620 HydrophobicContact CD-CE 4.13Å; V583-M620 VanDerWaalsContact O-CA 3.3Å; V583-M620 WeakPolarHBondContact O-CA 2.93Å; N584-M620 HydrophobicContact CB-CG 4.26Å
621	K	77.4	Confident	69.4	Low	88 Å²	88	80.4 Å²	80.4	38%	0.383	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.6	166	-71.3	-174.5	-172.9	167.5	0	109.8	V583 V594 Y623	V583-K621 PolarHBondContact N-O 2.82Å; V583-K621 PolarHBondContact O-N 2.89Å; V583-K621 VanDerWaalsContact O-N 3.17Å; V594-K621 HydrophobicContact CG2-CB 4.24Å; V594-K621 HydrophobicContact CG2-CD 4.31Å; V594-K621 HydrophobicContact CG2-CG 4.36Å; V594-K621 VanDerWaalsContact O-CD 3.28Å; V594-K621 WeakPolarHBondContact O-CD 3.43Å; V594-K621 WeakPolarHBondContact O-CE 3.34Å; V594-K621 PolarHBondContact O-NZ 2.72Å; K621-Y623 HydrophobicContact CB-CE2 3.8Å
622	S	84.2	Confident	71.2	Confident	21 Å²	21	76.5 Å²	76.5	15%	0.147	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.1	170.5	-52.5	0	0	0	0	110.2	V581 E608	V581-S622 CarbonylContact O-C 3.54Å; V581-S622 VanDerWaalsContact O-CA 3.26Å; V581-S622 WeakPolarHBondContact O-CA 3.28Å; E608-S622 WeakPolarHBondContact CB-O 3.17Å; E608-S622 PolarHBondContact N-O 3.22Å; E608-S622 WeakPolarHBondContact OE2-CB 3.41Å; E608-S622 PolarHBondContact OE2-OG 3.01Å
623	Y	89.5	Confident	73.2	Confident	15 Å²	15	71.4 Å²	71.4	6%	0.059	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.9	171.2	-60.2	-101.1	0	0	0	110.3	I580 V581 C596 L605 Q606 P607 K621	I580-Y623 CarbonylContact C-O 3.57Å; I580-Y623 WeakPolarHBondContact CA-O 3.43Å; V581-Y623 PolarHBondContact N-O 2.75Å; V581-Y623 PolarHBondContact O-N 2.85Å; C596-Y623 HydrophobicContact CB-CD1 4.46Å; C596-Y623 HydrophobicContact CB-CD2 3.97Å; C596-Y623 HydrophobicContact CB-CE1 4.18Å; C596-Y623 HydrophobicContact CB-CE2 3.68Å; C596-Y623 HydrophobicContact CB-CG 4.37Å; C596-Y623 PolarHBondContact N-OH 3.17Å; C596-Y623 VanDerWaalsContact SG-CE2 3.53Å; L605-Y623 HydrophobicContact CD1-CG 4.27Å; L605-Y623 HydrophobicContact CD2-CD1 4.04Å; L605-Y623 HydrophobicContact CD2-CG 4.26Å; L605-Y623 HydrophobicContact CG-CD1 3.92Å; L605-Y623 HydrophobicContact CG-CG 4.12Å; Q606-Y623 CarbonylContact O-C 3.56Å; Q606-Y623 VanDerWaalsContact O-CA 3.32Å; Q606-Y623 WeakPolarHBondContact O-CA 3.35Å; P607-Y623 HydrophobicContact CB-CD1 3.91Å; P607-Y623 HydrophobicContact CB-CE1 3.81Å; K621-Y623 HydrophobicContact CB-CE2 3.8Å
624	Y	88.1	Confident	75.1	Confident	19 Å²	19	68 Å²	68	8%	0.075	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.9	174.9	-64.1	-69.6	0	0	0	110	I577 I580 L605 Q606 E608	I577-Y624 HydrophobicContact CD1-CD1 4.09Å; I577-Y624 HydrophobicContact CD1-CE1 4.46Å; I577-Y624 HydrophobicContact CD1-CG 4.47Å; I577-Y624 HydrophobicContact CG2-CD1 3.84Å; I580-Y624 HydrophobicContact CD1-CD1 4.47Å; I580-Y624 HydrophobicContact CD1-CE1 3.9Å; I580-Y624 HydrophobicContact CG1-CD1 3.88Å; I580-Y624 HydrophobicContact CG1-CE1 3.79Å; I580-Y624 HydrophobicContact CG2-CD1 4.48Å; I580-Y624 HydrophobicContact CG2-CE1 4.29Å; L605-Y624 WeakPolarHBondContact CA-O 3.32Å; Q606-Y624 PolarHBondContact N-O 2.81Å; Q606-Y624 PolarHBondContact O-N 3.45Å; E608-Y624 HydrophobicContact CB-CD2 4.39Å; E608-Y624 HydrophobicContact CB-CE2 3.73Å; E608-Y624 HydrophobicContact CG-CE2 3.86Å; E608-Y624 PolarHBondContact OE1-OH 2.88Å
625	I	89.4	Confident	77.1	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.2	168.5	-57.4	-179.3	0	0	0	107.9	L521 L578 S579 V581 F603 L605 L641 I643 L660	L521-I625 HydrophobicContact CD2-CD1 4.4Å; L578-I625 HydrophobicContact CD1-CG2 4.12Å; L578-I625 PolarHBondContact N-O 2.89Å; S579-I625 PolarHBondContact O-N 2.88Å; V581-I625 HydrophobicContact CG2-CD1 3.88Å; V581-I625 HydrophobicContact CG2-CG1 3.85Å; F603-I625 HydrophobicContact CB-CG2 4.33Å; F603-I625 HydrophobicContact CD1-CG2 4.4Å; L605-I625 HydrophobicContact CD1-CG1 3.9Å; I625-L641 HydrophobicContact CG2-CD2 4.06Å; I625-I643 HydrophobicContact CD1-CD1 3.5Å; I625-I643 HydrophobicContact CD1-CG1 4.32Å; I625-L660 HydrophobicContact CD1-CD2 3.7Å
626	I	87.6	Confident	79.2	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.062	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.8	-171	-58.2	174.7	0	0	0	109.7	M535 R575 S576 I577 F603 I604 Q606	M535-I626 HydrophobicContact CE-CD1 3.55Å; R575-I626 HydrophobicContact CB-CG2 4.41Å; S576-I626 WeakPolarHBondContact O-CA 3.41Å; I577-I626 HydrophobicContact CG1-CG1 4.27Å; F603-I626 WeakPolarHBondContact CA-O 3.31Å; I604-I626 PolarHBondContact N-O 3.04Å; I604-I626 PolarHBondContact O-N 3.13Å; Q606-I626 HydrophobicContact CB-CD1 3.83Å
627	L	90	Very high	81.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.7	171.9	-173.7	66.7	0	0	0	110.6	L572 R575 S576 L578 F603 K629 L631	L572-L627 HydrophobicContact CB-CD2 4.3Å; L572-L627 HydrophobicContact CD2-CD2 4.27Å; L572-L627 HydrophobicContact CG-CD2 4.25Å; R575-L627 VanDerWaalsContact CA-O 3.28Å; R575-L627 WeakPolarHBondContact CA-O 3.27Å; R575-L627 PolarHBondContact N-O 3.06Å; S576-L627 PolarHBondContact O-N 2.64Å; S576-L627 VanDerWaalsContact O-N 3.08Å; S576-L627 WeakPolarHBondContact OG-CB 3.42Å; L578-L627 HydrophobicContact CD1-CB 4.25Å; F603-L627 HydrophobicContact CD1-CD1 4Å; F603-L627 HydrophobicContact CE1-CD1 3.53Å; F603-L627 HydrophobicContact CZ-CD1 4.04Å; L627-K629 WeakPolarHBondContact CD1-O 3.35Å; L627-K629 WeakPolarHBondContact CG-O 3.32Å; L627-L631 HydrophobicContact CD1-CD1 4.23Å; L627-L631 HydrophobicContact CD1-CD2 3.79Å; L627-L631 HydrophobicContact CD1-CG 3.83Å; L627-L631 HydrophobicContact CD2-CD1 4.38Å; L627-L631 HydrophobicContact CD2-CG 4.2Å
628	S	87.1	Confident	83.5	Confident	39 Å²	39	57.8 Å²	57.8	27%	0.273	29%	0.292	S	S	.	.			trans	-111	-19	-176.8	72.3	0	0	0	0	114.5	I574 Y602 I604	I574-S628 WeakPolarHBondContact CG2-O 3.45Å; Y602-S628 WeakPolarHBondContact O-CA 3.48Å; Y602-S628 WeakPolarHBondContact O-CB 3.28Å; Y602-S628 PolarHBondContact O-N 3.42Å; Y602-S628 PolarHBondContact O-OG 2.84Å; I604-S628 VanDerWaalsContact CD1-CB 3.41Å
629	K	90	Very high	85.6	Confident	100 Å²	100	53.9 Å²	53.9	44%	0.435	27%	0.272	S	S	.	.	S	Bend	trans	-133.8	159	175.3	-66.3	-179.4	-175	166.2	0	110.2	S601 Y602 L627	S601-K629 VanDerWaalsContact O-CD 3.29Å; S601-K629 WeakPolarHBondContact O-CD 3.32Å; S601-K629 WeakPolarHBondContact O-CE 3.45Å; S601-K629 PolarHBondContact O-NZ 3.24Å; Y602-K629 HydrophobicContact CD1-CB 3.62Å; Y602-K629 HydrophobicContact CD1-CD 4.3Å; Y602-K629 HydrophobicContact CE1-CB 4.03Å; Y602-K629 HydrophobicContact CE1-CD 4.36Å; Y602-K629 HydrophobicContact CG-CB 4.38Å; L627-K629 WeakPolarHBondContact CD1-O 3.35Å; L627-K629 WeakPolarHBondContact CG-O 3.32Å
630	S	89.8	Confident	87.4	Confident	79 Å²	79	52.6 Å²	52.6	55%	0.552	27%	0.265	S	S	*	.			trans	-64.7	145.7	173.4	49.8	0	0	0	0	110.8	Y602	Y602-S630 WeakPolarHBondContact CE1-O 3.45Å
631	L	90.2	Very high	89	Confident	11 Å²	11	47.4 Å²	47.4	6%	0.058	24%	0.24	C	C	.	.			trans	-89.5	152.4	174.5	-68	-179.6	0	0	0	109.5	V568 E570 Y602 F603 L627 I664	V568-L631 HydrophobicContact CG1-CD1 3.82Å; E570-L631 HydrophobicContact CB-CB 4.31Å; Y602-L631 HydrophobicContact CD1-CD2 4.29Å; F603-L631 HydrophobicContact CZ-CD2 3.98Å; L627-L631 HydrophobicContact CD1-CD1 4.23Å; L627-L631 HydrophobicContact CD1-CD2 3.79Å; L627-L631 HydrophobicContact CD1-CG 3.83Å; L627-L631 HydrophobicContact CD2-CD1 4.38Å; L627-L631 HydrophobicContact CD2-CG 4.2Å; L631-I664 HydrophobicContact CB-CD1 4.05Å; L631-I664 HydrophobicContact CD1-CD1 4.48Å; L631-I664 HydrophobicContact CD2-CD1 3.99Å; L631-I664 HydrophobicContact CG-CD1 4.37Å
632	D	89.9	Confident	89.7	Confident	58 Å²	58	46.9 Å²	46.9	31%	0.31	25%	0.245	S	C	.	.			trans	-148.9	111	-178.4	176.9	-35.6	0	0	0	106.8	E634 L635 Q636	D632-E634 PolarHBondContact OD1-N 3.16Å; D632-E634 VanDerWaalsContact OD1-N 3.09Å; D632-L635 HydrophobicContact CB-CB 4.26Å; D632-L635 HydrophobicContact CB-CD1 4.25Å; D632-L635 HydrophobicContact CB-CG 4.39Å; D632-L635 PolarHBondContact OD1-N 3.06Å; D632-L635 VanDerWaalsContact OD2-CD1 3.25Å; D632-L635 WeakPolarHBondContact OD2-CD1 3.45Å; D632-L635 WeakPolarHBondContact OD2-CG 3.47Å; D632-Q636 PolarHBondContact O-N 2.7Å; D632-Q636 VanDerWaalsContact O-N 3.12Å
633	Y	90.7	Very high	90	Very high	45 Å²	45	45.9 Å²	45.9	18%	0.176	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-39.8	-175.2	177.2	-88.5	0	0	0	111.6	E570 L635 Q636 I637 I664 D666 S750	E570-Y633 WeakPolarHBondContact OE2-CB 3.16Å; E570-Y633 PolarHBondContact OE2-N 2.63Å; Y633-L635 VanDerWaalsContact C-N 3.31Å; Y633-L635 PolarHBondContact O-N 3.47Å; Y633-Q636 PolarHBondContact O-N 2.69Å; Y633-I637 HydrophobicContact CD1-CG2 4.23Å; Y633-I637 HydrophobicContact CD2-CB 4.42Å; Y633-I637 HydrophobicContact CD2-CG2 3.99Å; Y633-I637 HydrophobicContact CE1-CG2 3.9Å; Y633-I637 HydrophobicContact CE2-CB 4.11Å; Y633-I637 HydrophobicContact CE2-CG2 3.67Å; Y633-I637 HydrophobicContact CG-CG2 4.28Å; Y633-I637 VanDerWaalsContact O-CG2 3.3Å; Y633-I637 WeakPolarHBondContact O-CG2 3.1Å; Y633-I637 PolarHBondContact O-N 3.47Å; Y633-I664 HydrophobicContact CD2-CB 4.03Å; Y633-I664 HydrophobicContact CD2-CG2 4.14Å; Y633-I664 VanDerWaalsContact CD2-O 3.24Å; Y633-I664 WeakPolarHBondContact CD2-O 2.93Å; Y633-I664 VanDerWaalsContact CE2-O 3.29Å; Y633-I664 WeakPolarHBondContact CE2-O 3.43Å; Y633-D666 HydrophobicContact CD1-CB 3.84Å; Y633-D666 WeakPolarHBondContact CD1-OD1 3.09Å; Y633-D666 HydrophobicContact CD2-CB 3.98Å; Y633-D666 HydrophobicContact CE1-CB 3.72Å; Y633-D666 WeakPolarHBondContact CE1-OD1 3.3Å; Y633-D666 HydrophobicContact CE2-CB 3.84Å; Y633-D666 HydrophobicContact CG-CB 3.98Å; Y633-S750 VanDerWaalsContact CE1-OG 3.31Å; Y633-S750 WeakPolarHBondContact CE1-OG 3.48Å; Y633-S750 PolarHBondContact OH-OG 2.94Å
634	E	89.9	Confident	90.1	Very high	61 Å²	61	47.8 Å²	47.8	29%	0.285	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-30.7	-178.2	-70.1	72.2	-112.2	0	0	112.8	D632 N670 I748	D632-E634 PolarHBondContact OD1-N 3.16Å; D632-E634 VanDerWaalsContact OD1-N 3.09Å; E634-N670 VanDerWaalsContact CD-ND2 3.25Å; E634-N670 PolarHBondContact OE2-ND2 3.05Å; E634-I748 HydrophobicContact CG-CB 4.21Å; E634-I748 HydrophobicContact CG-CD1 3.83Å; E634-I748 HydrophobicContact CG-CG1 3.87Å
635	L	88.1	Confident	90.3	Very high	132 Å²	132	46.9 Å²	46.9	69%	0.691	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-43.1	175.3	-69.9	-179.2	0	0	0	113.1	D632 Y633	D632-L635 HydrophobicContact CB-CB 4.26Å; D632-L635 HydrophobicContact CB-CD1 4.25Å; D632-L635 HydrophobicContact CB-CG 4.39Å; D632-L635 PolarHBondContact OD1-N 3.06Å; D632-L635 VanDerWaalsContact OD2-CD1 3.25Å; D632-L635 WeakPolarHBondContact OD2-CD1 3.45Å; D632-L635 WeakPolarHBondContact OD2-CG 3.47Å; Y633-L635 VanDerWaalsContact C-N 3.31Å; Y633-L635 PolarHBondContact O-N 3.47Å
636	Q	90.7	Very high	90.4	Very high	77 Å²	77	49.8 Å²	49.8	36%	0.36	26%	0.257	S	S	.	.			trans	-152	96.1	-175.2	-174.1	168.3	-1.3	0	0	113.4	D632 Y633 I638 H639 I664	D632-Q636 PolarHBondContact O-N 2.7Å; D632-Q636 VanDerWaalsContact O-N 3.12Å; Y633-Q636 PolarHBondContact O-N 2.69Å; Q636-I638 VanDerWaalsContact C-N 3.3Å; Q636-I638 WeakPolarHBondContact CG-O 3.29Å; Q636-I638 PolarHBondContact NE2-O 2.93Å; Q636-I638 PolarHBondContact O-N 3.22Å; Q636-H639 PolarHBondContact NE2-ND1 2.94Å; Q636-H639 PolarHBondContact OE1-CE1 3.43Å; Q636-H639 VanDerWaalsContact OE1-CE1 3.22Å; Q636-I664 WeakPolarHBondContact O-CD1 3.5Å
637	I	90.5	Very high	90.5	Very high	96 Å²	96	49.2 Å²	49.2	49%	0.492	25%	0.254	S	S	.	.	S	Bend	trans	-64.2	-22.9	-179.3	62.4	175.3	0	0	0	116.1	Y633 I664	Y633-I637 HydrophobicContact CD1-CG2 4.23Å; Y633-I637 HydrophobicContact CD2-CB 4.42Å; Y633-I637 HydrophobicContact CD2-CG2 3.99Å; Y633-I637 HydrophobicContact CE1-CG2 3.9Å; Y633-I637 HydrophobicContact CE2-CB 4.11Å; Y633-I637 HydrophobicContact CE2-CG2 3.67Å; Y633-I637 HydrophobicContact CG-CG2 4.28Å; Y633-I637 VanDerWaalsContact O-CG2 3.3Å; Y633-I637 WeakPolarHBondContact O-CG2 3.1Å; Y633-I637 PolarHBondContact O-N 3.47Å; I637-I664 PolarHBondContact O-N 3.17Å
638	I	91.9	Very high	90.4	Very high	38 Å²	38	52.9 Å²	52.9	20%	0.195	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.4	-176.5	-164	175.8	0	0	0	112.4	Q636 N661 I662 H663	Q636-I638 VanDerWaalsContact C-N 3.3Å; Q636-I638 WeakPolarHBondContact CG-O 3.29Å; Q636-I638 PolarHBondContact NE2-O 2.93Å; Q636-I638 PolarHBondContact O-N 3.22Å; I638-N661 HydrophobicContact CD1-CB 4.29Å; I638-I662 CarbonylContact C-O 3.5Å; I638-I662 WeakPolarHBondContact CA-O 3.27Å; I638-H663 WeakPolarHBondContact CD1-CE1 3.2Å
639	H	91.5	Very high	90.3	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.3	171.9	-67.4	-98.2	0	0	0	110.9	Y602 F603 Q636 L641 N661 I662	Y602-H639 AromaticContact CD2-CE1 3.43Å; Y602-H639 VanDerWaalsContact CD2-CE1 3.43Å; Y602-H639 WeakPolarHBondContact CD2-CE1 3.38Å; Y602-H639 AromaticContact CD2-ND1 3.99Å; Y602-H639 AromaticContact CE2-CE1 3.76Å; Y602-H639 AromaticContact CG-CE1 3.73Å; F603-H639 HydrophobicContact CE2-CB 3.7Å; F603-H639 AromaticContact CE2-CG 3.62Å; F603-H639 AromaticContact CE2-ND1 3.8Å; F603-H639 HydrophobicContact CZ-CB 4.43Å; Q636-H639 PolarHBondContact NE2-ND1 2.94Å; Q636-H639 PolarHBondContact OE1-CE1 3.43Å; Q636-H639 VanDerWaalsContact OE1-CE1 3.22Å; H639-L641 HydrophobicContact CB-CD1 3.64Å; H639-N661 CarbonylContact O-C 3.58Å; H639-N661 WeakPolarHBondContact O-CA 3.12Å; H639-I662 HydrophobicContact CB-CB 4.34Å; H639-I662 PolarHBondContact N-O 2.67Å; H639-I662 PolarHBondContact O-N 3.33Å
640	H	91.6	Very high	89.9	Confident	101 Å²	101	51.6 Å²	51.6	47%	0.468	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	107.5	179.4	-63.8	-68.3	0	0	0	109.3	P642 L659 N661	H640-P642 WeakPolarHBondContact O-CD 3.32Å; H640-L659 HydrophobicContact CB-CD1 4.32Å; H640-N661 PolarHBondContact ND1-OD1 2.61Å
641	L	91.5	Very high	89.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	98.3	-175.8	-77.8	62.9	0	0	0	110	L598 F603 I625 H639 I643 L660 I662	L598-L641 HydrophobicContact CD1-CB 3.83Å; L598-L641 HydrophobicContact CD1-CG 4.11Å; L598-L641 HydrophobicContact CD2-CD2 3.98Å; L598-L641 HydrophobicContact CD2-CG 4.37Å; F603-L641 HydrophobicContact CB-CD2 3.78Å; F603-L641 HydrophobicContact CB-CG 4.5Å; F603-L641 HydrophobicContact CD1-CD2 4.31Å; F603-L641 HydrophobicContact CD2-CD1 3.68Å; F603-L641 HydrophobicContact CD2-CD2 3.79Å; F603-L641 HydrophobicContact CD2-CG 4.05Å; F603-L641 HydrophobicContact CE2-CD1 3.91Å; F603-L641 HydrophobicContact CE2-CD2 4.49Å; F603-L641 HydrophobicContact CG-CD1 4.45Å; F603-L641 HydrophobicContact CG-CD2 3.69Å; F603-L641 HydrophobicContact CG-CG 4.41Å; I625-L641 HydrophobicContact CG2-CD2 4.06Å; H639-L641 HydrophobicContact CB-CD1 3.64Å; L641-I643 PolarHBondContact O-N 3.2Å; L641-L660 HydrophobicContact CB-CB 4.24Å; L641-L660 WeakPolarHBondContact CB-O 3.32Å; L641-L660 PolarHBondContact N-O 2.82Å; L641-L660 PolarHBondContact O-N 2.78Å; L641-I662 HydrophobicContact CD1-CD1 4.06Å; L641-I662 HydrophobicContact CD1-CG1 4.27Å; L641-I662 HydrophobicContact CD2-CD1 3.67Å; L641-I662 HydrophobicContact CD2-CG1 4.48Å
642	P	91.2	Very high	89.1	Confident	77 Å²	77	59.3 Å²	59.3	50%	0.5	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	105.8	171.6	31.2	-32.6	0	0	0	109.6	H640 L659	H640-P642 WeakPolarHBondContact O-CD 3.32Å; P642-L659 HydrophobicContact CB-CD1 4.2Å
643	I	90.8	Very high	89	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.8	176.1	-57.6	158.2	0	0	0	107.1	L521 V581 L598 I625 L641 T657 V658 L660	L521-I643 HydrophobicContact CD1-CD1 4.11Å; L521-I643 HydrophobicContact CD2-CD1 3.89Å; V581-I643 HydrophobicContact CG1-CG2 4.17Å; V581-I643 HydrophobicContact CG2-CD1 4.22Å; L598-I643 HydrophobicContact CD1-CG1 4.31Å; I625-I643 HydrophobicContact CD1-CD1 3.5Å; I625-I643 HydrophobicContact CD1-CG1 4.32Å; L641-I643 PolarHBondContact O-N 3.2Å; I643-T657 VanDerWaalsContact O-CA 3.27Å; I643-T657 WeakPolarHBondContact O-CA 3.27Å; I643-V658 PolarHBondContact N-O 3.01Å; I643-V658 PolarHBondContact O-N 3.11Å; I643-L660 HydrophobicContact CD1-CB 4.28Å
644	L	91.6	Very high	88.9	Confident	55 Å²	55	60.6 Å²	60.6	29%	0.288	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.1	179.3	171.9	66	0	0	0	109	C596 I597 T655 T657	C596-L644 CarbonylContact C-O 3.47Å; C596-L644 WeakPolarHBondContact CA-O 3.24Å; I597-L644 HydrophobicContact CD1-CD2 4.07Å; I597-L644 HydrophobicContact CG1-CB 4.09Å; I597-L644 HydrophobicContact CG1-CD2 4.23Å; I597-L644 HydrophobicContact CG1-CG 4.35Å; I597-L644 PolarHBondContact N-O 2.75Å; I597-L644 PolarHBondContact O-N 3.16Å; L644-T655 HydrophobicContact CD1-CG2 4.42Å; L644-T657 HydrophobicContact CB-CG2 4.08Å; L644-T657 HydrophobicContact CD1-CG2 3.34Å; L644-T657 HydrophobicContact CG-CG2 4.28Å
645	C	92.3	Very high	88.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.9	171.7	-58.1	0	0	0	0	109.7	I519 V583 Q595 C596 T655 S656	I519-C645 HydrophobicContact CD1-CB 3.8Å; I519-C645 HydrophobicContact CG1-CB 3.93Å; V583-C645 HydrophobicContact CG1-CB 4.2Å; V583-C645 HydrophobicContact CG2-CB 4.4Å; Q595-C645 CarbonylContact O-C 3.52Å; Q595-C645 WeakPolarHBondContact O-CA 3.1Å; C596-C645 HydrophobicContact CB-CB 4.13Å; C596-C645 WeakPolarHBondContact CB-SG 3.15Å; C596-C645 WeakPolarHBondContact SG-CB 3.17Å; C596-C645 CovalentContact SG-SG 2.05Å; C596-C645 PolarHBondContact SG-SG 3.06Å; C645-T655 CarbonylContact O-C 3.52Å; C645-T655 VanDerWaalsContact O-CA 3.26Å; C645-T655 WeakPolarHBondContact O-CA 3.41Å; C645-S656 PolarHBondContact N-O 3.33Å; C645-S656 PolarHBondContact O-N 3.49Å
646	Y	90.9	Very high	89	Confident	60 Å²	60	55.5 Å²	55.5	24%	0.235	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.5	-178.9	59.8	-89.7	0	0	0	110.1	V594 Q595 I597 L648 R654	V594-Y646 CarbonylContact C-O 3.54Å; V594-Y646 WeakPolarHBondContact CA-O 3.34Å; Q595-Y646 HydrophobicContact CB-CE1 4.41Å; Q595-Y646 HydrophobicContact CB-CE2 4.06Å; Q595-Y646 HydrophobicContact CG-CE1 4.45Å; Q595-Y646 PolarHBondContact N-O 3.13Å; Q595-Y646 WeakPolarHBondContact O-CD1 3.37Å; Q595-Y646 PolarHBondContact O-N 3.03Å; Q595-Y646 PolarHBondContact OE1-OH 3.1Å; I597-Y646 HydrophobicContact CG2-CE1 4.24Å; Y646-L648 HydrophobicContact CD2-CD2 4.45Å; Y646-L648 HydrophobicContact CE2-CD2 4.04Å; Y646-R654 WeakPolarHBondContact CA-O 3.18Å
647	D	91.5	Very high	88.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	170.1	168.8	60.7	65.4	0	0	0	111.5	N513 N591 T593 G649 A653 R654	N513-D647 PolarHBondContact ND2-OD1 3.5Å; N513-D647 PolarHBondContact OD1-OD1 2.75Å; N591-D647 WeakPolarHBondContact O-CB 3.26Å; T593-D647 CarbonylContact O-C 3.36Å; T593-D647 WeakPolarHBondContact O-CA 3.3Å; D647-G649 VanDerWaalsContact C-N 3.34Å; D647-G649 WeakPolarHBondContact OD1-CA 3.48Å; D647-G649 PolarHBondContact OD1-N 2.87Å; D647-A653 WeakPolarHBondContact O-CB 3.37Å; D647-A653 WeakPolarHBondContact OD1-CA 3.39Å; D647-R654 VanDerWaalsContact CG-N 3.33Å; D647-R654 PolarHBondContact N-O 3.36Å; D647-R654 PolarHBondContact OD1-N 2.89Å; D647-R654 VanDerWaalsContact OD2-C 3.28Å; D647-R654 WeakPolarHBondContact OD2-CA 3.44Å; D647-R654 WeakPolarHBondContact OD2-CB 3.44Å; D647-R654 PolarHBondContact OD2-N 2.86Å
648	L	87.1	Confident	88.8	Confident	77 Å²	77	51.3 Å²	51.3	40%	0.403	29%	0.286	S	S	.	.			trans	-97.5	15.2	176.5	-62.5	-178.9	0	0	0	112.4	I590 T593 Y646	I590-L648 HydrophobicContact CG2-CB 3.75Å; I590-L648 WeakPolarHBondContact CG2-O 3.39Å; I590-L648 CarbonylContact O-C 3.45Å; T593-L648 HydrophobicContact CG2-CD1 3.82Å; T593-L648 HydrophobicContact CG2-CG 4.42Å; T593-L648 WeakPolarHBondContact O-CG 3.49Å; T593-L648 PolarHBondContact O-N 3.05Å; Y646-L648 HydrophobicContact CD2-CD2 4.45Å; Y646-L648 HydrophobicContact CE2-CD2 4.04Å
649	G	85.5	Confident	88.6	Confident	6 Å²	6	52.7 Å²	52.7	6%	0.062	29%	0.294	C	S	.	.			trans	-68.1	161.5	-167.3	0	0	0	0	0	115.6	N591 D647 I652 A653	N591-G649 WeakPolarHBondContact OD1-CA 3.34Å; D647-G649 VanDerWaalsContact C-N 3.34Å; D647-G649 WeakPolarHBondContact OD1-CA 3.48Å; D647-G649 PolarHBondContact OD1-N 2.87Å; G649-I652 CarbonylContact O-C 3.35Å; G649-A653 PolarHBondContact O-N 3.15Å
650	V	80.1	Confident	88.5	Confident	107 Å²	107	52.5 Å²	52.5	65%	0.648	29%	0.293	S	S	*	.	S	Bend	trans	-120.6	137.7	-176.6	-179.9	0	0	0	0	108.8	N591	N591-V650 PolarHBondContact OD1-N 2.99Å; N591-V650 VanDerWaalsContact OD1-N 3.17Å
651	P	77.2	Confident	88.4	Confident	122 Å²	122	48 Å²	48	79%	0.792	27%	0.272	S	S	*	.	S	Bend	cis	-82.2	-21.3	8.5	31.8	-35.7	0	0	0	115.3
652	I	85.9	Confident	88.3	Confident	129 Å²	129	48 Å²	48	66%	0.662	27%	0.272	S	S	*	.	S	Bend	trans	-129.5	126.3	-175.9	-60	170.4	0	0	0	107.4	N513 G649	N513-I652 PolarHBondContact ND2-O 3.37Å; G649-I652 CarbonylContact O-C 3.35Å
653	A	88.1	Confident	88.2	Confident	42 Å²	42	46.3 Å²	46.3	35%	0.347	26%	0.257	S	S	.	.			trans	-64.6	129.8	169.5	0	0	0	0	0	110.1	D647 G649	D647-A653 WeakPolarHBondContact O-CB 3.37Å; D647-A653 WeakPolarHBondContact OD1-CA 3.39Å; G649-A653 PolarHBondContact O-N 3.15Å
654	R	89.5	Confident	88.2	Confident	88 Å²	88	46.3 Å²	46.3	33%	0.332	26%	0.258	S	S	.	.			trans	-91.5	157.5	173.3	-61.3	165.6	159.5	-126.5	8.8	109.3	N513 D514 N515 N516 Y646 D647	N513-R654 WeakPolarHBondContact O-CD 3.39Å; N513-R654 PolarHBondContact O-NE 3.22Å; N513-R654 PolarHBondContact O-NH2 2.9Å; D514-R654 VanDerWaalsContact CA-CZ 3.4Å; D514-R654 VanDerWaalsContact CA-NH2 3.33Å; D514-R654 PolarHBondContact O-NH1 2.73Å; D514-R654 PolarHBondContact O-NH2 3.36Å; N515-R654 WeakPolarHBondContact O-CD 3.5Å; N516-R654 WeakPolarHBondContact OD1-CB 2.91Å; N516-R654 VanDerWaalsContact OD1-CD 3.31Å; N516-R654 WeakPolarHBondContact OD1-CD 3.21Å; N516-R654 PolarHBondContact OD1-NH1 3.41Å; Y646-R654 WeakPolarHBondContact CA-O 3.18Å; D647-R654 VanDerWaalsContact CG-N 3.33Å; D647-R654 PolarHBondContact N-O 3.36Å; D647-R654 PolarHBondContact OD1-N 2.89Å; D647-R654 VanDerWaalsContact OD2-C 3.28Å; D647-R654 WeakPolarHBondContact OD2-CA 3.44Å; D647-R654 WeakPolarHBondContact OD2-CB 3.44Å; D647-R654 PolarHBondContact OD2-N 2.86Å
655	T	90.4	Very high	87.9	Confident	75 Å²	75	45.8 Å²	45.8	46%	0.46	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.4	-169.2	72.2	0	0	0	0	111.5	L644 C645	L644-T655 HydrophobicContact CD1-CG2 4.42Å; C645-T655 CarbonylContact O-C 3.52Å; C645-T655 VanDerWaalsContact O-CA 3.26Å; C645-T655 WeakPolarHBondContact O-CA 3.41Å
656	S	88.8	Confident	87.7	Confident	12 Å²	12	47.1 Å²	47.1	8%	0.084	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.7	167.9	58.5	0	0	0	0	110.4	P517 I519 C645	P517-S656 WeakPolarHBondContact O-CB 3.03Å; P517-S656 PolarHBondContact O-OG 3.06Å; I519-S656 WeakPolarHBondContact CD1-O 3.02Å; I519-S656 WeakPolarHBondContact CD1-OG 3.41Å; I519-S656 VanDerWaalsContact CG1-OG 3.3Å; I519-S656 WeakPolarHBondContact CG1-OG 3.39Å; C645-S656 PolarHBondContact N-O 3.33Å; C645-S656 PolarHBondContact O-N 3.49Å
657	T	89.3	Confident	87.6	Confident	77 Å²	77	46.9 Å²	46.9	47%	0.472	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.5	177.3	54.1	0	0	0	0	109.8	I643 L644	I643-T657 VanDerWaalsContact O-CA 3.27Å; I643-T657 WeakPolarHBondContact O-CA 3.27Å; L644-T657 HydrophobicContact CB-CG2 4.08Å; L644-T657 HydrophobicContact CD1-CG2 3.34Å; L644-T657 HydrophobicContact CG-CG2 4.28Å
658	V	87.4	Confident	87.4	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.8	167.9	-179.7	0	0	0	0	109	I519 L521 I564 I643	I519-V658 HydrophobicContact CB-CG2 3.99Å; I519-V658 HydrophobicContact CD1-CG2 4.09Å; I519-V658 HydrophobicContact CG2-CG2 4.1Å; L521-V658 HydrophobicContact CD1-CB 3.91Å; L521-V658 HydrophobicContact CD1-CG1 3.35Å; I564-V658 HydrophobicContact CD1-CG1 3.85Å; I564-V658 HydrophobicContact CG1-CG1 4.37Å; I643-V658 PolarHBondContact N-O 3.01Å; I643-V658 PolarHBondContact O-N 3.11Å
659	L	88.5	Confident	87.3	Confident	68 Å²	68	46.8 Å²	46.8	36%	0.356	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.1	177.5	-173.8	63.3	0	0	0	110.1	P563 I564 H640 P642	P563-L659 WeakPolarHBondContact CA-O 3.36Å; P563-L659 HydrophobicContact CB-CB 4.14Å; P563-L659 HydrophobicContact CB-CD2 4.02Å; P563-L659 HydrophobicContact CB-CG 4.18Å; I564-L659 PolarHBondContact N-O 2.93Å; H640-L659 HydrophobicContact CB-CD1 4.32Å; P642-L659 HydrophobicContact CB-CD1 4.2Å
660	L	88.7	Confident	87.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.7	172.9	178.5	64.7	0	0	0	109.8	I564 I566 I625 L641 I643 I662	I564-L660 HydrophobicContact CB-CD1 3.98Å; I564-L660 HydrophobicContact CG2-CD1 3.81Å; I566-L660 HydrophobicContact CD1-CD1 4.25Å; I566-L660 HydrophobicContact CD1-CD2 4.35Å; I566-L660 HydrophobicContact CG1-CD1 4.13Å; I566-L660 HydrophobicContact CG2-CD1 4.08Å; I625-L660 HydrophobicContact CD1-CD2 3.7Å; L641-L660 HydrophobicContact CB-CB 4.24Å; L641-L660 WeakPolarHBondContact CB-O 3.32Å; L641-L660 PolarHBondContact N-O 2.82Å; L641-L660 PolarHBondContact O-N 2.78Å; I643-L660 HydrophobicContact CD1-CB 4.28Å; L660-I662 HydrophobicContact CD2-CD1 4.28Å; L660-I662 HydrophobicContact CD2-CG1 4.29Å; L660-I662 HydrophobicContact CG-CG1 4.09Å
661	N	89.5	Confident	87.7	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.5	175.7	-67.1	-21.2	0	0	0	109.4	P563 I564 H565 I566 I638 H639 H640	P563-N661 WeakPolarHBondContact CB-ND2 3.47Å; I564-N661 WeakPolarHBondContact O-CA 3.26Å; I564-N661 WeakPolarHBondContact O-CB 3.35Å; I564-N661 PolarHBondContact O-N 2.81Å; H565-N661 WeakPolarHBondContact CA-O 3.28Å; H565-N661 PolarHBondContact CE1-ND2 3.43Å; H565-N661 VanDerWaalsContact ND1-CB 3.32Å; H565-N661 WeakPolarHBondContact ND1-CB 3.29Å; H565-N661 PolarHBondContact NE2-ND2 2.72Å; I566-N661 PolarHBondContact N-O 2.84Å; I638-N661 HydrophobicContact CD1-CB 4.29Å; H639-N661 CarbonylContact O-C 3.58Å; H639-N661 WeakPolarHBondContact O-CA 3.12Å; H640-N661 PolarHBondContact ND1-OD1 2.61Å
662	I	89.8	Confident	88.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.2	178	-53.5	-175.2	0	0	0	107.4	I566 V568 F603 I638 H639 L641 L660	I566-I662 HydrophobicContact CD1-CD1 4.21Å; I566-I662 HydrophobicContact CD1-CG1 3.91Å; I566-I662 HydrophobicContact CD1-CG2 4.44Å; I566-I662 HydrophobicContact CG1-CB 4.26Å; I566-I662 HydrophobicContact CG1-CG1 3.87Å; I566-I662 HydrophobicContact CG1-CG2 4.22Å; V568-I662 HydrophobicContact CB-CG2 4.07Å; V568-I662 HydrophobicContact CG2-CG2 3.62Å; F603-I662 HydrophobicContact CD1-CD1 4.06Å; F603-I662 HydrophobicContact CD2-CD1 4.47Å; F603-I662 HydrophobicContact CE1-CD1 3.58Å; F603-I662 HydrophobicContact CE2-CD1 4.08Å; F603-I662 HydrophobicContact CG-CD1 4.48Å; F603-I662 HydrophobicContact CZ-CD1 3.6Å; F603-I662 HydrophobicContact CZ-CG2 4.33Å; I638-I662 CarbonylContact C-O 3.5Å; I638-I662 WeakPolarHBondContact CA-O 3.27Å; H639-I662 HydrophobicContact CB-CB 4.34Å; H639-I662 PolarHBondContact N-O 2.67Å; H639-I662 PolarHBondContact O-N 3.33Å; L641-I662 HydrophobicContact CD1-CD1 4.06Å; L641-I662 HydrophobicContact CD1-CG1 4.27Å; L641-I662 HydrophobicContact CD2-CD1 3.67Å; L641-I662 HydrophobicContact CD2-CG1 4.48Å; L660-I662 HydrophobicContact CD2-CD1 4.28Å; L660-I662 HydrophobicContact CD2-CG1 4.29Å; L660-I662 HydrophobicContact CG-CG1 4.09Å
663	H	88.7	Confident	88.4	Confident	40 Å²	40	37.5 Å²	37.5	19%	0.185	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130.5	171.8	-67.6	-94.2	0	0	0	109.4	H565 I566 W567 V568 I638	H565-H663 AromaticContact CE1-NE2 3.67Å; H565-H663 AromaticContact CG-NE2 3.78Å; H565-H663 AromaticContact ND1-CD2 3.51Å; H565-H663 AromaticContact ND1-CE1 3.98Å; H565-H663 AromaticContact ND1-NE2 2.86Å; H565-H663 PolarHBondContact ND1-NE2 2.97Å; I566-H663 PolarHBondContact O-N 2.81Å; W567-H663 CarbonylContact C-O 3.52Å; W567-H663 VanDerWaalsContact CA-O 3.28Å; W567-H663 WeakPolarHBondContact CA-O 3.31Å; W567-H663 HydrophobicContact CD2-CB 3.54Å; W567-H663 HydrophobicContact CE3-CB 3.33Å; W567-H663 HydrophobicContact CG-CB 4.21Å; W567-H663 HydrophobicContact CH2-CB 3.91Å; W567-H663 AromaticContact CH2-CG 3.95Å; W567-H663 AromaticContact CH2-ND1 3.89Å; W567-H663 HydrophobicContact CZ2-CB 4.1Å; W567-H663 AromaticContact CZ2-CG 3.92Å; W567-H663 HydrophobicContact CZ3-CB 3.53Å; V568-H663 PolarHBondContact N-O 3.43Å; I638-H663 WeakPolarHBondContact CD1-CE1 3.2Å
664	I	90.9	Very high	88.4	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.9	174.2	-49.3	-171.1	0	0	0	107.6	V568 E570 L631 Y633 Q636 I637	V568-I664 CarbonylContact O-C 3.57Å; V568-I664 WeakPolarHBondContact O-CA 3.19Å; E570-I664 HydrophobicContact CB-CG2 3.67Å; L631-I664 HydrophobicContact CB-CD1 4.05Å; L631-I664 HydrophobicContact CD1-CD1 4.48Å; L631-I664 HydrophobicContact CD2-CD1 3.99Å; L631-I664 HydrophobicContact CG-CD1 4.37Å; Y633-I664 HydrophobicContact CD2-CB 4.03Å; Y633-I664 HydrophobicContact CD2-CG2 4.14Å; Y633-I664 VanDerWaalsContact CD2-O 3.24Å; Y633-I664 WeakPolarHBondContact CD2-O 2.93Å; Y633-I664 VanDerWaalsContact CE2-O 3.29Å; Y633-I664 WeakPolarHBondContact CE2-O 3.43Å; Q636-I664 WeakPolarHBondContact O-CD1 3.5Å; I637-I664 PolarHBondContact O-N 3.17Å
665	K	86.1	Confident	88.1	Confident	44 Å²	44	33.2 Å²	33.2	19%	0.191	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.8	170.8	-69.3	-170.8	-179.7	-169.7	0	108.7	E526 L528 W567 V568 E667	E526-K665 IonicContact OE2-NZ 3.93Å; E526-K665 PolarHBondContact OE2-NZ 3.34Å; L528-K665 HydrophobicContact CD2-CD 3.67Å; W567-K665 HydrophobicContact CB-CD 4.32Å; W567-K665 HydrophobicContact CB-CG 4.12Å; W567-K665 HydrophobicContact CE3-CG 3.88Å; V568-K665 PolarHBondContact O-N 3.34Å; K665-E667 PolarHBondContact O-N 3.3Å
666	D	88.3	Confident	87.8	Confident	28 Å²	28	32.5 Å²	32.5	15%	0.15	17%	0.166	C	C	.	.			trans	-59.5	111.3	169.1	-175.7	83.3	0	0	0	109.8	Y633 S750 N753	Y633-D666 HydrophobicContact CD1-CB 3.84Å; Y633-D666 WeakPolarHBondContact CD1-OD1 3.09Å; Y633-D666 HydrophobicContact CD2-CB 3.98Å; Y633-D666 HydrophobicContact CE1-CB 3.72Å; Y633-D666 WeakPolarHBondContact CE1-OD1 3.3Å; Y633-D666 HydrophobicContact CE2-CB 3.84Å; Y633-D666 HydrophobicContact CG-CB 3.98Å; D666-S750 VanDerWaalsContact CG-N 3.28Å; D666-S750 WeakPolarHBondContact OD1-CB 3.44Å; D666-S750 PolarHBondContact OD1-N 2.56Å; D666-S750 WeakPolarHBondContact OD2-CA 3.45Å; D666-S750 PolarHBondContact OD2-N 2.81Å; D666-S750 VanDerWaalsContact OD2-O 3.09Å; D666-N753 PolarHBondContact O-ND2 2.77Å; D666-N753 PolarHBondContact OD2-ND2 2.94Å
667	E	88.3	Confident	87.8	Confident	54 Å²	54	32.3 Å²	32.3	25%	0.252	16%	0.164	S	C	.	.			trans	-93.3	152.6	167.7	-59.5	-69.7	160.8	0	0	109	S569 E570 L571 K665 D669	S569-E667 WeakPolarHBondContact CB-OE1 3.21Å; S569-E667 VanDerWaalsContact OG-CD 3.31Å; S569-E667 WeakPolarHBondContact OG-CG 3.24Å; S569-E667 PolarHBondContact OG-OE1 2.73Å; E570-E667 HydrophobicContact CG-CB 4.15Å; E570-E667 HydrophobicContact CG-CG 3.91Å; E570-E667 WeakPolarHBondContact OE1-CA 3.29Å; E570-E667 VanDerWaalsContact OE1-CB 3.29Å; E570-E667 WeakPolarHBondContact OE1-CB 3.07Å; E570-E667 PolarHBondContact OE1-N 2.72Å; L571-E667 HydrophobicContact CD1-CB 4.27Å; L571-E667 HydrophobicContact CD1-CG 4.05Å; L571-E667 HydrophobicContact CG-CB 4.47Å; L571-E667 HydrophobicContact CG-CG 4.1Å; K665-E667 PolarHBondContact O-N 3.3Å; E667-D669 PolarHBondContact O-N 3.39Å
668	N	87.7	Confident	87.8	Confident	15 Å²	15	32.6 Å²	32.6	8%	0.08	16%	0.16	C	C	.	.	S	Bend	trans	-79.3	67.9	178.6	-165.7	58.7	0	0	0	110.5	D749 N753 D818 P822 K824	N668-D749 WeakPolarHBondContact CA-OD2 3.06Å; N668-D749 PolarHBondContact OD1-OD2 2.65Å; N668-N753 HydrophobicContact CB-CB 4.23Å; N668-N753 VanDerWaalsContact OD1-CB 3.31Å; N668-N753 WeakPolarHBondContact OD1-CB 3.32Å; N668-N753 PolarHBondContact OD1-O 3.17Å; N668-D818 PolarHBondContact ND2-OD1 3.29Å; N668-D818 PolarHBondContact OD1-OD1 2.88Å; N668-P822 PolarHBondContact ND2-O 3.15Å; N668-K824 WeakPolarHBondContact O-CE 3.04Å
669	D	84.8	Confident	87.8	Confident	61 Å²	61	34.5 Å²	34.5	33%	0.326	17%	0.17	S	C	.	.			trans	-108.8	-3.6	-172.7	92.5	-24.9	0	0	0	114.2	E667 D749 K824	E667-D669 PolarHBondContact O-N 3.39Å; D669-D749 PolarHBondContact N-OD2 3.49Å; D669-K824 PolarHBondContact O-NZ 3.03Å
670	N	87.5	Confident	87.7	Confident	28 Å²	28	34.9 Å²	34.9	15%	0.15	17%	0.169	C	C	.	.	S	Bend	trans	-104.7	138.4	168	-59.5	-79.1	0	0	0	111.6	E634 I748 D749 K824	E634-N670 VanDerWaalsContact CD-ND2 3.25Å; E634-N670 PolarHBondContact OE2-ND2 3.05Å; N670-I748 HydrophobicContact CB-CD1 4.18Å; N670-I748 HydrophobicContact CB-CG1 3.64Å; N670-I748 VanDerWaalsContact CG-CG1 3.44Å; N670-I748 WeakPolarHBondContact ND2-CG1 3.09Å; N670-I748 WeakPolarHBondContact OD1-CD1 3.3Å; N670-D749 WeakPolarHBondContact CB-OD1 3.48Å; N670-D749 PolarHBondContact N-OD1 2.95Å; N670-D749 PolarHBondContact N-OD2 2.89Å; N670-D749 PolarHBondContact ND2-OD1 3.42Å; N670-K824 WeakPolarHBondContact O-CD 3.41Å
671	E	87	Confident	87.1	Confident	79 Å²	79	41.1 Å²	41.1	37%	0.369	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-88.7	145.2	172.5	66.3	-175.6	-178.1	0	0	110.3	K673 H715 K824	E671-K673 PolarHBondContact O-N 3.01Å; E671-H715 IonicContact OE1-CE1 3.35Å; E671-K824 HydrophobicContact CB-CB 3.82Å; E671-K824 HydrophobicContact CB-CD 4.2Å
672	P	90.7	Very high	86.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-57.7	122.5	176.6	-16.3	18.1	0	0	0	111.7	V745 D747 L756 V816 D818 S826	P672-V745 HydrophobicContact CB-CG1 3.39Å; P672-D747 HydrophobicContact CB-CB 4.32Å; P672-D747 VanDerWaalsContact CG-OD2 3.3Å; P672-D747 WeakPolarHBondContact CG-OD2 3.42Å; P672-L756 HydrophobicContact CB-CD2 3.67Å; P672-L756 HydrophobicContact CG-CD2 3.79Å; P672-V816 HydrophobicContact CB-CG1 4.31Å; P672-D818 WeakPolarHBondContact CD-OD2 3.37Å; P672-D818 HydrophobicContact CG-CB 4.06Å; P672-S826 WeakPolarHBondContact O-CB 2.98Å; P672-S826 PolarHBondContact O-OG 3.02Å
673	K	86.7	Confident	86.5	Confident	62 Å²	62	43.5 Å²	43.5	27%	0.27	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123	-178	-68.9	174.1	-174.4	159.4	0	111.3	E671 L675 F712 H715 V745 L746	E671-K673 PolarHBondContact O-N 3.01Å; K673-L675 PolarHBondContact O-N 3.06Å; K673-F712 HydrophobicContact CD-CD1 4.28Å; K673-H715 HydrophobicContact CB-CB 4.27Å; K673-V745 CarbonylContact O-C 3.48Å; K673-V745 WeakPolarHBondContact O-CA 3.15Å; K673-L746 PolarHBondContact N-O 3Å; K673-L746 PolarHBondContact O-N 3.49Å
674	F	87.4	Confident	86.3	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	130	169.3	-71	-79.6	0	0	0	111.1	F714 H715 F743 V745 V814 V816 L828	F674-F714 HydrophobicContact CB-CD1 4.41Å; F674-F714 HydrophobicContact CB-CE1 4.13Å; F674-F714 WeakPolarHBondContact O-CD1 3.46Å; F674-H715 PolarHBondContact N-CD2 2.93Å; F674-F743 HydrophobicContact CD1-CB 4.2Å; F674-F743 HydrophobicContact CD1-CD1 4.44Å; F674-F743 HydrophobicContact CE1-CB 4.04Å; F674-F743 HydrophobicContact CE1-CD1 4.45Å; F674-F743 HydrophobicContact CE1-CG 4.46Å; F674-V745 HydrophobicContact CD1-CG2 3.55Å; F674-V745 HydrophobicContact CE1-CG2 3.79Å; F674-V745 HydrophobicContact CG-CG2 4.2Å; F674-V814 HydrophobicContact CE1-CG1 4.17Å; F674-V814 HydrophobicContact CZ-CB 4.44Å; F674-V814 HydrophobicContact CZ-CG1 4.18Å; F674-V816 HydrophobicContact CE1-CG2 3.71Å; F674-V816 HydrophobicContact CZ-CB 4.23Å; F674-V816 HydrophobicContact CZ-CG2 3.59Å; F674-L828 HydrophobicContact CD1-CB 4.4Å; F674-L828 HydrophobicContact CD1-CD2 3.89Å; F674-L828 HydrophobicContact CD2-CB 3.95Å; F674-L828 HydrophobicContact CE1-CB 4.06Å; F674-L828 HydrophobicContact CE1-CD2 4.12Å; F674-L828 HydrophobicContact CE2-CB 3.56Å; F674-L828 HydrophobicContact CG-CB 4.34Å; F674-L828 HydrophobicContact CG-CD2 4.09Å; F674-L828 HydrophobicContact CZ-CB 3.61Å
675	L	84.4	Confident	86.1	Confident	39 Å²	39	48.8 Å²	48.8	20%	0.204	25%	0.247	C	C	.	.			trans	-91.2	177.8	165.6	-55.9	-175.5	0	0	0	109.5	K673 P677 I711 F714 P744 L746	K673-L675 PolarHBondContact O-N 3.06Å; L675-P677 VanDerWaalsContact O-CD 3.28Å; L675-P677 WeakPolarHBondContact O-CD 3.26Å; L675-I711 HydrophobicContact CD1-CG2 4.43Å; L675-I711 HydrophobicContact CD2-CG2 3.57Å; L675-F714 WeakPolarHBondContact O-CD1 3.31Å; L675-F714 WeakPolarHBondContact O-CE1 3.35Å; L675-P744 HydrophobicContact CB-CB 4.27Å; L675-P744 HydrophobicContact CB-CG 4.06Å; L675-P744 HydrophobicContact CD1-CB 4.5Å; L675-P744 PolarHBondContact N-O 2.9Å; L675-L746 HydrophobicContact CD1-CB 4.1Å; L675-L746 HydrophobicContact CD2-CB 3.97Å; L675-L746 HydrophobicContact CG-CB 4.09Å
676	I	83.8	Confident	85.9	Confident	59 Å²	59	50.9 Å²	50.9	30%	0.303	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-56.7	123.4	177.8	-62	172.1	0	0	0	109.9	W685 F714 P744	I676-W685 HydrophobicContact CG2-CZ3 4.17Å; I676-F714 HydrophobicContact CG1-CB 3.89Å; I676-F714 HydrophobicContact CG1-CD2 4.17Å; I676-F714 HydrophobicContact CG1-CG 4.08Å; I676-P744 VanDerWaalsContact O-CG 3.27Å; I676-P744 WeakPolarHBondContact O-CG 3.41Å
677	P	88.1	Confident	85.6	Confident	8 Å²	8	50 Å²	50	5%	0.052	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63.8	140	179.9	-28.8	40.3	0	0	0	113.6	L675 F714 L726 F743 L828	L675-P677 VanDerWaalsContact O-CD 3.28Å; L675-P677 WeakPolarHBondContact O-CD 3.26Å; P677-F714 VanDerWaalsContact CD-CZ 3.46Å; P677-F714 HydrophobicContact CG-CE1 4.3Å; P677-F714 HydrophobicContact CG-CZ 3.97Å; P677-L726 HydrophobicContact CB-CD2 4.1Å; P677-L726 HydrophobicContact CG-CD2 3.66Å; P677-F743 HydrophobicContact CB-CD1 4.01Å; P677-F743 HydrophobicContact CB-CE1 3.97Å; P677-F743 HydrophobicContact CG-CD1 3.85Å; P677-F743 HydrophobicContact CG-CE1 3.88Å; P677-L828 HydrophobicContact CG-CD2 4.35Å
678	E	89.2	Confident	85	Confident	84 Å²	84	52.4 Å²	52.4	39%	0.393	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.3	175.8	-66.6	174.7	-167.2	0	0	109.2	F680 L741 K742 P744	E678-F680 HydrophobicContact CB-CE2 4.17Å; E678-F680 HydrophobicContact CB-CZ 4.14Å; E678-L741 CarbonylContact O-C 3.59Å; E678-L741 WeakPolarHBondContact O-CA 3.49Å; E678-K742 HydrophobicContact CB-CB 4.26Å; E678-K742 PolarHBondContact N-O 2.66Å; E678-K742 PolarHBondContact O-N 3.41Å; E678-P744 HydrophobicContact CG-CG 4.42Å
679	I	87.4	Confident	84.3	Confident	46 Å²	46	55.8 Å²	55.8	24%	0.236	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.2	-173.9	-65.7	163.6	0	0	0	108.4	A683 W685 I728 L741	I679-A683 HydrophobicContact CG2-CB 4.13Å; I679-W685 HydrophobicContact CD1-CB 3.39Å; I679-W685 HydrophobicContact CD1-CD2 3.72Å; I679-W685 HydrophobicContact CD1-CE3 3.66Å; I679-W685 HydrophobicContact CD1-CG 3.6Å; I679-I728 HydrophobicContact CD1-CG1 4.42Å; I679-L741 HydrophobicContact CD1-CD2 4.11Å; I679-L741 HydrophobicContact CG1-CD2 3.56Å; I679-L741 HydrophobicContact CG1-CG 4.35Å
680	F	87	Confident	83.7	Confident	76 Å²	76	58.3 Å²	58.3	33%	0.333	30%	0.295	S	S	.	.			trans	-98.7	133.8	-173.2	-59.9	-85.4	0	0	0	109.9	E678 A683 V739 I740 K742	E678-F680 HydrophobicContact CB-CE2 4.17Å; E678-F680 HydrophobicContact CB-CZ 4.14Å; F680-A683 WeakPolarHBondContact O-CB 2.96Å; F680-A683 PolarHBondContact O-N 2.77Å; F680-V739 WeakPolarHBondContact CB-O 3.33Å; F680-V739 HydrophobicContact CD2-CG1 3.86Å; F680-V739 HydrophobicContact CE2-CG1 3.99Å; F680-I740 PolarHBondContact N-O 3.37Å; F680-K742 HydrophobicContact CE2-CB 3.65Å; F680-K742 HydrophobicContact CZ-CB 4.2Å
681	T	76.2	Confident	82.8	Confident	131 Å²	131	57.1 Å²	57.1	80%	0.804	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	137.6	175.6	50	0	0	0	0	109.8
682	P	80.4	Confident	81.7	Confident	53 Å²	53	55.5 Å²	55.5	34%	0.344	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	cis	-97	10	20.8	41	-39.7	0	0	0	115.5	P731 C734	P682-P731 HydrophobicContact CB-CG 3.61Å; P682-P731 HydrophobicContact CG-CG 3.56Å; P682-P731 WeakPolarHBondContact O-CD 3.37Å; P682-C734 HydrophobicContact CG-CB 4.32Å
683	A	86.6	Confident	79.9	Confident	5 Å²	5	59.8 Å²	59.8	4%	0.041	31%	0.305	C	S	.	.			trans	-70.7	153.3	175.2	0	0	0	0	0	112.1	I679 F680 I728 L729 I730 I740	I679-A683 HydrophobicContact CG2-CB 4.13Å; F680-A683 WeakPolarHBondContact O-CB 2.96Å; F680-A683 PolarHBondContact O-N 2.77Å; A683-I728 HydrophobicContact CB-CG2 3.98Å; A683-L729 CarbonylContact C-O 3.59Å; A683-L729 VanDerWaalsContact CA-O 3.28Å; A683-L729 WeakPolarHBondContact CA-O 3.37Å; A683-I730 HydrophobicContact CB-CG1 4.2Å; A683-I740 HydrophobicContact CB-CB 4.12Å; A683-I740 HydrophobicContact CB-CG2 4.33Å
684	Q	84.9	Confident	78.2	Confident	123 Å²	123	63.2 Å²	63.2	58%	0.575	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.5	-176.6	-64.8	-177	-13.6	0	0	112.5	I728 L729	Q684-I728 CarbonylContact O-C 3.46Å; Q684-I728 VanDerWaalsContact O-CA 3.26Å; Q684-I728 WeakPolarHBondContact O-CA 3.17Å; Q684-L729 HydrophobicContact CB-CB 4.49Å; Q684-L729 PolarHBondContact N-O 2.9Å; Q684-L729 PolarHBondContact O-N 2.92Å
685	W	86.3	Confident	76.2	Confident	29 Å²	29	66 Å²	66	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.7	175.1	-163.1	-4.3	0	0	0	111.6	I676 I679 N687 K688 F691 I692 F714 L726	I676-W685 HydrophobicContact CG2-CZ3 4.17Å; I679-W685 HydrophobicContact CD1-CB 3.39Å; I679-W685 HydrophobicContact CD1-CD2 3.72Å; I679-W685 HydrophobicContact CD1-CE3 3.66Å; I679-W685 HydrophobicContact CD1-CG 3.6Å; W685-N687 PolarHBondContact NE1-OD1 2.99Å; W685-K688 HydrophobicContact CB-CB 4.02Å; W685-K688 HydrophobicContact CD2-CB 3.55Å; W685-K688 HydrophobicContact CD2-CD 4.29Å; W685-K688 HydrophobicContact CD2-CG 3.84Å; W685-K688 HydrophobicContact CE3-CB 3.8Å; W685-K688 HydrophobicContact CE3-CD 3.69Å; W685-K688 HydrophobicContact CE3-CG 3.51Å; W685-K688 HydrophobicContact CG-CB 3.69Å; W685-K688 HydrophobicContact CG-CG 4.41Å; W685-K688 HydrophobicContact CH2-CG 4.37Å; W685-K688 HydrophobicContact CZ3-CB 4.41Å; W685-K688 HydrophobicContact CZ3-CD 4.21Å; W685-K688 HydrophobicContact CZ3-CG 3.8Å; W685-F691 HydrophobicContact CH2-CB 4.01Å; W685-F691 HydrophobicContact CH2-CG 4.38Å; W685-F691 HydrophobicContact CZ2-CB 3.75Å; W685-F691 AromaticContact CZ2-CD2 3.54Å; W685-F691 HydrophobicContact CZ2-CD2 3.54Å; W685-F691 HydrophobicContact CZ2-CE2 4.27Å; W685-F691 AromaticContact CZ2-CG 3.73Å; W685-F691 HydrophobicContact CZ2-CG 3.73Å; W685-I692 HydrophobicContact CZ3-CD1 4.48Å; W685-F714 AromaticContact CH2-CE2 3.97Å; W685-F714 HydrophobicContact CH2-CE2 3.97Å; W685-F714 HydrophobicContact CZ2-CE2 4.45Å; W685-L726 HydrophobicContact CD2-CD2 4.27Å; W685-L726 HydrophobicContact CH2-CD2 4.1Å; W685-L726 HydrophobicContact CZ2-CD2 3.53Å; W685-L726 HydrophobicContact CZ2-CG 3.8Å
686	I	81.5	Confident	74.4	Confident	88 Å²	88	71.3 Å²	71.3	45%	0.451	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-45.1	-172.6	-49.9	171.2	0	0	0	111.1	K688 E727 L729	I686-K688 VanDerWaalsContact C-N 3.33Å; I686-K688 PolarHBondContact O-N 3.49Å; I686-E727 HydrophobicContact CB-CB 4.26Å; I686-E727 HydrophobicContact CD1-CB 4.39Å; I686-E727 PolarHBondContact N-O 2.79Å; I686-L729 HydrophobicContact CD1-CB 3.91Å; I686-L729 HydrophobicContact CD1-CD1 3.47Å; I686-L729 VanDerWaalsContact CD1-CD1 3.47Å; I686-L729 HydrophobicContact CD1-CG 4.27Å; I686-L729 HydrophobicContact CG1-CB 4.1Å; I686-L729 HydrophobicContact CG1-CD1 4.45Å
687	N	82.1	Confident	72.6	Confident	10 Å²	10	75.3 Å²	75.3	5%	0.053	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	23	-177.4	67.7	-14.6	0	0	0	114	W685 V689 Q690 F691 P725 E727	W685-N687 PolarHBondContact NE1-OD1 2.99Å; N687-V689 PolarHBondContact O-N 3.4Å; N687-V689 VanDerWaalsContact O-N 3.15Å; N687-Q690 HydrophobicContact CB-CG 4.32Å; N687-Q690 WeakPolarHBondContact O-CB 3.45Å; N687-Q690 PolarHBondContact O-N 2.97Å; N687-F691 WeakPolarHBondContact O-CD2 3.37Å; N687-P725 PolarHBondContact ND2-O 3.46Å; N687-E727 HydrophobicContact CB-CB 4.44Å; N687-E727 PolarHBondContact OD1-N 2.95Å
688	K	75.8	Confident	70.4	Confident	103 Å²	103	81.7 Å²	81.7	45%	0.448	41%	0.412	S	S	.	.	H	α-helix	trans	-50.6	-40.8	178.7	-176	167.4	-176.2	177.9	0	113.4	W685 I686 Q690 F691 I692	W685-K688 HydrophobicContact CB-CB 4.02Å; W685-K688 HydrophobicContact CD2-CB 3.55Å; W685-K688 HydrophobicContact CD2-CD 4.29Å; W685-K688 HydrophobicContact CD2-CG 3.84Å; W685-K688 HydrophobicContact CE3-CB 3.8Å; W685-K688 HydrophobicContact CE3-CD 3.69Å; W685-K688 HydrophobicContact CE3-CG 3.51Å; W685-K688 HydrophobicContact CG-CB 3.69Å; W685-K688 HydrophobicContact CG-CG 4.41Å; W685-K688 HydrophobicContact CH2-CG 4.37Å; W685-K688 HydrophobicContact CZ3-CB 4.41Å; W685-K688 HydrophobicContact CZ3-CD 4.21Å; W685-K688 HydrophobicContact CZ3-CG 3.8Å; I686-K688 VanDerWaalsContact C-N 3.33Å; I686-K688 PolarHBondContact O-N 3.49Å; K688-Q690 VanDerWaalsContact C-N 3.28Å; K688-Q690 PolarHBondContact O-N 2.72Å; K688-F691 PolarHBondContact O-N 3.25Å; K688-I692 HydrophobicContact CD-CD1 3.97Å; K688-I692 HydrophobicContact CG-CD1 3.44Å; K688-I692 VanDerWaalsContact CG-CD1 3.44Å; K688-I692 HydrophobicContact CG-CG1 4.21Å; K688-I692 WeakPolarHBondContact O-CG1 3.37Å; K688-I692 PolarHBondContact O-N 2.66Å
689	V	73	Confident	68.1	Low	87 Å²	87	83.1 Å²	83.1	53%	0.527	42%	0.422	S	S	.	.	H	α-helix	trans	-63.5	-33.8	-179.2	-176.1	0	0	0	0	111.8	N687 F691 I692 N693	N687-V689 PolarHBondContact O-N 3.4Å; N687-V689 VanDerWaalsContact O-N 3.15Å; V689-F691 VanDerWaalsContact C-N 3.28Å; V689-F691 PolarHBondContact O-N 2.71Å; V689-I692 PolarHBondContact O-N 3.37Å; V689-N693 HydrophobicContact CG1-CB 4.4Å; V689-N693 VanDerWaalsContact CG1-CG 3.47Å; V689-N693 WeakPolarHBondContact CG1-ND2 3.45Å; V689-N693 WeakPolarHBondContact CG1-OD1 3.34Å; V689-N693 VanDerWaalsContact O-CB 3.28Å; V689-N693 WeakPolarHBondContact O-CB 3.28Å; V689-N693 PolarHBondContact O-N 3.4Å
690	Q	71.1	Confident	66.1	Low	114 Å²	114	88.5 Å²	88.5	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-65.7	-32.2	178.7	-65	179.6	-17.7	0	0	112.2	N687 K688	N687-Q690 HydrophobicContact CB-CG 4.32Å; N687-Q690 WeakPolarHBondContact O-CB 3.45Å; N687-Q690 PolarHBondContact O-N 2.97Å; K688-Q690 VanDerWaalsContact C-N 3.28Å; K688-Q690 PolarHBondContact O-N 2.72Å
691	F	69	Low	64	Low	2 Å²	2	91.9 Å²	91.9	1%	0.009	47%	0.473	C	S	.	.	H	α-helix	trans	-87.4	-27.5	178.3	-71.6	-90	0	0	0	113.3	W685 N687 K688 V689 F714 L718 L721 T724 L726	W685-F691 HydrophobicContact CH2-CB 4.01Å; W685-F691 HydrophobicContact CH2-CG 4.38Å; W685-F691 HydrophobicContact CZ2-CB 3.75Å; W685-F691 AromaticContact CZ2-CD2 3.54Å; W685-F691 HydrophobicContact CZ2-CD2 3.54Å; W685-F691 HydrophobicContact CZ2-CE2 4.27Å; W685-F691 AromaticContact CZ2-CG 3.73Å; W685-F691 HydrophobicContact CZ2-CG 3.73Å; N687-F691 WeakPolarHBondContact O-CD2 3.37Å; K688-F691 PolarHBondContact O-N 3.25Å; V689-F691 VanDerWaalsContact C-N 3.28Å; V689-F691 PolarHBondContact O-N 2.71Å; F691-F714 HydrophobicContact CB-CE2 4.14Å; F691-F714 AromaticContact CD1-CE2 3.88Å; F691-F714 HydrophobicContact CD1-CE2 3.88Å; F691-F714 HydrophobicContact CD1-CZ 4.46Å; F691-F714 HydrophobicContact CG-CE2 4.26Å; F691-L718 HydrophobicContact CE1-CD1 3.98Å; F691-L721 HydrophobicContact CD1-CD1 3.58Å; F691-L721 HydrophobicContact CE1-CB 4.43Å; F691-L721 HydrophobicContact CE1-CD1 3.75Å; F691-L721 HydrophobicContact CG-CD1 4.1Å; F691-L721 HydrophobicContact CZ-CD1 4.4Å; F691-T724 WeakPolarHBondContact CZ-O 3.12Å; F691-L726 HydrophobicContact CE1-CD1 4.09Å; F691-L726 HydrophobicContact CE2-CD1 4.29Å; F691-L726 HydrophobicContact CE2-CG 4.14Å; F691-L726 HydrophobicContact CZ-CD1 3.8Å; F691-L726 HydrophobicContact CZ-CG 4.17Å
692	I	63.9	Low	62.4	Low	46 Å²	46	93.4 Å²	93.4	24%	0.236	48%	0.477	C	S	.	.	H	α-helix	trans	-97.7	-27.1	-173.2	-62	-177.3	0	0	0	113	W685 K688 V689 H694 Y695	W685-I692 HydrophobicContact CZ3-CD1 4.48Å; K688-I692 HydrophobicContact CD-CD1 3.97Å; K688-I692 HydrophobicContact CG-CD1 3.44Å; K688-I692 VanDerWaalsContact CG-CD1 3.44Å; K688-I692 HydrophobicContact CG-CG1 4.21Å; K688-I692 WeakPolarHBondContact O-CG1 3.37Å; K688-I692 PolarHBondContact O-N 2.66Å; V689-I692 PolarHBondContact O-N 3.37Å; I692-H694 PolarHBondContact O-N 3.11Å; I692-Y695 HydrophobicContact CG2-CD2 4.28Å; I692-Y695 VanDerWaalsContact O-CB 3.32Å; I692-Y695 WeakPolarHBondContact O-CB 3.36Å; I692-Y695 PolarHBondContact O-N 2.79Å
693	N	53.5	Low	60.7	Low	90 Å²	90	97.8 Å²	97.8	48%	0.481	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-62.6	-11.5	-169.8	-98.7	12.4	0	0	0	116.5	V689 Y695	V689-N693 HydrophobicContact CG1-CB 4.4Å; V689-N693 VanDerWaalsContact CG1-CG 3.47Å; V689-N693 WeakPolarHBondContact CG1-ND2 3.45Å; V689-N693 WeakPolarHBondContact CG1-OD1 3.34Å; V689-N693 VanDerWaalsContact O-CB 3.28Å; V689-N693 WeakPolarHBondContact O-CB 3.28Å; V689-N693 PolarHBondContact O-N 3.4Å; N693-Y695 PolarHBondContact O-N 2.79Å
694	H	49.7	Very low	58.6	Low	134 Å²	134	105.1 Å²	105.1	62%	0.62	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-73.2	-4.2	169.7	-79.8	72.6	0	0	0	113.8	I692	I692-H694 PolarHBondContact O-N 3.11Å
695	Y	47.1	Very low	56.6	Low	59 Å²	59	106 Å²	106	23%	0.231	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-72.5	-27.5	175.1	-101.6	-102.2	0	0	0	114.8	I692 N693 S710 D713	I692-Y695 HydrophobicContact CG2-CD2 4.28Å; I692-Y695 VanDerWaalsContact O-CB 3.32Å; I692-Y695 WeakPolarHBondContact O-CB 3.36Å; I692-Y695 PolarHBondContact O-N 2.79Å; N693-Y695 PolarHBondContact O-N 2.79Å; Y695-S710 VanDerWaalsContact CE1-CB 3.42Å; Y695-S710 VanDerWaalsContact OH-C 3.24Å; Y695-S710 PolarHBondContact OH-O 3.42Å; Y695-D713 HydrophobicContact CE2-CB 4.46Å
696	Q	45.8	Very low	54.6	Low	151 Å²	151	111.9 Å²	111.9	71%	0.706	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-21	-165.1	-75.1	-169	-32.3	0	0	115.2	N698	Q696-N698 VanDerWaalsContact C-N 3.31Å; Q696-N698 PolarHBondContact O-N 2.92Å
697	D	46.1	Very low	52.8	Low	143 Å²	143	111.2 Å²	111.2	77%	0.765	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-5.3	-173.5	-80.1	-14.4	0	0	0	114.8
698	N	42.6	Very low	50.9	Low	141 Å²	141	117.7 Å²	117.7	75%	0.754	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	5.2	-179.4	-75.3	-23.2	0	0	0	115.4	Q696 D700	Q696-N698 VanDerWaalsContact C-N 3.31Å; Q696-N698 PolarHBondContact O-N 2.92Å; N698-D700 VanDerWaalsContact C-N 3.35Å; N698-D700 PolarHBondContact O-N 2.91Å
699	N	39.5	Very low	49.6	Very low	114 Å²	114	118.6 Å²	118.6	61%	0.61	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	6	180	-87.1	-11.2	0	0	0	115	N701	N699-N701 PolarHBondContact O-N 3.05Å
700	D	45.5	Very low	48.6	Very low	160 Å²	160	115.6 Å²	115.6	86%	0.856	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	5.5	177.2	-95.2	-8.9	0	0	0	114.6	N698	N698-D700 VanDerWaalsContact C-N 3.35Å; N698-D700 PolarHBondContact O-N 2.91Å
701	N	43.8	Very low	47.8	Very low	147 Å²	147	113.8 Å²	113.8	79%	0.786	59%	0.593	S	S	*	*	S	Bend	trans	-118.6	113.3	171.8	-73.1	-42.8	0	0	0	111.5	N699 D703	N699-N701 PolarHBondContact O-N 3.05Å; N701-D703 PolarHBondContact O-N 2.86Å
702	N	41.7	Very low	47.2	Very low	163 Å²	163	117.4 Å²	117.4	87%	0.872	61%	0.608	S	S	*	*			trans	-40.2	101.5	162.3	-72.4	-44.8	0	0	0	111.2
703	D	44.9	Very low	47.2	Very low	144 Å²	144	117.2 Å²	117.2	77%	0.77	61%	0.608	S	S	*	*			trans	-156.9	129.5	146	-93.6	-34.2	0	0	0	109	N701 N705	N701-D703 PolarHBondContact O-N 2.86Å; D703-N705 PolarHBondContact O-N 3.36Å
704	N	42.5	Very low	48	Very low	160 Å²	160	113.1 Å²	113.1	86%	0.856	59%	0.586	S	S	*	*			trans	-66.7	32.3	-176.4	-82.8	-38.6	0	0	0	114.1	N706	N704-N706 PolarHBondContact O-N 3.48Å; N704-N706 VanDerWaalsContact O-N 3.14Å
705	N	43.2	Very low	48.9	Very low	142 Å²	142	107.3 Å²	107.3	76%	0.759	56%	0.559	S	S	*	*			trans	-86.6	92.7	173.7	-77.1	-14.4	0	0	0	108.7	D703 N707	D703-N705 PolarHBondContact O-N 3.36Å; N705-N707 PolarHBondContact O-N 2.82Å; N705-N707 VanDerWaalsContact O-N 3.08Å
706	N	43.4	Very low	49.8	Very low	151 Å²	151	110.4 Å²	110.4	81%	0.807	58%	0.576	S	S	*	*			trans	-30.3	114.2	163.1	-72.7	-39	0	0	0	110.4	N704 M708	N704-N706 PolarHBondContact O-N 3.48Å; N704-N706 VanDerWaalsContact O-N 3.14Å; N706-M708 PolarHBondContact O-N 2.61Å
707	N	44.3	Very low	50.8	Low	75 Å²	75	104 Å²	104	40%	0.401	55%	0.546	S	S	.	.			trans	-72.2	56	-167.3	-145.7	0.1	0	0	0	111.6	N705 N709 S710	N705-N707 PolarHBondContact O-N 2.82Å; N705-N707 VanDerWaalsContact O-N 3.08Å; N707-N709 PolarHBondContact O-N 2.76Å; N707-S710 WeakPolarHBondContact O-CB 3.21Å; N707-S710 PolarHBondContact O-N 3.05Å; N707-S710 PolarHBondContact O-OG 3.3Å
708	M	42.5	Very low	51.7	Low	145 Å²	145	98.3 Å²	98.3	71%	0.714	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.5	170.4	-84.1	-65.9	-162.4	0	0	111.5	N706 S710	N706-M708 PolarHBondContact O-N 2.61Å; M708-S710 PolarHBondContact O-N 3.17Å; M708-S710 VanDerWaalsContact O-N 3.16Å
709	N	48.2	Very low	52.7	Low	123 Å²	123	95.9 Å²	95.9	66%	0.658	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23	169.4	-71.7	-5.2	0	0	0	112.3	N707 I711 F712 D713	N707-N709 PolarHBondContact O-N 2.76Å; N709-I711 VanDerWaalsContact C-N 3.34Å; N709-I711 PolarHBondContact O-N 2.96Å; N709-F712 PolarHBondContact O-N 2.84Å; N709-D713 PolarHBondContact O-N 2.8Å
710	S	52.2	Low	53.8	Low	23 Å²	23	96.4 Å²	96.4	16%	0.161	51%	0.505	C	S	.	.	H	α-helix	trans	-61.7	-36.7	-175.2	76.4	0	0	0	0	114.1	Y695 N707 M708 F712 D713	Y695-S710 VanDerWaalsContact CE1-CB 3.42Å; Y695-S710 VanDerWaalsContact OH-C 3.24Å; Y695-S710 PolarHBondContact OH-O 3.42Å; N707-S710 WeakPolarHBondContact O-CB 3.21Å; N707-S710 PolarHBondContact O-N 3.05Å; N707-S710 PolarHBondContact O-OG 3.3Å; M708-S710 PolarHBondContact O-N 3.17Å; M708-S710 VanDerWaalsContact O-N 3.16Å; S710-F712 VanDerWaalsContact C-N 3.29Å; S710-F712 PolarHBondContact O-N 3.12Å; S710-D713 PolarHBondContact O-N 2.86Å
711	I	53.7	Low	54.3	Low	77 Å²	77	91.4 Å²	91.4	40%	0.395	48%	0.478	S	S	.	.	H	α-helix	trans	-65.2	-34.9	-177.4	-74.3	174.2	0	0	0	111.8	L675 N709	L675-I711 HydrophobicContact CD1-CG2 4.43Å; L675-I711 HydrophobicContact CD2-CG2 3.57Å; N709-I711 VanDerWaalsContact C-N 3.34Å; N709-I711 PolarHBondContact O-N 2.96Å
712	F	57.2	Low	55	Low	77 Å²	77	90.5 Å²	90.5	34%	0.338	47%	0.471	S	S	.	.	H	α-helix	trans	-85.7	-12.9	-176.6	-66.9	-80.2	0	0	0	113.7	K673 N709 S710 F714 H715 Q716 L746	K673-F712 HydrophobicContact CD-CD1 4.28Å; N709-F712 PolarHBondContact O-N 2.84Å; S710-F712 VanDerWaalsContact C-N 3.29Å; S710-F712 PolarHBondContact O-N 3.12Å; F712-F714 VanDerWaalsContact C-N 3.25Å; F712-F714 PolarHBondContact O-N 3.35Å; F712-H715 PolarHBondContact O-N 2.93Å; F712-Q716 PolarHBondContact O-N 2.88Å; F712-L746 HydrophobicContact CE1-CD2 3.53Å; F712-L746 HydrophobicContact CE1-CG 4.47Å; F712-L746 HydrophobicContact CZ-CD2 3.44Å; F712-L746 VanDerWaalsContact CZ-CD2 3.44Å
713	D	64	Low	55.8	Low	42 Å²	42	90.5 Å²	90.5	23%	0.225	47%	0.47	C	S	.	.	H	α-helix	trans	-63.8	-29.4	-178.7	-71.9	-22.5	0	0	0	112.6	Y695 N709 S710 H715 Q716 N717	Y695-D713 HydrophobicContact CE2-CB 4.46Å; N709-D713 PolarHBondContact O-N 2.8Å; S710-D713 PolarHBondContact O-N 2.86Å; D713-H715 PolarHBondContact O-N 3.36Å; D713-Q716 PolarHBondContact O-N 2.76Å; D713-N717 WeakPolarHBondContact O-CB 3.22Å; D713-N717 VanDerWaalsContact O-CG 3.31Å; D713-N717 PolarHBondContact O-N 2.63Å; D713-N717 PolarHBondContact O-ND2 3.15Å
714	F	71.1	Confident	57	Low	4 Å²	4	86.4 Å²	86.4	2%	0.018	45%	0.45	C	S	.	.	H	α-helix	trans	-60.5	-44.4	177.5	178.9	-98.6	0	0	0	111.9	F674 L675 I676 P677 W685 F691 F712 N717 L718	F674-F714 HydrophobicContact CB-CD1 4.41Å; F674-F714 HydrophobicContact CB-CE1 4.13Å; F674-F714 WeakPolarHBondContact O-CD1 3.46Å; L675-F714 WeakPolarHBondContact O-CD1 3.31Å; L675-F714 WeakPolarHBondContact O-CE1 3.35Å; I676-F714 HydrophobicContact CG1-CB 3.89Å; I676-F714 HydrophobicContact CG1-CD2 4.17Å; I676-F714 HydrophobicContact CG1-CG 4.08Å; P677-F714 VanDerWaalsContact CD-CZ 3.46Å; P677-F714 HydrophobicContact CG-CE1 4.3Å; P677-F714 HydrophobicContact CG-CZ 3.97Å; W685-F714 AromaticContact CH2-CE2 3.97Å; W685-F714 HydrophobicContact CH2-CE2 3.97Å; W685-F714 HydrophobicContact CZ2-CE2 4.45Å; F691-F714 HydrophobicContact CB-CE2 4.14Å; F691-F714 AromaticContact CD1-CE2 3.88Å; F691-F714 HydrophobicContact CD1-CE2 3.88Å; F691-F714 HydrophobicContact CD1-CZ 4.46Å; F691-F714 HydrophobicContact CG-CE2 4.26Å; F712-F714 VanDerWaalsContact C-N 3.25Å; F712-F714 PolarHBondContact O-N 3.35Å; F714-N717 PolarHBondContact O-N 2.89Å; F714-L718 HydrophobicContact CE1-CD1 4.34Å; F714-L718 HydrophobicContact CZ-CD1 4.19Å; F714-L718 PolarHBondContact O-N 3.4Å
715	H	68.1	Low	58.8	Low	13 Å²	13	80.1 Å²	80.1	6%	0.06	42%	0.418	C	S	.	.	H	α-helix	trans	-68.2	-39.1	179.4	-159.7	-97.2	0	0	0	112	E671 K673 F674 F712 D713 L718 L719	E671-H715 IonicContact OE1-CE1 3.35Å; K673-H715 HydrophobicContact CB-CB 4.27Å; F674-H715 PolarHBondContact N-CD2 2.93Å; F712-H715 PolarHBondContact O-N 2.93Å; D713-H715 PolarHBondContact O-N 3.36Å; H715-L718 VanDerWaalsContact O-CB 3.28Å; H715-L718 WeakPolarHBondContact O-CB 3.23Å; H715-L718 PolarHBondContact O-N 2.84Å; H715-L719 PolarHBondContact O-N 2.82Å
716	Q	66.4	Low	60.8	Low	124 Å²	124	73.4 Å²	73.4	58%	0.579	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-42.8	172.9	-74.8	-167.3	9	0	0	112	F712 D713 L718 L719 N720	F712-Q716 PolarHBondContact O-N 2.88Å; D713-Q716 PolarHBondContact O-N 2.76Å; Q716-L718 VanDerWaalsContact C-N 3.26Å; Q716-L718 PolarHBondContact O-N 2.96Å; Q716-L719 WeakPolarHBondContact O-CB 3.4Å; Q716-L719 PolarHBondContact O-N 2.94Å; Q716-N720 PolarHBondContact O-N 2.83Å
717	N	66.5	Low	62.9	Low	16 Å²	16	68.9 Å²	68.9	9%	0.086	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-33.1	175.6	-76.5	-31.3	0	0	0	111.9	D713 F714 N720 L721	D713-N717 WeakPolarHBondContact O-CB 3.22Å; D713-N717 VanDerWaalsContact O-CG 3.31Å; D713-N717 PolarHBondContact O-N 2.63Å; D713-N717 PolarHBondContact O-ND2 3.15Å; F714-N717 PolarHBondContact O-N 2.89Å; N717-N720 WeakPolarHBondContact O-CB 3.47Å; N717-N720 PolarHBondContact O-N 2.88Å; N717-L721 WeakPolarHBondContact O-CB 3.18Å; N717-L721 WeakPolarHBondContact O-CG 3.33Å; N717-L721 PolarHBondContact O-N 2.87Å
718	L	64	Low	65	Low	24 Å²	24	65.3 Å²	65.3	13%	0.126	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-45.7	173.9	-157.9	84.4	0	0	0	112.3	F691 F714 H715 Q716 N720 L721 L828	F691-L718 HydrophobicContact CE1-CD1 3.98Å; F714-L718 HydrophobicContact CE1-CD1 4.34Å; F714-L718 HydrophobicContact CZ-CD1 4.19Å; F714-L718 PolarHBondContact O-N 3.4Å; H715-L718 VanDerWaalsContact O-CB 3.28Å; H715-L718 WeakPolarHBondContact O-CB 3.23Å; H715-L718 PolarHBondContact O-N 2.84Å; Q716-L718 VanDerWaalsContact C-N 3.26Å; Q716-L718 PolarHBondContact O-N 2.96Å; L718-N720 PolarHBondContact O-N 2.81Å; L718-L721 CarbonylContact O-C 3.47Å; L718-L721 PolarHBondContact O-N 3.4Å; L718-L721 VanDerWaalsContact O-N 3.15Å; L718-L828 HydrophobicContact CD1-CD1 3.1Å; L718-L828 HydrophobicContact CD2-CD1 3.68Å; L718-L828 HydrophobicContact CG-CD1 3.95Å
719	L	63.7	Low	67	Low	89 Å²	89	59.7 Å²	59.7	47%	0.466	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-28.8	175.4	-79.9	151.2	0	0	0	112.2	H715 Q716 M722	H715-L719 PolarHBondContact O-N 2.82Å; Q716-L719 WeakPolarHBondContact O-CB 3.4Å; Q716-L719 PolarHBondContact O-N 2.94Å; L719-M722 HydrophobicContact CD2-CE 3.93Å; L719-M722 WeakPolarHBondContact O-CE 3.2Å; L719-M722 VanDerWaalsContact O-CG 3.31Å; L719-M722 WeakPolarHBondContact O-CG 3.47Å
720	N	62.6	Low	68.9	Low	126 Å²	126	53.9 Å²	53.9	67%	0.674	28%	0.279	S	S	*	.	H	α-helix	trans	-79.4	-34.8	174.4	-68.4	-24.2	0	0	0	112.3	Q716 N717 L718 M722	Q716-N720 PolarHBondContact O-N 2.83Å; N717-N720 WeakPolarHBondContact O-CB 3.47Å; N717-N720 PolarHBondContact O-N 2.88Å; L718-N720 PolarHBondContact O-N 2.81Å; N720-M722 VanDerWaalsContact C-N 3.33Å; N720-M722 PolarHBondContact O-N 3.41Å
721	L	57.1	Low	70.3	Confident	55 Å²	55	53.5 Å²	53.5	29%	0.288	28%	0.275	S	S	.	.			trans	-93.8	49.6	-178.5	-66.7	169	0	0	0	111.4	F691 N717 L718 L723 T724	F691-L721 HydrophobicContact CD1-CD1 3.58Å; F691-L721 HydrophobicContact CE1-CB 4.43Å; F691-L721 HydrophobicContact CE1-CD1 3.75Å; F691-L721 HydrophobicContact CG-CD1 4.1Å; F691-L721 HydrophobicContact CZ-CD1 4.4Å; N717-L721 WeakPolarHBondContact O-CB 3.18Å; N717-L721 WeakPolarHBondContact O-CG 3.33Å; N717-L721 PolarHBondContact O-N 2.87Å; L718-L721 CarbonylContact O-C 3.47Å; L718-L721 PolarHBondContact O-N 3.4Å; L718-L721 VanDerWaalsContact O-N 3.15Å; L721-L723 PolarHBondContact O-N 2.86Å; L721-T724 PolarHBondContact O-N 3.37Å
722	M	57.4	Low	71.4	Confident	128 Å²	128	52.1 Å²	52.1	63%	0.631	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-15	-171.5	-81.7	-80	176.9	0	0	116.5	L719 N720	L719-M722 HydrophobicContact CD2-CE 3.93Å; L719-M722 WeakPolarHBondContact O-CE 3.2Å; L719-M722 VanDerWaalsContact O-CG 3.31Å; L719-M722 WeakPolarHBondContact O-CG 3.47Å; N720-M722 VanDerWaalsContact C-N 3.33Å; N720-M722 PolarHBondContact O-N 3.41Å
723	L	57.9	Low	72.2	Confident	163 Å²	163	51.9 Å²	51.9	85%	0.853	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	-0.5	-168.2	-67.3	170	0	0	0	115.6	L721 P725	L721-L723 PolarHBondContact O-N 2.86Å; L723-P725 WeakPolarHBondContact O-CD 3.18Å
724	T	71.7	Confident	73	Confident	58 Å²	58	50.1 Å²	50.1	36%	0.356	26%	0.263	S	S	.	.			trans	-99.6	109.6	176.6	52.6	0	0	0	0	109.9	F691 L721	F691-T724 WeakPolarHBondContact CZ-O 3.12Å; L721-T724 PolarHBondContact O-N 3.37Å
725	P	80	Confident	73.5	Confident	28 Å²	28	53.5 Å²	53.5	18%	0.182	29%	0.286	C	S	.	.			trans	-68.4	154.7	175.2	28.6	-33.6	0	0	0	110.8	N687 L723 E727 H829	N687-P725 PolarHBondContact ND2-O 3.46Å; L723-P725 WeakPolarHBondContact O-CD 3.18Å; P725-E727 PolarHBondContact O-N 2.9Å; P725-E727 VanDerWaalsContact O-N 3.17Å; P725-H829 VanDerWaalsContact CA-O 3.27Å; P725-H829 WeakPolarHBondContact CA-O 3.18Å; P725-H829 HydrophobicContact CB-CB 4Å
726	L	85.3	Confident	74.3	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	117.9	166.9	-82.2	82.3	0	0	0	109.6	P677 W685 F691 I728 L828 H829 F830 S831	P677-L726 HydrophobicContact CB-CD2 4.1Å; P677-L726 HydrophobicContact CG-CD2 3.66Å; W685-L726 HydrophobicContact CD2-CD2 4.27Å; W685-L726 HydrophobicContact CH2-CD2 4.1Å; W685-L726 HydrophobicContact CZ2-CD2 3.53Å; W685-L726 HydrophobicContact CZ2-CG 3.8Å; F691-L726 HydrophobicContact CE1-CD1 4.09Å; F691-L726 HydrophobicContact CE2-CD1 4.29Å; F691-L726 HydrophobicContact CE2-CG 4.14Å; F691-L726 HydrophobicContact CZ-CD1 3.8Å; F691-L726 HydrophobicContact CZ-CG 4.17Å; L726-I728 HydrophobicContact CB-CD1 4.1Å; L726-I728 PolarHBondContact O-N 3.06Å; L726-L828 HydrophobicContact CD1-CD1 3.71Å; L726-L828 HydrophobicContact CD1-CD2 4.34Å; L726-L828 HydrophobicContact CD1-CG 4.2Å; L726-H829 PolarHBondContact N-O 2.97Å; L726-F830 HydrophobicContact CB-CB 3.79Å; L726-F830 CarbonylContact O-C 3.51Å; L726-F830 VanDerWaalsContact O-CA 3.31Å; L726-F830 WeakPolarHBondContact O-CA 3.39Å; L726-F830 WeakPolarHBondContact O-CB 3.47Å; L726-S831 PolarHBondContact O-N 3.21Å
727	E	86.6	Confident	75.2	Confident	55 Å²	55	57.2 Å²	57.2	26%	0.257	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.8	179.1	-63.3	-162.6	152.6	0	0	110	I686 N687 P725 K809	I686-E727 HydrophobicContact CB-CB 4.26Å; I686-E727 HydrophobicContact CD1-CB 4.39Å; I686-E727 PolarHBondContact N-O 2.79Å; N687-E727 HydrophobicContact CB-CB 4.44Å; N687-E727 PolarHBondContact OD1-N 2.95Å; P725-E727 PolarHBondContact O-N 2.9Å; P725-E727 VanDerWaalsContact O-N 3.17Å; E727-K809 IonicContact OE1-NZ 3.6Å; E727-K809 PolarHBondContact OE1-NZ 3.36Å; E727-K809 IonicContact OE2-NZ 2.73Å
728	I	89.5	Confident	76.2	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129	178.9	-62.2	124.4	0	0	0	110.1	I679 A683 Q684 L726 I730 L741 F830 S831 L832 Q833	I679-I728 HydrophobicContact CD1-CG1 4.42Å; A683-I728 HydrophobicContact CB-CG2 3.98Å; Q684-I728 CarbonylContact O-C 3.46Å; Q684-I728 VanDerWaalsContact O-CA 3.26Å; Q684-I728 WeakPolarHBondContact O-CA 3.17Å; L726-I728 HydrophobicContact CB-CD1 4.1Å; L726-I728 PolarHBondContact O-N 3.06Å; I728-I730 HydrophobicContact CG2-CG1 4.17Å; I728-L741 HydrophobicContact CD1-CD1 3.71Å; I728-L741 HydrophobicContact CD1-CD2 3.4Å; I728-L741 VanDerWaalsContact CD1-CD2 3.4Å; I728-L741 HydrophobicContact CD1-CG 4.15Å; I728-L741 HydrophobicContact CG1-CD1 4.31Å; I728-L741 HydrophobicContact CG1-CD2 3.92Å; I728-L741 HydrophobicContact CG2-CD1 4.24Å; I728-F830 HydrophobicContact CD1-CB 3.97Å; I728-F830 HydrophobicContact CD1-CD2 3.7Å; I728-F830 HydrophobicContact CD1-CG 4.19Å; I728-S831 PolarHBondContact N-O 3.33Å; I728-L832 HydrophobicContact CB-CD2 3.7Å; I728-L832 HydrophobicContact CD1-CD2 4.31Å; I728-L832 HydrophobicContact CG2-CD2 3.86Å; I728-L832 WeakPolarHBondContact O-CA 3.5Å; I728-Q833 PolarHBondContact O-N 2.86Å
729	L	84.8	Confident	77.5	Confident	27 Å²	27	59.2 Å²	59.2	14%	0.141	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.6	173.1	-145.5	92.6	0	0	0	109.6	A683 Q684 I686 Q833 L835	A683-L729 CarbonylContact C-O 3.59Å; A683-L729 VanDerWaalsContact CA-O 3.28Å; A683-L729 WeakPolarHBondContact CA-O 3.37Å; Q684-L729 HydrophobicContact CB-CB 4.49Å; Q684-L729 PolarHBondContact N-O 2.9Å; Q684-L729 PolarHBondContact O-N 2.92Å; I686-L729 HydrophobicContact CD1-CB 3.91Å; I686-L729 HydrophobicContact CD1-CD1 3.47Å; I686-L729 VanDerWaalsContact CD1-CD1 3.47Å; I686-L729 HydrophobicContact CD1-CG 4.27Å; I686-L729 HydrophobicContact CG1-CB 4.1Å; I686-L729 HydrophobicContact CG1-CD1 4.45Å; L729-Q833 CarbonylContact C-O 3.44Å; L729-Q833 WeakPolarHBondContact CA-O 3.36Å; L729-Q833 HydrophobicContact CD1-CB 4.26Å; L729-L835 HydrophobicContact CD2-CB 3.46Å; L729-L835 VanDerWaalsContact CD2-CB 3.46Å; L729-L835 HydrophobicContact CD2-CD1 4.04Å; L729-L835 HydrophobicContact CD2-CD2 3.43Å; L729-L835 VanDerWaalsContact CD2-CD2 3.43Å; L729-L835 HydrophobicContact CD2-CG 3.78Å; L729-L835 HydrophobicContact CG-CB 3.94Å
730	I	86.2	Confident	78.7	Confident	1 Å²	1	55 Å²	55	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129	176.3	-52.1	170.4	0	0	0	108.6	A683 I728 C734 I740 I797 L801 L832 Q833 I834 L835	A683-I730 HydrophobicContact CB-CG1 4.2Å; I728-I730 HydrophobicContact CG2-CG1 4.17Å; I730-C734 HydrophobicContact CG2-CB 3.73Å; I730-I740 HydrophobicContact CD1-CD1 3.43Å; I730-I740 VanDerWaalsContact CD1-CD1 3.43Å; I730-I740 HydrophobicContact CG1-CD1 4.43Å; I730-I797 HydrophobicContact CG2-CD1 4.18Å; I730-L801 HydrophobicContact CB-CD1 4.41Å; I730-L801 HydrophobicContact CG2-CD1 3.56Å; I730-L832 HydrophobicContact CD1-CB 4.31Å; I730-L832 HydrophobicContact CD1-CD1 3.72Å; I730-L832 HydrophobicContact CD1-CD2 3.71Å; I730-L832 HydrophobicContact CD1-CG 4.12Å; I730-L832 HydrophobicContact CG1-CD2 4.3Å; I730-Q833 PolarHBondContact N-O 2.78Å; I730-I834 CarbonylContact O-C 3.48Å; I730-I834 VanDerWaalsContact O-CA 3.26Å; I730-I834 WeakPolarHBondContact O-CA 2.82Å; I730-L835 PolarHBondContact O-N 3.2Å
731	P	81.8	Confident	80.1	Confident	14 Å²	14	49 Å²	49	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	145.5	175.5	29.5	-34.2	0	0	0	111.8	P682 T733 C734 L801 L835 V837	P682-P731 HydrophobicContact CB-CG 3.61Å; P682-P731 HydrophobicContact CG-CG 3.56Å; P682-P731 WeakPolarHBondContact O-CD 3.37Å; P731-T733 PolarHBondContact O-N 2.79Å; P731-C734 VanDerWaalsContact O-CB 3.32Å; P731-C734 WeakPolarHBondContact O-CB 3.44Å; P731-C734 PolarHBondContact O-N 3.21Å; P731-L801 WeakPolarHBondContact O-CD1 3.4Å; P731-L835 WeakPolarHBondContact CA-O 3.32Å; P731-V837 HydrophobicContact CB-CG2 3.35Å
732	E	77.2	Confident	81.8	Confident	49 Å²	49	49.3 Å²	49.3	23%	0.229	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.4	179.7	64.1	167.5	-174.2	0	0	114.4	C734 I834 L835	E732-C734 PolarHBondContact O-N 3.03Å; E732-I834 HydrophobicContact CB-CG2 3.9Å; E732-L835 PolarHBondContact N-O 2.84Å
733	T	74.3	Confident	83.4	Confident	72 Å²	72	43.2 Å²	43.2	44%	0.442	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.1	178.2	55.5	0	0	0	0	113.2	P731 P735	P731-T733 PolarHBondContact O-N 2.79Å; T733-P735 WeakPolarHBondContact O-CD 3.46Å
734	C	80.1	Confident	85	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.034	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-59.9	123.8	-177.2	-153.9	0	0	0	0	111.2	P682 I730 P731 E732 T738 I797 L801	P682-C734 HydrophobicContact CG-CB 4.32Å; I730-C734 HydrophobicContact CG2-CB 3.73Å; P731-C734 VanDerWaalsContact O-CB 3.32Å; P731-C734 WeakPolarHBondContact O-CB 3.44Å; P731-C734 PolarHBondContact O-N 3.21Å; E732-C734 PolarHBondContact O-N 3.03Å; C734-T738 PolarHBondContact SG-OG1 2.93Å; C734-T738 VanDerWaalsContact SG-OG1 3.38Å; C734-I797 HydrophobicContact CB-CD1 3.59Å; C734-I797 WeakPolarHBondContact SG-CD1 3.06Å; C734-L801 HydrophobicContact CB-CD1 3.71Å
735	P	81.6	Confident	85.8	Confident	75 Å²	75	34.9 Å²	34.9	49%	0.487	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-67.9	153.7	-177.1	-4.7	12.4	0	0	0	112.8	T733 T738	T733-P735 WeakPolarHBondContact O-CD 3.46Å; P735-T738 HydrophobicContact CB-CG2 3.75Å; P735-T738 HydrophobicContact CG-CG2 3.61Å; P735-T738 WeakPolarHBondContact O-CG2 3.3Å; P735-T738 PolarHBondContact O-OG1 2.85Å
736	I	85.4	Confident	86.3	Confident	86 Å²	86	36.4 Å²	36.4	44%	0.441	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	147.7	169.1	-58	171.2	0	0	0	109.2	T738	I736-T738 VanDerWaalsContact C-N 3.27Å; I736-T738 PolarHBondContact O-N 3.16Å
737	N	85.9	Confident	86.5	Confident	128 Å²	128	37.2 Å²	37.2	68%	0.684	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	23.1	-176.9	-60.7	-24.9	0	0	0	114.9	I797	N737-I797 WeakPolarHBondContact CA-O 3.34Å; N737-I797 PolarHBondContact N-O 3.35Å
738	T	87.4	Confident	86.6	Confident	36 Å²	36	38 Å²	38	22%	0.221	21%	0.21	C	C	.	.			trans	-89.7	137.5	170.7	54.2	0	0	0	0	111.3	C734 P735 I736 I796 I797	C734-T738 PolarHBondContact SG-OG1 2.93Å; C734-T738 VanDerWaalsContact SG-OG1 3.38Å; P735-T738 HydrophobicContact CB-CG2 3.75Å; P735-T738 HydrophobicContact CG-CG2 3.61Å; P735-T738 WeakPolarHBondContact O-CG2 3.3Å; P735-T738 PolarHBondContact O-OG1 2.85Å; I736-T738 VanDerWaalsContact C-N 3.27Å; I736-T738 PolarHBondContact O-N 3.16Å; T738-I796 VanDerWaalsContact O-CA 3.3Å; T738-I796 WeakPolarHBondContact O-CA 3.5Å; T738-I797 PolarHBondContact O-N 3.23Å
739	V	90.3	Very high	86.7	Confident	47 Å²	47	38.2 Å²	38.2	29%	0.285	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.9	169.8	-179.9	0	0	0	0	107.8	F680 E794 I795 I796	F680-V739 WeakPolarHBondContact CB-O 3.33Å; F680-V739 HydrophobicContact CD2-CG1 3.86Å; F680-V739 HydrophobicContact CE2-CG1 3.99Å; V739-E794 HydrophobicContact CG1-CB 3.88Å; V739-E794 HydrophobicContact CG1-CG 4.05Å; V739-E794 HydrophobicContact CG2-CB 4.41Å; V739-I795 CarbonylContact C-O 3.6Å; V739-I795 VanDerWaalsContact CA-O 3.31Å; V739-I795 WeakPolarHBondContact CA-O 3.36Å; V739-I796 HydrophobicContact CG2-CG1 3.94Å
740	I	89.2	Confident	86.9	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-29.3	-178.2	50	165.5	0	0	0	113	F680 A683 I730 I786 I795 I797 L832	F680-I740 PolarHBondContact N-O 3.37Å; A683-I740 HydrophobicContact CB-CB 4.12Å; A683-I740 HydrophobicContact CB-CG2 4.33Å; I730-I740 HydrophobicContact CD1-CD1 3.43Å; I730-I740 VanDerWaalsContact CD1-CD1 3.43Å; I730-I740 HydrophobicContact CG1-CD1 4.43Å; I740-I786 HydrophobicContact CD1-CG2 4.15Å; I740-I795 HydrophobicContact CD1-CG2 3.87Å; I740-I795 HydrophobicContact CG1-CB 4.15Å; I740-I795 HydrophobicContact CG1-CG2 3.89Å; I740-I795 WeakPolarHBondContact CG1-O 3.02Å; I740-I795 PolarHBondContact N-O 3.09Å; I740-I797 HydrophobicContact CD1-CG1 4.33Å; I740-I797 HydrophobicContact CG2-CD1 3.66Å; I740-I797 HydrophobicContact CG2-CG1 3.98Å; I740-L832 HydrophobicContact CD1-CD1 4.27Å
741	L	91.8	Very high	87	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148	-176	-75.8	133.1	0	0	0	109.4	E678 I679 I728 F743 E794 I795 F830 L832	E678-L741 CarbonylContact O-C 3.59Å; E678-L741 WeakPolarHBondContact O-CA 3.49Å; I679-L741 HydrophobicContact CD1-CD2 4.11Å; I679-L741 HydrophobicContact CG1-CD2 3.56Å; I679-L741 HydrophobicContact CG1-CG 4.35Å; I728-L741 HydrophobicContact CD1-CD1 3.71Å; I728-L741 HydrophobicContact CD1-CD2 3.4Å; I728-L741 VanDerWaalsContact CD1-CD2 3.4Å; I728-L741 HydrophobicContact CD1-CG 4.15Å; I728-L741 HydrophobicContact CG1-CD1 4.31Å; I728-L741 HydrophobicContact CG1-CD2 3.92Å; I728-L741 HydrophobicContact CG2-CD1 4.24Å; L741-F743 HydrophobicContact CB-CE2 4.12Å; L741-F743 HydrophobicContact CD2-CZ 4.1Å; L741-E794 CarbonylContact O-C 3.6Å; L741-E794 WeakPolarHBondContact O-CA 3.2Å; L741-I795 HydrophobicContact CB-CB 4.12Å; L741-I795 HydrophobicContact CB-CG1 4.29Å; L741-I795 PolarHBondContact O-N 3.27Å; L741-F830 HydrophobicContact CD1-CD2 4.37Å; L741-F830 HydrophobicContact CD1-CE2 4.17Å; L741-L832 HydrophobicContact CD1-CD2 4.14Å
742	K	93	Very high	87.1	Confident	61 Å²	61	46.1 Å²	46.1	27%	0.265	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.7	164.8	177.6	-179.2	173.1	-165.3	0	109	E678 F680 P744 G793 E794	E678-K742 HydrophobicContact CB-CB 4.26Å; E678-K742 PolarHBondContact N-O 2.66Å; E678-K742 PolarHBondContact O-N 3.41Å; F680-K742 HydrophobicContact CE2-CB 3.65Å; F680-K742 HydrophobicContact CZ-CB 4.2Å; K742-P744 WeakPolarHBondContact O-CD 3.01Å; K742-G793 WeakPolarHBondContact CA-O 3.36Å; K742-E794 HydrophobicContact CB-CG 4.09Å; K742-E794 HydrophobicContact CD-CG 4.01Å; K742-E794 HydrophobicContact CG-CG 3.95Å
743	F	91.4	Very high	87.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.			trans	-105.4	88.9	179.2	-67.5	-79.3	0	0	0	109.7	F674 P677 L741 Y758 G793 I795 V814 L828 F830	F674-F743 HydrophobicContact CD1-CB 4.2Å; F674-F743 HydrophobicContact CD1-CD1 4.44Å; F674-F743 HydrophobicContact CE1-CB 4.04Å; F674-F743 HydrophobicContact CE1-CD1 4.45Å; F674-F743 HydrophobicContact CE1-CG 4.46Å; P677-F743 HydrophobicContact CB-CD1 4.01Å; P677-F743 HydrophobicContact CB-CE1 3.97Å; P677-F743 HydrophobicContact CG-CD1 3.85Å; P677-F743 HydrophobicContact CG-CE1 3.88Å; L741-F743 HydrophobicContact CB-CE2 4.12Å; L741-F743 HydrophobicContact CD2-CZ 4.1Å; F743-Y758 HydrophobicContact CB-CE1 4.35Å; F743-Y758 WeakPolarHBondContact O-CE1 3.38Å; F743-Y758 PolarHBondContact O-OH 2.85Å; F743-G793 PolarHBondContact N-O 3.03Å; F743-G793 VanDerWaalsContact N-O 3.17Å; F743-I795 HydrophobicContact CD2-CD1 4.39Å; F743-I795 HydrophobicContact CD2-CG1 4.43Å; F743-I795 HydrophobicContact CE2-CD1 3.6Å; F743-I795 HydrophobicContact CE2-CG1 4.02Å; F743-V814 HydrophobicContact CD2-CG1 4.42Å; F743-V814 HydrophobicContact CD2-CG2 3.92Å; F743-V814 HydrophobicContact CE2-CG2 3.7Å; F743-V814 HydrophobicContact CZ-CG2 4.08Å; F743-L828 HydrophobicContact CD1-CD2 3.42Å; F743-L828 VanDerWaalsContact CD1-CD2 3.42Å; F743-L828 HydrophobicContact CE1-CD2 3.38Å; F743-L828 HydrophobicContact CE1-CG 4.37Å; F743-F830 HydrophobicContact CE2-CD1 4.46Å; F743-F830 HydrophobicContact CE2-CE1 4.42Å; F743-F830 AromaticContact CZ-CD1 3.98Å; F743-F830 HydrophobicContact CZ-CD1 3.98Å; F743-F830 HydrophobicContact CZ-CE1 4.38Å; F743-F830 HydrophobicContact CZ-CG 4.27Å
744	P	90.7	Very high	88.2	Confident	25 Å²	25	43.7 Å²	43.7	16%	0.162	26%	0.255	C	S	.	.			trans	-64.9	135.6	171.5	27.2	-31.8	0	0	0	109.9	L675 I676 E678 K742	L675-P744 HydrophobicContact CB-CB 4.27Å; L675-P744 HydrophobicContact CB-CG 4.06Å; L675-P744 HydrophobicContact CD1-CB 4.5Å; L675-P744 PolarHBondContact N-O 2.9Å; I676-P744 VanDerWaalsContact O-CG 3.27Å; I676-P744 WeakPolarHBondContact O-CG 3.41Å; E678-P744 HydrophobicContact CG-CG 4.42Å; K742-P744 WeakPolarHBondContact O-CD 3.01Å
745	V	90.2	Very high	88.7	Confident	21 Å²	21	48.2 Å²	48.2	13%	0.127	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.4	179.3	172.9	0	0	0	0	107.8	P672 K673 F674 L756 Y758 V816	P672-V745 HydrophobicContact CB-CG1 3.39Å; K673-V745 CarbonylContact O-C 3.48Å; K673-V745 WeakPolarHBondContact O-CA 3.15Å; F674-V745 HydrophobicContact CD1-CG2 3.55Å; F674-V745 HydrophobicContact CE1-CG2 3.79Å; F674-V745 HydrophobicContact CG-CG2 4.2Å; V745-L756 HydrophobicContact CB-CD1 3.69Å; V745-L756 HydrophobicContact CG1-CD1 3.73Å; V745-L756 HydrophobicContact CG1-CD2 4.16Å; V745-Y758 HydrophobicContact CG2-CE1 3.94Å; V745-V816 HydrophobicContact CG1-CG1 4.26Å; V745-V816 HydrophobicContact CG2-CB 4.46Å; V745-V816 HydrophobicContact CG2-CG1 4.27Å; V745-V816 HydrophobicContact CG2-CG2 4.11Å
746	L	88.7	Confident	89.1	Confident	60 Å²	60	46.4 Å²	46.4	31%	0.314	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.3	173	175.6	60.8	0	0	0	108.5	K673 L675 F712 I748	K673-L746 PolarHBondContact N-O 3Å; K673-L746 PolarHBondContact O-N 3.49Å; L675-L746 HydrophobicContact CD1-CB 4.1Å; L675-L746 HydrophobicContact CD2-CB 3.97Å; L675-L746 HydrophobicContact CG-CB 4.09Å; F712-L746 HydrophobicContact CE1-CD2 3.53Å; F712-L746 HydrophobicContact CE1-CG 4.47Å; F712-L746 HydrophobicContact CZ-CD2 3.44Å; F712-L746 VanDerWaalsContact CZ-CD2 3.44Å; L746-I748 HydrophobicContact CD1-CG2 4.42Å; L746-I748 HydrophobicContact CD2-CG2 4.38Å; L746-I748 HydrophobicContact CG-CG2 4.13Å
747	D	90.5	Very high	89.4	Confident	18 Å²	18	44.8 Å²	44.8	10%	0.096	26%	0.256	C	S	.	.			trans	-114.6	127.6	167.6	-160.2	-25.3	0	0	0	107.4	P672 D749 L756	P672-D747 HydrophobicContact CB-CB 4.32Å; P672-D747 VanDerWaalsContact CG-OD2 3.3Å; P672-D747 WeakPolarHBondContact CG-OD2 3.42Å; D747-D749 PolarHBondContact OD1-N 3.28Å; D747-L756 HydrophobicContact CB-CD2 4.1Å
748	I	88.3	Confident	89.8	Confident	71 Å²	71	39.2 Å²	39.2	36%	0.364	23%	0.225	S	C	.	.			trans	-92.1	-11.1	-172.9	61.7	177.7	0	0	0	112.4	E634 N670 L746	E634-I748 HydrophobicContact CG-CB 4.21Å; E634-I748 HydrophobicContact CG-CD1 3.83Å; E634-I748 HydrophobicContact CG-CG1 3.87Å; N670-I748 HydrophobicContact CB-CD1 4.18Å; N670-I748 HydrophobicContact CB-CG1 3.64Å; N670-I748 VanDerWaalsContact CG-CG1 3.44Å; N670-I748 WeakPolarHBondContact ND2-CG1 3.09Å; N670-I748 WeakPolarHBondContact OD1-CD1 3.3Å; L746-I748 HydrophobicContact CD1-CG2 4.42Å; L746-I748 HydrophobicContact CD2-CG2 4.38Å; L746-I748 HydrophobicContact CG-CG2 4.13Å
749	D	91.9	Very high	90	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.027	23%	0.233	C	C	.	.	S	Bend	trans	-65.4	171.1	173.5	-64	-10.1	0	0	0	110.8	N668 D669 N670 D747 N753 S754	N668-D749 WeakPolarHBondContact CA-OD2 3.06Å; N668-D749 PolarHBondContact OD1-OD2 2.65Å; D669-D749 PolarHBondContact N-OD2 3.49Å; N670-D749 WeakPolarHBondContact CB-OD1 3.48Å; N670-D749 PolarHBondContact N-OD1 2.95Å; N670-D749 PolarHBondContact N-OD2 2.89Å; N670-D749 PolarHBondContact ND2-OD1 3.42Å; D747-D749 PolarHBondContact OD1-N 3.28Å; D749-N753 HydrophobicContact CB-CB 3.59Å; D749-S754 WeakPolarHBondContact O-CB 3.12Å; D749-S754 PolarHBondContact O-OG 3.32Å
750	S	89	Confident	90	Very high	44 Å²	44	41 Å²	41	31%	0.308	23%	0.229	S	C	.	.			trans	-111	147.5	-176.2	-70.2	0	0	0	0	114.8	Y633 D666 M752 N753	Y633-S750 VanDerWaalsContact CE1-OG 3.31Å; Y633-S750 WeakPolarHBondContact CE1-OG 3.48Å; Y633-S750 PolarHBondContact OH-OG 2.94Å; D666-S750 VanDerWaalsContact CG-N 3.28Å; D666-S750 WeakPolarHBondContact OD1-CB 3.44Å; D666-S750 PolarHBondContact OD1-N 2.56Å; D666-S750 WeakPolarHBondContact OD2-CA 3.45Å; D666-S750 PolarHBondContact OD2-N 2.81Å; D666-S750 VanDerWaalsContact OD2-O 3.09Å; S750-M752 PolarHBondContact O-N 3.27Å; S750-N753 WeakPolarHBondContact O-CB 3.32Å; S750-N753 PolarHBondContact O-N 2.84Å
751	G	87.4	Confident	89.9	Confident	55 Å²	55	46.8 Å²	46.8	57%	0.567	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-124	170.2	0	0	0	0	0	113.7	N753 S754 M755	G751-N753 PolarHBondContact O-N 3.21Å; G751-S754 PolarHBondContact N-OG 2.79Å; G751-S754 PolarHBondContact O-N 2.93Å; G751-M755 PolarHBondContact O-N 3.1Å
752	M	84.5	Confident	89.4	Confident	109 Å²	109	48.6 Å²	48.6	54%	0.537	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.3	177.9	-68.7	-70.4	-68	0	0	111.7	S750 S754 M755 Q819	S750-M752 PolarHBondContact O-N 3.27Å; M752-S754 VanDerWaalsContact C-N 3.3Å; M752-S754 PolarHBondContact O-N 2.93Å; M752-M755 PolarHBondContact O-N 3.04Å; M752-M755 HydrophobicContact SD-SD 3.78Å; M752-Q819 HydrophobicContact CE-CB 4.08Å; M752-Q819 CarbonylContact O-C 3.6Å; M752-Q819 WeakPolarHBondContact O-CB 3.35Å; M752-Q819 PolarHBondContact O-N 3.06Å
753	N	86	Confident	88.5	Confident	31 Å²	31	49 Å²	49	17%	0.166	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-26.3	178.5	-62.8	-20.4	0	0	0	111.7	D666 N668 D749 S750 G751 D818 G820	D666-N753 PolarHBondContact O-ND2 2.77Å; D666-N753 PolarHBondContact OD2-ND2 2.94Å; N668-N753 HydrophobicContact CB-CB 4.23Å; N668-N753 VanDerWaalsContact OD1-CB 3.31Å; N668-N753 WeakPolarHBondContact OD1-CB 3.32Å; N668-N753 PolarHBondContact OD1-O 3.17Å; D749-N753 HydrophobicContact CB-CB 3.59Å; S750-N753 WeakPolarHBondContact O-CB 3.32Å; S750-N753 PolarHBondContact O-N 2.84Å; G751-N753 PolarHBondContact O-N 3.21Å; N753-D818 WeakPolarHBondContact O-CB 3.41Å; N753-G820 WeakPolarHBondContact OD1-CA 3.38Å
754	S	88.4	Confident	87.1	Confident	39 Å²	39	50.9 Å²	50.9	27%	0.273	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.8	170	45.3	0	0	0	0	115.6	D749 G751 M752 L756	D749-S754 WeakPolarHBondContact O-CB 3.12Å; D749-S754 PolarHBondContact O-OG 3.32Å; G751-S754 PolarHBondContact N-OG 2.79Å; G751-S754 PolarHBondContact O-N 2.93Å; M752-S754 VanDerWaalsContact C-N 3.3Å; M752-S754 PolarHBondContact O-N 2.93Å; S754-L756 PolarHBondContact O-N 3.25Å
755	M	90.4	Very high	85.1	Confident	100 Å²	100	58.2 Å²	58.2	49%	0.493	31%	0.31	S	S	.	.			trans	-75.2	118.5	175.2	-88.7	-162.3	166.5	0	0	111.1	G751 M752 D818 Q819	G751-M755 PolarHBondContact O-N 3.1Å; M752-M755 PolarHBondContact O-N 3.04Å; M752-M755 HydrophobicContact SD-SD 3.78Å; M755-D818 CarbonylContact O-C 3.46Å; M755-D818 VanDerWaalsContact O-CA 3.31Å; M755-D818 WeakPolarHBondContact O-CA 3.14Å; M755-Q819 HydrophobicContact CB-CB 4.2Å; M755-Q819 HydrophobicContact CB-CG 4.14Å; M755-Q819 WeakPolarHBondContact O-CG 3.39Å; M755-Q819 PolarHBondContact O-N 3.33Å
756	L	91.3	Very high	82.7	Confident	38 Å²	38	66.6 Å²	66.6	20%	0.199	34%	0.34	C	S	.	.			trans	-93.3	145.7	-173.2	-56.1	176.9	0	0	0	113.3	P672 V745 D747 S754 Y758 V816	P672-L756 HydrophobicContact CB-CD2 3.67Å; P672-L756 HydrophobicContact CG-CD2 3.79Å; V745-L756 HydrophobicContact CB-CD1 3.69Å; V745-L756 HydrophobicContact CG1-CD1 3.73Å; V745-L756 HydrophobicContact CG1-CD2 4.16Å; D747-L756 HydrophobicContact CB-CD2 4.1Å; S754-L756 PolarHBondContact O-N 3.25Å; L756-Y758 HydrophobicContact CB-CE2 3.96Å; L756-Y758 HydrophobicContact CD1-CE2 4.38Å; L756-V816 HydrophobicContact CB-CG1 4.15Å; L756-V816 HydrophobicContact CD2-CG1 3.97Å; L756-V816 HydrophobicContact CG-CG1 4.45Å
757	N	91.6	Very high	80.3	Confident	51 Å²	51	70.5 Å²	70.5	27%	0.273	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.4	169.4	-172.6	7.1	0	0	0	110.2	H790 K817	N757-H790 PolarHBondContact OD1-O 2.81Å; N757-K817 HydrophobicContact CB-CG 4.09Å; N757-K817 PolarHBondContact N-O 3.07Å; N757-K817 PolarHBondContact O-N 2.81Å; N757-K817 VanDerWaalsContact O-N 3.11Å
758	Y	94.3	Very high	77.8	Confident	12 Å²	12	74.2 Å²	74.2	5%	0.047	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.9	-178.2	-64.4	-101.1	0	0	0	110.9	F743 V745 L756 I788 H790 V814 V816	F743-Y758 HydrophobicContact CB-CE1 4.35Å; F743-Y758 WeakPolarHBondContact O-CE1 3.38Å; F743-Y758 PolarHBondContact O-OH 2.85Å; V745-Y758 HydrophobicContact CG2-CE1 3.94Å; L756-Y758 HydrophobicContact CB-CE2 3.96Å; L756-Y758 HydrophobicContact CD1-CE2 4.38Å; Y758-I788 HydrophobicContact CD1-CD1 4.36Å; Y758-H790 WeakPolarHBondContact CD2-O 3.15Å; Y758-H790 PolarHBondContact N-O 2.81Å; Y758-H790 WeakPolarHBondContact O-CA 3.1Å; Y758-H790 PolarHBondContact O-ND1 3.46Å; Y758-V814 HydrophobicContact CD1-CG1 4.31Å; Y758-V816 HydrophobicContact CD1-CB 4.45Å; Y758-V816 HydrophobicContact CD1-CG1 4.43Å; Y758-V816 HydrophobicContact CD1-CG2 3.26Å; Y758-V816 HydrophobicContact CE1-CB 4.49Å; Y758-V816 HydrophobicContact CE1-CG1 4.24Å; Y758-V816 HydrophobicContact CE1-CG2 3.42Å; Y758-V816 VanDerWaalsContact CE1-CG2 3.42Å; Y758-V816 HydrophobicContact CG-CG2 4.06Å
759	E	91.6	Very high	75.3	Confident	83 Å²	83	78.5 Å²	78.5	39%	0.388	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.4	175.8	-175.5	177.6	164	0	0	109.2	V814 I815 K817	E759-V814 WeakPolarHBondContact O-CA 3.43Å; E759-I815 HydrophobicContact CB-CB 4.31Å; E759-I815 PolarHBondContact N-O 2.89Å; E759-I815 PolarHBondContact O-N 2.78Å; E759-K817 IonicContact OE2-NZ 3.78Å
760	L	90.6	Very high	72.9	Confident	37 Å²	37	83 Å²	83	19%	0.194	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.1	179.4	-178.8	73.9	0	0	0	109	I786 I788 I795 Y812 V814 F830	L760-I786 HydrophobicContact CD2-CD1 3.77Å; L760-I786 HydrophobicContact CD2-CG1 4.18Å; L760-I788 HydrophobicContact CB-CB 3.77Å; L760-I788 HydrophobicContact CB-CG2 3.39Å; L760-I788 HydrophobicContact CD2-CB 4.3Å; L760-I795 HydrophobicContact CD1-CD1 4.18Å; L760-Y812 HydrophobicContact CD1-CD1 4.19Å; L760-Y812 HydrophobicContact CD1-CG 4.33Å; L760-Y812 HydrophobicContact CD2-CD1 4.23Å; L760-Y812 HydrophobicContact CG-CD1 4.16Å; L760-V814 HydrophobicContact CD1-CG2 3.98Å; L760-F830 HydrophobicContact CD1-CE1 3.64Å; L760-F830 HydrophobicContact CD1-CZ 3.94Å
761	R	86.3	Confident	70.4	Confident	123 Å²	123	86.5 Å²	86.5	46%	0.464	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.6	178.8	-175	168.5	69	162.8	5	110	Y812 E813	R761-Y812 CarbonylContact O-C 3.59Å; R761-Y812 WeakPolarHBondContact O-CA 3.35Å; R761-E813 HydrophobicContact CB-CB 4.48Å; R761-E813 IonicContact CZ-OE2 3.61Å; R761-E813 PolarHBondContact N-O 2.76Å; R761-E813 IonicContact NE-OE2 2.61Å; R761-E813 PolarHBondContact NE-OE2 2.9Å; R761-E813 IonicContact NH2-OE1 2.66Å; R761-E813 PolarHBondContact NH2-OE1 2.88Å; R761-E813 VanDerWaalsContact NH2-OE1 3.09Å; R761-E813 IonicContact NH2-OE2 3.86Å; R761-E813 PolarHBondContact NH2-OE2 2.95Å; R761-E813 PolarHBondContact O-N 3.43Å
762	S	82.1	Confident	68	Low	38 Å²	38	91.9 Å²	91.9	27%	0.266	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.2	170.4	-178.2	0	0	0	0	109.8
763	I	72.6	Confident	65.9	Low	70 Å²	70	92.9 Å²	92.9	36%	0.359	47%	0.473	S	S	.	.			trans	-90.2	-33.7	179.5	-65.8	167	0	0	0	111	Q765 I811 E813 H829	I763-Q765 PolarHBondContact O-N 2.89Å; I763-I811 HydrophobicContact CB-CB 4.48Å; I763-I811 HydrophobicContact CB-CG2 4.15Å; I763-I811 HydrophobicContact CD1-CG2 3.91Å; I763-I811 PolarHBondContact N-O 2.91Å; I763-E813 HydrophobicContact CD1-CB 3.77Å; I763-E813 HydrophobicContact CG1-CB 4.19Å; I763-H829 WeakPolarHBondContact CD1-ND1 3.26Å
764	N	62.1	Low	63.4	Low	39 Å²	39	97.4 Å²	97.4	21%	0.209	51%	0.507	C	S	.	.			trans	-76.9	70.6	-179.2	-77.3	-13.7	0	0	0	111.7	Y766 K809 I811	N764-Y766 VanDerWaalsContact C-N 3.28Å; N764-Y766 PolarHBondContact O-N 2.96Å; N764-K809 PolarHBondContact ND2-O 2.9Å; N764-I811 PolarHBondContact ND2-N 3.45Å
765	Q	49.2	Very low	60.9	Low	179 Å²	179	98.6 Å²	98.6	84%	0.836	53%	0.526	S	S	*	.			trans	-89.5	64.6	150.9	-72.8	-175.9	-8.6	0	0	108.6	I763 L767	I763-Q765 PolarHBondContact O-N 2.89Å; Q765-L767 VanDerWaalsContact C-N 3.34Å; Q765-L767 PolarHBondContact O-N 3.43Å
766	Y	40.9	Very low	58.5	Low	196 Å²	196	96.2 Å²	96.2	77%	0.769	52%	0.518	S	S	*	.			trans	-68.1	99.7	167.5	-92.3	-80.4	0	0	0	109	N764 L768	N764-Y766 VanDerWaalsContact C-N 3.28Å; N764-Y766 PolarHBondContact O-N 2.96Å; Y766-L768 PolarHBondContact O-N 3.16Å
767	L	37.7	Very low	56.3	Low	142 Å²	142	100 Å²	100	74%	0.743	54%	0.543	S	S	*	.			trans	29.1	57	143.5	-128.1	97.7	0	0	0	117.5	Q765 N769	Q765-L767 VanDerWaalsContact C-N 3.34Å; Q765-L767 PolarHBondContact O-N 3.43Å; L767-N769 PolarHBondContact O-N 3.08Å; L767-N769 VanDerWaalsContact O-N 3.12Å
768	L	37.9	Very low	54	Low	96 Å²	96	104.1 Å²	104.1	50%	0.503	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-70.3	4.2	165.4	-105.8	148	0	0	0	113.2	Y766 S770 L771 I779	Y766-L768 PolarHBondContact O-N 3.16Å; L768-S770 PolarHBondContact O-N 3.43Å; L768-L771 PolarHBondContact O-N 3.21Å; L768-I779 HydrophobicContact CD1-CG2 4.05Å
769	N	35.3	Very low	51.5	Low	162 Å²	162	107.1 Å²	107.1	87%	0.866	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-65.8	5.5	174.6	-91.1	1.8	0	0	0	115.2	L767	L767-N769 PolarHBondContact O-N 3.08Å; L767-N769 VanDerWaalsContact O-N 3.12Å
770	S	40.7	Very low	49.2	Very low	99 Å²	99	109.2 Å²	109.2	69%	0.692	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-102.2	-3.6	172	65.9	0	0	0	0	114.9	L768	L768-S770 PolarHBondContact O-N 3.43Å
771	L	38.3	Very low	47.1	Very low	118 Å²	118	112.1 Å²	112.1	62%	0.618	61%	0.607	S	S	*	*			trans	-125.8	96.2	176.9	-76.3	159.5	0	0	0	110.3	L768 L773	L768-L771 PolarHBondContact O-N 3.21Å; L771-L773 PolarHBondContact O-N 3.38Å
772	N	36.9	Very low	45.4	Very low	168 Å²	168	110 Å²	110	90%	0.898	60%	0.603	S	S	*	*			trans	-59.7	75.8	164.8	-81	-25.7	0	0	0	110.3
773	L	39.7	Very low	44.1	Very low	130 Å²	130	110.7 Å²	110.7	68%	0.681	60%	0.603	S	S	*	*			trans	-102.8	92.6	155.9	-95.5	108.5	0	0	0	108	L771 G775	L771-L773 PolarHBondContact O-N 3.38Å; L773-G775 VanDerWaalsContact C-N 3.32Å; L773-G775 PolarHBondContact O-N 2.71Å
774	S	34.2	Very low	44	Very low	126 Å²	126	112 Å²	112	88%	0.881	61%	0.611	S	S	*	*			trans	-60.3	96	160.5	52.8	0	0	0	0	108.6
775	G	35.5	Very low	45	Very low	64 Å²	64	110.2 Å²	110.2	66%	0.66	60%	0.601	S	S	*	*			trans	109.8	86.7	169.3	0	0	0	0	0	114.4	L773	L773-G775 VanDerWaalsContact C-N 3.32Å; L773-G775 PolarHBondContact O-N 2.71Å
776	S	40.5	Very low	46.9	Very low	49 Å²	49	102.1 Å²	102.1	34%	0.343	56%	0.564	S	S	.	*				-160.9	121.2	122.6	59.8	0	0	0	0	108.9	E778 I779	S776-E778 PolarHBondContact O-N 3.28Å; S776-I779 PolarHBondContact O-N 2.83Å
777	T	43.6	Very low	49.2	Very low	117 Å²	117	100.3 Å²	100.3	72%	0.718	56%	0.555	S	S	*	*	H	α-helix	trans	-55.4	-8.1	162.6	39.9	0	0	0	0	112.7	N781	T777-N781 PolarHBondContact O-N 3.32Å
778	E	43.9	Very low	51.8	Low	138 Å²	138	93.7 Å²	93.7	65%	0.645	52%	0.521	S	S	*	.	H	α-helix	trans	-70.2	-33.6	-179.8	-66.7	176.9	159.9	0	0	113.2	S776 N781 M782	S776-E778 PolarHBondContact O-N 3.28Å; E778-N781 PolarHBondContact O-N 3.11Å; E778-M782 PolarHBondContact O-N 3.12Å
779	I	41.4	Very low	54.3	Low	75 Å²	75	91.3 Å²	91.3	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-74.5	-40.9	-178.9	-59.2	176.1	0	0	0	111.3	L768 S776 N781 M782	L768-I779 HydrophobicContact CD1-CG2 4.05Å; S776-I779 PolarHBondContact O-N 2.83Å; I779-N781 PolarHBondContact O-N 3.42Å; I779-M782 PolarHBondContact O-N 3.46Å; I779-M782 VanDerWaalsContact O-N 3.14Å
780	N	43.7	Very low	56.9	Low	127 Å²	127	88.1 Å²	88.1	68%	0.679	49%	0.489	S	S	*	.	H	α-helix	trans	-62.5	-36	173.3	-81.7	2	0	0	0	111.2	M782	N780-M782 VanDerWaalsContact C-N 3.32Å; N780-M782 PolarHBondContact O-N 2.71Å
781	N	46.2	Very low	59.1	Low	99 Å²	99	88.3 Å²	88.3	53%	0.529	49%	0.486	S	S	.	.	H	α-helix	trans	-69.9	-25.8	176.2	-76.7	-5.8	0	0	0	113.3	T777 E778 I779 I783 Q799	T777-N781 PolarHBondContact O-N 3.32Å; E778-N781 PolarHBondContact O-N 3.11Å; I779-N781 PolarHBondContact O-N 3.42Å; N781-I783 VanDerWaalsContact C-N 3.33Å; N781-I783 PolarHBondContact O-N 3.07Å; N781-Q799 VanDerWaalsContact O-CD 3.29Å; N781-Q799 PolarHBondContact O-NE2 3.3Å; N781-Q799 PolarHBondContact O-OE1 2.99Å
782	M	50.4	Low	61.5	Low	78 Å²	78	85 Å²	85	38%	0.384	47%	0.47	S	S	.	.	H	α-helix	trans	-73.7	-19.6	179.1	-82.9	-168.6	75	0	0	114.3	E778 I779 N780 L803	E778-M782 PolarHBondContact O-N 3.12Å; I779-M782 PolarHBondContact O-N 3.46Å; I779-M782 VanDerWaalsContact O-N 3.14Å; N780-M782 VanDerWaalsContact C-N 3.32Å; N780-M782 PolarHBondContact O-N 2.71Å; M782-L803 WeakPolarHBondContact CE-O 3.19Å
783	I	55.5	Low	64.1	Low	52 Å²	52	77 Å²	77	27%	0.267	43%	0.427	S	S	.	.	H	α-helix	trans	-93.2	-30.4	-170.7	-59.6	171.9	0	0	0	111.9	N781 F785 Y812	N781-I783 VanDerWaalsContact C-N 3.33Å; N781-I783 PolarHBondContact O-N 3.07Å; I783-F785 WeakPolarHBondContact O-CD1 3.49Å; I783-F785 PolarHBondContact O-N 3.14Å; I783-Y812 PolarHBondContact O-OH 3.45Å
784	D	70.5	Confident	66.6	Low	99 Å²	99	73.3 Å²	73.3	53%	0.529	41%	0.407	S	S	.	.			trans	-94.1	61.3	179.8	-69.1	-18.8	0	0	0	111.9	I786	D784-I786 VanDerWaalsContact C-N 3.29Å
785	F	82.5	Confident	69.4	Low	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.365	C	S	.	.			trans	-82.3	-5.9	176.7	64.1	-91.6	0	0	0	113.6	I783 I797 C798 Q799 L801 I804 Y810 L832	I783-F785 WeakPolarHBondContact O-CD1 3.49Å; I783-F785 PolarHBondContact O-N 3.14Å; F785-I797 CarbonylContact O-C 3.58Å; F785-C798 PolarHBondContact O-N 2.74Å; F785-Q799 HydrophobicContact CB-CB 4.2Å; F785-L801 HydrophobicContact CB-CD2 4.45Å; F785-L801 HydrophobicContact CD2-CD2 3.55Å; F785-L801 HydrophobicContact CE2-CD2 4.08Å; F785-L801 HydrophobicContact CG-CD2 4.2Å; F785-I804 HydrophobicContact CB-CD1 3.42Å; F785-I804 VanDerWaalsContact CB-CD1 3.42Å; F785-I804 HydrophobicContact CD1-CD1 3.61Å; F785-I804 HydrophobicContact CD1-CG2 4.37Å; F785-I804 HydrophobicContact CD2-CD1 3.97Å; F785-I804 HydrophobicContact CE1-CD1 4.33Å; F785-I804 HydrophobicContact CE1-CG2 4.29Å; F785-I804 HydrophobicContact CG-CD1 3.4Å; F785-Y810 AromaticContact CE1-CD1 3.84Å; F785-Y810 HydrophobicContact CE1-CD1 3.84Å; F785-Y810 AromaticContact CE1-CD2 3.89Å; F785-Y810 HydrophobicContact CE1-CD2 3.89Å; F785-Y810 HydrophobicContact CE1-CE1 4.05Å; F785-Y810 HydrophobicContact CE1-CE2 4.11Å; F785-Y810 AromaticContact CE1-CG 3.76Å; F785-Y810 HydrophobicContact CE1-CG 3.76Å; F785-Y810 AromaticContact CZ-CD2 3.86Å; F785-Y810 HydrophobicContact CZ-CD2 3.86Å; F785-Y810 HydrophobicContact CZ-CE2 4.34Å; F785-Y810 AromaticContact CZ-CG 3.98Å; F785-Y810 HydrophobicContact CZ-CG 3.98Å; F785-L832 HydrophobicContact CE2-CD1 3.95Å; F785-L832 HydrophobicContact CZ-CB 4.48Å; F785-L832 HydrophobicContact CZ-CD1 4.19Å
786	I	88.8	Confident	72	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.051	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.5	173.7	58.3	156.6	0	0	0	112.2	I740 L760 D784 I795 I796 I797 Y812 F830 L832	I740-I786 HydrophobicContact CD1-CG2 4.15Å; L760-I786 HydrophobicContact CD2-CD1 3.77Å; L760-I786 HydrophobicContact CD2-CG1 4.18Å; D784-I786 VanDerWaalsContact C-N 3.29Å; I786-I795 HydrophobicContact CB-CG2 3.87Å; I786-I795 HydrophobicContact CD1-CG2 3.84Å; I786-I795 HydrophobicContact CG1-CG2 4.47Å; I786-I795 HydrophobicContact CG2-CG2 4.1Å; I786-I796 CarbonylContact C-O 3.57Å; I786-I796 VanDerWaalsContact CA-O 3.29Å; I786-I796 WeakPolarHBondContact CA-O 3.25Å; I786-I797 HydrophobicContact CG2-CG1 4.36Å; I786-Y812 HydrophobicContact CD1-CD1 3.95Å; I786-Y812 HydrophobicContact CD1-CD2 3.79Å; I786-Y812 HydrophobicContact CD1-CE1 3.74Å; I786-Y812 HydrophobicContact CD1-CE2 3.58Å; I786-Y812 HydrophobicContact CD1-CG 3.97Å; I786-Y812 HydrophobicContact CG1-CD1 4.49Å; I786-Y812 HydrophobicContact CG1-CE1 3.82Å; I786-Y812 HydrophobicContact CG1-CE2 4.01Å; I786-F830 HydrophobicContact CD1-CE2 4.3Å; I786-F830 HydrophobicContact CD1-CZ 3.89Å; I786-L832 HydrophobicContact CD1-CD1 3.76Å; I786-L832 HydrophobicContact CG1-CD1 4.37Å; I786-L832 HydrophobicContact CG2-CD1 3.94Å
787	R	89.4	Confident	74.3	Confident	157 Å²	157	64 Å²	64	59%	0.592	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	147	172.1	174.8	-179.4	148.3	-176.2	-7.3	109.9	I795 I796 C798	R787-I795 WeakPolarHBondContact O-CA 3.36Å; R787-I796 PolarHBondContact N-O 3.49Å; R787-I796 PolarHBondContact O-N 3.33Å; R787-C798 WeakPolarHBondContact CB-SG 3.49Å
788	I	92.9	Very high	76.3	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.3	170.5	-161.1	161	0	0	0	111.6	Y758 L760 E794 I795 V814	Y758-I788 HydrophobicContact CD1-CD1 4.36Å; L760-I788 HydrophobicContact CB-CB 3.77Å; L760-I788 HydrophobicContact CB-CG2 3.39Å; L760-I788 HydrophobicContact CD2-CB 4.3Å; I788-E794 CarbonylContact C-O 3.55Å; I788-E794 WeakPolarHBondContact CA-O 3.44Å; I788-I795 HydrophobicContact CD1-CG1 4.36Å; I788-I795 HydrophobicContact CG1-CG1 4.27Å; I788-V814 HydrophobicContact CD1-CG1 3.8Å; I788-V814 HydrophobicContact CD1-CG2 4.3Å
789	N	91.3	Very high	78.1	Confident	46 Å²	46	57.3 Å²	57.3	25%	0.246	29%	0.293	C	S	.	.			trans	-80.3	117.5	164.4	-174.1	-17.2	0	0	0	109.6	T791 T792 G793 E794	N789-T791 PolarHBondContact O-N 3.17Å; N789-T791 VanDerWaalsContact O-N 3.09Å; N789-T791 PolarHBondContact OD1-N 3.48Å; N789-T791 VanDerWaalsContact OD1-N 3.17Å; N789-T791 PolarHBondContact OD1-OG1 3.23Å; N789-T791 VanDerWaalsContact OD1-OG1 3.12Å; N789-T792 VanDerWaalsContact CB-OG1 3.25Å; N789-T792 WeakPolarHBondContact CB-OG1 3.36Å; N789-T792 PolarHBondContact ND2-OG1 3.11Å; N789-T792 PolarHBondContact O-N 3.23Å; N789-G793 PolarHBondContact O-N 2.99Å; N789-E794 HydrophobicContact CB-CB 4.34Å; N789-E794 PolarHBondContact N-O 2.87Å
790	H	89.5	Confident	80	Confident	95 Å²	95	56.7 Å²	56.7	44%	0.44	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.9	-175.8	-63.5	-63.8	0	0	0	114.5	N757 Y758	N757-H790 PolarHBondContact OD1-O 2.81Å; Y758-H790 WeakPolarHBondContact CD2-O 3.15Å; Y758-H790 PolarHBondContact N-O 2.81Å; Y758-H790 WeakPolarHBondContact O-CA 3.1Å; Y758-H790 PolarHBondContact O-ND1 3.46Å
791	T	87.3	Confident	81.7	Confident	103 Å²	103	50.6 Å²	50.6	63%	0.632	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-34.9	-179.4	57.4	0	0	0	0	113.8	N789	N789-T791 PolarHBondContact O-N 3.17Å; N789-T791 VanDerWaalsContact O-N 3.09Å; N789-T791 PolarHBondContact OD1-N 3.48Å; N789-T791 VanDerWaalsContact OD1-N 3.17Å; N789-T791 PolarHBondContact OD1-OG1 3.23Å; N789-T791 VanDerWaalsContact OD1-OG1 3.12Å
792	T	88.6	Confident	82.8	Confident	48 Å²	48	53.1 Å²	53.1	29%	0.294	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-14	-174.1	63.5	0	0	0	0	114.2	N789 E794	N789-T792 VanDerWaalsContact CB-OG1 3.25Å; N789-T792 WeakPolarHBondContact CB-OG1 3.36Å; N789-T792 PolarHBondContact ND2-OG1 3.11Å; N789-T792 PolarHBondContact O-N 3.23Å; T792-E794 PolarHBondContact O-N 3.17Å; T792-E794 WeakPolarHBondContact OG1-CB 3.38Å; T792-E794 VanDerWaalsContact OG1-CD 3.23Å; T792-E794 WeakPolarHBondContact OG1-CG 3.35Å; T792-E794 PolarHBondContact OG1-OE2 3.16Å
793	G	90.2	Very high	83.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.			trans	70.5	14.4	-174.7	0	0	0	0	0	114.2	K742 F743 N789	K742-G793 WeakPolarHBondContact CA-O 3.36Å; F743-G793 PolarHBondContact N-O 3.03Å; F743-G793 VanDerWaalsContact N-O 3.17Å; N789-G793 PolarHBondContact O-N 2.99Å
794	E	93.8	Very high	84.5	Confident	52 Å²	52	54.7 Å²	54.7	24%	0.243	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131	178.6	-69.7	165.6	161.5	0	0	111.3	V739 L741 K742 I788 N789 T792	V739-E794 HydrophobicContact CG1-CB 3.88Å; V739-E794 HydrophobicContact CG1-CG 4.05Å; V739-E794 HydrophobicContact CG2-CB 4.41Å; L741-E794 CarbonylContact O-C 3.6Å; L741-E794 WeakPolarHBondContact O-CA 3.2Å; K742-E794 HydrophobicContact CB-CG 4.09Å; K742-E794 HydrophobicContact CD-CG 4.01Å; K742-E794 HydrophobicContact CG-CG 3.95Å; I788-E794 CarbonylContact C-O 3.55Å; I788-E794 WeakPolarHBondContact CA-O 3.44Å; N789-E794 HydrophobicContact CB-CB 4.34Å; N789-E794 PolarHBondContact N-O 2.87Å; T792-E794 PolarHBondContact O-N 3.17Å; T792-E794 WeakPolarHBondContact OG1-CB 3.38Å; T792-E794 VanDerWaalsContact OG1-CD 3.23Å; T792-E794 WeakPolarHBondContact OG1-CG 3.35Å; T792-E794 PolarHBondContact OG1-OE2 3.16Å
795	I	92.5	Very high	84.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.3	173.7	-58.5	-161.3	0	0	0	109.8	V739 I740 L741 F743 L760 I786 R787 I788 V814 F830	V739-I795 CarbonylContact C-O 3.6Å; V739-I795 VanDerWaalsContact CA-O 3.31Å; V739-I795 WeakPolarHBondContact CA-O 3.36Å; I740-I795 HydrophobicContact CD1-CG2 3.87Å; I740-I795 HydrophobicContact CG1-CB 4.15Å; I740-I795 HydrophobicContact CG1-CG2 3.89Å; I740-I795 WeakPolarHBondContact CG1-O 3.02Å; I740-I795 PolarHBondContact N-O 3.09Å; L741-I795 HydrophobicContact CB-CB 4.12Å; L741-I795 HydrophobicContact CB-CG1 4.29Å; L741-I795 PolarHBondContact O-N 3.27Å; F743-I795 HydrophobicContact CD2-CD1 4.39Å; F743-I795 HydrophobicContact CD2-CG1 4.43Å; F743-I795 HydrophobicContact CE2-CD1 3.6Å; F743-I795 HydrophobicContact CE2-CG1 4.02Å; L760-I795 HydrophobicContact CD1-CD1 4.18Å; I786-I795 HydrophobicContact CB-CG2 3.87Å; I786-I795 HydrophobicContact CD1-CG2 3.84Å; I786-I795 HydrophobicContact CG1-CG2 4.47Å; I786-I795 HydrophobicContact CG2-CG2 4.1Å; R787-I795 WeakPolarHBondContact O-CA 3.36Å; I788-I795 HydrophobicContact CD1-CG1 4.36Å; I788-I795 HydrophobicContact CG1-CG1 4.27Å; I795-V814 HydrophobicContact CD1-CG2 4.5Å; I795-F830 HydrophobicContact CD1-CE1 3.55Å; I795-F830 HydrophobicContact CD1-CE2 3.95Å; I795-F830 HydrophobicContact CD1-CZ 3.17Å
796	I	90.5	Very high	83.5	Confident	44 Å²	44	54.8 Å²	54.8	23%	0.226	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.5	-175.1	-58	168.6	0	0	0	109.7	T738 V739 I786 R787	T738-I796 VanDerWaalsContact O-CA 3.3Å; T738-I796 WeakPolarHBondContact O-CA 3.5Å; V739-I796 HydrophobicContact CG2-CG1 3.94Å; I786-I796 CarbonylContact C-O 3.57Å; I786-I796 VanDerWaalsContact CA-O 3.29Å; I786-I796 WeakPolarHBondContact CA-O 3.25Å; R787-I796 PolarHBondContact N-O 3.49Å; R787-I796 PolarHBondContact O-N 3.33Å
797	I	88.2	Confident	82.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.4	170.6	-65.5	175.6	0	0	0	109.9	I730 C734 N737 T738 I740 F785 I786 Q799 L801	I730-I797 HydrophobicContact CG2-CD1 4.18Å; C734-I797 HydrophobicContact CB-CD1 3.59Å; C734-I797 WeakPolarHBondContact SG-CD1 3.06Å; N737-I797 WeakPolarHBondContact CA-O 3.34Å; N737-I797 PolarHBondContact N-O 3.35Å; T738-I797 PolarHBondContact O-N 3.23Å; I740-I797 HydrophobicContact CD1-CG1 4.33Å; I740-I797 HydrophobicContact CG2-CD1 3.66Å; I740-I797 HydrophobicContact CG2-CG1 3.98Å; F785-I797 CarbonylContact O-C 3.58Å; I786-I797 HydrophobicContact CG2-CG1 4.36Å; I797-Q799 WeakPolarHBondContact CG2-O 2.81Å; I797-L801 HydrophobicContact CD1-CD1 4.08Å; I797-L801 HydrophobicContact CG2-CD2 4.26Å
798	C	84.5	Confident	81.6	Confident	48 Å²	48	62.9 Å²	62.9	32%	0.324	31%	0.312	S	S	.	.			trans	-102.4	-16.2	-178.8	-62	0	0	0	0	113.9	F785 R787	F785-C798 PolarHBondContact O-N 2.74Å; R787-C798 WeakPolarHBondContact CB-SG 3.49Å
799	Q	83.4	Confident	80.9	Confident	66 Å²	66	66.9 Å²	66.9	31%	0.308	33%	0.33	S	S	.	.	S	Bend	trans	-137.8	160	-176.2	-61	-172.1	13.2	0	0	112.5	N781 F785 I797	N781-Q799 VanDerWaalsContact O-CD 3.29Å; N781-Q799 PolarHBondContact O-NE2 3.3Å; N781-Q799 PolarHBondContact O-OE1 2.99Å; F785-Q799 HydrophobicContact CB-CB 4.2Å; I797-Q799 WeakPolarHBondContact CG2-O 2.81Å
800	S	81.6	Confident	80.7	Confident	62 Å²	62	66 Å²	66	43%	0.434	32%	0.323	S	S	.	.			trans	-69.2	131.9	177.1	-175.1	0	0	0	0	110.9	K802	S800-K802 VanDerWaalsContact C-N 3.33Å; S800-K802 PolarHBondContact O-N 3.37Å
801	L	78.4	Confident	80.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-80.1	-11.2	-178.4	-53.6	-178.2	0	0	0	113.9	I730 P731 C734 F785 I797 L803 I804 I834	I730-L801 HydrophobicContact CB-CD1 4.41Å; I730-L801 HydrophobicContact CG2-CD1 3.56Å; P731-L801 WeakPolarHBondContact O-CD1 3.4Å; C734-L801 HydrophobicContact CB-CD1 3.71Å; F785-L801 HydrophobicContact CB-CD2 4.45Å; F785-L801 HydrophobicContact CD2-CD2 3.55Å; F785-L801 HydrophobicContact CE2-CD2 4.08Å; F785-L801 HydrophobicContact CG-CD2 4.2Å; I797-L801 HydrophobicContact CD1-CD1 4.08Å; I797-L801 HydrophobicContact CG2-CD2 4.26Å; L801-L803 PolarHBondContact O-N 3.5Å; L801-I804 HydrophobicContact CB-CD1 4.45Å; L801-I804 HydrophobicContact CD2-CD1 3.53Å; L801-I804 PolarHBondContact O-N 2.92Å; L801-I834 HydrophobicContact CB-CD1 4.34Å; L801-I834 HydrophobicContact CD2-CD1 4.43Å
802	K	69.8	Low	80.5	Confident	151 Å²	151	59 Å²	59	66%	0.657	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-58.3	-21.6	-175.6	-73.7	-173	175.3	-175.2	0	115.3	S800	S800-K802 VanDerWaalsContact C-N 3.33Å; S800-K802 PolarHBondContact O-N 3.37Å
803	L	68	Low	80.6	Confident	150 Å²	150	57.1 Å²	57.1	79%	0.785	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-108.6	-0.5	-179.7	-65.2	174.4	0	0	0	112.6	M782 L801	M782-L803 WeakPolarHBondContact CE-O 3.19Å; L801-L803 PolarHBondContact O-N 3.5Å
804	I	72.4	Confident	80.6	Confident	13 Å²	13	57.1 Å²	57.1	7%	0.067	27%	0.272	C	S	.	.	S	Bend	trans	-88.9	125.3	-175.3	-53.7	-176.9	0	0	0	108.6	F785 L801 E806 Y810 I834	F785-I804 HydrophobicContact CB-CD1 3.42Å; F785-I804 VanDerWaalsContact CB-CD1 3.42Å; F785-I804 HydrophobicContact CD1-CD1 3.61Å; F785-I804 HydrophobicContact CD1-CG2 4.37Å; F785-I804 HydrophobicContact CD2-CD1 3.97Å; F785-I804 HydrophobicContact CE1-CD1 4.33Å; F785-I804 HydrophobicContact CE1-CG2 4.29Å; F785-I804 HydrophobicContact CG-CD1 3.4Å; L801-I804 HydrophobicContact CB-CD1 4.45Å; L801-I804 HydrophobicContact CD2-CD1 3.53Å; L801-I804 PolarHBondContact O-N 2.92Å; I804-E806 PolarHBondContact O-N 2.97Å; I804-Y810 HydrophobicContact CG2-CE2 3.92Å; I804-Y810 WeakPolarHBondContact CG2-OH 3.41Å; I804-I834 HydrophobicContact CB-CD1 3.36Å; I804-I834 HydrophobicContact CD1-CD1 4.27Å; I804-I834 HydrophobicContact CG1-CD1 4.38Å; I804-I834 HydrophobicContact CG2-CD1 3.27Å
805	P	68.1	Low	80.5	Confident	48 Å²	48	55.4 Å²	55.4	31%	0.312	26%	0.264	S	S	.	.			trans	-66.2	130.3	-172.8	20.1	-28	0	0	0	113.1	Y808 Y810	P805-Y808 HydrophobicContact CB-CD2 3.85Å; P805-Y808 HydrophobicContact CB-CE2 4.14Å; P805-Y808 HydrophobicContact CG-CD2 3.77Å; P805-Y808 HydrophobicContact CG-CE2 4.08Å; P805-Y810 PolarHBondContact O-OH 2.71Å
806	E	63.7	Low	80.5	Confident	53 Å²	53	55.4 Å²	55.4	25%	0.248	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.5	-174	64.6	-150.2	-164.3	0	0	115.4	I804 Y808 I836	I804-E806 PolarHBondContact O-N 2.97Å; E806-Y808 VanDerWaalsContact C-N 3.28Å; E806-Y808 PolarHBondContact O-N 2.55Å; E806-I836 VanDerWaalsContact OE2-CD1 3.26Å; E806-I836 WeakPolarHBondContact OE2-CD1 3.33Å; E806-I836 WeakPolarHBondContact OE2-CG1 3.46Å
807	Y	66.7	Low	80.6	Confident	191 Å²	191	56.3 Å²	56.3	75%	0.749	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.9	-176	-49.7	-77.8	0	0	0	113.9
808	Y	73.5	Confident	80.7	Confident	147 Å²	147	56.5 Å²	56.5	58%	0.576	27%	0.268	S	S	*	.			trans	-102.9	135.1	-178.9	-68.5	-79.8	0	0	0	111.8	P805 E806	P805-Y808 HydrophobicContact CB-CD2 3.85Å; P805-Y808 HydrophobicContact CB-CE2 4.14Å; P805-Y808 HydrophobicContact CG-CD2 3.77Å; P805-Y808 HydrophobicContact CG-CE2 4.08Å; E806-Y808 VanDerWaalsContact C-N 3.28Å; E806-Y808 PolarHBondContact O-N 2.55Å
809	K	78	Confident	80.9	Confident	88 Å²	88	58.1 Å²	58.1	38%	0.383	27%	0.271	S	S	.	.			trans	-90.3	119	163.5	-73.4	-172.8	172.1	-173.3	0	108.6	E727 N764 Q833	E727-K809 IonicContact OE1-NZ 3.6Å; E727-K809 PolarHBondContact OE1-NZ 3.36Å; E727-K809 IonicContact OE2-NZ 2.73Å; N764-K809 PolarHBondContact ND2-O 2.9Å; K809-Q833 HydrophobicContact CG-CB 4.36Å
810	Y	85.3	Confident	81	Confident	26 Å²	26	55.2 Å²	55.2	10%	0.102	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.8	178.5	-60.1	-89.2	0	0	0	109.6	F785 I804 P805 S831 L832	F785-Y810 AromaticContact CE1-CD1 3.84Å; F785-Y810 HydrophobicContact CE1-CD1 3.84Å; F785-Y810 AromaticContact CE1-CD2 3.89Å; F785-Y810 HydrophobicContact CE1-CD2 3.89Å; F785-Y810 HydrophobicContact CE1-CE1 4.05Å; F785-Y810 HydrophobicContact CE1-CE2 4.11Å; F785-Y810 AromaticContact CE1-CG 3.76Å; F785-Y810 HydrophobicContact CE1-CG 3.76Å; F785-Y810 AromaticContact CZ-CD2 3.86Å; F785-Y810 HydrophobicContact CZ-CD2 3.86Å; F785-Y810 HydrophobicContact CZ-CE2 4.34Å; F785-Y810 AromaticContact CZ-CG 3.98Å; F785-Y810 HydrophobicContact CZ-CG 3.98Å; I804-Y810 HydrophobicContact CG2-CE2 3.92Å; I804-Y810 WeakPolarHBondContact CG2-OH 3.41Å; P805-Y810 PolarHBondContact O-OH 2.71Å; Y810-S831 CarbonylContact O-C 3.47Å; Y810-S831 WeakPolarHBondContact O-CA 3.13Å; Y810-L832 PolarHBondContact N-O 2.79Å; Y810-L832 PolarHBondContact O-N 3.49Å
811	I	85.2	Confident	80.8	Confident	50 Å²	50	60 Å²	60	26%	0.256	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.3	-176.4	-57	170.9	0	0	0	110.1	I763 N764	I763-I811 HydrophobicContact CB-CB 4.48Å; I763-I811 HydrophobicContact CB-CG2 4.15Å; I763-I811 HydrophobicContact CD1-CG2 3.91Å; I763-I811 PolarHBondContact N-O 2.91Å; N764-I811 PolarHBondContact ND2-N 3.45Å
812	Y	88.8	Confident	81.1	Confident	3 Å²	3	65 Å²	65	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.2	178.6	-65.2	-86.3	0	0	0	110.8	L760 R761 I783 I786 H829 F830 L832	L760-Y812 HydrophobicContact CD1-CD1 4.19Å; L760-Y812 HydrophobicContact CD1-CG 4.33Å; L760-Y812 HydrophobicContact CD2-CD1 4.23Å; L760-Y812 HydrophobicContact CG-CD1 4.16Å; R761-Y812 CarbonylContact O-C 3.59Å; R761-Y812 WeakPolarHBondContact O-CA 3.35Å; I783-Y812 PolarHBondContact O-OH 3.45Å; I786-Y812 HydrophobicContact CD1-CD1 3.95Å; I786-Y812 HydrophobicContact CD1-CD2 3.79Å; I786-Y812 HydrophobicContact CD1-CE1 3.74Å; I786-Y812 HydrophobicContact CD1-CE2 3.58Å; I786-Y812 HydrophobicContact CD1-CG 3.97Å; I786-Y812 HydrophobicContact CG1-CD1 4.49Å; I786-Y812 HydrophobicContact CG1-CE1 3.82Å; I786-Y812 HydrophobicContact CG1-CE2 4.01Å; Y812-H829 WeakPolarHBondContact O-CA 3.43Å; Y812-F830 VanDerWaalsContact CB-CZ 3.45Å; Y812-F830 AromaticContact CD2-CE2 3.98Å; Y812-F830 HydrophobicContact CD2-CE2 3.98Å; Y812-F830 AromaticContact CD2-CZ 3.91Å; Y812-F830 HydrophobicContact CD2-CZ 3.91Å; Y812-F830 HydrophobicContact CG-CE1 4.25Å; Y812-F830 HydrophobicContact CG-CE2 4.36Å; Y812-F830 AromaticContact CG-CZ 3.83Å; Y812-F830 HydrophobicContact CG-CZ 3.83Å; Y812-F830 PolarHBondContact N-O 3.31Å; Y812-F830 PolarHBondContact O-N 3.06Å; Y812-F830 VanDerWaalsContact O-O 3.07Å; Y812-L832 HydrophobicContact CD2-CD1 4.34Å; Y812-L832 HydrophobicContact CD2-CG 4.32Å; Y812-L832 HydrophobicContact CE2-CD1 3.97Å; Y812-L832 HydrophobicContact CE2-CG 4.27Å
813	E	89.5	Confident	81.9	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.033	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.1	171.7	-177.1	-168.6	-121.7	0	0	108.9	R761 I763 I815 R827 L828 H829	R761-E813 HydrophobicContact CB-CB 4.48Å; R761-E813 IonicContact CZ-OE2 3.61Å; R761-E813 PolarHBondContact N-O 2.76Å; R761-E813 IonicContact NE-OE2 2.61Å; R761-E813 PolarHBondContact NE-OE2 2.9Å; R761-E813 IonicContact NH2-OE1 2.66Å; R761-E813 PolarHBondContact NH2-OE1 2.88Å; R761-E813 VanDerWaalsContact NH2-OE1 3.09Å; R761-E813 IonicContact NH2-OE2 3.86Å; R761-E813 PolarHBondContact NH2-OE2 2.95Å; R761-E813 PolarHBondContact O-N 3.43Å; I763-E813 HydrophobicContact CD1-CB 3.77Å; I763-E813 HydrophobicContact CG1-CB 4.19Å; E813-I815 HydrophobicContact CG-CG1 4.06Å; E813-I815 WeakPolarHBondContact OE2-CD1 3.37Å; E813-I815 WeakPolarHBondContact OE2-CG1 3.47Å; E813-R827 HydrophobicContact CG-CB 4.38Å; E813-R827 WeakPolarHBondContact OE1-CD 3.41Å; E813-L828 CarbonylContact C-O 3.51Å; E813-L828 WeakPolarHBondContact CA-O 3.48Å; E813-H829 IonicContact OE1-CE1 3.94Å; E813-H829 PolarHBondContact OE1-CE1 3.4Å; E813-H829 IonicContact OE1-ND1 2.96Å; E813-H829 IonicContact OE1-NE2 3.3Å
814	V	91.2	Very high	82.8	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.3	168.9	-176.6	0	0	0	0	107.5	F674 F743 Y758 E759 L760 I788 I795 V816 R827 L828 F830	F674-V814 HydrophobicContact CE1-CG1 4.17Å; F674-V814 HydrophobicContact CZ-CB 4.44Å; F674-V814 HydrophobicContact CZ-CG1 4.18Å; F743-V814 HydrophobicContact CD2-CG1 4.42Å; F743-V814 HydrophobicContact CD2-CG2 3.92Å; F743-V814 HydrophobicContact CE2-CG2 3.7Å; F743-V814 HydrophobicContact CZ-CG2 4.08Å; Y758-V814 HydrophobicContact CD1-CG1 4.31Å; E759-V814 WeakPolarHBondContact O-CA 3.43Å; L760-V814 HydrophobicContact CD1-CG2 3.98Å; I788-V814 HydrophobicContact CD1-CG1 3.8Å; I788-V814 HydrophobicContact CD1-CG2 4.3Å; I795-V814 HydrophobicContact CD1-CG2 4.5Å; V814-V816 HydrophobicContact CG1-CG2 4.05Å; V814-R827 CarbonylContact O-C 3.53Å; V814-R827 WeakPolarHBondContact O-CA 3.29Å; V814-L828 PolarHBondContact N-O 3.44Å; V814-L828 PolarHBondContact O-N 3.06Å; V814-F830 HydrophobicContact CG2-CD1 3.87Å; V814-F830 HydrophobicContact CG2-CE1 3.58Å
815	I	90.9	Very high	83.6	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.6	175.5	-53	176.3	0	0	0	106.4	E759 E813 V825 R827	E759-I815 HydrophobicContact CB-CB 4.31Å; E759-I815 PolarHBondContact N-O 2.89Å; E759-I815 PolarHBondContact O-N 2.78Å; E813-I815 HydrophobicContact CG-CG1 4.06Å; E813-I815 WeakPolarHBondContact OE2-CD1 3.37Å; E813-I815 WeakPolarHBondContact OE2-CG1 3.47Å; I815-V825 HydrophobicContact CG2-CG1 3.34Å; I815-R827 HydrophobicContact CG1-CG 4.2Å; I815-R827 HydrophobicContact CG2-CG 4.28Å
816	V	92.6	Very high	84.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.9	174.1	-175.6	0	0	0	0	107.9	P672 F674 V745 L756 Y758 V814 V825 S826	P672-V816 HydrophobicContact CB-CG1 4.31Å; F674-V816 HydrophobicContact CE1-CG2 3.71Å; F674-V816 HydrophobicContact CZ-CB 4.23Å; F674-V816 HydrophobicContact CZ-CG2 3.59Å; V745-V816 HydrophobicContact CG1-CG1 4.26Å; V745-V816 HydrophobicContact CG2-CB 4.46Å; V745-V816 HydrophobicContact CG2-CG1 4.27Å; V745-V816 HydrophobicContact CG2-CG2 4.11Å; L756-V816 HydrophobicContact CB-CG1 4.15Å; L756-V816 HydrophobicContact CD2-CG1 3.97Å; L756-V816 HydrophobicContact CG-CG1 4.45Å; Y758-V816 HydrophobicContact CD1-CB 4.45Å; Y758-V816 HydrophobicContact CD1-CG1 4.43Å; Y758-V816 HydrophobicContact CD1-CG2 3.26Å; Y758-V816 HydrophobicContact CE1-CB 4.49Å; Y758-V816 HydrophobicContact CE1-CG1 4.24Å; Y758-V816 HydrophobicContact CE1-CG2 3.42Å; Y758-V816 VanDerWaalsContact CE1-CG2 3.42Å; Y758-V816 HydrophobicContact CG-CG2 4.06Å; V814-V816 HydrophobicContact CG1-CG2 4.05Å; V816-V825 CarbonylContact O-C 3.52Å; V816-V825 VanDerWaalsContact O-CA 3.31Å; V816-V825 WeakPolarHBondContact O-CA 3.43Å; V816-V825 WeakPolarHBondContact O-CG1 3.35Å; V816-S826 PolarHBondContact N-O 2.81Å; V816-S826 PolarHBondContact O-N 2.62Å
817	K	92	Very high	85.8	Confident	64 Å²	64	59.9 Å²	59.9	28%	0.278	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.3	175.1	63.7	-168.3	176.8	-159.9	0	109.4	N757 E759 K824 V825	N757-K817 HydrophobicContact CB-CG 4.09Å; N757-K817 PolarHBondContact N-O 3.07Å; N757-K817 PolarHBondContact O-N 2.81Å; N757-K817 VanDerWaalsContact O-N 3.11Å; E759-K817 IonicContact OE2-NZ 3.78Å; K817-K824 VanDerWaalsContact CA-O 3.27Å; K817-K824 WeakPolarHBondContact CA-O 3.42Å; K817-V825 HydrophobicContact CB-CB 4.45Å; K817-V825 HydrophobicContact CB-CG1 4.38Å; K817-V825 HydrophobicContact CB-CG2 3.77Å
818	D	91.3	Very high	86.8	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	25%	0.248	C	C	.	.			trans	-70.5	174.5	162.8	57.9	69.4	0	0	0	111.2	N668 P672 N753 M755 G820 S823 K824	N668-D818 PolarHBondContact ND2-OD1 3.29Å; N668-D818 PolarHBondContact OD1-OD1 2.88Å; P672-D818 WeakPolarHBondContact CD-OD2 3.37Å; P672-D818 HydrophobicContact CG-CB 4.06Å; N753-D818 WeakPolarHBondContact O-CB 3.41Å; M755-D818 CarbonylContact O-C 3.46Å; M755-D818 VanDerWaalsContact O-CA 3.31Å; M755-D818 WeakPolarHBondContact O-CA 3.14Å; D818-G820 WeakPolarHBondContact OD1-CA 3.38Å; D818-G820 PolarHBondContact OD1-N 3.41Å; D818-S823 WeakPolarHBondContact O-CB 3.33Å; D818-S823 WeakPolarHBondContact OD1-CA 3.44Å; D818-K824 PolarHBondContact N-O 2.91Å; D818-K824 PolarHBondContact OD1-N 2.95Å; D818-K824 VanDerWaalsContact OD1-N 3.13Å; D818-K824 WeakPolarHBondContact OD2-CA 3.46Å; D818-K824 WeakPolarHBondContact OD2-CB 3.49Å; D818-K824 PolarHBondContact OD2-N 3.2Å
819	Q	88.4	Confident	87.4	Confident	83 Å²	83	47.1 Å²	47.1	39%	0.388	24%	0.235	S	C	.	.	S	Bend	trans	-102.6	11.2	176	-66.4	177.8	18.5	0	0	112.7	M752 M755	M752-Q819 HydrophobicContact CE-CB 4.08Å; M752-Q819 CarbonylContact O-C 3.6Å; M752-Q819 WeakPolarHBondContact O-CB 3.35Å; M752-Q819 PolarHBondContact O-N 3.06Å; M755-Q819 HydrophobicContact CB-CB 4.2Å; M755-Q819 HydrophobicContact CB-CG 4.14Å; M755-Q819 WeakPolarHBondContact O-CG 3.39Å; M755-Q819 PolarHBondContact O-N 3.33Å
820	G	84.7	Confident	88	Confident	5 Å²	5	43 Å²	43	5%	0.052	22%	0.217	C	C	.	.	S	Bend	trans	-71.5	171.1	174.7	0	0	0	0	0	112.7	N753 D818 P822 S823	N753-G820 WeakPolarHBondContact OD1-CA 3.38Å; D818-G820 WeakPolarHBondContact OD1-CA 3.38Å; D818-G820 PolarHBondContact OD1-N 3.41Å; G820-P822 CarbonylContact O-C 3.5Å; G820-S823 WeakPolarHBondContact O-CA 3.17Å; G820-S823 WeakPolarHBondContact O-CB 3.44Å; G820-S823 PolarHBondContact O-N 3.03Å
821	I	78.6	Confident	88.1	Confident	163 Å²	163	41.9 Å²	41.9	84%	0.836	21%	0.213	S	C	*	.	S	Bend	trans	-128.4	115.4	-178	-58.7	169.2	0	0	0	109.3
822	P	83.8	Confident	88.2	Confident	103 Å²	103	39.6 Å²	39.6	67%	0.669	20%	0.202	S	C	*	.	S	Bend	cis	-69.6	140	-6.5	31	-34	0	0	0	111.1	N668 G820 K824	N668-P822 PolarHBondContact ND2-O 3.15Å; G820-P822 CarbonylContact O-C 3.5Å; P822-K824 PolarHBondContact O-N 2.96Å
823	S	86.5	Confident	88	Confident	60 Å²	60	42.2 Å²	42.2	42%	0.42	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-65.6	130.8	-179.4	60.9	0	0	0	0	110.7	D818 G820	D818-S823 WeakPolarHBondContact O-CB 3.33Å; D818-S823 WeakPolarHBondContact OD1-CA 3.44Å; G820-S823 WeakPolarHBondContact O-CA 3.17Å; G820-S823 WeakPolarHBondContact O-CB 3.44Å; G820-S823 PolarHBondContact O-N 3.03Å
824	K	88.5	Confident	87.5	Confident	74 Å²	74	42.3 Å²	42.3	32%	0.322	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-88.7	154.9	171.5	-62.5	-175.4	164.9	-152.8	0	109.6	N668 D669 N670 E671 K817 D818 P822	N668-K824 WeakPolarHBondContact O-CE 3.04Å; D669-K824 PolarHBondContact O-NZ 3.03Å; N670-K824 WeakPolarHBondContact O-CD 3.41Å; E671-K824 HydrophobicContact CB-CB 3.82Å; E671-K824 HydrophobicContact CB-CD 4.2Å; K817-K824 VanDerWaalsContact CA-O 3.27Å; K817-K824 WeakPolarHBondContact CA-O 3.42Å; D818-K824 PolarHBondContact N-O 2.91Å; D818-K824 PolarHBondContact OD1-N 2.95Å; D818-K824 VanDerWaalsContact OD1-N 3.13Å; D818-K824 WeakPolarHBondContact OD2-CA 3.46Å; D818-K824 WeakPolarHBondContact OD2-CB 3.49Å; D818-K824 PolarHBondContact OD2-N 3.2Å; P822-K824 PolarHBondContact O-N 2.96Å
825	V	89.2	Confident	86.6	Confident	39 Å²	39	46.1 Å²	46.1	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	125.4	-166.7	-172.6	0	0	0	0	111	I815 V816 K817 R827	I815-V825 HydrophobicContact CG2-CG1 3.34Å; V816-V825 CarbonylContact O-C 3.52Å; V816-V825 VanDerWaalsContact O-CA 3.31Å; V816-V825 WeakPolarHBondContact O-CA 3.43Å; V816-V825 WeakPolarHBondContact O-CG1 3.35Å; K817-V825 HydrophobicContact CB-CB 4.45Å; K817-V825 HydrophobicContact CB-CG1 4.38Å; K817-V825 HydrophobicContact CB-CG2 3.77Å; V825-R827 HydrophobicContact CG1-CG 4.47Å
826	S	88.9	Confident	85.3	Confident	5 Å²	5	50 Å²	50	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.6	171	-70.3	0	0	0	0	111.4	P672 V816	P672-S826 WeakPolarHBondContact O-CB 2.98Å; P672-S826 PolarHBondContact O-OG 3.02Å; V816-S826 PolarHBondContact N-O 2.81Å; V816-S826 PolarHBondContact O-N 2.62Å
827	R	87.7	Confident	83.9	Confident	130 Å²	130	51.4 Å²	51.4	49%	0.491	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.7	-176.6	-61	-177.3	-179.1	75.5	3.1	111.2	E813 V814 I815 V825	E813-R827 HydrophobicContact CG-CB 4.38Å; E813-R827 WeakPolarHBondContact OE1-CD 3.41Å; V814-R827 CarbonylContact O-C 3.53Å; V814-R827 WeakPolarHBondContact O-CA 3.29Å; I815-R827 HydrophobicContact CG1-CG 4.2Å; I815-R827 HydrophobicContact CG2-CG 4.28Å; V825-R827 HydrophobicContact CG1-CG 4.47Å
828	L	87.4	Confident	82.5	Confident	3 Å²	3	49 Å²	49	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126.2	179.7	-179.4	63.3	0	0	0	110.9	F674 P677 L718 L726 F743 E813 V814	F674-L828 HydrophobicContact CD1-CB 4.4Å; F674-L828 HydrophobicContact CD1-CD2 3.89Å; F674-L828 HydrophobicContact CD2-CB 3.95Å; F674-L828 HydrophobicContact CE1-CB 4.06Å; F674-L828 HydrophobicContact CE1-CD2 4.12Å; F674-L828 HydrophobicContact CE2-CB 3.56Å; F674-L828 HydrophobicContact CG-CB 4.34Å; F674-L828 HydrophobicContact CG-CD2 4.09Å; F674-L828 HydrophobicContact CZ-CB 3.61Å; P677-L828 HydrophobicContact CG-CD2 4.35Å; L718-L828 HydrophobicContact CD1-CD1 3.1Å; L718-L828 HydrophobicContact CD2-CD1 3.68Å; L718-L828 HydrophobicContact CG-CD1 3.95Å; L726-L828 HydrophobicContact CD1-CD1 3.71Å; L726-L828 HydrophobicContact CD1-CD2 4.34Å; L726-L828 HydrophobicContact CD1-CG 4.2Å; F743-L828 HydrophobicContact CD1-CD2 3.42Å; F743-L828 VanDerWaalsContact CD1-CD2 3.42Å; F743-L828 HydrophobicContact CE1-CD2 3.38Å; F743-L828 HydrophobicContact CE1-CG 4.37Å; E813-L828 CarbonylContact C-O 3.51Å; E813-L828 WeakPolarHBondContact CA-O 3.48Å; V814-L828 PolarHBondContact N-O 3.44Å; V814-L828 PolarHBondContact O-N 3.06Å
829	H	87.2	Confident	81.3	Confident	68 Å²	68	51 Å²	51	32%	0.315	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.7	176.7	-60.1	-65.2	0	0	0	111.7	P725 L726 I763 Y812 E813	P725-H829 VanDerWaalsContact CA-O 3.27Å; P725-H829 WeakPolarHBondContact CA-O 3.18Å; P725-H829 HydrophobicContact CB-CB 4Å; L726-H829 PolarHBondContact N-O 2.97Å; I763-H829 WeakPolarHBondContact CD1-ND1 3.26Å; Y812-H829 WeakPolarHBondContact O-CA 3.43Å; E813-H829 IonicContact OE1-CE1 3.94Å; E813-H829 PolarHBondContact OE1-CE1 3.4Å; E813-H829 IonicContact OE1-ND1 2.96Å; E813-H829 IonicContact OE1-NE2 3.3Å
830	F	89.7	Confident	80.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.7	170.9	77.6	-82.6	0	0	0	110.9	L726 I728 L741 F743 L760 I786 I795 Y812 V814 L832	L726-F830 HydrophobicContact CB-CB 3.79Å; L726-F830 CarbonylContact O-C 3.51Å; L726-F830 VanDerWaalsContact O-CA 3.31Å; L726-F830 WeakPolarHBondContact O-CA 3.39Å; L726-F830 WeakPolarHBondContact O-CB 3.47Å; I728-F830 HydrophobicContact CD1-CB 3.97Å; I728-F830 HydrophobicContact CD1-CD2 3.7Å; I728-F830 HydrophobicContact CD1-CG 4.19Å; L741-F830 HydrophobicContact CD1-CD2 4.37Å; L741-F830 HydrophobicContact CD1-CE2 4.17Å; F743-F830 HydrophobicContact CE2-CD1 4.46Å; F743-F830 HydrophobicContact CE2-CE1 4.42Å; F743-F830 AromaticContact CZ-CD1 3.98Å; F743-F830 HydrophobicContact CZ-CD1 3.98Å; F743-F830 HydrophobicContact CZ-CE1 4.38Å; F743-F830 HydrophobicContact CZ-CG 4.27Å; L760-F830 HydrophobicContact CD1-CE1 3.64Å; L760-F830 HydrophobicContact CD1-CZ 3.94Å; I786-F830 HydrophobicContact CD1-CE2 4.3Å; I786-F830 HydrophobicContact CD1-CZ 3.89Å; I795-F830 HydrophobicContact CD1-CE1 3.55Å; I795-F830 HydrophobicContact CD1-CE2 3.95Å; I795-F830 HydrophobicContact CD1-CZ 3.17Å; Y812-F830 VanDerWaalsContact CB-CZ 3.45Å; Y812-F830 AromaticContact CD2-CE2 3.98Å; Y812-F830 HydrophobicContact CD2-CE2 3.98Å; Y812-F830 AromaticContact CD2-CZ 3.91Å; Y812-F830 HydrophobicContact CD2-CZ 3.91Å; Y812-F830 HydrophobicContact CG-CE1 4.25Å; Y812-F830 HydrophobicContact CG-CE2 4.36Å; Y812-F830 AromaticContact CG-CZ 3.83Å; Y812-F830 HydrophobicContact CG-CZ 3.83Å; Y812-F830 PolarHBondContact N-O 3.31Å; Y812-F830 PolarHBondContact O-N 3.06Å; Y812-F830 VanDerWaalsContact O-O 3.07Å; V814-F830 HydrophobicContact CG2-CD1 3.87Å; V814-F830 HydrophobicContact CG2-CE1 3.58Å; F830-L832 HydrophobicContact CD2-CD2 3.83Å; F830-L832 HydrophobicContact CD2-CG 4.09Å; F830-L832 HydrophobicContact CE2-CD1 4Å; F830-L832 HydrophobicContact CE2-CD2 3.66Å; F830-L832 HydrophobicContact CE2-CG 3.65Å
831	S	87.4	Confident	79.8	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.028	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.2	178.5	69.4	0	0	0	0	110.9	L726 I728 Y810	L726-S831 PolarHBondContact O-N 3.21Å; I728-S831 PolarHBondContact N-O 3.33Å; Y810-S831 CarbonylContact O-C 3.47Å; Y810-S831 WeakPolarHBondContact O-CA 3.13Å
832	L	88.2	Confident	79.9	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.8	174.9	-60.4	-175.9	0	0	0	111	I728 I730 I740 L741 F785 I786 Y810 Y812 F830	I728-L832 HydrophobicContact CB-CD2 3.7Å; I728-L832 HydrophobicContact CD1-CD2 4.31Å; I728-L832 HydrophobicContact CG2-CD2 3.86Å; I728-L832 WeakPolarHBondContact O-CA 3.5Å; I730-L832 HydrophobicContact CD1-CB 4.31Å; I730-L832 HydrophobicContact CD1-CD1 3.72Å; I730-L832 HydrophobicContact CD1-CD2 3.71Å; I730-L832 HydrophobicContact CD1-CG 4.12Å; I730-L832 HydrophobicContact CG1-CD2 4.3Å; I740-L832 HydrophobicContact CD1-CD1 4.27Å; L741-L832 HydrophobicContact CD1-CD2 4.14Å; F785-L832 HydrophobicContact CE2-CD1 3.95Å; F785-L832 HydrophobicContact CZ-CB 4.48Å; F785-L832 HydrophobicContact CZ-CD1 4.19Å; I786-L832 HydrophobicContact CD1-CD1 3.76Å; I786-L832 HydrophobicContact CG1-CD1 4.37Å; I786-L832 HydrophobicContact CG2-CD1 3.94Å; Y810-L832 PolarHBondContact N-O 2.79Å; Y810-L832 PolarHBondContact O-N 3.49Å; Y812-L832 HydrophobicContact CD2-CD1 4.34Å; Y812-L832 HydrophobicContact CD2-CG 4.32Å; Y812-L832 HydrophobicContact CE2-CD1 3.97Å; Y812-L832 HydrophobicContact CE2-CG 4.27Å; F830-L832 HydrophobicContact CD2-CD2 3.83Å; F830-L832 HydrophobicContact CD2-CG 4.09Å; F830-L832 HydrophobicContact CE2-CD1 4Å; F830-L832 HydrophobicContact CE2-CD2 3.66Å; F830-L832 HydrophobicContact CE2-CG 3.65Å
833	Q	83.6	Confident	79.7	Confident	59 Å²	59	45.3 Å²	45.3	28%	0.276	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.2	170	-173	173.5	-4.1	0	0	110.4	I728 L729 I730 K809	I728-Q833 PolarHBondContact O-N 2.86Å; L729-Q833 CarbonylContact C-O 3.44Å; L729-Q833 WeakPolarHBondContact CA-O 3.36Å; L729-Q833 HydrophobicContact CD1-CB 4.26Å; I730-Q833 PolarHBondContact N-O 2.78Å; K809-Q833 HydrophobicContact CG-CB 4.36Å
834	I	78.8	Confident	79.5	Confident	9 Å²	9	42.7 Å²	42.7	5%	0.046	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.4	-177.7	-59.3	175.7	0	0	0	110.4	I730 E732 L801 I804	I730-I834 CarbonylContact O-C 3.48Å; I730-I834 VanDerWaalsContact O-CA 3.26Å; I730-I834 WeakPolarHBondContact O-CA 2.82Å; E732-I834 HydrophobicContact CB-CG2 3.9Å; L801-I834 HydrophobicContact CB-CD1 4.34Å; L801-I834 HydrophobicContact CD2-CD1 4.43Å; I804-I834 HydrophobicContact CB-CD1 3.36Å; I804-I834 HydrophobicContact CD1-CD1 4.27Å; I804-I834 HydrophobicContact CG1-CD1 4.38Å; I804-I834 HydrophobicContact CG2-CD1 3.27Å
835	L	73.3	Confident	79.1	Confident	79 Å²	79	44.5 Å²	44.5	41%	0.414	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.6	178.4	179.6	71.8	0	0	0	111.5	L729 I730 P731 E732 V837	L729-L835 HydrophobicContact CD2-CB 3.46Å; L729-L835 VanDerWaalsContact CD2-CB 3.46Å; L729-L835 HydrophobicContact CD2-CD1 4.04Å; L729-L835 HydrophobicContact CD2-CD2 3.43Å; L729-L835 VanDerWaalsContact CD2-CD2 3.43Å; L729-L835 HydrophobicContact CD2-CG 3.78Å; L729-L835 HydrophobicContact CG-CB 3.94Å; I730-L835 PolarHBondContact O-N 3.2Å; P731-L835 WeakPolarHBondContact CA-O 3.32Å; E732-L835 PolarHBondContact N-O 2.84Å; L835-V837 HydrophobicContact CD2-CG2 4.41Å; L835-V837 HydrophobicContact CG-CG2 4.49Å
836	I	64.6	Low	78.6	Confident	97 Å²	97	43.3 Å²	43.3	50%	0.497	21%	0.213	S	C	.	.			trans	-74.2	133.4	167.8	-53.4	175.5	0	0	0	109.5	E806	E806-I836 VanDerWaalsContact OE2-CD1 3.26Å; E806-I836 WeakPolarHBondContact OE2-CD1 3.33Å; E806-I836 WeakPolarHBondContact OE2-CG1 3.46Å
837	V	61.7	Low	78	Confident	30 Å²	30	46.7 Å²	46.7	18%	0.182	23%	0.231	C	C	.	.			trans	-120.2	126.8	-174	178.9	0	0	0	0	110.9	P731 L835 S839	P731-V837 HydrophobicContact CB-CG2 3.35Å; L835-V837 HydrophobicContact CD2-CG2 4.41Å; L835-V837 HydrophobicContact CG-CG2 4.49Å; V837-S839 PolarHBondContact O-N 3.24Å; V837-S839 PolarHBondContact O-OG 2.81Å
838	N	64.2	Low	77	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.07	23%	0.233	C	C	.	.			trans	-46	123.1	161.1	-172.5	18.9	0	0	0	107.3	D891 A895 D953 P957 Y959	N838-D891 PolarHBondContact OD1-OD2 2.82Å; N838-A895 WeakPolarHBondContact OD1-CB 3.13Å; N838-D953 PolarHBondContact ND2-OD2 3.25Å; N838-P957 PolarHBondContact ND2-O 3.05Å; N838-Y959 HydrophobicContact CB-CD2 4.24Å; N838-Y959 HydrophobicContact CB-CE2 3.98Å; N838-Y959 VanDerWaalsContact CG-CD2 3.48Å; N838-Y959 WeakPolarHBondContact ND2-CD2 3.34Å; N838-Y959 WeakPolarHBondContact O-CE2 3.43Å; N838-Y959 PolarHBondContact O-OH 3.26Å
839	S	65.7	Low	75.8	Confident	45 Å²	45	47.4 Å²	47.4	32%	0.315	24%	0.239	S	C	.	.			trans	-119.1	-15	-159.3	-76.3	0	0	0	0	115.4	V837 D891	V837-S839 PolarHBondContact O-N 3.24Å; V837-S839 PolarHBondContact O-OG 2.81Å; S839-D891 PolarHBondContact N-OD2 2.8Å; S839-D891 VanDerWaalsContact N-OD2 3.08Å
840	F	68.1	Low	74.1	Confident	115 Å²	115	51.5 Å²	51.5	50%	0.504	26%	0.264	S	S	.	.			trans	-138.1	126.5	-174.4	-60.7	-72.8	0	0	0	112	P890 D891	F840-P890 HydrophobicContact CB-CG 3.5Å; F840-P890 VanDerWaalsContact CB-CG 3.5Å; F840-P890 HydrophobicContact CD2-CG 4.21Å; F840-P890 HydrophobicContact CG-CG 3.87Å; F840-D891 WeakPolarHBondContact CA-OD2 3.2Å; F840-D891 WeakPolarHBondContact CB-OD2 3.29Å; F840-D891 WeakPolarHBondContact CD2-OD1 3.39Å; F840-D891 PolarHBondContact N-OD2 3.01Å
841	P	73.7	Confident	72.4	Confident	55 Å²	55	60.1 Å²	60.1	36%	0.357	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-75.4	155.8	173.9	31.2	-35.2	0	0	0	112.6	Y959	P841-Y959 HydrophobicContact CB-CG 4.44Å
842	P	79.7	Confident	70.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.3	138.6	179.2	25.3	-33.8	0	0	0	112.2	Y888 D889 I898 I951 D953 T961	P842-Y888 CarbonylContact C-O 3.37Å; P842-Y888 WeakPolarHBondContact CA-O 3.18Å; P842-D889 VanDerWaalsContact CA-OD2 3.31Å; P842-D889 WeakPolarHBondContact CA-OD2 3.5Å; P842-D889 HydrophobicContact CB-CB 3.98Å; P842-D889 WeakPolarHBondContact CB-OD2 3.25Å; P842-D889 VanDerWaalsContact CD-OD2 3.25Å; P842-D889 WeakPolarHBondContact CD-OD2 3.46Å; P842-D889 VanDerWaalsContact N-OD2 3.14Å; P842-I898 HydrophobicContact CB-CG2 3.55Å; P842-I898 HydrophobicContact CG-CG2 4.34Å; P842-I951 HydrophobicContact CB-CG2 3.88Å; P842-I951 HydrophobicContact CG-CB 4.47Å; P842-I951 HydrophobicContact CG-CG2 3.9Å; P842-I951 VanDerWaalsContact CG-O 3.32Å; P842-I951 WeakPolarHBondContact CG-O 3.37Å; P842-D953 HydrophobicContact CG-CB 4.41Å; P842-T961 WeakPolarHBondContact O-CB 3.16Å; P842-T961 PolarHBondContact O-OG1 2.87Å
843	E	80.4	Confident	69.1	Low	66 Å²	66	72.2 Å²	72.2	31%	0.308	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	155	176.3	-60.7	-167.5	169.5	0	0	112.7	G887 Y888	E843-G887 CarbonylContact O-C 3.47Å; E843-G887 WeakPolarHBondContact O-CA 3.48Å; E843-Y888 HydrophobicContact CB-CD1 4.39Å; E843-Y888 HydrophobicContact CB-CD2 4.18Å; E843-Y888 HydrophobicContact CB-CE1 3.98Å; E843-Y888 HydrophobicContact CB-CE2 3.71Å; E843-Y888 HydrophobicContact CG-CE2 4.04Å; E843-Y888 PolarHBondContact N-O 3.48Å; E843-Y888 PolarHBondContact O-N 2.86Å; E843-Y888 WeakPolarHBondContact OE2-CE2 3.27Å; E843-Y888 PolarHBondContact OE2-OH 3.23Å
844	V	81.2	Confident	68	Low	4 Å²	4	71 Å²	71	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.3	-171.7	59.7	0	0	0	0	115.2	K866 I886 I951 T961 I963	V844-K866 HydrophobicContact CG1-CD 4.45Å; V844-K866 WeakPolarHBondContact O-CD 3.15Å; V844-K866 WeakPolarHBondContact O-CE 3.31Å; V844-K866 PolarHBondContact O-NZ 2.84Å; V844-I886 CarbonylContact C-O 3.38Å; V844-I886 VanDerWaalsContact CA-O 3.29Å; V844-I886 WeakPolarHBondContact CA-O 3.38Å; V844-I886 WeakPolarHBondContact CG2-O 3.45Å; V844-I951 HydrophobicContact CB-CD1 3.23Å; V844-I951 HydrophobicContact CG1-CD1 3.97Å; V844-I951 HydrophobicContact CG2-CD1 2.96Å; V844-I951 HydrophobicContact CG2-CG1 4.43Å; V844-T961 HydrophobicContact CG1-CG2 3.65Å; V844-I963 HydrophobicContact CB-CD1 3.94Å; V844-I963 HydrophobicContact CG1-CD1 3.38Å; V844-I963 HydrophobicContact CG1-CG1 3.66Å; V844-I963 HydrophobicContact CG2-CD1 3.27Å; V844-I963 HydrophobicContact CG2-CG1 4.43Å
845	E	80.6	Confident	67.2	Low	112 Å²	112	74.4 Å²	74.4	52%	0.523	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.9	169.7	-165	171.1	-172.6	0	0	113.4	I886	E845-I886 PolarHBondContact N-O 2.96Å; E845-I886 PolarHBondContact O-N 3.08Å
846	L	79.6	Confident	66.6	Low	14 Å²	14	71.8 Å²	71.8	7%	0.073	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.9	177.2	-169.7	79.9	0	0	0	111.3	I856 Y868 I870 A883 M885 I930 I965	L846-I856 HydrophobicContact CD2-CD1 4.42Å; L846-I856 HydrophobicContact CD2-CG2 4.03Å; L846-Y868 HydrophobicContact CB-CD1 4.22Å; L846-Y868 HydrophobicContact CB-CD2 3.89Å; L846-Y868 HydrophobicContact CB-CE1 3.9Å; L846-Y868 HydrophobicContact CB-CE2 3.54Å; L846-Y868 HydrophobicContact CB-CG 4.23Å; L846-Y868 HydrophobicContact CD2-CD1 3.9Å; L846-Y868 HydrophobicContact CD2-CD2 3.75Å; L846-Y868 HydrophobicContact CD2-CE1 4.45Å; L846-Y868 HydrophobicContact CD2-CE2 4.31Å; L846-Y868 HydrophobicContact CD2-CG 3.54Å; L846-Y868 HydrophobicContact CG-CD2 4.39Å; L846-I870 HydrophobicContact CD2-CD1 4.46Å; L846-A883 HydrophobicContact CD1-CB 3.76Å; L846-A883 HydrophobicContact CD2-CB 3.98Å; L846-A883 HydrophobicContact CG-CB 3.97Å; L846-M885 HydrophobicContact CD1-CG 3.48Å; L846-M885 VanDerWaalsContact CD1-CG 3.48Å; L846-I930 HydrophobicContact CD1-CD1 4.38Å; L846-I965 HydrophobicContact CD1-CD1 3.92Å; L846-I965 HydrophobicContact CD2-CD1 4.17Å
847	L	74.9	Confident	66.5	Low	77 Å²	77	72.3 Å²	72.3	40%	0.403	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.8	179.8	-65.1	-175.4	0	0	0	113.6	R884 I886	L847-R884 PolarHBondContact N-O 3.19Å; L847-R884 PolarHBondContact O-N 3.2Å; L847-I886 HydrophobicContact CD1-CD1 3.33Å; L847-I886 HydrophobicContact CD1-CG1 4.2Å; L847-I886 HydrophobicContact CG-CD1 4.1Å
848	K	66.3	Low	66.7	Low	125 Å²	125	74.2 Å²	74.2	54%	0.543	38%	0.378	S	S	.	.			trans	-73.6	135.3	172.2	-70.4	179.5	-179.7	-175.8	0	111.3	I856	K848-I856 HydrophobicContact CB-CD1 4.25Å; K848-I856 HydrophobicContact CG-CB 4.17Å; K848-I856 HydrophobicContact CG-CD1 3.57Å; K848-I856 HydrophobicContact CG-CG1 3.88Å
849	P	62.3	Low	66.4	Low	22 Å²	22	76.3 Å²	76.3	14%	0.143	39%	0.392	C	S	.	.			trans	-66.7	138.2	168.9	-12.4	26.2	0	0	0	110.9	H851 I882	P849-H851 PolarHBondContact O-N 2.82Å; P849-I882 WeakPolarHBondContact CG-O 3.11Å
850	N	53.2	Low	65.9	Low	154 Å²	154	80 Å²	80	82%	0.824	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	9.7	-169.9	-84.5	-9.4	0	0	0	117
851	H	52.2	Low	65.1	Low	181 Å²	181	82.2 Å²	82.2	84%	0.838	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	14.5	-174.2	-76.2	-65.9	0	0	0	116.6	P849	P849-H851 PolarHBondContact O-N 2.82Å
852	L	53.4	Low	64.1	Low	76 Å²	76	81.6 Å²	81.6	40%	0.398	41%	0.41	S	S	.	.			trans	-127.6	135.2	174.7	-73.8	106.9	0	0	0	111.9	R854	L852-R854 HydrophobicContact CB-CG 4.08Å; L852-R854 HydrophobicContact CD2-CG 4.48Å; L852-R854 PolarHBondContact O-N 2.86Å
853	N	53.3	Low	62.8	Low	183 Å²	183	90 Å²	90	98%	0.979	45%	0.446	S	S	*	.			trans	-71.5	48.4	169.8	-79.3	-11.4	0	0	0	111.5
854	R	61.4	Low	61.7	Low	33 Å²	33	89.9 Å²	89.9	13%	0.125	45%	0.453	C	S	.	.			trans	-92	135.6	177.4	-75.1	-178.3	-175.8	-165.8	1	111	L852 I856 E876	L852-R854 HydrophobicContact CB-CG 4.08Å; L852-R854 HydrophobicContact CD2-CG 4.48Å; L852-R854 PolarHBondContact O-N 2.86Å; R854-I856 PolarHBondContact O-N 2.92Å; R854-E876 IonicContact NH2-OE2 2.61Å; R854-E876 PolarHBondContact NH2-OE2 3.41Å
855	T	61.5	Low	60.9	Low	81 Å²	81	92.3 Å²	92.3	50%	0.497	47%	0.466	S	S	.	.			trans	-82.9	102.8	173	40.2	0	0	0	0	109
856	I	61	Low	60.5	Low	24 Å²	24	88.8 Å²	88.8	12%	0.123	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115.3	162.4	-55.4	-172.4	0	0	0	106.6	L846 K848 R854 Y868 I870 A883	L846-I856 HydrophobicContact CD2-CD1 4.42Å; L846-I856 HydrophobicContact CD2-CG2 4.03Å; K848-I856 HydrophobicContact CB-CD1 4.25Å; K848-I856 HydrophobicContact CG-CB 4.17Å; K848-I856 HydrophobicContact CG-CD1 3.57Å; K848-I856 HydrophobicContact CG-CG1 3.88Å; R854-I856 PolarHBondContact O-N 2.92Å; I856-Y868 HydrophobicContact CG2-CD1 4Å; I856-I870 HydrophobicContact CG1-CD1 4.47Å; I856-I870 HydrophobicContact CG1-CG1 4.3Å; I856-I870 HydrophobicContact CG2-CG1 4.48Å; I856-A883 HydrophobicContact CD1-CB 4.16Å
857	L	62.9	Low	60.5	Low	109 Å²	109	90.9 Å²	90.9	57%	0.571	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.3	177.6	-145.4	118.9	0	0	0	108.7	V859 Y868 E869	L857-V859 HydrophobicContact CD2-CG2 4.3Å; L857-V859 PolarHBondContact O-N 2.93Å; L857-Y868 WeakPolarHBondContact O-CA 3.19Å; L857-E869 PolarHBondContact N-O 2.84Å; L857-E869 PolarHBondContact O-N 2.82Å
858	E	64.5	Low	60.9	Low	69 Å²	69	87.5 Å²	87.5	32%	0.322	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	106.6	173.4	-170.3	172.6	-148.4	0	0	108.1	K861 Y868	E858-K861 HydrophobicContact CG-CG 4.42Å; E858-K861 WeakPolarHBondContact OE2-CE 3.04Å; E858-K861 IonicContact OE2-NZ 3.87Å; E858-Y868 HydrophobicContact CB-CD1 3.92Å; E858-Y868 HydrophobicContact CB-CE1 3.72Å; E858-Y868 HydrophobicContact CG-CD1 3.98Å; E858-Y868 HydrophobicContact CG-CE1 3.47Å; E858-Y868 VanDerWaalsContact CG-CE1 3.47Å; E858-Y868 PolarHBondContact OE1-OH 3.42Å
859	V	59.3	Low	61.7	Low	58 Å²	58	83.4 Å²	83.4	35%	0.352	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-30.9	-171.1	-178.1	0	0	0	0	111.2	L857 K867 E869	L857-V859 HydrophobicContact CD2-CG2 4.3Å; L857-V859 PolarHBondContact O-N 2.93Å; V859-K867 HydrophobicContact CB-CG 4.42Å; V859-K867 PolarHBondContact N-O 3.41Å; V859-E869 HydrophobicContact CG2-CB 3.8Å; V859-E869 HydrophobicContact CG2-CG 3.66Å
860	H	54.6	Low	62.9	Low	122 Å²	122	82.4 Å²	82.4	57%	0.565	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.2	124.6	-176.8	-135.6	-83	0	0	0	112.1	K867	H860-K867 HydrophobicContact CB-CB 4.14Å; H860-K867 PolarHBondContact N-O 3.09Å; H860-K867 PolarHBondContact O-N 2.84Å
861	K	50.3	Low	64.4	Low	162 Å²	162	79 Å²	79	70%	0.704	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	90.2	167.6	-83.6	-173	178.9	-177.1	0	109.7	E858	E858-K861 HydrophobicContact CG-CG 4.42Å; E858-K861 WeakPolarHBondContact OE2-CE 3.04Å; E858-K861 IonicContact OE2-NZ 3.87Å
862	S	53.3	Low	66	Low	42 Å²	42	70.7 Å²	70.7	29%	0.294	36%	0.356	S	S	.	.			trans	-101.5	148.8	156.6	150.1	0	0	0	0	108.4	S864 N865	S862-S864 PolarHBondContact O-N 2.81Å; S862-S864 PolarHBondContact OG-N 3.3Å; S862-S864 PolarHBondContact OG-OG 3.45Å; S862-N865 WeakPolarHBondContact CB-O 3.2Å; S862-N865 PolarHBondContact OG-N 3.27Å; S862-N865 VanDerWaalsContact OG-N 3.12Å
863	K	53.4	Low	67.5	Low	176 Å²	176	73.6 Å²	73.6	77%	0.765	36%	0.363	S	S	*	.	S	Bend	trans	-57.5	-36.9	174.8	-83.5	-169.3	171.6	-165.4	0	112.3
864	S	57	Low	69.1	Low	63 Å²	63	65 Å²	65	44%	0.441	32%	0.317	S	S	.	.	S	Bend	trans	-105.1	-14.7	-175.9	60.5	0	0	0	0	114.5	S862 T962	S862-S864 PolarHBondContact O-N 2.81Å; S862-S864 PolarHBondContact OG-N 3.3Å; S862-S864 PolarHBondContact OG-OG 3.45Å; S864-T962 PolarHBondContact O-N 2.79Å; S864-T962 VanDerWaalsContact O-N 3.13Å; S864-T962 PolarHBondContact O-OG1 3.37Å
865	N	64.2	Low	70.2	Confident	56 Å²	56	67.3 Å²	67.3	30%	0.299	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	90	-173.8	-152.8	7.3	0	0	0	112.3	S862 T962 H964	S862-N865 WeakPolarHBondContact CB-O 3.2Å; S862-N865 PolarHBondContact OG-N 3.27Å; S862-N865 VanDerWaalsContact OG-N 3.12Å; N865-T962 WeakPolarHBondContact CA-O 3.17Å; N865-T962 PolarHBondContact OD1-O 2.74Å; N865-T962 PolarHBondContact OD1-OG1 2.04Å; N865-H964 PolarHBondContact ND2-CD2 2.04Å; N865-H964 PolarHBondContact ND2-NE2 2.79Å; N865-H964 PolarHBondContact OD1-CD2 3.39Å; N865-H964 PolarHBondContact OD1-NE2 3.12Å; N865-H964 VanDerWaalsContact OD1-NE2 3.17Å
866	K	71.8	Confident	71.3	Confident	38 Å²	38	66.6 Å²	66.6	17%	0.165	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.1	178.3	-60.8	-168.7	179.4	-170.8	0	109.8	V844 Y868 T962 I963 H964	V844-K866 HydrophobicContact CG1-CD 4.45Å; V844-K866 WeakPolarHBondContact O-CD 3.15Å; V844-K866 WeakPolarHBondContact O-CE 3.31Å; V844-K866 PolarHBondContact O-NZ 2.84Å; K866-Y868 HydrophobicContact CB-CE2 3.83Å; K866-T962 PolarHBondContact N-O 2.87Å; K866-I963 HydrophobicContact CB-CG1 4.3Å; K866-I963 VanDerWaalsContact O-CA 3.3Å; K866-I963 WeakPolarHBondContact O-CA 3.12Å; K866-I963 WeakPolarHBondContact O-CG2 3.14Å; K866-H964 PolarHBondContact O-N 2.68Å
867	K	80.2	Confident	72.4	Confident	58 Å²	58	69.5 Å²	69.5	25%	0.252	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124	178.5	-175	178.1	166.7	-178.8	0	110.7	V859 H860 E869 H964 H966	V859-K867 HydrophobicContact CB-CG 4.42Å; V859-K867 PolarHBondContact N-O 3.41Å; H860-K867 HydrophobicContact CB-CB 4.14Å; H860-K867 PolarHBondContact N-O 3.09Å; H860-K867 PolarHBondContact O-N 2.84Å; K867-E869 IonicContact NZ-OE1 2.98Å; K867-H964 CarbonylContact C-O 3.54Å; K867-H964 VanDerWaalsContact CA-O 3.28Å; K867-H964 WeakPolarHBondContact CA-O 3.08Å; K867-H964 HydrophobicContact CG-CB 4.36Å; K867-H966 WeakPolarHBondContact CE-CE1 2.94Å; K867-H966 WeakPolarHBondContact CE-ND1 3.19Å; K867-H966 VanDerWaalsContact CE-NE2 3.33Å; K867-H966 WeakPolarHBondContact CE-NE2 3.46Å; K867-H966 PolarHBondContact NZ-CE1 2.48Å
868	Y	82.9	Confident	73.6	Confident	5 Å²	5	67.1 Å²	67.1	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.1	176.1	-62.5	-79.9	0	0	0	110.3	L846 I856 L857 E858 K866 I963 H964 I965 H966	L846-Y868 HydrophobicContact CB-CD1 4.22Å; L846-Y868 HydrophobicContact CB-CD2 3.89Å; L846-Y868 HydrophobicContact CB-CE1 3.9Å; L846-Y868 HydrophobicContact CB-CE2 3.54Å; L846-Y868 HydrophobicContact CB-CG 4.23Å; L846-Y868 HydrophobicContact CD2-CD1 3.9Å; L846-Y868 HydrophobicContact CD2-CD2 3.75Å; L846-Y868 HydrophobicContact CD2-CE1 4.45Å; L846-Y868 HydrophobicContact CD2-CE2 4.31Å; L846-Y868 HydrophobicContact CD2-CG 3.54Å; L846-Y868 HydrophobicContact CG-CD2 4.39Å; I856-Y868 HydrophobicContact CG2-CD1 4Å; L857-Y868 WeakPolarHBondContact O-CA 3.19Å; E858-Y868 HydrophobicContact CB-CD1 3.92Å; E858-Y868 HydrophobicContact CB-CE1 3.72Å; E858-Y868 HydrophobicContact CG-CD1 3.98Å; E858-Y868 HydrophobicContact CG-CE1 3.47Å; E858-Y868 VanDerWaalsContact CG-CE1 3.47Å; E858-Y868 PolarHBondContact OE1-OH 3.42Å; K866-Y868 HydrophobicContact CB-CE2 3.83Å; Y868-I963 HydrophobicContact CD2-CG2 3.65Å; Y868-I963 HydrophobicContact CE2-CG2 3.92Å; Y868-H964 PolarHBondContact N-O 2.86Å; Y868-I965 CarbonylContact O-C 3.38Å; Y868-I965 WeakPolarHBondContact O-CA 3.1Å; Y868-H966 PolarHBondContact O-N 2.84Å
869	E	83.2	Confident	74.5	Confident	40 Å²	40	66.2 Å²	66.2	19%	0.187	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.6	168.2	-84.7	179.6	-160.4	0	0	109.8	L857 V859 K867 H966 K968	L857-E869 PolarHBondContact N-O 2.84Å; L857-E869 PolarHBondContact O-N 2.82Å; V859-E869 HydrophobicContact CG2-CB 3.8Å; V859-E869 HydrophobicContact CG2-CG 3.66Å; K867-E869 IonicContact NZ-OE1 2.98Å; E869-H966 CarbonylContact C-O 3.55Å; E869-H966 WeakPolarHBondContact CA-O 3.22Å; E869-H966 HydrophobicContact CG-CB 3.68Å; E869-K968 WeakPolarHBondContact OE2-CE 3.42Å; E869-K968 IonicContact OE2-NZ 3.99Å; E869-K968 PolarHBondContact OE2-NZ 3.19Å
870	I	86.3	Confident	75.8	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.2	179.2	-55.2	-179.9	0	0	0	107.3	L846 I856 I882 A883 I965 H966 I967 K968	L846-I870 HydrophobicContact CD2-CD1 4.46Å; I856-I870 HydrophobicContact CG1-CD1 4.47Å; I856-I870 HydrophobicContact CG1-CG1 4.3Å; I856-I870 HydrophobicContact CG2-CG1 4.48Å; I870-I882 HydrophobicContact CD1-CG2 3.69Å; I870-I882 HydrophobicContact CG2-CG2 4.36Å; I870-A883 HydrophobicContact CD1-CB 4.15Å; I870-I965 HydrophobicContact CD1-CG2 3.64Å; I870-I965 HydrophobicContact CG1-CG2 4.06Å; I870-H966 PolarHBondContact N-O 2.83Å; I870-I967 HydrophobicContact CB-CG1 4.29Å; I870-I967 CarbonylContact O-C 3.23Å; I870-I967 VanDerWaalsContact O-CA 3.26Å; I870-I967 WeakPolarHBondContact O-CA 3.05Å; I870-K968 PolarHBondContact O-N 2.88Å
871	E	84.7	Confident	77.3	Confident	82 Å²	82	63.1 Å²	63.1	38%	0.383	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.7	174.5	-72.8	169.9	175.1	0	0	109.9	K968 L970	E871-K968 WeakPolarHBondContact CA-O 3.32Å; E871-K968 HydrophobicContact CG-CB 3.92Å; E871-K968 HydrophobicContact CG-CD 4.06Å; E871-L970 HydrophobicContact CB-CD1 4.28Å
872	M	86.5	Confident	78.9	Confident	7 Å²	7	55.4 Å²	55.4	3%	0.034	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.9	168.7	78.8	-175.5	-70.9	0	0	110.6	E876 T932 L936 I967 K968 I969 L970	M872-E876 HydrophobicContact CE-CB 3.63Å; M872-E876 HydrophobicContact CE-CG 3.81Å; M872-T932 HydrophobicContact CE-CG2 4.08Å; M872-T932 HydrophobicContact SD-CG2 4.39Å; M872-L936 HydrophobicContact SD-CD1 3.95Å; M872-I967 HydrophobicContact CG-CG2 4.06Å; M872-I967 HydrophobicContact SD-CG2 4Å; M872-K968 PolarHBondContact N-O 2.74Å; M872-I969 CarbonylContact O-C 3.53Å; M872-I969 VanDerWaalsContact O-CA 3.32Å; M872-I969 WeakPolarHBondContact O-CA 3.26Å; M872-L970 PolarHBondContact O-N 2.79Å
873	Y	85.4	Confident	80.4	Confident	137 Å²	137	53.4 Å²	53.4	54%	0.537	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	150.5	169.8	-71.7	-82	0	0	0	110.3	E876 L970 I972	Y873-E876 WeakPolarHBondContact O-CG 3.49Å; Y873-L970 HydrophobicContact CD1-CB 3.62Å; Y873-L970 HydrophobicContact CD1-CD1 4.18Å; Y873-L970 HydrophobicContact CD2-CD1 4.29Å; Y873-L970 HydrophobicContact CE1-CB 3.82Å; Y873-L970 HydrophobicContact CE1-CD1 3.88Å; Y873-L970 HydrophobicContact CE2-CD1 4Å; Y873-L970 HydrophobicContact CG-CB 4.21Å; Y873-L970 HydrophobicContact CG-CD1 4.38Å; Y873-I972 HydrophobicContact CD1-CG1 4.28Å
874	E	87.1	Confident	82	Confident	3 Å²	3	51 Å²	51	1%	0.014	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	169.5	168	70.8	-173.6	124	0	0	112.4	E876 L936 R938 I969 L970 D971 I972	E874-E876 PolarHBondContact O-N 3.1Å; E874-E876 VanDerWaalsContact O-N 3.12Å; E874-L936 CarbonylContact C-O 3.56Å; E874-L936 WeakPolarHBondContact CA-O 3.39Å; E874-L936 WeakPolarHBondContact CB-O 3.17Å; E874-R938 HydrophobicContact CB-CB 4.2Å; E874-R938 HydrophobicContact CG-CB 4.5Å; E874-R938 WeakPolarHBondContact OE2-CB 3.23Å; E874-R938 PolarHBondContact OE2-N 3.35Å; E874-I969 HydrophobicContact CB-CG2 3.8Å; E874-L970 PolarHBondContact N-O 2.76Å; E874-D971 WeakPolarHBondContact OE1-CA 3.41Å; E874-I972 HydrophobicContact CG-CB 4.16Å; E874-I972 HydrophobicContact CG-CD1 3.82Å; E874-I972 HydrophobicContact CG-CG1 3.89Å; E874-I972 PolarHBondContact OE1-N 3.34Å
875	N	84	Confident	83.3	Confident	82 Å²	82	48.2 Å²	48.2	44%	0.439	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	11.8	178.8	-64.9	-39.5	0	0	0	115.9	L936	N875-L936 PolarHBondContact N-O 3.16Å
876	E	84	Confident	84.3	Confident	65 Å²	65	49.4 Å²	49.4	30%	0.304	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63.1	140.9	169.3	-73.4	-91.7	131.3	0	0	111.5	R854 M872 Y873 E874 P935	R854-E876 IonicContact NH2-OE2 2.61Å; R854-E876 PolarHBondContact NH2-OE2 3.41Å; M872-E876 HydrophobicContact CE-CB 3.63Å; M872-E876 HydrophobicContact CE-CG 3.81Å; Y873-E876 WeakPolarHBondContact O-CG 3.49Å; E874-E876 PolarHBondContact O-N 3.1Å; E874-E876 VanDerWaalsContact O-N 3.12Å; E876-P935 WeakPolarHBondContact O-CA 3.5Å; E876-P935 WeakPolarHBondContact O-CB 3.44Å
877	P	85.7	Confident	84.8	Confident	86 Å²	86	48.7 Å²	48.7	56%	0.558	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-65.2	155.3	-174.8	26	-33.9	0	0	0	113.5	T880 T932	P877-T880 WeakPolarHBondContact O-CB 2.98Å; P877-T880 PolarHBondContact O-OG1 2.93Å; P877-T932 PolarHBondContact O-OG1 3.32Å
878	A	86.9	Confident	84.9	Confident	59 Å²	59	52.8 Å²	52.8	49%	0.488	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	142.8	173.3	0	0	0	0	0	111.9	L933	A878-L933 WeakPolarHBondContact CB-O 3.48Å
879	G	84	Confident	84.9	Confident	49 Å²	49	53.7 Å²	53.7	51%	0.505	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	5.9	-178.7	0	0	0	0	0	114.7	Q881 T932	G879-Q881 PolarHBondContact O-N 2.75Å; G879-T932 VanDerWaalsContact CA-O 3.27Å; G879-T932 WeakPolarHBondContact CA-O 3.22Å; G879-T932 PolarHBondContact N-O 3.04Å; G879-T932 PolarHBondContact N-OG1 2.82Å
880	T	86.7	Confident	84.5	Confident	20 Å²	20	55.8 Å²	55.8	12%	0.123	30%	0.296	C	S	.	.			trans	-66.7	127.9	-180	-62.9	0	0	0	0	110.8	P877 T931 T932	P877-T880 WeakPolarHBondContact O-CB 2.98Å; P877-T880 PolarHBondContact O-OG1 2.93Å; T880-T931 WeakPolarHBondContact O-CA 3.33Å; T880-T932 PolarHBondContact N-OG1 3.35Å; T880-T932 PolarHBondContact O-N 3.23Å
881	Q	85.8	Confident	83.9	Confident	95 Å²	95	57.1 Å²	57.1	44%	0.444	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127	-179.1	-65.6	-178.9	-2.9	0	0	111.2	G879 T931	G879-Q881 PolarHBondContact O-N 2.75Å; Q881-T931 HydrophobicContact CG-CG2 4.06Å
882	I	83.3	Confident	83.2	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-59.4	-175.8	-59.7	170.2	0	0	0	110.4	P849 I870 I921 I930 T932 I967	P849-I882 WeakPolarHBondContact CG-O 3.11Å; I870-I882 HydrophobicContact CD1-CG2 3.69Å; I870-I882 HydrophobicContact CG2-CG2 4.36Å; I882-I921 HydrophobicContact CD1-CD1 3.37Å; I882-I921 HydrophobicContact CD1-CG1 3.99Å; I882-I930 HydrophobicContact CB-CB 4.39Å; I882-I930 HydrophobicContact CB-CG2 4.15Å; I882-I930 HydrophobicContact CD1-CG2 4.14Å; I882-I930 PolarHBondContact N-O 3.03Å; I882-T932 HydrophobicContact CD1-CG2 3.8Å; I882-T932 HydrophobicContact CG1-CG2 4.25Å; I882-I967 HydrophobicContact CD1-CD1 4.06Å; I882-I967 HydrophobicContact CG2-CD1 4.08Å
883	A	84.9	Confident	82.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	174.5	-177.3	0	0	0	0	0	111.9	L846 I856 I870 I930	L846-A883 HydrophobicContact CD1-CB 3.76Å; L846-A883 HydrophobicContact CD2-CB 3.98Å; L846-A883 HydrophobicContact CG-CB 3.97Å; I856-A883 HydrophobicContact CD1-CB 4.16Å; I870-A883 HydrophobicContact CD1-CB 4.15Å; A883-I930 WeakPolarHBondContact O-CB 3.44Å; A883-I930 PolarHBondContact O-N 2.8Å
884	R	87.1	Confident	81.6	Confident	126 Å²	126	66.4 Å²	66.4	48%	0.475	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.6	175.6	-176.3	179.3	179	-168.5	-4.7	112.6	L847 K927 G928 L929	L847-R884 PolarHBondContact N-O 3.19Å; L847-R884 PolarHBondContact O-N 3.2Å; R884-K927 PolarHBondContact NE-O 3.21Å; R884-G928 CarbonylContact C-O 3.51Å; R884-G928 VanDerWaalsContact CA-O 3.27Å; R884-G928 WeakPolarHBondContact CA-O 3.26Å; R884-L929 HydrophobicContact CB-CD1 4.28Å
885	M	85.5	Confident	80.6	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.015	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	152.2	179.1	-68.5	-163	-61.4	0	0	114.5	L846 F900 I923 G928 L949 I963	L846-M885 HydrophobicContact CD1-CG 3.48Å; L846-M885 VanDerWaalsContact CD1-CG 3.48Å; M885-F900 HydrophobicContact CB-CD1 3.99Å; M885-F900 HydrophobicContact CB-CE1 3.74Å; M885-F900 HydrophobicContact CE-CB 4.23Å; M885-F900 HydrophobicContact CE-CD1 3.61Å; M885-F900 HydrophobicContact CE-CE1 4.42Å; M885-F900 HydrophobicContact CE-CG 4.28Å; M885-I923 HydrophobicContact CE-CD1 3.21Å; M885-G928 PolarHBondContact N-O 2.78Å; M885-L949 HydrophobicContact CE-CB 3.87Å; M885-L949 HydrophobicContact CE-CD2 3.72Å; M885-L949 HydrophobicContact CE-CG 4.25Å; M885-L949 HydrophobicContact SD-CB 4.21Å; M885-L949 HydrophobicContact SD-CD1 4.43Å; M885-I963 HydrophobicContact CG-CD1 4.43Å; M885-I963 HydrophobicContact SD-CD1 3.43Å; M885-I963 WeakPolarHBondContact SD-CD1 3.49Å
886	I	83.4	Confident	80.1	Confident	82 Å²	82	64.1 Å²	64.1	42%	0.421	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	140.9	175.5	-55.1	-175.5	0	0	0	110.3	V844 E845 L847	V844-I886 CarbonylContact C-O 3.38Å; V844-I886 VanDerWaalsContact CA-O 3.29Å; V844-I886 WeakPolarHBondContact CA-O 3.38Å; V844-I886 WeakPolarHBondContact CG2-O 3.45Å; E845-I886 PolarHBondContact N-O 2.96Å; E845-I886 PolarHBondContact O-N 3.08Å; L847-I886 HydrophobicContact CD1-CD1 3.33Å; L847-I886 HydrophobicContact CD1-CG1 4.2Å; L847-I886 HydrophobicContact CG-CD1 4.1Å
887	G	83.3	Confident	79.9	Confident	22 Å²	22	68.4 Å²	68.4	23%	0.227	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	173.8	176.9	0	0	0	0	0	117	E843 I898	E843-G887 CarbonylContact O-C 3.47Å; E843-G887 WeakPolarHBondContact O-CA 3.48Å; G887-I898 VanDerWaalsContact O-CD1 3.22Å; G887-I898 WeakPolarHBondContact O-CD1 3.37Å
888	Y	82.2	Confident	79.9	Confident	145 Å²	145	66.4 Å²	66.4	57%	0.569	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.9	159.5	179.2	62.5	-93.7	0	0	0	113.6	P842 E843	P842-Y888 CarbonylContact C-O 3.37Å; P842-Y888 WeakPolarHBondContact CA-O 3.18Å; E843-Y888 HydrophobicContact CB-CD1 4.39Å; E843-Y888 HydrophobicContact CB-CD2 4.18Å; E843-Y888 HydrophobicContact CB-CE1 3.98Å; E843-Y888 HydrophobicContact CB-CE2 3.71Å; E843-Y888 HydrophobicContact CG-CE2 4.04Å; E843-Y888 PolarHBondContact N-O 3.48Å; E843-Y888 PolarHBondContact O-N 2.86Å; E843-Y888 WeakPolarHBondContact OE2-CE2 3.27Å; E843-Y888 PolarHBondContact OE2-OH 3.23Å
889	D	82.1	Confident	79.9	Confident	24 Å²	24	65 Å²	65	13%	0.128	34%	0.34	C	S	.	.			trans	-138.9	134.1	-179.8	-165.7	-54	0	0	0	112.6	P842 D891 I898 D953	P842-D889 VanDerWaalsContact CA-OD2 3.31Å; P842-D889 WeakPolarHBondContact CA-OD2 3.5Å; P842-D889 HydrophobicContact CB-CB 3.98Å; P842-D889 WeakPolarHBondContact CB-OD2 3.25Å; P842-D889 VanDerWaalsContact CD-OD2 3.25Å; P842-D889 WeakPolarHBondContact CD-OD2 3.46Å; P842-D889 VanDerWaalsContact N-OD2 3.14Å; D889-D891 PolarHBondContact OD1-N 3.24Å; D889-I898 HydrophobicContact CB-CG2 4.01Å; D889-D953 WeakPolarHBondContact OD2-CB 3.47Å
890	P	75.9	Confident	80.1	Confident	83 Å²	83	63.4 Å²	63.4	54%	0.539	32%	0.319	S	S	.	.			trans	-87.7	-9.2	-177.5	35.4	-35.5	0	0	0	116.4	F840	F840-P890 HydrophobicContact CB-CG 3.5Å; F840-P890 VanDerWaalsContact CB-CG 3.5Å; F840-P890 HydrophobicContact CD2-CG 4.21Å; F840-P890 HydrophobicContact CG-CG 3.87Å
891	D	73.5	Confident	80.1	Confident	29 Å²	29	65.2 Å²	65.2	16%	0.155	33%	0.328	C	S	.	.	S	Bend	trans	-69	158.4	-179.3	-86	-47.2	0	0	0	113.9	N838 S839 F840 D889 A895	N838-D891 PolarHBondContact OD1-OD2 2.82Å; S839-D891 PolarHBondContact N-OD2 2.8Å; S839-D891 VanDerWaalsContact N-OD2 3.08Å; F840-D891 WeakPolarHBondContact CA-OD2 3.2Å; F840-D891 WeakPolarHBondContact CB-OD2 3.29Å; F840-D891 WeakPolarHBondContact CD2-OD1 3.39Å; F840-D891 PolarHBondContact N-OD2 3.01Å; D889-D891 PolarHBondContact OD1-N 3.24Å; D891-A895 HydrophobicContact CB-CB 3.54Å
892	R	68.9	Low	80.1	Confident	240 Å²	240	62.8 Å²	62.8	91%	0.906	32%	0.317	S	S	*	.	S	Bend	trans	-85.5	136.2	-179.8	-81.3	-175.1	148	-154.9	-5.2	112.1
893	G	69.4	Low	80.1	Confident	65 Å²	65	66.9 Å²	66.9	67%	0.67	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	83.8	-145.4	171.4	0	0	0	0	0	113.1	A895 G896	G893-A895 PolarHBondContact O-N 2.82Å; G893-G896 PolarHBondContact O-N 2.85Å
894	D	70.5	Confident	80.1	Confident	115 Å²	115	70.7 Å²	70.7	62%	0.615	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-59.4	-25.5	176.6	-77.9	-43.5	0	0	0	112.4	G896 R897 H954	D894-G896 PolarHBondContact O-N 2.84Å; D894-G896 VanDerWaalsContact O-N 3.12Å; D894-R897 PolarHBondContact O-N 3.1Å; D894-H954 HydrophobicContact CB-CB 4.3Å; D894-H954 CarbonylContact O-C 3.52Å; D894-H954 VanDerWaalsContact O-C 3.23Å; D894-H954 WeakPolarHBondContact O-CA 3.16Å; D894-H954 VanDerWaalsContact O-CB 3.3Å; D894-H954 WeakPolarHBondContact O-CB 3.43Å; D894-H954 PolarHBondContact O-N 2.81Å
895	A	66	Low	80.1	Confident	13 Å²	13	65 Å²	65	11%	0.107	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-58	-18.9	170.2	0	0	0	0	0	114.4	N838 D891 G893 D953	N838-A895 WeakPolarHBondContact OD1-CB 3.13Å; D891-A895 HydrophobicContact CB-CB 3.54Å; G893-A895 PolarHBondContact O-N 2.82Å; A895-D953 VanDerWaalsContact O-CB 3.27Å; A895-D953 WeakPolarHBondContact O-CB 3.43Å
896	G	72.7	Confident	80.2	Confident	24 Å²	24	66.1 Å²	66.1	25%	0.247	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-98.4	-0	179.7	0	0	0	0	0	116.8	G893 D894	G893-G896 PolarHBondContact O-N 2.85Å; D894-G896 PolarHBondContact O-N 2.84Å; D894-G896 VanDerWaalsContact O-N 3.12Å
897	R	80.6	Confident	80.2	Confident	155 Å²	155	62.3 Å²	62.3	59%	0.585	32%	0.322	S	S	*	.			trans	-97	132.3	-173.5	177.6	-174.6	172.7	-176.3	-4.5	111.9	D894 D953 H954	D894-R897 PolarHBondContact O-N 3.1Å; R897-D953 CarbonylContact O-C 3.48Å; R897-D953 VanDerWaalsContact O-C 3.27Å; R897-D953 WeakPolarHBondContact O-CA 2.81Å; R897-H954 PolarHBondContact O-N 3.28Å; R897-H954 PolarHBondContact O-ND1 3.43Å
898	I	85.1	Confident	80.1	Confident	45 Å²	45	64.3 Å²	64.3	23%	0.231	32%	0.324	C	S	.	.			trans	-115	153.1	-172.9	67.2	168.3	0	0	0	117.1	P842 G887 D889 I951 Q952	P842-I898 HydrophobicContact CB-CG2 3.55Å; P842-I898 HydrophobicContact CG-CG2 4.34Å; G887-I898 VanDerWaalsContact O-CD1 3.22Å; G887-I898 WeakPolarHBondContact O-CD1 3.37Å; D889-I898 HydrophobicContact CB-CG2 4.01Å; I898-I951 HydrophobicContact CB-CG2 3.76Å; I898-I951 HydrophobicContact CD1-CG2 4.09Å; I898-I951 HydrophobicContact CG1-CG2 4.49Å; I898-I951 HydrophobicContact CG2-CG2 4Å; I898-Q952 CarbonylContact C-O 3.27Å; I898-Q952 VanDerWaalsContact CA-O 3.22Å; I898-Q952 WeakPolarHBondContact CA-O 3.14Å
899	T	86.7	Confident	79.6	Confident	28 Å²	28	58.6 Å²	58.6	17%	0.172	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.4	171.2	44.3	0	0	0	0	112.5	I951 Q952	T899-I951 WeakPolarHBondContact O-CA 3.43Å; T899-Q952 PolarHBondContact N-O 2.9Å; T899-Q952 PolarHBondContact O-N 2.9Å; T899-Q952 VanDerWaalsContact O-N 3.09Å; T899-Q952 WeakPolarHBondContact OG1-CG 3.36Å; T899-Q952 PolarHBondContact OG1-NE2 2.72Å; T899-Q952 VanDerWaalsContact OG1-NE2 3.07Å
900	F	87.7	Confident	78.7	Confident	16 Å²	16	59.2 Å²	59.2	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.2	179.3	-55.9	-84.4	0	0	0	111.4	M885 I923 P925 I951	M885-F900 HydrophobicContact CB-CD1 3.99Å; M885-F900 HydrophobicContact CB-CE1 3.74Å; M885-F900 HydrophobicContact CE-CB 4.23Å; M885-F900 HydrophobicContact CE-CD1 3.61Å; M885-F900 HydrophobicContact CE-CE1 4.42Å; M885-F900 HydrophobicContact CE-CG 4.28Å; F900-I923 HydrophobicContact CB-CD1 4.34Å; F900-P925 WeakPolarHBondContact CD2-O 3.45Å; F900-P925 PolarHBondContact N-O 2.77Å; F900-P925 VanDerWaalsContact N-O 3.08Å; F900-P925 VanDerWaalsContact O-CA 3.28Å; F900-P925 WeakPolarHBondContact O-CA 2.98Å; F900-P925 WeakPolarHBondContact O-CB 3.31Å; F900-I951 HydrophobicContact CD1-CD1 3.63Å; F900-I951 HydrophobicContact CD1-CG1 3.36Å; F900-I951 HydrophobicContact CE1-CD1 3.47Å; F900-I951 VanDerWaalsContact CE1-CD1 3.47Å; F900-I951 HydrophobicContact CE1-CG1 3.67Å; F900-I951 HydrophobicContact CG-CG1 4.32Å
901	I	86.8	Confident	78.1	Confident	59 Å²	59	58 Å²	58	30%	0.303	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	127.4	-177.6	-56.2	-177.6	0	0	0	110	I903 L949 H950 Q952	I901-I903 HydrophobicContact CB-CG1 4.45Å; I901-I903 HydrophobicContact CG2-CG1 3.94Å; I901-I903 PolarHBondContact O-N 3.15Å; I901-L949 CarbonylContact O-C 3.55Å; I901-L949 VanDerWaalsContact O-CA 3.27Å; I901-L949 WeakPolarHBondContact O-CA 3.35Å; I901-H950 PolarHBondContact N-O 3.07Å; I901-H950 PolarHBondContact O-N 2.77Å; I901-Q952 HydrophobicContact CD1-CG 3.99Å; I901-Q952 VanDerWaalsContact CD1-NE2 3.29Å
902	L	87.1	Confident	77.8	Confident	43 Å²	43	58.1 Å²	58.1	23%	0.225	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	108	165.3	176.6	63.6	0	0	0	108.5	Q904 N905 I923 L947 L949	L902-Q904 WeakPolarHBondContact CD1-O 3.47Å; L902-N905 HydrophobicContact CD2-CB 4.25Å; L902-I923 HydrophobicContact CB-CG2 3.51Å; L902-L947 HydrophobicContact CD1-CB 4.12Å; L902-L947 HydrophobicContact CD1-CD2 3.93Å; L902-L949 HydrophobicContact CB-CD2 4.12Å; L902-L949 HydrophobicContact CD1-CD2 3.89Å; L902-L949 HydrophobicContact CD1-CG 3.93Å
903	I	82.2	Confident	78.3	Confident	88 Å²	88	49.7 Å²	49.7	45%	0.451	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-39.2	-178.2	-55.7	-153.7	0	0	0	110.7	I901 T948 H950	I901-I903 HydrophobicContact CB-CG1 4.45Å; I901-I903 HydrophobicContact CG2-CG1 3.94Å; I901-I903 PolarHBondContact O-N 3.15Å; I903-T948 PolarHBondContact N-O 2.74Å; I903-H950 HydrophobicContact CD1-CB 3.69Å; I903-H950 WeakPolarHBondContact CD1-CD2 3.17Å; I903-H950 HydrophobicContact CG1-CB 4.05Å; I903-H950 VanDerWaalsContact CG1-CD2 3.45Å; I903-H950 WeakPolarHBondContact CG1-CD2 3.46Å
904	Q	84.9	Confident	78.8	Confident	80 Å²	80	51.8 Å²	51.8	37%	0.374	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.5	-172	-168.3	171.9	40.1	0	0	109.6	L902 L906 L947 T948	L902-Q904 WeakPolarHBondContact CD1-O 3.47Å; Q904-L906 VanDerWaalsContact CD-CD1 3.48Å; Q904-L906 HydrophobicContact CG-CD1 3.75Å; Q904-L906 HydrophobicContact CG-CG 3.59Å; Q904-L947 CarbonylContact O-C 3.52Å; Q904-L947 VanDerWaalsContact O-CA 3.28Å; Q904-L947 WeakPolarHBondContact O-CA 3.5Å; Q904-T948 PolarHBondContact N-O 3.27Å; Q904-T948 VanDerWaalsContact N-O 3.14Å; Q904-T948 PolarHBondContact O-N 2.97Å; Q904-T948 PolarHBondContact OE1-OG1 3.05Å
905	N	87.5	Confident	79.3	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	95.7	170.3	-174.2	9.1	0	0	0	107	L902 K916 I917 I921 L945 L947	L902-N905 HydrophobicContact CD2-CB 4.25Å; N905-K916 WeakPolarHBondContact O-CA 3.15Å; N905-I917 VanDerWaalsContact CB-O 3.27Å; N905-I917 WeakPolarHBondContact CB-O 3.36Å; N905-I917 PolarHBondContact ND2-O 2.91Å; N905-I917 PolarHBondContact O-N 2.8Å; N905-I921 PolarHBondContact ND2-N 2.98Å; N905-L945 WeakPolarHBondContact OD1-CD1 3.39Å; N905-L947 HydrophobicContact CB-CD2 4.06Å; N905-L947 WeakPolarHBondContact OD1-CD2 3.08Å
906	L	87.7	Confident	80.1	Confident	27 Å²	27	58 Å²	58	14%	0.141	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.6	-177.1	-73.8	174.3	0	0	0	109.6	Q904 Y914 K915 K916 L945 L946	Q904-L906 VanDerWaalsContact CD-CD1 3.48Å; Q904-L906 HydrophobicContact CG-CD1 3.75Å; Q904-L906 HydrophobicContact CG-CG 3.59Å; L906-Y914 HydrophobicContact CB-CD1 4.29Å; L906-K915 CarbonylContact C-O 3.46Å; L906-K915 WeakPolarHBondContact CA-O 3.37Å; L906-K916 HydrophobicContact CD2-CB 4Å; L906-L945 CarbonylContact O-C 3.56Å; L906-L945 WeakPolarHBondContact O-CA 3.34Å; L906-L946 HydrophobicContact CB-CB 4.22Å; L906-L946 PolarHBondContact N-O 2.85Å; L906-L946 PolarHBondContact O-N 3.23Å
907	I	84.3	Confident	80.4	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.2	166.7	-136.5	151.2	0	0	0	108.9	T909 Y914 K915 I917 D941 L945	I907-T909 HydrophobicContact CG2-CG2 4.1Å; I907-T909 PolarHBondContact O-N 3.42Å; I907-T909 VanDerWaalsContact O-N 3.13Å; I907-Y914 CarbonylContact O-C 3.55Å; I907-Y914 VanDerWaalsContact O-CA 3.26Å; I907-Y914 WeakPolarHBondContact O-CA 3.41Å; I907-K915 HydrophobicContact CG2-CB 4.42Å; I907-K915 PolarHBondContact N-O 2.79Å; I907-K915 PolarHBondContact O-N 2.84Å; I907-I917 HydrophobicContact CB-CD1 3.66Å; I907-I917 HydrophobicContact CB-CG1 4.29Å; I907-I917 HydrophobicContact CD1-CD1 3.85Å; I907-I917 HydrophobicContact CG1-CD1 4.41Å; I907-I917 HydrophobicContact CG2-CD1 3.3Å; I907-I917 HydrophobicContact CG2-CG1 4.11Å; I907-D941 HydrophobicContact CD1-CB 3.53Å; I907-D941 HydrophobicContact CG1-CB 4.33Å; I907-D941 WeakPolarHBondContact CG1-O 3.11Å; I907-D941 VanDerWaalsContact CG2-O 3.22Å; I907-D941 WeakPolarHBondContact CG2-O 3.46Å; I907-L945 HydrophobicContact CB-CD1 3.78Å; I907-L945 HydrophobicContact CD1-CD1 3.53Å; I907-L945 HydrophobicContact CG1-CB 4.38Å; I907-L945 HydrophobicContact CG1-CD1 3.46Å; I907-L945 VanDerWaalsContact CG1-CD1 3.46Å
908	K	81.1	Confident	80.2	Confident	65 Å²	65	56 Å²	56	28%	0.283	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	95.9	166.3	-170.9	179.9	172.8	-174.6	0	106.7	Y914 G942 L944	K908-Y914 HydrophobicContact CB-CD1 3.88Å; K908-Y914 HydrophobicContact CB-CE1 3.5Å; K908-Y914 HydrophobicContact CD-CE1 4.27Å; K908-Y914 HydrophobicContact CG-CD1 4.37Å; K908-Y914 HydrophobicContact CG-CE1 3.88Å; K908-G942 VanDerWaalsContact O-CA 3.31Å; K908-G942 WeakPolarHBondContact O-CA 3.48Å; K908-L944 HydrophobicContact CB-CB 4Å; K908-L944 WeakPolarHBondContact CB-O 3.41Å; K908-L944 HydrophobicContact CD-CB 4.39Å; K908-L944 PolarHBondContact N-O 3.21Å
909	T	71.8	Confident	79.9	Confident	24 Å²	24	58 Å²	58	15%	0.147	30%	0.299	C	S	.	.			trans	-55.4	157	171.4	69.9	0	0	0	0	109.1	I907 I911 G912 S913 K915	I907-T909 HydrophobicContact CG2-CG2 4.1Å; I907-T909 PolarHBondContact O-N 3.42Å; I907-T909 VanDerWaalsContact O-N 3.13Å; T909-I911 PolarHBondContact O-N 2.85Å; T909-I911 VanDerWaalsContact O-N 3.15Å; T909-G912 VanDerWaalsContact O-CA 3.29Å; T909-G912 WeakPolarHBondContact O-CA 3.26Å; T909-G912 PolarHBondContact O-N 3.28Å; T909-S913 WeakPolarHBondContact CB-O 3.48Å; T909-S913 WeakPolarHBondContact CG2-O 3.48Å; T909-S913 PolarHBondContact N-O 2.65Å; T909-S913 PolarHBondContact OG1-N 2.98Å; T909-S913 PolarHBondContact OG1-O 3.18Å; T909-S913 PolarHBondContact OG1-OG 2.9Å; T909-K915 HydrophobicContact CG2-CB 3.67Å
910	C	61.4	Low	79.7	Confident	37 Å²	37	56.7 Å²	56.7	25%	0.25	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.5	-178	29.8	0	0	0	0	114.5	G912 E939 C1005	C910-G912 PolarHBondContact O-N 2.99Å; C910-E939 PolarHBondContact SG-O 3.09Å; C910-C1005 HydrophobicContact CB-CB 3.69Å; C910-C1005 WeakPolarHBondContact CB-SG 3.35Å; C910-C1005 WeakPolarHBondContact SG-CB 3.19Å; C910-C1005 CovalentContact SG-SG 2Å; C910-C1005 PolarHBondContact SG-SG 3.41Å
911	I	65.4	Low	79.8	Confident	57 Å²	57	56.2 Å²	56.2	29%	0.292	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.5	163.7	-51	174.7	0	0	0	111.2	T909 S913 C1005	T909-I911 PolarHBondContact O-N 2.85Å; T909-I911 VanDerWaalsContact O-N 3.15Å; I911-S913 VanDerWaalsContact C-N 3.31Å; I911-C1005 HydrophobicContact CG1-CB 3.9Å
912	G	66.9	Low	79.8	Confident	32 Å²	32	55.8 Å²	55.8	33%	0.33	29%	0.291	S	S	.	.	S	Bend	trans	85.4	-1.7	-176	0	0	0	0	0	113.9	T909 C910	T909-G912 VanDerWaalsContact O-CA 3.29Å; T909-G912 WeakPolarHBondContact O-CA 3.26Å; T909-G912 PolarHBondContact O-N 3.28Å; C910-G912 PolarHBondContact O-N 2.99Å
913	S	78.8	Confident	79.9	Confident	63 Å²	63	54.8 Å²	54.8	44%	0.441	29%	0.285	S	S	.	.			trans	-81.1	146.3	173.7	63.6	0	0	0	0	110.7	T909 I911	T909-S913 WeakPolarHBondContact CB-O 3.48Å; T909-S913 WeakPolarHBondContact CG2-O 3.48Å; T909-S913 PolarHBondContact N-O 2.65Å; T909-S913 PolarHBondContact OG1-N 2.98Å; T909-S913 PolarHBondContact OG1-O 3.18Å; T909-S913 PolarHBondContact OG1-OG 2.9Å; I911-S913 VanDerWaalsContact C-N 3.31Å
914	Y	80.4	Confident	80.1	Confident	110 Å²	110	52.8 Å²	52.8	43%	0.431	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.3	176.8	-68	-82.2	0	0	0	110.4	L906 I907 K908 L946	L906-Y914 HydrophobicContact CB-CD1 4.29Å; I907-Y914 CarbonylContact O-C 3.55Å; I907-Y914 VanDerWaalsContact O-CA 3.26Å; I907-Y914 WeakPolarHBondContact O-CA 3.41Å; K908-Y914 HydrophobicContact CB-CD1 3.88Å; K908-Y914 HydrophobicContact CB-CE1 3.5Å; K908-Y914 HydrophobicContact CD-CE1 4.27Å; K908-Y914 HydrophobicContact CG-CD1 4.37Å; K908-Y914 HydrophobicContact CG-CE1 3.88Å; Y914-L946 HydrophobicContact CD1-CD1 3.69Å; Y914-L946 HydrophobicContact CD1-CG 4.39Å; Y914-L946 HydrophobicContact CE1-CD1 3.13Å; Y914-L946 HydrophobicContact CE1-CG 3.84Å
915	K	80.9	Confident	80.1	Confident	130 Å²	130	52.4 Å²	52.4	57%	0.565	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.6	176.1	-176.2	-178.3	176.5	-171.8	0	109.2	L906 I907 T909 I917	L906-K915 CarbonylContact C-O 3.46Å; L906-K915 WeakPolarHBondContact CA-O 3.37Å; I907-K915 HydrophobicContact CG2-CB 4.42Å; I907-K915 PolarHBondContact N-O 2.79Å; I907-K915 PolarHBondContact O-N 2.84Å; T909-K915 HydrophobicContact CG2-CB 3.67Å; K915-I917 HydrophobicContact CG-CG1 4.41Å
916	K	82.2	Confident	79.9	Confident	127 Å²	127	58.3 Å²	58.3	55%	0.552	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.6	172.4	-169	-178.1	177.5	-172.4	0	109.5	N905 L906 D918	N905-K916 WeakPolarHBondContact O-CA 3.15Å; L906-K916 HydrophobicContact CD2-CB 4Å; K916-D918 WeakPolarHBondContact CE-OD1 3.33Å
917	I	78.2	Confident	79.7	Confident	15 Å²	15	63.3 Å²	63.3	8%	0.077	33%	0.332	C	S	.	.			trans	-131.8	121.3	-177.4	-62.7	-166.4	0	0	0	108.4	N905 I907 K915 D919 A920	N905-I917 VanDerWaalsContact CB-O 3.27Å; N905-I917 WeakPolarHBondContact CB-O 3.36Å; N905-I917 PolarHBondContact ND2-O 2.91Å; N905-I917 PolarHBondContact O-N 2.8Å; I907-I917 HydrophobicContact CB-CD1 3.66Å; I907-I917 HydrophobicContact CB-CG1 4.29Å; I907-I917 HydrophobicContact CD1-CD1 3.85Å; I907-I917 HydrophobicContact CG1-CD1 4.41Å; I907-I917 HydrophobicContact CG2-CD1 3.3Å; I907-I917 HydrophobicContact CG2-CG1 4.11Å; K915-I917 HydrophobicContact CG-CG1 4.41Å; I917-D919 WeakPolarHBondContact CG2-OD1 3.29Å; I917-A920 HydrophobicContact CB-CB 4.49Å; I917-A920 HydrophobicContact CG2-CB 3.72Å
918	D	76.4	Confident	79.7	Confident	124 Å²	124	63.2 Å²	63.2	66%	0.663	33%	0.332	S	S	*	.	S	Bend	trans	-96.5	-5.3	178.9	-60.5	-30.2	0	0	0	112.1	K916	K916-D918 WeakPolarHBondContact CE-OD1 3.33Å
919	D	79.9	Confident	80.1	Confident	87 Å²	87	62.8 Å²	62.8	47%	0.465	33%	0.332	S	S	.	.	S	Bend	trans	-106.6	7.3	-174.9	73.2	6.8	0	0	0	115	I917 L933 R934	I917-D919 WeakPolarHBondContact CG2-OD1 3.29Å; D919-L933 WeakPolarHBondContact O-CB 3.41Å; D919-R934 IonicContact OD1-CZ 3.64Å; D919-R934 IonicContact OD1-NE 2.99Å; D919-R934 PolarHBondContact OD1-NE 3.28Å; D919-R934 VanDerWaalsContact OD1-NE 3.09Å; D919-R934 IonicContact OD1-NH2 2.69Å; D919-R934 IonicContact OD2-NE 3.09Å
920	A	82.9	Confident	80.9	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	-96.7	-46.7	-175.8	0	0	0	0	0	113.6	I917 T932 L933 L936 L945	I917-A920 HydrophobicContact CB-CB 4.49Å; I917-A920 HydrophobicContact CG2-CB 3.72Å; A920-T932 CarbonylContact O-C 3.59Å; A920-T932 WeakPolarHBondContact O-CA 3.24Å; A920-L933 PolarHBondContact O-N 3.49Å; A920-L936 HydrophobicContact CB-CD2 4.17Å; A920-L945 HydrophobicContact CB-CD1 4.36Å
921	I	88.6	Confident	82.2	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.4	-173.1	-68.7	-168.5	0	0	0	110.9	I882 N905 I930 T931 L945 L947 I967	I882-I921 HydrophobicContact CD1-CD1 3.37Å; I882-I921 HydrophobicContact CD1-CG1 3.99Å; N905-I921 PolarHBondContact ND2-N 2.98Å; I921-I930 HydrophobicContact CG2-CG2 3.51Å; I921-T931 WeakPolarHBondContact CA-O 3.42Å; I921-L945 HydrophobicContact CD1-CD2 3.07Å; I921-L945 HydrophobicContact CD1-CG 4.46Å; I921-L945 HydrophobicContact CG1-CD2 3.61Å; I921-L947 HydrophobicContact CB-CD2 4.14Å; I921-L947 HydrophobicContact CD1-CD1 3.76Å; I921-L947 HydrophobicContact CD1-CD2 4.07Å; I921-L947 HydrophobicContact CD1-CG 4.28Å; I921-L947 HydrophobicContact CG2-CD1 3.97Å; I921-L947 HydrophobicContact CG2-CD2 4.13Å; I921-I967 HydrophobicContact CD1-CD1 3.31Å
922	S	86.8	Confident	83.4	Confident	50 Å²	50	59 Å²	59	35%	0.35	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.1	173.2	179.9	0	0	0	0	111.8	I930 T931	S922-I930 WeakPolarHBondContact O-CA 3.35Å; S922-T931 PolarHBondContact N-O 2.87Å; S922-T931 PolarHBondContact O-N 3.35Å
923	I	89.3	Confident	84.3	Confident	22 Å²	22	61.5 Å²	61.5	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.6	171.8	-172.9	164.7	0	0	0	112.2	M885 F900 L902 P925 L929 I930 L949	M885-I923 HydrophobicContact CE-CD1 3.21Å; F900-I923 HydrophobicContact CB-CD1 4.34Å; L902-I923 HydrophobicContact CB-CG2 3.51Å; I923-P925 WeakPolarHBondContact O-CD 3.49Å; I923-L929 VanDerWaalsContact CA-O 3.29Å; I923-L929 WeakPolarHBondContact CA-O 3.39Å; I923-I930 HydrophobicContact CB-CG1 4.5Å; I923-I930 HydrophobicContact CD1-CD1 4.47Å; I923-I930 HydrophobicContact CD1-CG1 3.97Å; I923-I930 HydrophobicContact CG1-CG1 4.18Å; I923-L949 HydrophobicContact CB-CD2 4.33Å; I923-L949 HydrophobicContact CD1-CD2 3.42Å; I923-L949 VanDerWaalsContact CD1-CD2 3.42Å; I923-L949 HydrophobicContact CG1-CD2 4.46Å; I923-L949 HydrophobicContact CG2-CD2 4.28Å
924	D	85.8	Confident	84.8	Confident	46 Å²	46	61.4 Å²	61.4	25%	0.246	31%	0.306	C	S	.	.			trans	-74.8	115.6	167.4	-173.8	-44	0	0	0	110.7	N926 K927 G928 L929	D924-N926 PolarHBondContact O-N 3.09Å; D924-N926 VanDerWaalsContact O-N 3.14Å; D924-N926 PolarHBondContact OD1-N 3.3Å; D924-K927 HydrophobicContact CB-CB 4.05Å; D924-K927 PolarHBondContact O-N 3.21Å; D924-K927 PolarHBondContact OD1-N 3.46Å; D924-K927 VanDerWaalsContact OD2-CD 3.22Å; D924-K927 WeakPolarHBondContact OD2-CD 3.21Å; D924-K927 WeakPolarHBondContact OD2-CG 3.08Å; D924-K927 IonicContact OD2-NZ 3.68Å; D924-G928 WeakPolarHBondContact O-CA 3.42Å; D924-G928 PolarHBondContact O-N 2.84Å; D924-L929 HydrophobicContact CB-CB 4.39Å; D924-L929 PolarHBondContact N-O 3.24Å
925	P	85.8	Confident	85.1	Confident	71 Å²	71	59.3 Å²	59.3	46%	0.461	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.2	-172.6	25.6	-34.1	0	0	0	114.5	F900 I923	F900-P925 WeakPolarHBondContact CD2-O 3.45Å; F900-P925 PolarHBondContact N-O 2.77Å; F900-P925 VanDerWaalsContact N-O 3.08Å; F900-P925 VanDerWaalsContact O-CA 3.28Å; F900-P925 WeakPolarHBondContact O-CA 2.98Å; F900-P925 WeakPolarHBondContact O-CB 3.31Å; I923-P925 WeakPolarHBondContact O-CD 3.49Å
926	N	83.4	Confident	85.4	Confident	130 Å²	130	53.2 Å²	53.2	70%	0.695	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-34.7	-179.9	-64.3	-22.6	0	0	0	112.1	D924	D924-N926 PolarHBondContact O-N 3.09Å; D924-N926 VanDerWaalsContact O-N 3.14Å; D924-N926 PolarHBondContact OD1-N 3.3Å
927	K	82.4	Confident	85.6	Confident	132 Å²	132	49.2 Å²	49.2	57%	0.574	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-13.5	-176.1	-56.2	-178	-165.2	150.5	0	114.3	R884 D924 L929	R884-K927 PolarHBondContact NE-O 3.21Å; D924-K927 HydrophobicContact CB-CB 4.05Å; D924-K927 PolarHBondContact O-N 3.21Å; D924-K927 PolarHBondContact OD1-N 3.46Å; D924-K927 VanDerWaalsContact OD2-CD 3.22Å; D924-K927 WeakPolarHBondContact OD2-CD 3.21Å; D924-K927 WeakPolarHBondContact OD2-CG 3.08Å; D924-K927 IonicContact OD2-NZ 3.68Å; K927-L929 VanDerWaalsContact C-N 3.31Å; K927-L929 PolarHBondContact O-N 3.13Å
928	G	85.1	Confident	85.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.			trans	69.6	17.4	178.6	0	0	0	0	0	115.2	R884 M885 D924	R884-G928 CarbonylContact C-O 3.51Å; R884-G928 VanDerWaalsContact CA-O 3.27Å; R884-G928 WeakPolarHBondContact CA-O 3.26Å; M885-G928 PolarHBondContact N-O 2.78Å; D924-G928 WeakPolarHBondContact O-CA 3.42Å; D924-G928 PolarHBondContact O-N 2.84Å
929	L	89.3	Confident	86.2	Confident	55 Å²	55	45.4 Å²	45.4	29%	0.288	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.4	-177.8	-178.4	68.3	0	0	0	111.7	R884 I923 D924 K927 T931	R884-L929 HydrophobicContact CB-CD1 4.28Å; I923-L929 VanDerWaalsContact CA-O 3.29Å; I923-L929 WeakPolarHBondContact CA-O 3.39Å; D924-L929 HydrophobicContact CB-CB 4.39Å; D924-L929 PolarHBondContact N-O 3.24Å; K927-L929 VanDerWaalsContact C-N 3.31Å; K927-L929 PolarHBondContact O-N 3.13Å; L929-T931 HydrophobicContact CG-CG2 4.43Å
930	I	89.8	Confident	86.1	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.3	-176.2	-51.8	176.1	0	0	0	111	L846 I882 A883 I921 S922 I923 L947 L949 I965	L846-I930 HydrophobicContact CD1-CD1 4.38Å; I882-I930 HydrophobicContact CB-CB 4.39Å; I882-I930 HydrophobicContact CB-CG2 4.15Å; I882-I930 HydrophobicContact CD1-CG2 4.14Å; I882-I930 PolarHBondContact N-O 3.03Å; A883-I930 WeakPolarHBondContact O-CB 3.44Å; A883-I930 PolarHBondContact O-N 2.8Å; I921-I930 HydrophobicContact CG2-CG2 3.51Å; S922-I930 WeakPolarHBondContact O-CA 3.35Å; I923-I930 HydrophobicContact CB-CG1 4.5Å; I923-I930 HydrophobicContact CD1-CD1 4.47Å; I923-I930 HydrophobicContact CD1-CG1 3.97Å; I923-I930 HydrophobicContact CG1-CG1 4.18Å; I930-L947 HydrophobicContact CG2-CD1 4.29Å; I930-L949 HydrophobicContact CD1-CD1 4.37Å; I930-L949 HydrophobicContact CD1-CD2 4.45Å; I930-I965 HydrophobicContact CD1-CD1 3.52Å
931	T	88.7	Confident	86	Confident	34 Å²	34	47.5 Å²	47.5	21%	0.209	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.4	-177.4	54.5	0	0	0	0	113.1	T880 Q881 I921 S922 L929	T880-T931 WeakPolarHBondContact O-CA 3.33Å; Q881-T931 HydrophobicContact CG-CG2 4.06Å; I921-T931 WeakPolarHBondContact CA-O 3.42Å; S922-T931 PolarHBondContact N-O 2.87Å; S922-T931 PolarHBondContact O-N 3.35Å; L929-T931 HydrophobicContact CG-CG2 4.43Å
932	T	89.5	Confident	85.6	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145.2	169.2	58.4	0	0	0	0	112	M872 P877 G879 T880 I882 A920	M872-T932 HydrophobicContact CE-CG2 4.08Å; M872-T932 HydrophobicContact SD-CG2 4.39Å; P877-T932 PolarHBondContact O-OG1 3.32Å; G879-T932 VanDerWaalsContact CA-O 3.27Å; G879-T932 WeakPolarHBondContact CA-O 3.22Å; G879-T932 PolarHBondContact N-O 3.04Å; G879-T932 PolarHBondContact N-OG1 2.82Å; T880-T932 PolarHBondContact N-OG1 3.35Å; T880-T932 PolarHBondContact O-N 3.23Å; I882-T932 HydrophobicContact CD1-CG2 3.8Å; I882-T932 HydrophobicContact CG1-CG2 4.25Å; A920-T932 CarbonylContact O-C 3.59Å; A920-T932 WeakPolarHBondContact O-CA 3.24Å
933	L	86.8	Confident	85.5	Confident	86 Å²	86	47.8 Å²	47.8	45%	0.45	25%	0.249	S	C	.	.	S	Bend	trans	-96.9	-28.3	176.9	-75.7	172.6	0	0	0	112.8	A878 D919 A920	A878-L933 WeakPolarHBondContact CB-O 3.48Å; D919-L933 WeakPolarHBondContact O-CB 3.41Å; A920-L933 PolarHBondContact O-N 3.49Å
934	R	89.3	Confident	85.3	Confident	61 Å²	61	47.9 Å²	47.9	23%	0.23	25%	0.249	C	C	.	.	S	Bend	trans	-145.7	163.1	176.9	65.5	176.5	178.2	79.2	-5.4	110.7	D919 D941	D919-R934 IonicContact OD1-CZ 3.64Å; D919-R934 IonicContact OD1-NE 2.99Å; D919-R934 PolarHBondContact OD1-NE 3.28Å; D919-R934 VanDerWaalsContact OD1-NE 3.09Å; D919-R934 IonicContact OD1-NH2 2.69Å; D919-R934 IonicContact OD2-NE 3.09Å; R934-D941 IonicContact CZ-OD1 3.85Å; R934-D941 IonicContact CZ-OD2 2.7Å; R934-D941 IonicContact NH1-OD1 2.65Å; R934-D941 PolarHBondContact NH1-OD1 2.75Å; R934-D941 IonicContact NH1-OD2 3.3Å; R934-D941 PolarHBondContact NH1-OD2 3.39Å; R934-D941 IonicContact NH2-OD1 3.47Å; R934-D941 PolarHBondContact NH2-OD1 3.31Å; R934-D941 IonicContact NH2-OD2 3.65Å; R934-D941 PolarHBondContact NH2-OD2 3.46Å
935	P	86.8	Confident	85.4	Confident	66 Å²	66	45.7 Å²	45.7	43%	0.429	24%	0.237	S	C	.	.			trans	-59.6	139.7	165.6	25.7	-33.8	0	0	0	110.6	E876	E876-P935 WeakPolarHBondContact O-CA 3.5Å; E876-P935 WeakPolarHBondContact O-CB 3.44Å
936	L	87.3	Confident	85.5	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.222	C	C	.	.			trans	-98.4	136.5	177.7	-60.2	173.3	0	0	0	108.5	M872 E874 N875 A920 D941 I969	M872-L936 HydrophobicContact SD-CD1 3.95Å; E874-L936 CarbonylContact C-O 3.56Å; E874-L936 WeakPolarHBondContact CA-O 3.39Å; E874-L936 WeakPolarHBondContact CB-O 3.17Å; N875-L936 PolarHBondContact N-O 3.16Å; A920-L936 HydrophobicContact CB-CD2 4.17Å; L936-D941 WeakPolarHBondContact CA-OD2 3.18Å; L936-I969 HydrophobicContact CB-CD1 4.18Å; L936-I969 HydrophobicContact CD1-CD1 4.03Å; L936-I969 HydrophobicContact CD1-CG1 4.28Å
937	D	84.8	Confident	85.8	Confident	43 Å²	43	37.3 Å²	37.3	23%	0.23	19%	0.189	C	C	.	.			trans	-119.3	120	-176.6	171.5	-45	0	0	0	107.7	E939 L940 D941	D937-E939 VanDerWaalsContact C-N 3.34Å; D937-E939 PolarHBondContact O-N 2.88Å; D937-E939 PolarHBondContact OD1-N 2.73Å; D937-E939 VanDerWaalsContact OD1-N 3.13Å; D937-L940 HydrophobicContact CB-CB 4.22Å; D937-L940 PolarHBondContact O-N 2.8Å; D937-L940 WeakPolarHBondContact OD1-CB 3.25Å; D937-L940 PolarHBondContact OD1-N 2.79Å; D937-L940 WeakPolarHBondContact OD2-CD1 3.38Å; D937-D941 PolarHBondContact N-OD2 2.91Å; D937-D941 WeakPolarHBondContact O-CA 3.44Å; D937-D941 WeakPolarHBondContact O-CB 3.43Å; D937-D941 PolarHBondContact O-N 3.4Å
938	R	85.1	Confident	86.1	Confident	39 Å²	39	31.6 Å²	31.6	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-71.1	-31.6	-167.8	-168	175	-169.9	-117.9	9.2	112.4	E874 G942 I969 L970 D971 L1049	E874-R938 HydrophobicContact CB-CB 4.2Å; E874-R938 HydrophobicContact CG-CB 4.5Å; E874-R938 WeakPolarHBondContact OE2-CB 3.23Å; E874-R938 PolarHBondContact OE2-N 3.35Å; R938-G942 CarbonylContact O-C 3.56Å; R938-G942 WeakPolarHBondContact O-CA 3.33Å; R938-G942 PolarHBondContact O-N 3Å; R938-I969 HydrophobicContact CB-CG2 3.96Å; R938-I969 HydrophobicContact CG-CG2 4.11Å; R938-I969 PolarHBondContact NE-O 2.86Å; R938-L970 VanDerWaalsContact CD-C 3.47Å; R938-D971 WeakPolarHBondContact CD-OD1 3.11Å; R938-D971 IonicContact CZ-OD1 3.54Å; R938-D971 IonicContact NE-OD1 2.72Å; R938-D971 IonicContact NH1-OD1 3.81Å; R938-D971 PolarHBondContact NH1-OD1 2.89Å; R938-D971 IonicContact NH1-OD2 3.46Å; R938-L1049 HydrophobicContact CG-CD1 4.39Å
939	E	82.5	Confident	86.2	Confident	20 Å²	20	31.7 Å²	31.7	9%	0.093	17%	0.165	C	C	.	.	H	α-helix	trans	-77.6	-28.8	179.9	-71.9	64.9	-125.2	0	0	112.1	C910 D937 D971 N975 C1005 Y1047	C910-E939 PolarHBondContact SG-O 3.09Å; D937-E939 VanDerWaalsContact C-N 3.34Å; D937-E939 PolarHBondContact O-N 2.88Å; D937-E939 PolarHBondContact OD1-N 2.73Å; D937-E939 VanDerWaalsContact OD1-N 3.13Å; E939-D971 VanDerWaalsContact OE1-OD1 3.09Å; E939-N975 WeakPolarHBondContact CG-ND2 3.05Å; E939-C1005 PolarHBondContact O-SG 3.15Å; E939-Y1047 VanDerWaalsContact CG-O 3.25Å; E939-Y1047 WeakPolarHBondContact CG-O 3.03Å
940	L	78.7	Confident	86.1	Confident	116 Å²	116	30.9 Å²	30.9	61%	0.607	16%	0.16	S	C	*	.	H	α-helix	trans	-94.3	-44	176.9	-66.5	-179.6	0	0	0	113.2	D937	D937-L940 HydrophobicContact CB-CB 4.22Å; D937-L940 PolarHBondContact O-N 2.8Å; D937-L940 WeakPolarHBondContact OD1-CB 3.25Å; D937-L940 PolarHBondContact OD1-N 2.79Å; D937-L940 WeakPolarHBondContact OD2-CD1 3.38Å
941	D	80.6	Confident	85.9	Confident	15 Å²	15	30.9 Å²	30.9	8%	0.08	16%	0.16	C	C	.	.	H	α-helix	trans	-87.9	-31.5	-174.6	-67.8	-42.5	0	0	0	112.2	I907 R934 L936 D937	I907-D941 HydrophobicContact CD1-CB 3.53Å; I907-D941 HydrophobicContact CG1-CB 4.33Å; I907-D941 WeakPolarHBondContact CG1-O 3.11Å; I907-D941 VanDerWaalsContact CG2-O 3.22Å; I907-D941 WeakPolarHBondContact CG2-O 3.46Å; R934-D941 IonicContact CZ-OD1 3.85Å; R934-D941 IonicContact CZ-OD2 2.7Å; R934-D941 IonicContact NH1-OD1 2.65Å; R934-D941 PolarHBondContact NH1-OD1 2.75Å; R934-D941 IonicContact NH1-OD2 3.3Å; R934-D941 PolarHBondContact NH1-OD2 3.39Å; R934-D941 IonicContact NH2-OD1 3.47Å; R934-D941 PolarHBondContact NH2-OD1 3.31Å; R934-D941 IonicContact NH2-OD2 3.65Å; R934-D941 PolarHBondContact NH2-OD2 3.46Å; L936-D941 WeakPolarHBondContact CA-OD2 3.18Å; D937-D941 PolarHBondContact N-OD2 2.91Å; D937-D941 WeakPolarHBondContact O-CA 3.44Å; D937-D941 WeakPolarHBondContact O-CB 3.43Å; D937-D941 PolarHBondContact O-N 3.4Å
942	G	80.7	Confident	85.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.01	16%	0.162	C	C	.	.			trans	96.4	-176.7	-177.3	0	0	0	0	0	113.8	K908 R938 I969	K908-G942 VanDerWaalsContact O-CA 3.31Å; K908-G942 WeakPolarHBondContact O-CA 3.48Å; R938-G942 CarbonylContact O-C 3.56Å; R938-G942 WeakPolarHBondContact O-CA 3.33Å; R938-G942 PolarHBondContact O-N 3Å; G942-I969 VanDerWaalsContact O-CD1 3.27Å; G942-I969 WeakPolarHBondContact O-CD1 3.14Å
943	N	82.8	Confident	85.6	Confident	61 Å²	61	31.7 Å²	31.7	33%	0.326	16%	0.161	S	C	.	.	S	Bend	trans	-93	-8	-163.3	72	-13.1	0	0	0	115.9	K968 I969	N943-K968 WeakPolarHBondContact O-CA 3.22Å; N943-I969 PolarHBondContact O-N 3.27Å
944	L	86.8	Confident	85.1	Confident	23 Å²	23	30.5 Å²	30.5	12%	0.12	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	123.2	-171.3	-179.7	68	0	0	0	111.2	K908 L946 H966 I967 K968	K908-L944 HydrophobicContact CB-CB 4Å; K908-L944 WeakPolarHBondContact CB-O 3.41Å; K908-L944 HydrophobicContact CD-CB 4.39Å; K908-L944 PolarHBondContact N-O 3.21Å; L944-L946 HydrophobicContact CD1-CD2 4.35Å; L944-L946 HydrophobicContact CD2-CD2 3.83Å; L944-L946 HydrophobicContact CD2-CG 4.3Å; L944-L946 HydrophobicContact CG-CD2 3.98Å; L944-L946 HydrophobicContact CG-CG 4.32Å; L944-H966 HydrophobicContact CD1-CB 3.99Å; L944-I967 WeakPolarHBondContact CA-O 3.39Å; L944-K968 HydrophobicContact CD1-CG 4.05Å
945	L	86.8	Confident	84.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.7	169.4	-169.6	82.3	0	0	0	109.4	N905 L906 I907 A920 I921 L947 H966 I967	N905-L945 WeakPolarHBondContact OD1-CD1 3.39Å; L906-L945 CarbonylContact O-C 3.56Å; L906-L945 WeakPolarHBondContact O-CA 3.34Å; I907-L945 HydrophobicContact CB-CD1 3.78Å; I907-L945 HydrophobicContact CD1-CD1 3.53Å; I907-L945 HydrophobicContact CG1-CB 4.38Å; I907-L945 HydrophobicContact CG1-CD1 3.46Å; I907-L945 VanDerWaalsContact CG1-CD1 3.46Å; A920-L945 HydrophobicContact CB-CD1 4.36Å; I921-L945 HydrophobicContact CD1-CD2 3.07Å; I921-L945 HydrophobicContact CD1-CG 4.46Å; I921-L945 HydrophobicContact CG1-CD2 3.61Å; L945-L947 HydrophobicContact CD2-CD2 4.22Å; L945-L947 HydrophobicContact CG-CD2 4.44Å; L945-H966 CarbonylContact O-C 3.59Å; L945-H966 WeakPolarHBondContact O-CA 3.33Å; L945-I967 HydrophobicContact CB-CB 4.19Å; L945-I967 HydrophobicContact CD2-CD1 4.13Å; L945-I967 PolarHBondContact N-O 3.35Å; L945-I967 PolarHBondContact O-N 3.2Å
946	L	88.6	Confident	82.9	Confident	25 Å²	25	32 Å²	32	13%	0.131	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.8	178.8	-62.3	-178.9	0	0	0	109	L906 Y914 L944 H966	L906-L946 HydrophobicContact CB-CB 4.22Å; L906-L946 PolarHBondContact N-O 2.85Å; L906-L946 PolarHBondContact O-N 3.23Å; Y914-L946 HydrophobicContact CD1-CD1 3.69Å; Y914-L946 HydrophobicContact CD1-CG 4.39Å; Y914-L946 HydrophobicContact CE1-CD1 3.13Å; Y914-L946 HydrophobicContact CE1-CG 3.84Å; L944-L946 HydrophobicContact CD1-CD2 4.35Å; L944-L946 HydrophobicContact CD2-CD2 3.83Å; L944-L946 HydrophobicContact CD2-CG 4.3Å; L944-L946 HydrophobicContact CG-CD2 3.98Å; L944-L946 HydrophobicContact CG-CG 4.32Å; L946-H966 HydrophobicContact CD2-CB 4.33Å; L946-H966 WeakPolarHBondContact CD2-CD2 3.47Å; L946-H966 WeakPolarHBondContact CD2-CE1 2.96Å; L946-H966 VanDerWaalsContact CD2-CG 3.45Å; L946-H966 WeakPolarHBondContact CD2-ND1 3.42Å; L946-H966 VanDerWaalsContact CD2-NE2 3.29Å; L946-H966 WeakPolarHBondContact CD2-NE2 3.1Å
947	L	89.1	Confident	81.4	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.2	170.7	-54.3	174	0	0	0	109	L902 Q904 N905 I921 I930 L945 L949 H964 I965 I967	L902-L947 HydrophobicContact CD1-CB 4.12Å; L902-L947 HydrophobicContact CD1-CD2 3.93Å; Q904-L947 CarbonylContact O-C 3.52Å; Q904-L947 VanDerWaalsContact O-CA 3.28Å; Q904-L947 WeakPolarHBondContact O-CA 3.5Å; N905-L947 HydrophobicContact CB-CD2 4.06Å; N905-L947 WeakPolarHBondContact OD1-CD2 3.08Å; I921-L947 HydrophobicContact CB-CD2 4.14Å; I921-L947 HydrophobicContact CD1-CD1 3.76Å; I921-L947 HydrophobicContact CD1-CD2 4.07Å; I921-L947 HydrophobicContact CD1-CG 4.28Å; I921-L947 HydrophobicContact CG2-CD1 3.97Å; I921-L947 HydrophobicContact CG2-CD2 4.13Å; I930-L947 HydrophobicContact CG2-CD1 4.29Å; L945-L947 HydrophobicContact CD2-CD2 4.22Å; L945-L947 HydrophobicContact CG-CD2 4.44Å; L947-L949 HydrophobicContact CB-CD1 3.92Å; L947-H964 CarbonylContact O-C 3.51Å; L947-H964 VanDerWaalsContact O-CA 3.29Å; L947-H964 WeakPolarHBondContact O-CA 3.36Å; L947-I965 HydrophobicContact CB-CB 4.17Å; L947-I965 HydrophobicContact CD1-CB 4.32Å; L947-I965 PolarHBondContact N-O 2.7Å; L947-I965 PolarHBondContact O-N 3.21Å; L947-I967 HydrophobicContact CD1-CD1 3.67Å; L947-I967 HydrophobicContact CG-CD1 4.26Å
948	T	88.1	Confident	80.9	Confident	12 Å²	12	37.7 Å²	37.7	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.5	164.1	-52	0	0	0	0	108.1	I903 Q904 I963 H964	I903-T948 PolarHBondContact N-O 2.74Å; Q904-T948 PolarHBondContact N-O 3.27Å; Q904-T948 VanDerWaalsContact N-O 3.14Å; Q904-T948 PolarHBondContact O-N 2.97Å; Q904-T948 PolarHBondContact OE1-OG1 3.05Å; T948-I963 WeakPolarHBondContact CA-O 3.5Å; T948-H964 WeakPolarHBondContact CG2-CE1 3.23Å; T948-H964 WeakPolarHBondContact CG2-ND1 2.97Å; T948-H964 PolarHBondContact OG1-CE1 3.28Å; T948-H964 PolarHBondContact OG1-ND1 3.2Å
949	L	88.5	Confident	80.7	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.8	179.4	-57.3	119.2	0	0	0	108.6	M885 I901 L902 I923 I930 L947 T962 I963 I965	M885-L949 HydrophobicContact CE-CB 3.87Å; M885-L949 HydrophobicContact CE-CD2 3.72Å; M885-L949 HydrophobicContact CE-CG 4.25Å; M885-L949 HydrophobicContact SD-CB 4.21Å; M885-L949 HydrophobicContact SD-CD1 4.43Å; I901-L949 CarbonylContact O-C 3.55Å; I901-L949 VanDerWaalsContact O-CA 3.27Å; I901-L949 WeakPolarHBondContact O-CA 3.35Å; L902-L949 HydrophobicContact CB-CD2 4.12Å; L902-L949 HydrophobicContact CD1-CD2 3.89Å; L902-L949 HydrophobicContact CD1-CG 3.93Å; I923-L949 HydrophobicContact CB-CD2 4.33Å; I923-L949 HydrophobicContact CD1-CD2 3.42Å; I923-L949 VanDerWaalsContact CD1-CD2 3.42Å; I923-L949 HydrophobicContact CG1-CD2 4.46Å; I923-L949 HydrophobicContact CG2-CD2 4.28Å; I930-L949 HydrophobicContact CD1-CD1 4.37Å; I930-L949 HydrophobicContact CD1-CD2 4.45Å; L947-L949 HydrophobicContact CB-CD1 3.92Å; L949-T962 CarbonylContact O-C 3.2Å; L949-T962 WeakPolarHBondContact O-CA 3.21Å; L949-I963 PolarHBondContact N-O 2.93Å; L949-I963 PolarHBondContact O-N 3.49Å; L949-I965 HydrophobicContact CD1-CB 4.49Å; L949-I965 HydrophobicContact CD1-CD1 3.47Å; L949-I965 VanDerWaalsContact CD1-CD1 3.47Å; L949-I965 HydrophobicContact CD1-CG1 3.72Å
950	H	86.4	Confident	80.7	Confident	37 Å²	37	40.5 Å²	40.5	17%	0.171	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.9	173.3	-77.8	-122.3	0	0	0	109.8	I901 I903 T960 T961 T962	I901-H950 PolarHBondContact N-O 3.07Å; I901-H950 PolarHBondContact O-N 2.77Å; I903-H950 HydrophobicContact CD1-CB 3.69Å; I903-H950 WeakPolarHBondContact CD1-CD2 3.17Å; I903-H950 HydrophobicContact CG1-CB 4.05Å; I903-H950 VanDerWaalsContact CG1-CD2 3.45Å; I903-H950 WeakPolarHBondContact CG1-CD2 3.46Å; H950-T960 WeakPolarHBondContact ND1-CB 3.4Å; H950-T960 PolarHBondContact ND1-OG1 2.71Å; H950-T961 WeakPolarHBondContact CA-O 3.33Å; H950-T962 WeakPolarHBondContact CE1-CG2 3.41Å; H950-T962 VanDerWaalsContact NE2-CG2 3.34Å; H950-T962 WeakPolarHBondContact NE2-CG2 3.49Å
951	I	86.9	Confident	80.9	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.2	159.5	-70.7	158.1	0	0	0	105.8	P842 V844 I898 T899 F900 T960 T961	P842-I951 HydrophobicContact CB-CG2 3.88Å; P842-I951 HydrophobicContact CG-CB 4.47Å; P842-I951 HydrophobicContact CG-CG2 3.9Å; P842-I951 VanDerWaalsContact CG-O 3.32Å; P842-I951 WeakPolarHBondContact CG-O 3.37Å; V844-I951 HydrophobicContact CB-CD1 3.23Å; V844-I951 HydrophobicContact CG1-CD1 3.97Å; V844-I951 HydrophobicContact CG2-CD1 2.96Å; V844-I951 HydrophobicContact CG2-CG1 4.43Å; I898-I951 HydrophobicContact CB-CG2 3.76Å; I898-I951 HydrophobicContact CD1-CG2 4.09Å; I898-I951 HydrophobicContact CG1-CG2 4.49Å; I898-I951 HydrophobicContact CG2-CG2 4Å; T899-I951 WeakPolarHBondContact O-CA 3.43Å; F900-I951 HydrophobicContact CD1-CD1 3.63Å; F900-I951 HydrophobicContact CD1-CG1 3.36Å; F900-I951 HydrophobicContact CE1-CD1 3.47Å; F900-I951 VanDerWaalsContact CE1-CD1 3.47Å; F900-I951 HydrophobicContact CE1-CG1 3.67Å; F900-I951 HydrophobicContact CG-CG1 4.32Å; I951-T960 CarbonylContact O-C 3.58Å; I951-T960 WeakPolarHBondContact O-CA 3.4Å; I951-T960 WeakPolarHBondContact O-CB 3.15Å; I951-T961 PolarHBondContact N-O 2.89Å; I951-T961 PolarHBondContact O-N 3.46Å
952	Q	86.3	Confident	81.1	Confident	53 Å²	53	35.7 Å²	35.7	25%	0.248	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.8	-179.7	67	175	13.8	0	0	109.9	I898 T899 I901 I958 Y959 T960	I898-Q952 CarbonylContact C-O 3.27Å; I898-Q952 VanDerWaalsContact CA-O 3.22Å; I898-Q952 WeakPolarHBondContact CA-O 3.14Å; T899-Q952 PolarHBondContact N-O 2.9Å; T899-Q952 PolarHBondContact O-N 2.9Å; T899-Q952 VanDerWaalsContact O-N 3.09Å; T899-Q952 WeakPolarHBondContact OG1-CG 3.36Å; T899-Q952 PolarHBondContact OG1-NE2 2.72Å; T899-Q952 VanDerWaalsContact OG1-NE2 3.07Å; I901-Q952 HydrophobicContact CD1-CG 3.99Å; I901-Q952 VanDerWaalsContact CD1-NE2 3.29Å; Q952-I958 HydrophobicContact CB-CG2 3.75Å; Q952-Y959 WeakPolarHBondContact CA-O 3.35Å; Q952-T960 HydrophobicContact CB-CG2 3.54Å
953	D	84.1	Confident	81.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.			trans	-73.8	-176.5	162.9	75.8	23	0	0	0	110.7	N838 P842 D889 A895 R897 G955 I958 Y959	N838-D953 PolarHBondContact ND2-OD2 3.25Å; P842-D953 HydrophobicContact CG-CB 4.41Å; D889-D953 WeakPolarHBondContact OD2-CB 3.47Å; A895-D953 VanDerWaalsContact O-CB 3.27Å; A895-D953 WeakPolarHBondContact O-CB 3.43Å; R897-D953 CarbonylContact O-C 3.48Å; R897-D953 VanDerWaalsContact O-C 3.27Å; R897-D953 WeakPolarHBondContact O-CA 2.81Å; D953-G955 PolarHBondContact OD1-N 3.26Å; D953-I958 WeakPolarHBondContact O-CG2 3.41Å; D953-I958 VanDerWaalsContact OD1-CA 3.26Å; D953-I958 WeakPolarHBondContact OD1-CA 3.33Å; D953-Y959 PolarHBondContact N-O 2.81Å; D953-Y959 PolarHBondContact OD1-N 2.88Å; D953-Y959 WeakPolarHBondContact OD2-CA 3.22Å; D953-Y959 WeakPolarHBondContact OD2-CB 3.12Å; D953-Y959 PolarHBondContact OD2-N 3.49Å; D953-Y959 VanDerWaalsContact OD2-N 3.09Å
954	H	76.9	Confident	81.5	Confident	61 Å²	61	35.1 Å²	35.1	28%	0.282	18%	0.182	S	C	.	.	S	Bend	trans	-116.7	24.6	171	-60.5	65	0	0	0	112.1	D894 R897	D894-H954 HydrophobicContact CB-CB 4.3Å; D894-H954 CarbonylContact O-C 3.52Å; D894-H954 VanDerWaalsContact O-C 3.23Å; D894-H954 WeakPolarHBondContact O-CA 3.16Å; D894-H954 VanDerWaalsContact O-CB 3.3Å; D894-H954 WeakPolarHBondContact O-CB 3.43Å; D894-H954 PolarHBondContact O-N 2.81Å; R897-H954 PolarHBondContact O-N 3.28Å; R897-H954 PolarHBondContact O-ND1 3.43Å
955	G	71.2	Confident	81.5	Confident	5 Å²	5	34 Å²	34	5%	0.052	18%	0.176	C	C	.	.	S	Bend	trans	-76.9	174.4	176.6	0	0	0	0	0	112.7	D953 P957 I958	D953-G955 PolarHBondContact OD1-N 3.26Å; G955-P957 CarbonylContact C-O 3.48Å; G955-P957 CarbonylContact O-C 3.46Å; G955-I958 WeakPolarHBondContact O-CA 3.32Å; G955-I958 WeakPolarHBondContact O-CG1 3.43Å; G955-I958 PolarHBondContact O-N 3.45Å
956	I	58.3	Low	81.6	Confident	155 Å²	155	35.7 Å²	35.7	80%	0.795	18%	0.184	S	C	*	.	S	Bend	trans	-124.9	115.5	173.9	-55.7	172.8	0	0	0	108.6
957	P	56.5	Low	81.6	Confident	72 Å²	72	34.5 Å²	34.5	47%	0.468	18%	0.178	S	C	.	.	S	Bend	cis	-65.2	153	-6.7	31	-35.3	0	0	0	110.9	N838 G955 Y959	N838-P957 PolarHBondContact ND2-O 3.05Å; G955-P957 CarbonylContact C-O 3.48Å; G955-P957 CarbonylContact O-C 3.46Å; P957-Y959 HydrophobicContact CG-CE1 3.98Å; P957-Y959 PolarHBondContact O-N 3.01Å
958	I	75.1	Confident	81.4	Confident	91 Å²	91	37.9 Å²	37.9	47%	0.467	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-62.6	120.4	174.1	-68.2	169.8	0	0	0	107.6	Q952 D953 G955 T960	Q952-I958 HydrophobicContact CB-CG2 3.75Å; D953-I958 WeakPolarHBondContact O-CG2 3.41Å; D953-I958 VanDerWaalsContact OD1-CA 3.26Å; D953-I958 WeakPolarHBondContact OD1-CA 3.33Å; G955-I958 WeakPolarHBondContact O-CA 3.32Å; G955-I958 WeakPolarHBondContact O-CG1 3.43Å; G955-I958 PolarHBondContact O-N 3.45Å; I958-T960 HydrophobicContact CG2-CG2 3.92Å
959	Y	80.5	Confident	81.4	Confident	69 Å²	69	37.4 Å²	37.4	27%	0.271	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-88	142.5	167.2	-65.1	-42.2	0	0	0	111.4	N838 P841 Q952 D953 P957	N838-Y959 HydrophobicContact CB-CD2 4.24Å; N838-Y959 HydrophobicContact CB-CE2 3.98Å; N838-Y959 VanDerWaalsContact CG-CD2 3.48Å; N838-Y959 WeakPolarHBondContact ND2-CD2 3.34Å; N838-Y959 WeakPolarHBondContact O-CE2 3.43Å; N838-Y959 PolarHBondContact O-OH 3.26Å; P841-Y959 HydrophobicContact CB-CG 4.44Å; Q952-Y959 WeakPolarHBondContact CA-O 3.35Å; D953-Y959 PolarHBondContact N-O 2.81Å; D953-Y959 PolarHBondContact OD1-N 2.88Å; D953-Y959 WeakPolarHBondContact OD2-CA 3.22Å; D953-Y959 WeakPolarHBondContact OD2-CB 3.12Å; D953-Y959 PolarHBondContact OD2-N 3.49Å; D953-Y959 VanDerWaalsContact OD2-N 3.09Å; P957-Y959 HydrophobicContact CG-CE1 3.98Å; P957-Y959 PolarHBondContact O-N 3.01Å
960	T	82	Confident	81.2	Confident	50 Å²	50	39.5 Å²	39.5	31%	0.307	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.7	177.8	74.3	0	0	0	0	110.3	H950 I951 Q952 I958	H950-T960 WeakPolarHBondContact ND1-CB 3.4Å; H950-T960 PolarHBondContact ND1-OG1 2.71Å; I951-T960 CarbonylContact O-C 3.58Å; I951-T960 WeakPolarHBondContact O-CA 3.4Å; I951-T960 WeakPolarHBondContact O-CB 3.15Å; Q952-T960 HydrophobicContact CB-CG2 3.54Å; I958-T960 HydrophobicContact CG2-CG2 3.92Å
961	T	82.9	Confident	81.1	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.2	167.4	-72	0	0	0	0	109.5	P842 V844 H950 I951	P842-T961 WeakPolarHBondContact O-CB 3.16Å; P842-T961 PolarHBondContact O-OG1 2.87Å; V844-T961 HydrophobicContact CG1-CG2 3.65Å; H950-T961 WeakPolarHBondContact CA-O 3.33Å; I951-T961 PolarHBondContact N-O 2.89Å; I951-T961 PolarHBondContact O-N 3.46Å
962	T	84.9	Confident	80.9	Confident	28 Å²	28	42 Å²	42	17%	0.172	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.3	-173.7	61	0	0	0	0	110.4	S864 N865 K866 L949 H950	S864-T962 PolarHBondContact O-N 2.79Å; S864-T962 VanDerWaalsContact O-N 3.13Å; S864-T962 PolarHBondContact O-OG1 3.37Å; N865-T962 WeakPolarHBondContact CA-O 3.17Å; N865-T962 PolarHBondContact OD1-O 2.74Å; N865-T962 PolarHBondContact OD1-OG1 2.04Å; K866-T962 PolarHBondContact N-O 2.87Å; L949-T962 CarbonylContact O-C 3.2Å; L949-T962 WeakPolarHBondContact O-CA 3.21Å; H950-T962 WeakPolarHBondContact CE1-CG2 3.41Å; H950-T962 VanDerWaalsContact NE2-CG2 3.34Å; H950-T962 WeakPolarHBondContact NE2-CG2 3.49Å
963	I	85.1	Confident	80.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.1	168.5	-65.1	172	0	0	0	108	V844 K866 Y868 M885 T948 L949 I965	V844-I963 HydrophobicContact CB-CD1 3.94Å; V844-I963 HydrophobicContact CG1-CD1 3.38Å; V844-I963 HydrophobicContact CG1-CG1 3.66Å; V844-I963 HydrophobicContact CG2-CD1 3.27Å; V844-I963 HydrophobicContact CG2-CG1 4.43Å; K866-I963 HydrophobicContact CB-CG1 4.3Å; K866-I963 VanDerWaalsContact O-CA 3.3Å; K866-I963 WeakPolarHBondContact O-CA 3.12Å; K866-I963 WeakPolarHBondContact O-CG2 3.14Å; Y868-I963 HydrophobicContact CD2-CG2 3.65Å; Y868-I963 HydrophobicContact CE2-CG2 3.92Å; M885-I963 HydrophobicContact CG-CD1 4.43Å; M885-I963 HydrophobicContact SD-CD1 3.43Å; M885-I963 WeakPolarHBondContact SD-CD1 3.49Å; T948-I963 WeakPolarHBondContact CA-O 3.5Å; L949-I963 PolarHBondContact N-O 2.93Å; L949-I963 PolarHBondContact O-N 3.49Å; I963-I965 HydrophobicContact CG2-CD1 4.43Å; I963-I965 HydrophobicContact CG2-CG1 3.78Å
964	H	86.8	Confident	80.3	Confident	50 Å²	50	43.7 Å²	43.7	23%	0.231	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121	168.2	-59.4	-65.9	0	0	0	109.8	N865 K866 K867 Y868 L947 T948	N865-H964 PolarHBondContact ND2-CD2 2.04Å; N865-H964 PolarHBondContact ND2-NE2 2.79Å; N865-H964 PolarHBondContact OD1-CD2 3.39Å; N865-H964 PolarHBondContact OD1-NE2 3.12Å; N865-H964 VanDerWaalsContact OD1-NE2 3.17Å; K866-H964 PolarHBondContact O-N 2.68Å; K867-H964 CarbonylContact C-O 3.54Å; K867-H964 VanDerWaalsContact CA-O 3.28Å; K867-H964 WeakPolarHBondContact CA-O 3.08Å; K867-H964 HydrophobicContact CG-CB 4.36Å; Y868-H964 PolarHBondContact N-O 2.86Å; L947-H964 CarbonylContact O-C 3.51Å; L947-H964 VanDerWaalsContact O-CA 3.29Å; L947-H964 WeakPolarHBondContact O-CA 3.36Å; T948-H964 WeakPolarHBondContact CG2-CE1 3.23Å; T948-H964 WeakPolarHBondContact CG2-ND1 2.97Å; T948-H964 PolarHBondContact OG1-CE1 3.28Å; T948-H964 PolarHBondContact OG1-ND1 3.2Å
965	I	87.8	Confident	80.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.8	172.9	-51.1	-178.5	0	0	0	108	L846 Y868 I870 I930 L947 L949 I963 I967	L846-I965 HydrophobicContact CD1-CD1 3.92Å; L846-I965 HydrophobicContact CD2-CD1 4.17Å; Y868-I965 CarbonylContact O-C 3.38Å; Y868-I965 WeakPolarHBondContact O-CA 3.1Å; I870-I965 HydrophobicContact CD1-CG2 3.64Å; I870-I965 HydrophobicContact CG1-CG2 4.06Å; I930-I965 HydrophobicContact CD1-CD1 3.52Å; L947-I965 HydrophobicContact CB-CB 4.17Å; L947-I965 HydrophobicContact CD1-CB 4.32Å; L947-I965 PolarHBondContact N-O 2.7Å; L947-I965 PolarHBondContact O-N 3.21Å; L949-I965 HydrophobicContact CD1-CB 4.49Å; L949-I965 HydrophobicContact CD1-CD1 3.47Å; L949-I965 VanDerWaalsContact CD1-CD1 3.47Å; L949-I965 HydrophobicContact CD1-CG1 3.72Å; I963-I965 HydrophobicContact CG2-CD1 4.43Å; I963-I965 HydrophobicContact CG2-CG1 3.78Å; I965-I967 HydrophobicContact CG2-CD1 4.44Å; I965-I967 HydrophobicContact CG2-CG1 3.95Å
966	H	88.8	Confident	80.8	Confident	35 Å²	35	43.6 Å²	43.6	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107.6	176.5	-77.9	-141.1	0	0	0	108.1	K867 Y868 E869 I870 L944 L945 L946	K867-H966 WeakPolarHBondContact CE-CE1 2.94Å; K867-H966 WeakPolarHBondContact CE-ND1 3.19Å; K867-H966 VanDerWaalsContact CE-NE2 3.33Å; K867-H966 WeakPolarHBondContact CE-NE2 3.46Å; K867-H966 PolarHBondContact NZ-CE1 2.48Å; Y868-H966 PolarHBondContact O-N 2.84Å; E869-H966 CarbonylContact C-O 3.55Å; E869-H966 WeakPolarHBondContact CA-O 3.22Å; E869-H966 HydrophobicContact CG-CB 3.68Å; I870-H966 PolarHBondContact N-O 2.83Å; L944-H966 HydrophobicContact CD1-CB 3.99Å; L945-H966 CarbonylContact O-C 3.59Å; L945-H966 WeakPolarHBondContact O-CA 3.33Å; L946-H966 HydrophobicContact CD2-CB 4.33Å; L946-H966 WeakPolarHBondContact CD2-CD2 3.47Å; L946-H966 WeakPolarHBondContact CD2-CE1 2.96Å; L946-H966 VanDerWaalsContact CD2-CG 3.45Å; L946-H966 WeakPolarHBondContact CD2-ND1 3.42Å; L946-H966 VanDerWaalsContact CD2-NE2 3.29Å; L946-H966 WeakPolarHBondContact CD2-NE2 3.1Å
967	I	88.1	Confident	82	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	107.4	177.8	-57.5	163.4	0	0	0	107.7	I870 M872 I882 I921 L944 L945 L947 I965	I870-I967 HydrophobicContact CB-CG1 4.29Å; I870-I967 CarbonylContact O-C 3.23Å; I870-I967 VanDerWaalsContact O-CA 3.26Å; I870-I967 WeakPolarHBondContact O-CA 3.05Å; M872-I967 HydrophobicContact CG-CG2 4.06Å; M872-I967 HydrophobicContact SD-CG2 4Å; I882-I967 HydrophobicContact CD1-CD1 4.06Å; I882-I967 HydrophobicContact CG2-CD1 4.08Å; I921-I967 HydrophobicContact CD1-CD1 3.31Å; L944-I967 WeakPolarHBondContact CA-O 3.39Å; L945-I967 HydrophobicContact CB-CB 4.19Å; L945-I967 HydrophobicContact CD2-CD1 4.13Å; L945-I967 PolarHBondContact N-O 3.35Å; L945-I967 PolarHBondContact O-N 3.2Å; L947-I967 HydrophobicContact CD1-CD1 3.67Å; L947-I967 HydrophobicContact CG-CD1 4.26Å; I965-I967 HydrophobicContact CG2-CD1 4.44Å; I965-I967 HydrophobicContact CG2-CG1 3.95Å
968	K	85.2	Confident	83	Confident	71 Å²	71	34.4 Å²	34.4	31%	0.309	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.2	174.6	-73.2	171.1	175.1	163.3	0	109	E869 I870 E871 M872 N943 L944	E869-K968 WeakPolarHBondContact OE2-CE 3.42Å; E869-K968 IonicContact OE2-NZ 3.99Å; E869-K968 PolarHBondContact OE2-NZ 3.19Å; I870-K968 PolarHBondContact O-N 2.88Å; E871-K968 WeakPolarHBondContact CA-O 3.32Å; E871-K968 HydrophobicContact CG-CB 3.92Å; E871-K968 HydrophobicContact CG-CD 4.06Å; M872-K968 PolarHBondContact N-O 2.74Å; N943-K968 WeakPolarHBondContact O-CA 3.22Å; L944-K968 HydrophobicContact CD1-CG 4.05Å
969	I	87.2	Confident	83	Confident	2 Å²	2	31 Å²	31	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.9	174.3	-57.8	163.1	0	0	0	107.2	M872 E874 L936 R938 G942 N943	M872-I969 CarbonylContact O-C 3.53Å; M872-I969 VanDerWaalsContact O-CA 3.32Å; M872-I969 WeakPolarHBondContact O-CA 3.26Å; E874-I969 HydrophobicContact CB-CG2 3.8Å; L936-I969 HydrophobicContact CB-CD1 4.18Å; L936-I969 HydrophobicContact CD1-CD1 4.03Å; L936-I969 HydrophobicContact CD1-CG1 4.28Å; R938-I969 HydrophobicContact CB-CG2 3.96Å; R938-I969 HydrophobicContact CG-CG2 4.11Å; R938-I969 PolarHBondContact NE-O 2.86Å; G942-I969 VanDerWaalsContact O-CD1 3.27Å; G942-I969 WeakPolarHBondContact O-CD1 3.14Å; N943-I969 PolarHBondContact O-N 3.27Å
970	L	83.8	Confident	82.6	Confident	46 Å²	46	31 Å²	31	24%	0.241	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141	-177.5	-56.8	178.5	0	0	0	111.1	E871 M872 Y873 E874 R938	E871-L970 HydrophobicContact CB-CD1 4.28Å; M872-L970 PolarHBondContact O-N 2.79Å; Y873-L970 HydrophobicContact CD1-CB 3.62Å; Y873-L970 HydrophobicContact CD1-CD1 4.18Å; Y873-L970 HydrophobicContact CD2-CD1 4.29Å; Y873-L970 HydrophobicContact CE1-CB 3.82Å; Y873-L970 HydrophobicContact CE1-CD1 3.88Å; Y873-L970 HydrophobicContact CE2-CD1 4Å; Y873-L970 HydrophobicContact CG-CB 4.21Å; Y873-L970 HydrophobicContact CG-CD1 4.38Å; E874-L970 PolarHBondContact N-O 2.76Å; R938-L970 VanDerWaalsContact CD-C 3.47Å
971	D	84.5	Confident	81.8	Confident	24 Å²	24	31 Å²	31	13%	0.128	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-66.8	144.9	-178.6	-144.8	55	0	0	0	112.7	E874 R938 E939 L1049 N1052	E874-D971 WeakPolarHBondContact OE1-CA 3.41Å; R938-D971 WeakPolarHBondContact CD-OD1 3.11Å; R938-D971 IonicContact CZ-OD1 3.54Å; R938-D971 IonicContact NE-OD1 2.72Å; R938-D971 IonicContact NH1-OD1 3.81Å; R938-D971 PolarHBondContact NH1-OD1 2.89Å; R938-D971 IonicContact NH1-OD2 3.46Å; E939-D971 VanDerWaalsContact OE1-OD1 3.09Å; D971-L1049 PolarHBondContact OD2-N 2.78Å; D971-L1049 VanDerWaalsContact OD2-O 3.09Å; D971-N1052 WeakPolarHBondContact OD2-CB 3.23Å; D971-N1052 PolarHBondContact OD2-ND2 3.5Å
972	I	83.7	Confident	80.6	Confident	69 Å²	69	34.4 Å²	34.4	35%	0.354	18%	0.181	S	C	.	.			trans	-124.4	133	161.3	-61.9	176.5	0	0	0	106.4	Y873 E874 D974	Y873-I972 HydrophobicContact CD1-CG1 4.28Å; E874-I972 HydrophobicContact CG-CB 4.16Å; E874-I972 HydrophobicContact CG-CD1 3.82Å; E874-I972 HydrophobicContact CG-CG1 3.89Å; E874-I972 PolarHBondContact OE1-N 3.34Å; I972-D974 PolarHBondContact O-N 2.89Å
973	N	80.1	Confident	79.7	Confident	17 Å²	17	33.7 Å²	33.7	9%	0.091	18%	0.176	C	C	.	.			trans	-69.5	96.1	174.1	-178.7	-17.7	0	0	0	109.8	N975 D1048 N1052 D1111 G1113 I1116 H1118	N973-N975 PolarHBondContact OD1-O 2.97Å; N973-D1048 VanDerWaalsContact CA-OD2 3.27Å; N973-D1048 WeakPolarHBondContact CA-OD2 3.29Å; N973-D1048 PolarHBondContact OD1-OD2 3.03Å; N973-N1052 HydrophobicContact CB-CB 4.01Å; N973-D1111 PolarHBondContact ND2-OD2 2.82Å; N973-G1113 VanDerWaalsContact ND2-CA 3.32Å; N973-G1113 WeakPolarHBondContact ND2-CA 3.37Å; N973-I1116 PolarHBondContact ND2-O 3Å; N973-H1118 PolarHBondContact OD1-CE1 3.2Å; N973-H1118 PolarHBondContact OD1-ND1 2.58Å
974	D	78	Confident	78.5	Confident	70 Å²	70	39.8 Å²	39.8	37%	0.374	20%	0.2	S	C	.	.			trans	-124.9	-0.9	174.2	75.3	0.2	0	0	0	114.2	I972 D1048	I972-D974 PolarHBondContact O-N 2.89Å; D974-D1048 PolarHBondContact N-OD1 2.83Å
975	N	79	Confident	77.5	Confident	41 Å²	41	40.4 Å²	40.4	22%	0.219	21%	0.21	C	C	.	.			trans	-109.6	137.2	175.2	-58.6	-82.3	0	0	0	112.9	E939 N973 D1048	E939-N975 WeakPolarHBondContact CG-ND2 3.05Å; N973-N975 PolarHBondContact OD1-O 2.97Å; N975-D1048 WeakPolarHBondContact CB-OD1 3.36Å; N975-D1048 PolarHBondContact N-OD1 2.87Å; N975-D1048 PolarHBondContact ND2-OD1 3.41Å
976	P	78.6	Confident	76.2	Confident	24 Å²	24	40.9 Å²	40.9	16%	0.156	21%	0.213	C	C	.	.			trans	-97.5	156.8	176.7	37.5	-38.9	0	0	0	114.1	I978 H1118 Y1151	P976-I978 WeakPolarHBondContact O-CG1 3.5Å; P976-H1118 HydrophobicContact CB-CB 3.5Å; P976-Y1151 HydrophobicContact CB-CD1 3.19Å; P976-Y1151 HydrophobicContact CB-CE1 3.2Å; P976-Y1151 HydrophobicContact CB-CG 4.1Å; P976-Y1151 HydrophobicContact CG-CD1 3.3Å; P976-Y1151 HydrophobicContact CG-CD2 4.23Å; P976-Y1151 HydrophobicContact CG-CE1 3.03Å; P976-Y1151 HydrophobicContact CG-CE2 3.99Å; P976-Y1151 HydrophobicContact CG-CG 3.89Å
977	P	83.2	Confident	74.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.			trans	-63.7	139.4	177.9	-18.9	26.4	0	0	0	113.7	I1045 D1046 I1055 A1109 D1111 S1120	P977-I1045 CarbonylContact C-O 3.59Å; P977-I1045 WeakPolarHBondContact CA-O 3.29Å; P977-D1046 VanDerWaalsContact CD-OD2 3.22Å; P977-D1046 WeakPolarHBondContact CD-OD2 3.39Å; P977-D1046 VanDerWaalsContact CG-OD2 3.27Å; P977-D1046 WeakPolarHBondContact CG-OD2 3.45Å; P977-I1055 HydrophobicContact CB-CD1 4.14Å; P977-I1055 HydrophobicContact CB-CG1 4.25Å; P977-I1055 HydrophobicContact CB-CG2 4.35Å; P977-I1055 HydrophobicContact CG-CG1 4.35Å; P977-A1109 HydrophobicContact CB-CB 4.37Å; P977-D1111 HydrophobicContact CG-CB 3.84Å; P977-S1120 WeakPolarHBondContact O-CB 3.21Å; P977-S1120 PolarHBondContact O-OG 2.61Å
978	I	76.9	Confident	72.3	Confident	33 Å²	33	50.2 Å²	50.2	17%	0.169	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.9	-178.7	-50.7	-175.2	0	0	0	110.5	P976 T1044 I1045 Y1047	P976-I978 WeakPolarHBondContact O-CG1 3.5Å; I978-T1044 CarbonylContact O-C 3.55Å; I978-T1044 WeakPolarHBondContact O-CA 3.44Å; I978-T1044 VanDerWaalsContact O-CB 3.31Å; I978-T1044 WeakPolarHBondContact O-CB 3.06Å; I978-I1045 HydrophobicContact CB-CG1 4.23Å; I978-I1045 PolarHBondContact N-O 3.07Å; I978-I1045 PolarHBondContact O-N 3.5Å; I978-Y1047 HydrophobicContact CD1-CD2 4.26Å; I978-Y1047 HydrophobicContact CD1-CE2 3.83Å
979	F	75.7	Confident	69.9	Low	20 Å²	20	54.4 Å²	54.4	9%	0.088	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.7	176	-74.6	-88.4	0	0	0	112.7	F1042 T1044 Y1057 I1107 A1109 S1120 L1122	F979-F1042 HydrophobicContact CE1-CB 4.35Å; F979-T1044 HydrophobicContact CB-CG2 4Å; F979-T1044 HydrophobicContact CD1-CG2 3.23Å; F979-T1044 HydrophobicContact CD2-CG2 3.9Å; F979-T1044 HydrophobicContact CE1-CG2 3.53Å; F979-T1044 HydrophobicContact CE2-CG2 4.16Å; F979-T1044 HydrophobicContact CG-CG2 3.43Å; F979-T1044 VanDerWaalsContact CG-CG2 3.43Å; F979-T1044 HydrophobicContact CZ-CG2 4Å; F979-Y1057 HydrophobicContact CE1-CD1 4.34Å; F979-Y1057 HydrophobicContact CE1-CE1 4.18Å; F979-I1107 HydrophobicContact CE1-CG2 3.93Å; F979-I1107 HydrophobicContact CZ-CB 4.49Å; F979-I1107 HydrophobicContact CZ-CG2 3.98Å; F979-I1107 WeakPolarHBondContact CZ-O 3.46Å; F979-A1109 HydrophobicContact CE1-CB 4.03Å; F979-A1109 HydrophobicContact CE2-CB 3.72Å; F979-A1109 HydrophobicContact CZ-CB 3.41Å; F979-A1109 VanDerWaalsContact CZ-CB 3.41Å; F979-S1120 WeakPolarHBondContact CD2-OG 2.68Å; F979-S1120 WeakPolarHBondContact CE2-OG 3.4Å; F979-L1122 HydrophobicContact CB-CD1 4.42Å; F979-L1122 HydrophobicContact CD1-CB 4.26Å; F979-L1122 HydrophobicContact CD1-CD2 4.32Å; F979-L1122 HydrophobicContact CD2-CB 4.05Å; F979-L1122 HydrophobicContact CE1-CB 4.07Å; F979-L1122 HydrophobicContact CE1-CD2 4.45Å; F979-L1122 HydrophobicContact CE2-CB 3.84Å; F979-L1122 HydrophobicContact CG-CB 4.26Å; F979-L1122 HydrophobicContact CG-CD1 4.29Å; F979-L1122 HydrophobicContact CZ-CB 3.85Å
980	L	72.5	Confident	67.3	Low	69 Å²	69	60.7 Å²	60.7	36%	0.361	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.8	174.1	-64.3	177.1	0	0	0	110.9	Q1043 I1045	L980-Q1043 HydrophobicContact CB-CB 4.36Å; L980-Q1043 HydrophobicContact CD1-CB 4.25Å; L980-Q1043 PolarHBondContact N-O 2.99Å; L980-I1045 HydrophobicContact CD1-CG2 3.65Å; L980-I1045 HydrophobicContact CD2-CD1 4.04Å; L980-I1045 HydrophobicContact CD2-CG1 4.12Å; L980-I1045 HydrophobicContact CD2-CG2 4.15Å; L980-I1045 HydrophobicContact CG-CG2 4.01Å
981	L	65.3	Low	64.7	Low	50 Å²	50	68.5 Å²	68.5	26%	0.262	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.3	178.7	-70.9	177.2	0	0	0	111.5	L983 Y1021 Y1144 I1146	L981-L983 HydrophobicContact CD2-CD2 4.11Å; L981-L983 HydrophobicContact CD2-CG 4.07Å; L981-Y1021 HydrophobicContact CD1-CD2 4.07Å; L981-Y1021 HydrophobicContact CD1-CE2 3.45Å; L981-Y1021 VanDerWaalsContact CD1-CE2 3.45Å; L981-Y1144 HydrophobicContact CD2-CE2 3.59Å; L981-I1146 HydrophobicContact CD1-CD1 3.21Å; L981-I1146 HydrophobicContact CD1-CG1 4.12Å; L981-I1146 HydrophobicContact CD2-CD1 4.35Å; L981-I1146 HydrophobicContact CG-CD1 3.98Å
982	P	57.7	Low	62.2	Low	73 Å²	73	73.5 Å²	73.5	47%	0.474	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-80.1	162	0.7	32.9	-35.2	0	0	0	113.5
983	L	65.4	Low	59.5	Low	12 Å²	12	81.9 Å²	81.9	6%	0.063	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	147.9	-177.7	-55.4	167.9	0	0	0	112.5	L981 M1023 I1040 F1042 Y1144	L981-L983 HydrophobicContact CD2-CD2 4.11Å; L981-L983 HydrophobicContact CD2-CG 4.07Å; L983-M1023 HydrophobicContact CB-CE 4.17Å; L983-M1023 WeakPolarHBondContact O-CE 3.17Å; L983-I1040 HydrophobicContact CB-CG2 3.92Å; L983-I1040 HydrophobicContact CD1-CG2 3.72Å; L983-I1040 HydrophobicContact CG-CG2 4.26Å; L983-F1042 HydrophobicContact CD1-CD1 4.01Å; L983-F1042 HydrophobicContact CD1-CE1 3.34Å; L983-F1042 HydrophobicContact CD1-CZ 3.89Å; L983-F1042 HydrophobicContact CD2-CB 4.49Å; L983-F1042 HydrophobicContact CD2-CD1 3.3Å; L983-F1042 HydrophobicContact CD2-CE1 3.61Å; L983-F1042 HydrophobicContact CD2-CG 4.08Å; L983-F1042 HydrophobicContact CG-CD1 4.3Å; L983-F1042 HydrophobicContact CG-CE1 4.12Å; L983-Y1144 HydrophobicContact CD1-CD1 3.96Å; L983-Y1144 HydrophobicContact CD1-CD2 4.23Å; L983-Y1144 HydrophobicContact CD1-CE1 3.54Å; L983-Y1144 HydrophobicContact CD1-CE2 3.81Å; L983-Y1144 HydrophobicContact CD1-CG 4.29Å; L983-Y1144 VanDerWaalsContact CD1-CZ 3.44Å; L983-Y1144 HydrophobicContact CG-CE1 4.35Å; L983-Y1144 HydrophobicContact CG-CE2 4.22Å
984	Y	60.8	Low	57.2	Low	129 Å²	129	86.2 Å²	86.2	51%	0.506	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	157.4	179.1	-60.6	-79.2	0	0	0	111.5	Q1041	Y984-Q1041 PolarHBondContact O-N 2.77Å
985	S	64.5	Low	55	Low	63 Å²	63	88.5 Å²	88.5	44%	0.441	45%	0.449	S	S	.	.			trans	-72.8	136.9	174.2	69.4	0	0	0	0	110.9	H987 S988	S985-H987 PolarHBondContact O-N 3.1Å; S985-S988 PolarHBondContact O-N 3.12Å
986	C	61.8	Low	52.9	Low	10 Å²	10	91.1 Å²	91.1	7%	0.068	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	129	166.3	-69.2	0	0	0	0	110	S1038 I1040 Q1041 C1087	C986-S1038 VanDerWaalsContact CB-CB 3.42Å; C986-S1038 VanDerWaalsContact CB-OG 3.32Å; C986-S1038 WeakPolarHBondContact CB-OG 3.06Å; C986-I1040 PolarHBondContact SG-O 3.19Å; C986-Q1041 PolarHBondContact SG-N 2.95Å; C986-Q1041 VanDerWaalsContact SG-N 3.42Å; C986-C1087 HydrophobicContact CB-CB 4.13Å; C986-C1087 WeakPolarHBondContact CB-SG 3.38Å; C986-C1087 WeakPolarHBondContact SG-CA 3.28Å; C986-C1087 WeakPolarHBondContact SG-CB 3.24Å; C986-C1087 CovalentContact SG-SG 2.04Å; C986-C1087 PolarHBondContact SG-SG 3.22Å
987	H	54.2	Low	50.5	Low	150 Å²	150	97.2 Å²	97.2	69%	0.694	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	29.4	-177.4	-58.4	-70.3	0	0	0	118.1	S985 L989 S1038	S985-H987 PolarHBondContact O-N 3.1Å; H987-L989 PolarHBondContact O-N 2.98Å; H987-S1038 PolarHBondContact CD2-OG 3.38Å
988	S	40.1	Very low	47.9	Very low	82 Å²	82	105.5 Å²	105.5	57%	0.573	53%	0.527	S	S	*	.			trans	-71.5	57.8	149.2	72.6	0	0	0	0	110.2	S985	S985-S988 PolarHBondContact O-N 3.12Å
989	L	36	Very low	45.8	Very low	158 Å²	158	111 Å²	111	83%	0.827	55%	0.55	S	S	*	*			trans	-83.8	-1.1	164.4	-128.5	83	0	0	0	111.1	H987 R991	H987-L989 PolarHBondContact O-N 2.98Å; L989-R991 PolarHBondContact O-N 2.85Å
990	D	31.4	Very low	43.8	Very low	134 Å²	134	117.1 Å²	117.1	72%	0.717	58%	0.579	S	S	*	*	S	Bend	trans	-72.4	98.9	172.6	-85.7	-18.7	0	0	0	110.4
991	R	30.1	Very low	41.8	Very low	210 Å²	210	121.3 Å²	121.3	79%	0.792	60%	0.601	S	S	*	*	S	Bend	trans	72.4	42.6	146.9	-52.2	-171.8	-124.4	-162.3	-0.5	117.5	L989 R993	L989-R991 PolarHBondContact O-N 2.85Å; R991-R993 VanDerWaalsContact C-N 3.33Å
992	L	31.9	Very low	40.3	Very low	130 Å²	130	126.7 Å²	126.7	68%	0.681	62%	0.618	S	S	*	*			trans	-106.1	61.5	140.4	-69.8	169.3	0	0	0	109.2	N994	L992-N994 PolarHBondContact O-N 3.49Å
993	R	27.4	Very low	39.4	Very low	244 Å²	244	126.3 Å²	126.3	92%	0.921	62%	0.617	S	S	*	*			trans	-68.8	29.6	151.6	-115.6	-174	-163.9	-177.3	4.6	111.3	R991 S995	R991-R993 VanDerWaalsContact C-N 3.33Å; R993-S995 PolarHBondContact O-N 3.16Å
994	N	30.1	Very low	38.1	Very low	109 Å²	109	128 Å²	128	58%	0.583	63%	0.63	S	S	*	*			trans	-80.4	110.9	151.4	-83.5	-2.2	0	0	0	105.1	L992 D996	L992-N994 PolarHBondContact O-N 3.49Å; N994-D996 PolarHBondContact O-N 3.49Å
995	S	32.6	Very low	37	Very low	118 Å²	118	123.1 Å²	123.1	83%	0.825	61%	0.614	S	S	*	*	S	Bend	trans	-53.9	50.6	163.3	50.9	0	0	0	0	112.9	R993	R993-S995 PolarHBondContact O-N 3.16Å
996	D	34	Very low	35.8	Very low	96 Å²	96	126.7 Å²	126.7	51%	0.513	62%	0.624	S	S	.	*			trans	-112.5	16.2	166.8	-81	-24.4	0	0	0	110.6	N994 Q998 K999	N994-D996 PolarHBondContact O-N 3.49Å; D996-Q998 PolarHBondContact O-N 3.41Å; D996-K999 PolarHBondContact O-N 3.45Å
997	H	29.9	Very low	34.6	Very low	152 Å²	152	131.6 Å²	131.6	70%	0.704	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	8.5	172.1	-88.8	-58.8	0	0	0	114.7
998	Q	29	Very low	33.7	Very low	173 Å²	173	127.5 Å²	127.5	81%	0.808	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	5.2	169.4	-71.3	-171.4	-10.2	0	0	114	D996	D996-Q998 PolarHBondContact O-N 3.41Å
999	K	32.3	Very low	33.4	Very low	150 Å²	150	130.7 Å²	130.7	65%	0.652	66%	0.657	S	S	*	*	S	Bend	trans	-86.3	-12.1	175.1	-82.9	-177.1	178	168.2	0	115	D996	D996-K999 PolarHBondContact O-N 3.45Å
1000	H	32.8	Very low	33.2	Very low	148 Å²	148	129.3 Å²	129.3	69%	0.685	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-92	-11.2	179	-73.8	-62	0	0	0	115.2	R1002 S1003	H1000-R1002 PolarHBondContact O-N 3.02Å; H1000-S1003 PolarHBondContact O-OG 3.38Å
1001	D	31.7	Very low	33.2	Very low	156 Å²	156	131.7 Å²	131.7	83%	0.834	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-82.3	5.5	170.3	-82.8	-9.2	0	0	0	113.3
1002	R	33.3	Very low	33.4	Very low	164 Å²	164	124.9 Å²	124.9	62%	0.619	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-124.6	13.7	179.3	-69	-167.7	-178.2	-175.5	1.6	114.6	H1000	H1000-R1002 PolarHBondContact O-N 3.02Å
1003	S	38.5	Very low	33.4	Very low	64 Å²	64	122.9 Å²	122.9	45%	0.448	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	10.5	-173.5	57.4	0	0	0	0	116	H1000	H1000-S1003 PolarHBondContact O-OG 3.38Å
1004	S	38.9	Very low	34	Very low	47 Å²	47	117 Å²	117	33%	0.329	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-8.1	176.8	49.7	0	0	0	0	114.9	Y1047	S1004-Y1047 WeakPolarHBondContact O-CD1 2.95Å; S1004-Y1047 WeakPolarHBondContact O-CE1 3.08Å
1005	C	37.5	Very low	34.4	Very low	28 Å²	28	118.5 Å²	118.5	19%	0.189	63%	0.627	C	S	.	*			trans	-127.8	28.2	-175.8	-78.5	0	0	0	0	117	C910 I911 E939 S1007	C910-C1005 HydrophobicContact CB-CB 3.69Å; C910-C1005 WeakPolarHBondContact CB-SG 3.35Å; C910-C1005 WeakPolarHBondContact SG-CB 3.19Å; C910-C1005 CovalentContact SG-SG 2Å; C910-C1005 PolarHBondContact SG-SG 3.41Å; I911-C1005 HydrophobicContact CG1-CB 3.9Å; E939-C1005 PolarHBondContact O-SG 3.15Å; C1005-S1007 PolarHBondContact O-N 3.44Å
1006	H	37.9	Very low	34.7	Very low	137 Å²	137	115.7 Å²	115.7	63%	0.634	60%	0.602	S	S	*	*			trans	-83.3	99.1	163.7	-102.9	-68.4	0	0	0	110.6	S1008	H1006-S1008 PolarHBondContact O-N 3.12Å
1007	S	37.1	Very low	35.4	Very low	113 Å²	113	115.3 Å²	115.3	79%	0.79	60%	0.604	S	S	*	*			trans	-66.4	27	164.4	69.7	0	0	0	0	113.5	C1005 N1009	C1005-S1007 PolarHBondContact O-N 3.44Å; S1007-N1009 PolarHBondContact O-N 3.47Å; S1007-N1009 VanDerWaalsContact O-N 3.17Å
1008	S	36	Very low	36.2	Very low	64 Å²	64	113.2 Å²	113.2	45%	0.448	60%	0.597	S	S	.	*	S	Bend	trans	-81.3	92.2	166.3	53.5	0	0	0	0	106.7	H1006 I1010	H1006-S1008 PolarHBondContact O-N 3.12Å; S1008-I1010 WeakPolarHBondContact O-CG1 2.85Å; S1008-I1010 PolarHBondContact O-N 3.49Å
1009	N	33.1	Very low	37.2	Very low	149 Å²	149	109.4 Å²	109.4	80%	0.797	58%	0.58	S	S	*	*	S	Bend	trans	25.6	30.4	144.7	-77.2	-16	0	0	0	119.5	S1007 Y1011	S1007-N1009 PolarHBondContact O-N 3.47Å; S1007-N1009 VanDerWaalsContact O-N 3.17Å; N1009-Y1011 VanDerWaalsContact C-N 3.27Å
1010	I	31.1	Very low	38.1	Very low	129 Å²	129	107.7 Å²	107.7	66%	0.662	58%	0.577	S	S	*	*			trans	-109.7	45.7	164.4	-45.7	163.2	0	0	0	104.2	S1008 P1012	S1008-I1010 WeakPolarHBondContact O-CG1 2.85Å; S1008-I1010 PolarHBondContact O-N 3.49Å; I1010-P1012 VanDerWaalsContact C-N 3.25Å; I1010-P1012 WeakPolarHBondContact O-CD 3.38Å
1011	Y	32.8	Very low	39.3	Very low	184 Å²	184	103.8 Å²	103.8	72%	0.722	56%	0.557	S	S	*	*	S	Bend	trans	-56.2	110.5	131.1	-72.9	-74.4	0	0	0	103.3	N1009 T1013	N1009-Y1011 VanDerWaalsContact C-N 3.27Å; Y1011-T1013 VanDerWaalsContact C-N 3.34Å; Y1011-T1013 PolarHBondContact O-N 3.18Å
1012	P	34.5	Very low	40.6	Very low	68 Å²	68	101.4 Å²	101.4	44%	0.442	54%	0.544	S	S	.	.			trans	-51.4	114.8	169.8	20.8	-28.7	0	0	0	104.1	I1010 P1014 I1016	I1010-P1012 VanDerWaalsContact C-N 3.25Å; I1010-P1012 WeakPolarHBondContact O-CD 3.38Å; P1012-P1014 VanDerWaalsContact O-N 3.16Å; P1012-I1016 HydrophobicContact CB-CD1 3.81Å
1013	T	31.6	Very low	41.8	Very low	87 Å²	87	96 Å²	96	53%	0.534	53%	0.526	S	S	.	.			trans	-44.1	131.5	-176.8	47.9	0	0	0	0	106.6	Y1011 N1015 I1016	Y1011-T1013 VanDerWaalsContact C-N 3.34Å; Y1011-T1013 PolarHBondContact O-N 3.18Å; T1013-N1015 PolarHBondContact O-N 2.96Å; T1013-I1016 PolarHBondContact O-N 3.43Å
1014	P	39	Very low	42.9	Very low	120 Å²	120	97.2 Å²	97.2	78%	0.779	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-7.1	-174.2	19.1	-29.7	0	0	0	113.3	P1012	P1012-P1014 VanDerWaalsContact O-N 3.16Å
1015	N	38.3	Very low	43.9	Very low	141 Å²	141	96.5 Å²	96.5	75%	0.754	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	7.5	172.8	-74.7	-8.8	0	0	0	116.3	T1013 T1017	T1013-N1015 PolarHBondContact O-N 2.96Å; N1015-T1017 PolarHBondContact O-N 3.48Å
1016	I	40.2	Very low	44.8	Very low	59 Å²	59	99 Å²	99	30%	0.303	54%	0.538	S	S	.	.			trans	-80.5	44.4	166.1	-45.8	176.5	0	0	0	109.6	P1012 T1013 Q1019	P1012-I1016 HydrophobicContact CB-CD1 3.81Å; T1013-I1016 PolarHBondContact O-N 3.43Å; I1016-Q1019 HydrophobicContact CG2-CB 4.03Å; I1016-Q1019 HydrophobicContact CG2-CG 3.88Å
1017	T	47.4	Very low	45.7	Very low	89 Å²	89	93.3 Å²	93.3	55%	0.546	51%	0.512	S	S	.	.	S	Bend	trans	-89.2	119.9	166.1	51.4	0	0	0	0	106.8	N1015	N1015-T1017 PolarHBondContact O-N 3.48Å
1018	N	48.1	Very low	46.5	Very low	107 Å²	107	91.4 Å²	91.4	57%	0.572	50%	0.497	S	S	*	.	S	Bend	trans	76	33.9	178.7	-56.8	-22.4	0	0	0	117.9	L1020 I1146	N1018-L1020 PolarHBondContact O-N 2.86Å; N1018-I1146 PolarHBondContact N-O 3.38Å
1019	Q	49.5	Very low	47.2	Very low	93 Å²	93	90.6 Å²	90.6	44%	0.435	49%	0.485	S	S	.	.			trans	-74	111.2	158.1	-75	-171.3	-7.2	0	0	109.2	I1016 Y1021	I1016-Q1019 HydrophobicContact CG2-CB 4.03Å; I1016-Q1019 HydrophobicContact CG2-CG 3.88Å; Q1019-Y1021 HydrophobicContact CB-CD2 4.17Å; Q1019-Y1021 HydrophobicContact CB-CE2 3.58Å; Q1019-Y1021 WeakPolarHBondContact O-CD2 3.16Å; Q1019-Y1021 PolarHBondContact OE1-OH 2.85Å
1020	L	51.6	Low	47.8	Very low	115 Å²	115	89.5 Å²	89.5	60%	0.602	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.1	171.1	-115	140.2	0	0	0	107.5	N1018 N1022 N1143 Y1144	N1018-L1020 PolarHBondContact O-N 2.86Å; L1020-N1022 WeakPolarHBondContact CD2-OD1 3.32Å; L1020-N1143 HydrophobicContact CD2-CB 4.2Å; L1020-Y1144 WeakPolarHBondContact CA-O 3.22Å
1021	Y	56.2	Low	48.6	Very low	65 Å²	65	85 Å²	85	26%	0.255	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.1	174.7	-69.1	-89.4	0	0	0	107.8	L981 Q1019 Y1144	L981-Y1021 HydrophobicContact CD1-CD2 4.07Å; L981-Y1021 HydrophobicContact CD1-CE2 3.45Å; L981-Y1021 VanDerWaalsContact CD1-CE2 3.45Å; Q1019-Y1021 HydrophobicContact CB-CD2 4.17Å; Q1019-Y1021 HydrophobicContact CB-CE2 3.58Å; Q1019-Y1021 WeakPolarHBondContact O-CD2 3.16Å; Q1019-Y1021 PolarHBondContact OE1-OH 2.85Å; Y1021-Y1144 VanDerWaalsContact CB-OH 3.3Å; Y1021-Y1144 WeakPolarHBondContact CB-OH 3.24Å; Y1021-Y1144 HydrophobicContact CD2-CD2 4.37Å; Y1021-Y1144 AromaticContact CD2-CE2 3.74Å; Y1021-Y1144 HydrophobicContact CD2-CE2 3.74Å; Y1021-Y1144 AromaticContact CG-CE2 3.76Å; Y1021-Y1144 HydrophobicContact CG-CE2 3.76Å; Y1021-Y1144 AromaticContact CG-CZ 3.82Å; Y1021-Y1144 PolarHBondContact N-O 3.42Å; Y1021-Y1144 WeakPolarHBondContact O-CD1 3.15Å; Y1021-Y1144 WeakPolarHBondContact O-CE1 3.5Å; Y1021-Y1144 PolarHBondContact O-N 2.89Å
1022	N	59.6	Low	49.5	Very low	106 Å²	106	83.4 Å²	83.4	57%	0.567	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.3	178.8	-64	-6.1	0	0	0	108.1	L1020 N1143	L1020-N1022 WeakPolarHBondContact CD2-OD1 3.32Å; N1022-N1143 VanDerWaalsContact CB-OD1 3.24Å; N1022-N1143 WeakPolarHBondContact CB-OD1 3.1Å; N1022-N1143 VanDerWaalsContact CG-CG 3.45Å; N1022-N1143 WeakPolarHBondContact OD1-CB 3.45Å; N1022-N1143 PolarHBondContact OD1-OD1 2.92Å; N1022-N1143 VanDerWaalsContact OD1-OD1 3.06Å
1023	M	59.6	Low	50	Low	51 Å²	51	86.6 Å²	86.6	25%	0.251	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.4	175	-173.1	-178.5	-71.1	0	0	108.8	L983 I1025 I1040 I1142 Y1144	L983-M1023 HydrophobicContact CB-CE 4.17Å; L983-M1023 WeakPolarHBondContact O-CE 3.17Å; M1023-I1025 HydrophobicContact CG-CG1 4.28Å; M1023-I1025 HydrophobicContact SD-CD1 4.17Å; M1023-I1025 HydrophobicContact SD-CG1 4.47Å; M1023-I1040 HydrophobicContact SD-CD1 3.89Å; M1023-I1040 HydrophobicContact SD-CG1 3.91Å; M1023-I1142 PolarHBondContact N-O 2.86Å; M1023-I1142 WeakPolarHBondContact O-CA 3.4Å; M1023-I1142 WeakPolarHBondContact O-CB 3.16Å; M1023-I1142 PolarHBondContact O-N 3.09Å; M1023-Y1144 HydrophobicContact CB-CE1 4.47Å
1024	T	60.8	Low	50.8	Low	90 Å²	90	89.2 Å²	89.2	55%	0.552	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.1	177.5	18.2	0	0	0	0	110.7	F1141	T1024-F1141 HydrophobicContact CG2-CB 4.4Å; T1024-F1141 HydrophobicContact CG2-CD1 3.01Å; T1024-F1141 HydrophobicContact CG2-CE1 3.19Å; T1024-F1141 HydrophobicContact CG2-CG 3.79Å; T1024-F1141 HydrophobicContact CG2-CZ 4.11Å
1025	I	59.7	Low	51.3	Low	32 Å²	32	88.2 Å²	88.2	16%	0.164	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.8	179.2	-56.2	-178.1	0	0	0	109	M1023 L1027 F1039 I1040 I1140 I1142	M1023-I1025 HydrophobicContact CG-CG1 4.28Å; M1023-I1025 HydrophobicContact SD-CD1 4.17Å; M1023-I1025 HydrophobicContact SD-CG1 4.47Å; I1025-L1027 HydrophobicContact CG2-CD2 4.25Å; I1025-L1027 HydrophobicContact CG2-CG 4.47Å; I1025-F1039 HydrophobicContact CD1-CB 3.92Å; I1025-F1039 HydrophobicContact CD1-CD2 3.81Å; I1025-F1039 HydrophobicContact CD1-CG 4.31Å; I1025-F1039 HydrophobicContact CG2-CB 4.46Å; I1025-I1040 HydrophobicContact CD1-CD1 3.92Å; I1025-I1040 HydrophobicContact CD1-CG1 3.77Å; I1025-I1140 PolarHBondContact N-O 2.92Å; I1025-I1140 PolarHBondContact O-N 2.8Å; I1025-I1142 HydrophobicContact CD1-CD1 3.88Å; I1025-I1142 HydrophobicContact CG1-CD1 4.45Å
1026	V	57.5	Low	52	Low	80 Å²	80	86.7 Å²	86.7	49%	0.485	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.7	177.5	-172.9	0	0	0	0	109.1	I1139	V1026-I1139 HydrophobicContact CB-CG1 4.21Å; V1026-I1139 HydrophobicContact CG1-CG1 3.87Å; V1026-I1139 HydrophobicContact CG2-CD1 4.21Å; V1026-I1139 HydrophobicContact CG2-CG1 3.88Å
1027	L	56.6	Low	53	Low	18 Å²	18	87.9 Å²	87.9	9%	0.094	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	176.4	-67.1	-178.9	0	0	0	111.7	I1025 K1029 H1037 I1090 F1094 S1138 I1140	I1025-L1027 HydrophobicContact CG2-CD2 4.25Å; I1025-L1027 HydrophobicContact CG2-CG 4.47Å; L1027-K1029 PolarHBondContact O-N 2.8Å; L1027-H1037 HydrophobicContact CD2-CB 4.45Å; L1027-I1090 HydrophobicContact CD1-CD1 3.44Å; L1027-I1090 VanDerWaalsContact CD1-CD1 3.44Å; L1027-F1094 HydrophobicContact CD1-CE2 4.11Å; L1027-S1138 CarbonylContact C-O 3.53Å; L1027-S1138 PolarHBondContact N-O 2.81Å; L1027-S1138 CarbonylContact O-C 3.59Å; L1027-S1138 PolarHBondContact O-N 3.34Å; L1027-S1138 PolarHBondContact O-OG 2.81Å; L1027-I1140 HydrophobicContact CD1-CD1 3.32Å; L1027-I1140 HydrophobicContact CD1-CG1 3.95Å; L1027-I1140 HydrophobicContact CG-CD1 4.27Å; L1027-I1140 HydrophobicContact CG-CG1 4.41Å
1028	P	54	Low	54.1	Low	72 Å²	72	84.8 Å²	84.8	47%	0.468	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.3	179.4	25.2	-31.5	0	0	0	111.6	Q1030	P1028-Q1030 VanDerWaalsContact C-N 3.34Å; P1028-Q1030 PolarHBondContact O-N 2.86Å
1029	K	49.5	Very low	55.1	Low	48 Å²	48	80.3 Å²	80.3	21%	0.209	42%	0.419	C	S	.	.	S	Bend	trans	-73.2	-26.6	-177.3	-168.8	177.8	179.6	-179.9	0	112.5	L1027 K1093 Y1096 N1136	L1027-K1029 PolarHBondContact O-N 2.8Å; K1029-K1093 WeakPolarHBondContact O-CE 3.15Å; K1029-Y1096 PolarHBondContact NZ-OH 2.65Å; K1029-Y1096 VanDerWaalsContact NZ-OH 3.15Å; K1029-N1136 WeakPolarHBondContact CB-O 3.31Å; K1029-N1136 PolarHBondContact N-O 3.41Å
1030	Q	46	Very low	56.3	Low	125 Å²	125	75.9 Å²	75.9	58%	0.584	40%	0.398	S	S	*	.			trans	-118.2	82.4	-174.6	-74.4	-178.2	-24.1	0	0	111.5	P1028 N1136	P1028-Q1030 VanDerWaalsContact C-N 3.34Å; P1028-Q1030 PolarHBondContact O-N 2.86Å; Q1030-N1136 PolarHBondContact OE1-ND2 2.95Å; Q1030-N1136 PolarHBondContact OE1-OD1 2.77Å
1031	S	48.6	Very low	57.7	Low	34 Å²	34	72.7 Å²	72.7	24%	0.238	38%	0.38	C	S	.	.			trans	-98.6	129.8	146.8	64.6	0	0	0	0	107.7	H1033 K1093	S1031-H1033 PolarHBondContact O-N 2.96Å; S1031-H1033 PolarHBondContact OG-O 3.42Å; S1031-K1093 PolarHBondContact O-NZ 2.9Å
1032	N	50.6	Low	58.8	Low	151 Å²	151	69.6 Å²	69.6	81%	0.807	37%	0.368	S	S	*	.	S	Bend	trans	-80.4	4.5	171.2	-80.3	-8.3	0	0	0	112.5
1033	H	46.2	Very low	59.9	Low	136 Å²	136	68 Å²	68	63%	0.63	36%	0.357	S	S	*	.	S	Bend	trans	-111.7	136.9	171.7	-66	-69.3	0	0	0	108.6	S1031 L1035	S1031-H1033 PolarHBondContact O-N 2.96Å; S1031-H1033 PolarHBondContact OG-O 3.42Å; H1033-L1035 HydrophobicContact CB-CD1 3.78Å; H1033-L1035 HydrophobicContact CB-CG 3.8Å; H1033-L1035 PolarHBondContact O-N 3.46Å
1034	D	48.5	Very low	60.9	Low	142 Å²	142	66.2 Å²	66.2	76%	0.759	35%	0.349	S	S	*	.			trans	-63.1	72.1	160.1	-68.4	-36.4	0	0	0	107.8
1035	L	47.9	Very low	61.9	Low	99 Å²	99	64.1 Å²	64.1	52%	0.518	33%	0.334	S	S	.	.			trans	-86.6	114.3	175.9	-86.9	156.6	0	0	0	107.1	H1033 H1037	H1033-L1035 HydrophobicContact CB-CD1 3.78Å; H1033-L1035 HydrophobicContact CB-CG 3.8Å; H1033-L1035 PolarHBondContact O-N 3.46Å; L1035-H1037 PolarHBondContact O-N 2.94Å
1036	L	53.5	Low	62.9	Low	108 Å²	108	63.3 Å²	63.3	57%	0.565	33%	0.33	S	S	*	.			trans	-57.6	105.5	160.5	-82.9	117.6	0	0	0	108	I1090 I1091	L1036-I1090 WeakPolarHBondContact CA-O 3.35Å; L1036-I1091 HydrophobicContact CD2-CB 4.43Å; L1036-I1091 HydrophobicContact CD2-CG2 3.44Å; L1036-I1091 VanDerWaalsContact CD2-CG2 3.44Å; L1036-I1091 HydrophobicContact CG-CG2 4.09Å
1037	H	62.1	Low	63.9	Low	85 Å²	85	63.1 Å²	63.1	39%	0.394	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	104.6	168.7	-95.8	-76.9	0	0	0	108	L1027 L1035 F1039 S1089 I1090	L1027-H1037 HydrophobicContact CD2-CB 4.45Å; L1035-H1037 PolarHBondContact O-N 2.94Å; H1037-F1039 WeakPolarHBondContact O-CD1 3.45Å; H1037-S1089 VanDerWaalsContact O-CA 3.31Å; H1037-S1089 WeakPolarHBondContact O-CA 3.41Å; H1037-I1090 PolarHBondContact O-N 3.34Å; H1037-I1090 VanDerWaalsContact O-N 3.07Å
1038	S	69.3	Low	65.2	Low	23 Å²	23	62.4 Å²	62.4	16%	0.161	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.5	162.4	57.7	0	0	0	0	108.7	C986 H987 L1088 S1089	C986-S1038 VanDerWaalsContact CB-CB 3.42Å; C986-S1038 VanDerWaalsContact CB-OG 3.32Å; C986-S1038 WeakPolarHBondContact CB-OG 3.06Å; H987-S1038 PolarHBondContact CD2-OG 3.38Å; S1038-L1088 WeakPolarHBondContact CA-O 3.38Å; S1038-S1089 VanDerWaalsContact CA-OG 3.27Å; S1038-S1089 WeakPolarHBondContact CA-OG 3.15Å; S1038-S1089 WeakPolarHBondContact CB-OG 3.38Å
1039	F	69.1	Low	66.2	Low	14 Å²	14	61.9 Å²	61.9	6%	0.061	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-28.8	-170.1	56.3	-86.8	0	0	0	113.8	I1025 H1037 F1079 L1088 I1090 I1126 I1142	I1025-F1039 HydrophobicContact CD1-CB 3.92Å; I1025-F1039 HydrophobicContact CD1-CD2 3.81Å; I1025-F1039 HydrophobicContact CD1-CG 4.31Å; I1025-F1039 HydrophobicContact CG2-CB 4.46Å; H1037-F1039 WeakPolarHBondContact O-CD1 3.45Å; F1039-F1079 AromaticContact CE1-CD1 3.96Å; F1039-F1079 HydrophobicContact CE1-CD1 3.96Å; F1039-F1079 HydrophobicContact CE1-CE1 4.14Å; F1039-F1079 AromaticContact CZ-CD1 3.75Å; F1039-F1079 HydrophobicContact CZ-CD1 3.75Å; F1039-F1079 AromaticContact CZ-CE1 3.8Å; F1039-F1079 HydrophobicContact CZ-CE1 3.8Å; F1039-L1088 VanDerWaalsContact CD1-O 3.23Å; F1039-L1088 WeakPolarHBondContact CD1-O 3.48Å; F1039-L1088 HydrophobicContact CE1-CB 4.45Å; F1039-L1088 HydrophobicContact CE1-CD2 4.43Å; F1039-L1088 HydrophobicContact CE1-CG 4.07Å; F1039-L1088 VanDerWaalsContact CE1-O 3.3Å; F1039-L1088 WeakPolarHBondContact CE1-O 3.19Å; F1039-L1088 HydrophobicContact CE2-CB 4.47Å; F1039-L1088 HydrophobicContact CE2-CD2 3.8Å; F1039-L1088 HydrophobicContact CE2-CG 4.23Å; F1039-L1088 HydrophobicContact CZ-CB 4.1Å; F1039-L1088 HydrophobicContact CZ-CD2 3.44Å; F1039-L1088 VanDerWaalsContact CZ-CD2 3.44Å; F1039-L1088 HydrophobicContact CZ-CG 3.55Å; F1039-L1088 PolarHBondContact N-O 3.46Å; F1039-I1090 HydrophobicContact CD1-CD1 3.78Å; F1039-I1090 HydrophobicContact CD1-CG1 4.13Å; F1039-I1090 HydrophobicContact CE1-CD1 3.63Å; F1039-I1090 HydrophobicContact CE1-CG1 3.6Å; F1039-I1090 HydrophobicContact CZ-CD1 4.35Å; F1039-I1090 HydrophobicContact CZ-CG1 4.4Å; F1039-I1126 HydrophobicContact CZ-CD1 4.36Å; F1039-I1142 HydrophobicContact CD2-CD1 3.54Å; F1039-I1142 HydrophobicContact CE2-CD1 3.36Å; F1039-I1142 HydrophobicContact CZ-CD1 4.45Å
1040	I	74.6	Confident	67.4	Low	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.1	-178.5	-77.9	171.8	0	0	0	110	L983 C986 M1023 I1025 F1042 L1088 I1142	L983-I1040 HydrophobicContact CB-CG2 3.92Å; L983-I1040 HydrophobicContact CD1-CG2 3.72Å; L983-I1040 HydrophobicContact CG-CG2 4.26Å; C986-I1040 PolarHBondContact SG-O 3.19Å; M1023-I1040 HydrophobicContact SD-CD1 3.89Å; M1023-I1040 HydrophobicContact SD-CG1 3.91Å; I1025-I1040 HydrophobicContact CD1-CD1 3.92Å; I1025-I1040 HydrophobicContact CD1-CG1 3.77Å; I1040-F1042 HydrophobicContact CB-CE2 4.23Å; I1040-F1042 HydrophobicContact CB-CZ 4.47Å; I1040-F1042 HydrophobicContact CG2-CD2 4Å; I1040-F1042 HydrophobicContact CG2-CE1 4.06Å; I1040-F1042 HydrophobicContact CG2-CE2 3.39Å; I1040-F1042 HydrophobicContact CG2-CZ 3.42Å; I1040-F1042 VanDerWaalsContact CG2-CZ 3.42Å; I1040-L1088 PolarHBondContact O-N 3.2Å; I1040-I1142 HydrophobicContact CD1-CB 4.37Å; I1040-I1142 HydrophobicContact CD1-CD1 3.41Å; I1040-I1142 VanDerWaalsContact CD1-CD1 3.41Å; I1040-I1142 HydrophobicContact CD1-CG1 4.46Å; I1040-I1142 HydrophobicContact CD1-CG2 4.06Å; I1040-I1142 HydrophobicContact CG1-CD1 4.48Å
1041	Q	81.3	Confident	68.8	Low	48 Å²	48	61.4 Å²	61.4	22%	0.224	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.8	172.1	-167.8	177.2	8.7	0	0	110.3	Y984 C986 Q1043 S1085	Y984-Q1041 PolarHBondContact O-N 2.77Å; C986-Q1041 PolarHBondContact SG-N 2.95Å; C986-Q1041 VanDerWaalsContact SG-N 3.42Å; Q1041-Q1043 HydrophobicContact CG-CG 4.36Å; Q1041-S1085 VanDerWaalsContact CG-O 3.26Å; Q1041-S1085 WeakPolarHBondContact CG-O 3.36Å; Q1041-S1085 PolarHBondContact NE2-O 3.39Å
1042	F	80.7	Confident	70.2	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.2	171.6	-62.4	-86.9	0	0	0	109	F979 L983 I1040 Y1057 I1081 G1086 L1088 I1107 L1122 L1124	F979-F1042 HydrophobicContact CE1-CB 4.35Å; L983-F1042 HydrophobicContact CD1-CD1 4.01Å; L983-F1042 HydrophobicContact CD1-CE1 3.34Å; L983-F1042 HydrophobicContact CD1-CZ 3.89Å; L983-F1042 HydrophobicContact CD2-CB 4.49Å; L983-F1042 HydrophobicContact CD2-CD1 3.3Å; L983-F1042 HydrophobicContact CD2-CE1 3.61Å; L983-F1042 HydrophobicContact CD2-CG 4.08Å; L983-F1042 HydrophobicContact CG-CD1 4.3Å; L983-F1042 HydrophobicContact CG-CE1 4.12Å; I1040-F1042 HydrophobicContact CB-CE2 4.23Å; I1040-F1042 HydrophobicContact CB-CZ 4.47Å; I1040-F1042 HydrophobicContact CG2-CD2 4Å; I1040-F1042 HydrophobicContact CG2-CE1 4.06Å; I1040-F1042 HydrophobicContact CG2-CE2 3.39Å; I1040-F1042 HydrophobicContact CG2-CZ 3.42Å; I1040-F1042 VanDerWaalsContact CG2-CZ 3.42Å; F1042-Y1057 PolarHBondContact O-OH 2.83Å; F1042-I1081 HydrophobicContact CD2-CD1 3.99Å; F1042-G1086 WeakPolarHBondContact CD2-O 3.33Å; F1042-G1086 PolarHBondContact N-O 3.39Å; F1042-L1088 HydrophobicContact CD2-CB 4.3Å; F1042-L1088 HydrophobicContact CE2-CB 3.73Å; F1042-L1088 HydrophobicContact CE2-CD2 3.92Å; F1042-L1088 HydrophobicContact CE2-CG 4.41Å; F1042-L1088 HydrophobicContact CZ-CD2 4.37Å; F1042-I1107 HydrophobicContact CD1-CD1 3.71Å; F1042-I1107 HydrophobicContact CD2-CD1 3.4Å; F1042-I1107 VanDerWaalsContact CD2-CD1 3.4Å; F1042-I1107 HydrophobicContact CE1-CD1 3.46Å; F1042-I1107 VanDerWaalsContact CE1-CD1 3.46Å; F1042-I1107 HydrophobicContact CE2-CD1 3.14Å; F1042-I1107 HydrophobicContact CG-CD1 3.7Å; F1042-I1107 HydrophobicContact CG-CG2 4.5Å; F1042-I1107 HydrophobicContact CZ-CD1 3.17Å; F1042-L1122 HydrophobicContact CD1-CD2 3.34Å; F1042-L1122 HydrophobicContact CE1-CD2 3.3Å; F1042-L1122 HydrophobicContact CZ-CD2 4.49Å; F1042-L1124 HydrophobicContact CE1-CD1 3.44Å; F1042-L1124 VanDerWaalsContact CE1-CD1 3.44Å; F1042-L1124 HydrophobicContact CZ-CD1 3.43Å; F1042-L1124 VanDerWaalsContact CZ-CD1 3.43Å; F1042-L1124 HydrophobicContact CZ-CD2 4.04Å; F1042-L1124 HydrophobicContact CZ-CG 4.4Å
1043	Q	81.2	Confident	71.6	Confident	71 Å²	71	55.7 Å²	55.7	33%	0.332	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.2	176	-72.2	-176.3	-13.3	0	0	110.1	L980 Q1041 Y1057	L980-Q1043 HydrophobicContact CB-CB 4.36Å; L980-Q1043 HydrophobicContact CD1-CB 4.25Å; L980-Q1043 PolarHBondContact N-O 2.99Å; Q1041-Q1043 HydrophobicContact CG-CG 4.36Å; Q1043-Y1057 WeakPolarHBondContact CA-OH 3.35Å
1044	T	81.2	Confident	73.3	Confident	15 Å²	15	53.8 Å²	53.8	9%	0.092	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.9	177.6	49.5	0	0	0	0	109.8	I978 F979 I1055 Y1057 A1109	I978-T1044 CarbonylContact O-C 3.55Å; I978-T1044 WeakPolarHBondContact O-CA 3.44Å; I978-T1044 VanDerWaalsContact O-CB 3.31Å; I978-T1044 WeakPolarHBondContact O-CB 3.06Å; F979-T1044 HydrophobicContact CB-CG2 4Å; F979-T1044 HydrophobicContact CD1-CG2 3.23Å; F979-T1044 HydrophobicContact CD2-CG2 3.9Å; F979-T1044 HydrophobicContact CE1-CG2 3.53Å; F979-T1044 HydrophobicContact CE2-CG2 4.16Å; F979-T1044 HydrophobicContact CG-CG2 3.43Å; F979-T1044 VanDerWaalsContact CG-CG2 3.43Å; F979-T1044 HydrophobicContact CZ-CG2 4Å; T1044-I1055 WeakPolarHBondContact OG1-CD1 3.39Å; T1044-I1055 WeakPolarHBondContact OG1-CG2 2.92Å; T1044-Y1057 HydrophobicContact CG2-CE1 3.72Å; T1044-Y1057 PolarHBondContact N-OH 3.08Å; T1044-Y1057 WeakPolarHBondContact OG1-CE1 3.22Å; T1044-Y1057 VanDerWaalsContact OG1-CZ 3.27Å; T1044-Y1057 PolarHBondContact OG1-OH 2.98Å; T1044-A1109 HydrophobicContact CG2-CB 3.53Å
1045	I	80.8	Confident	75	Confident	45 Å²	45	48.2 Å²	48.2	23%	0.231	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.5	173.1	58	171	0	0	0	109.3	P977 I978 L980 Y1047	P977-I1045 CarbonylContact C-O 3.59Å; P977-I1045 WeakPolarHBondContact CA-O 3.29Å; I978-I1045 HydrophobicContact CB-CG1 4.23Å; I978-I1045 PolarHBondContact N-O 3.07Å; I978-I1045 PolarHBondContact O-N 3.5Å; L980-I1045 HydrophobicContact CD1-CG2 3.65Å; L980-I1045 HydrophobicContact CD2-CD1 4.04Å; L980-I1045 HydrophobicContact CD2-CG1 4.12Å; L980-I1045 HydrophobicContact CD2-CG2 4.15Å; L980-I1045 HydrophobicContact CG-CG2 4.01Å; I1045-Y1047 HydrophobicContact CD1-CE1 4.1Å; I1045-Y1047 HydrophobicContact CD1-CE2 3.96Å; I1045-Y1047 VanDerWaalsContact CD1-OH 3.3Å; I1045-Y1047 WeakPolarHBondContact CD1-OH 3.48Å
1046	D	81.5	Confident	76.6	Confident	15 Å²	15	43.7 Å²	43.7	8%	0.08	24%	0.235	C	C	.	.			trans	-123.3	132.4	169.8	-163.9	-39.7	0	0	0	106.1	P977 D1048 I1055 D1111	P977-D1046 VanDerWaalsContact CD-OD2 3.22Å; P977-D1046 WeakPolarHBondContact CD-OD2 3.39Å; P977-D1046 VanDerWaalsContact CG-OD2 3.27Å; P977-D1046 WeakPolarHBondContact CG-OD2 3.45Å; D1046-D1048 PolarHBondContact OD1-N 3.36Å; D1046-D1048 VanDerWaalsContact OD1-N 3.16Å; D1046-I1055 HydrophobicContact CB-CD1 3.83Å; D1046-I1055 HydrophobicContact CB-CG1 3.96Å; D1046-D1111 WeakPolarHBondContact OD2-CB 3.11Å
1047	Y	78.8	Confident	78.2	Confident	77 Å²	77	39.5 Å²	39.5	30%	0.302	21%	0.211	S	C	.	.	S	Bend	trans	-85.7	-16.1	-172.6	-73.8	-71	0	0	0	113	E939 I978 S1004 I1045	E939-Y1047 VanDerWaalsContact CG-O 3.25Å; E939-Y1047 WeakPolarHBondContact CG-O 3.03Å; I978-Y1047 HydrophobicContact CD1-CD2 4.26Å; I978-Y1047 HydrophobicContact CD1-CE2 3.83Å; S1004-Y1047 WeakPolarHBondContact O-CD1 2.95Å; S1004-Y1047 WeakPolarHBondContact O-CE1 3.08Å; I1045-Y1047 HydrophobicContact CD1-CE1 4.1Å; I1045-Y1047 HydrophobicContact CD1-CE2 3.96Å; I1045-Y1047 VanDerWaalsContact CD1-OH 3.3Å; I1045-Y1047 WeakPolarHBondContact CD1-OH 3.48Å
1048	D	83.7	Confident	79.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.011	21%	0.209	C	C	.	.	S	Bend	trans	-61.8	-177.2	169.5	-67.3	-18.2	0	0	0	110.7	N973 D974 N975 D1046 N1052 S1053	N973-D1048 VanDerWaalsContact CA-OD2 3.27Å; N973-D1048 WeakPolarHBondContact CA-OD2 3.29Å; N973-D1048 PolarHBondContact OD1-OD2 3.03Å; D974-D1048 PolarHBondContact N-OD1 2.83Å; N975-D1048 WeakPolarHBondContact CB-OD1 3.36Å; N975-D1048 PolarHBondContact N-OD1 2.87Å; N975-D1048 PolarHBondContact ND2-OD1 3.41Å; D1046-D1048 PolarHBondContact OD1-N 3.36Å; D1046-D1048 VanDerWaalsContact OD1-N 3.16Å; D1048-N1052 HydrophobicContact CB-CB 3.65Å; D1048-S1053 VanDerWaalsContact C-CB 3.43Å; D1048-S1053 WeakPolarHBondContact O-CB 3.28Å
1049	L	75.4	Confident	79.8	Confident	62 Å²	62	39.4 Å²	39.4	33%	0.325	21%	0.209	S	C	.	.			trans	-132.8	141.3	-176.1	-73.5	164.9	0	0	0	113.1	R938 D971	R938-L1049 HydrophobicContact CG-CD1 4.39Å; D971-L1049 PolarHBondContact OD2-N 2.78Å; D971-L1049 VanDerWaalsContact OD2-O 3.09Å
1050	G	75.2	Confident	80.3	Confident	53 Å²	53	40.5 Å²	40.5	55%	0.546	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-129.9	175.6	0	0	0	0	0	112.2	N1052 S1053 M1054	G1050-N1052 PolarHBondContact O-N 3.09Å; G1050-S1053 PolarHBondContact N-OG 3.17Å; G1050-S1053 PolarHBondContact O-N 3.46Å; G1050-S1053 PolarHBondContact O-OG 3.23Å; G1050-M1054 PolarHBondContact O-N 3.42Å
1051	I	74.5	Confident	80	Confident	110 Å²	110	43.2 Å²	43.2	56%	0.564	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-31.1	-179.8	-66.7	169.7	0	0	0	110.7	S1053 M1054 H1112	I1051-S1053 VanDerWaalsContact C-N 3.31Å; I1051-S1053 PolarHBondContact O-N 3.37Å; I1051-M1054 PolarHBondContact O-N 3.39Å; I1051-H1112 HydrophobicContact CG2-CB 4.17Å; I1051-H1112 VanDerWaalsContact CG2-O 3.25Å; I1051-H1112 WeakPolarHBondContact CG2-O 3.33Å; I1051-H1112 CarbonylContact O-C 3.59Å; I1051-H1112 WeakPolarHBondContact O-CB 3.25Å
1052	N	78	Confident	79.3	Confident	25 Å²	25	45.3 Å²	45.3	13%	0.134	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.8	176.5	-62.4	-22.1	0	0	0	111.1	D971 N973 D1048 G1050 M1054 D1111 G1113	D971-N1052 WeakPolarHBondContact OD2-CB 3.23Å; D971-N1052 PolarHBondContact OD2-ND2 3.5Å; N973-N1052 HydrophobicContact CB-CB 4.01Å; D1048-N1052 HydrophobicContact CB-CB 3.65Å; G1050-N1052 PolarHBondContact O-N 3.09Å; N1052-M1054 VanDerWaalsContact C-N 3.34Å; N1052-M1054 PolarHBondContact O-N 2.75Å; N1052-D1111 WeakPolarHBondContact O-CB 3.35Å; N1052-G1113 WeakPolarHBondContact OD1-CA 3.18Å
1053	S	80	Confident	78.6	Confident	40 Å²	40	46.8 Å²	46.8	28%	0.28	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.9	178.5	90	0	0	0	0	115.1	D1048 G1050 I1051	D1048-S1053 VanDerWaalsContact C-CB 3.43Å; D1048-S1053 WeakPolarHBondContact O-CB 3.28Å; G1050-S1053 PolarHBondContact N-OG 3.17Å; G1050-S1053 PolarHBondContact O-N 3.46Å; G1050-S1053 PolarHBondContact O-OG 3.23Å; I1051-S1053 VanDerWaalsContact C-N 3.31Å; I1051-S1053 PolarHBondContact O-N 3.37Å
1054	M	82.1	Confident	77.3	Confident	95 Å²	95	48.6 Å²	48.6	47%	0.468	27%	0.272	S	S	.	.			trans	-80.3	123.6	-174.5	-178.7	-179.1	177.5	0	0	109.4	G1050 I1051 N1052 D1111 H1112	G1050-M1054 PolarHBondContact O-N 3.42Å; I1051-M1054 PolarHBondContact O-N 3.39Å; N1052-M1054 VanDerWaalsContact C-N 3.34Å; N1052-M1054 PolarHBondContact O-N 2.75Å; M1054-D1111 CarbonylContact O-C 3.52Å; M1054-D1111 VanDerWaalsContact O-CA 3.3Å; M1054-D1111 WeakPolarHBondContact O-CA 3.31Å; M1054-H1112 HydrophobicContact CB-CB 4.21Å; M1054-H1112 PolarHBondContact O-CD2 3.13Å; M1054-H1112 VanDerWaalsContact O-CD2 3.23Å; M1054-H1112 PolarHBondContact O-N 3.4Å
1055	I	83.3	Confident	75.9	Confident	25 Å²	25	53.8 Å²	53.8	13%	0.128	30%	0.295	C	S	.	.			trans	-110.1	141.6	-172.8	-50.5	165.2	0	0	0	110.6	P977 T1044 D1046 A1109 K1110	P977-I1055 HydrophobicContact CB-CD1 4.14Å; P977-I1055 HydrophobicContact CB-CG1 4.25Å; P977-I1055 HydrophobicContact CB-CG2 4.35Å; P977-I1055 HydrophobicContact CG-CG1 4.35Å; T1044-I1055 WeakPolarHBondContact OG1-CD1 3.39Å; T1044-I1055 WeakPolarHBondContact OG1-CG2 2.92Å; D1046-I1055 HydrophobicContact CB-CD1 3.83Å; D1046-I1055 HydrophobicContact CB-CG1 3.96Å; I1055-A1109 HydrophobicContact CG2-CB 3.86Å; I1055-K1110 CarbonylContact C-O 3.26Å; I1055-K1110 WeakPolarHBondContact CA-O 3.31Å
1056	T	82.7	Confident	73.8	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.4	165.1	51	0	0	0	0	112.5	H1058 Q1083 A1109 K1110 H1112	T1056-H1058 PolarHBondContact OG1-NE2 2.8Å; T1056-Q1083 WeakPolarHBondContact CA-O 3.25Å; T1056-Q1083 HydrophobicContact CG2-CG 3.79Å; T1056-A1109 WeakPolarHBondContact O-CA 3.47Å; T1056-K1110 PolarHBondContact N-O 3.17Å; T1056-K1110 PolarHBondContact O-N 2.85Å; T1056-H1112 WeakPolarHBondContact CG2-NE2 3.34Å; T1056-H1112 PolarHBondContact OG1-NE2 3.49Å
1057	Y	86	Confident	71.8	Confident	19 Å²	19	60.7 Å²	60.7	8%	0.075	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.5	179.7	-58.1	-80.9	0	0	0	111.6	F979 F1042 Q1043 T1044 Q1083 I1107 I1108 A1109	F979-Y1057 HydrophobicContact CE1-CD1 4.34Å; F979-Y1057 HydrophobicContact CE1-CE1 4.18Å; F1042-Y1057 PolarHBondContact O-OH 2.83Å; Q1043-Y1057 WeakPolarHBondContact CA-OH 3.35Å; T1044-Y1057 HydrophobicContact CG2-CE1 3.72Å; T1044-Y1057 PolarHBondContact N-OH 3.08Å; T1044-Y1057 WeakPolarHBondContact OG1-CE1 3.22Å; T1044-Y1057 VanDerWaalsContact OG1-CZ 3.27Å; T1044-Y1057 PolarHBondContact OG1-OH 2.98Å; Y1057-Q1083 PolarHBondContact N-O 2.73Å; Y1057-Q1083 VanDerWaalsContact O-CA 3.3Å; Y1057-Q1083 WeakPolarHBondContact O-CA 3.43Å; Y1057-Q1083 WeakPolarHBondContact O-CG 3.19Å; Y1057-I1107 HydrophobicContact CD1-CG2 4.43Å; Y1057-I1108 CarbonylContact C-O 3.56Å; Y1057-I1108 WeakPolarHBondContact CA-O 3.47Å; Y1057-A1109 HydrophobicContact CD1-CB 4.11Å; Y1057-A1109 HydrophobicContact CE1-CB 4.06Å
1058	H	83.3	Confident	69.9	Low	73 Å²	73	61.4 Å²	61.4	34%	0.338	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.6	177.7	-58.9	-88.6	0	0	0	109.2	T1056 Q1083 I1107 I1108	T1056-H1058 PolarHBondContact OG1-NE2 2.8Å; H1058-Q1083 PolarHBondContact CE1-NE2 3.19Å; H1058-Q1083 VanDerWaalsContact CE1-NE2 3.33Å; H1058-I1107 CarbonylContact O-C 3.58Å; H1058-I1107 WeakPolarHBondContact O-CA 3.49Å; H1058-I1108 HydrophobicContact CB-CB 4.34Å; H1058-I1108 PolarHBondContact N-O 3.33Å; H1058-I1108 PolarHBondContact O-N 3.39Å
1059	L	83.4	Confident	67.5	Low	34 Å²	34	69 Å²	69	18%	0.178	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.4	176.9	-170.7	73.1	0	0	0	109.2	H1061 F1079 I1081 L1088 L1105 I1107	L1059-H1061 WeakPolarHBondContact CD2-CE1 3.42Å; L1059-H1061 WeakPolarHBondContact CD2-NE2 3.41Å; L1059-F1079 HydrophobicContact CD2-CB 4Å; L1059-F1079 WeakPolarHBondContact CD2-O 3.31Å; L1059-I1081 HydrophobicContact CB-CB 4.15Å; L1059-I1081 HydrophobicContact CB-CG2 3.61Å; L1059-L1088 HydrophobicContact CD1-CD1 3.89Å; L1059-L1088 HydrophobicContact CD2-CD1 4Å; L1059-L1105 HydrophobicContact CD1-CB 4.05Å; L1059-L1105 HydrophobicContact CD1-CD1 4.43Å; L1059-L1105 HydrophobicContact CD1-CD2 4.45Å; L1059-L1105 HydrophobicContact CD2-CD2 4.5Å; L1059-I1107 HydrophobicContact CD1-CG1 3.78Å
1060	D	79	Confident	65.5	Low	36 Å²	36	74 Å²	74	19%	0.193	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.7	169	-174.1	-4.3	0	0	0	109.3	N1062 C1106 I1108	D1060-N1062 VanDerWaalsContact C-N 3.31Å; D1060-N1062 PolarHBondContact OD1-N 2.91Å; D1060-C1106 HydrophobicContact CB-CB 4.14Å; D1060-C1106 PolarHBondContact N-O 2.98Å; D1060-C1106 PolarHBondContact O-N 3.31Å; D1060-I1108 HydrophobicContact CB-CD1 4.28Å
1061	H	67.9	Low	63.4	Low	58 Å²	58	78.5 Å²	78.5	27%	0.269	41%	0.412	S	S	.	.	S	Bend	trans	-77.1	-16.4	-179.8	-69.8	-75.9	0	0	0	113.5	L1059 Y1077 F1079 K1104 L1105	L1059-H1061 WeakPolarHBondContact CD2-CE1 3.42Å; L1059-H1061 WeakPolarHBondContact CD2-NE2 3.41Å; H1061-Y1077 AromaticContact CD2-CD1 3.19Å; H1061-Y1077 WeakPolarHBondContact CD2-CD1 3.41Å; H1061-Y1077 AromaticContact CD2-CE1 3.44Å; H1061-Y1077 VanDerWaalsContact CD2-CE1 3.44Å; H1061-Y1077 WeakPolarHBondContact CD2-CE1 3.34Å; H1061-Y1077 AromaticContact CE1-CD1 3.95Å; H1061-Y1077 AromaticContact CG-CD1 3.84Å; H1061-Y1077 AromaticContact NE2-CD1 3.27Å; H1061-Y1077 VanDerWaalsContact NE2-CD1 3.27Å; H1061-Y1077 WeakPolarHBondContact NE2-CD1 3.35Å; H1061-Y1077 AromaticContact NE2-CE1 3.99Å; H1061-F1079 PolarHBondContact CE1-O 3.46Å; H1061-F1079 VanDerWaalsContact CE1-O 3.28Å; H1061-F1079 PolarHBondContact NE2-O 3.47Å; H1061-K1104 VanDerWaalsContact O-O 3.14Å; H1061-L1105 HydrophobicContact CB-CD2 4.42Å; H1061-L1105 WeakPolarHBondContact ND1-CD2 3.2Å
1062	N	66.9	Low	61.4	Low	92 Å²	92	80 Å²	80	49%	0.492	42%	0.421	S	S	.	.			trans	-111.4	73.6	179	-95.2	-16.9	0	0	0	110	D1060 S1064 Q1065	D1060-N1062 VanDerWaalsContact C-N 3.31Å; D1060-N1062 PolarHBondContact OD1-N 2.91Å; N1062-S1064 PolarHBondContact O-N 2.91Å; N1062-Q1065 PolarHBondContact O-N 3.4Å
1063	C	65.6	Low	59.3	Low	31 Å²	31	88 Å²	88	21%	0.209	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-25.4	171.8	-92.3	0	0	0	0	113.6	L1105 C1106	C1063-L1105 PolarHBondContact SG-O 2.67Å; C1063-C1106 WeakPolarHBondContact CA-SG 3.44Å; C1063-C1106 HydrophobicContact CB-CB 4.28Å; C1063-C1106 WeakPolarHBondContact CB-SG 3.39Å; C1063-C1106 WeakPolarHBondContact SG-CA 3.11Å; C1063-C1106 WeakPolarHBondContact SG-CB 3.28Å; C1063-C1106 PolarHBondContact SG-N 3.34Å; C1063-C1106 CovalentContact SG-SG 2.05Å; C1063-C1106 PolarHBondContact SG-SG 2.86Å
1064	S	54.9	Low	57.2	Low	109 Å²	109	94.5 Å²	94.5	76%	0.762	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-7	-176.8	37.1	0	0	0	0	115.1	N1062	N1062-S1064 PolarHBondContact O-N 2.91Å
1065	Q	50.6	Low	55.3	Low	123 Å²	123	95.9 Å²	95.9	58%	0.575	49%	0.49	S	S	*	.			trans	-148.3	93.8	176.8	-71.5	-176.1	-12.3	0	0	108.9	N1062 N1067	N1062-Q1065 PolarHBondContact O-N 3.4Å; Q1065-N1067 PolarHBondContact O-N 2.85Å
1066	L	38.2	Very low	53.5	Low	74 Å²	74	100.8 Å²	100.8	39%	0.387	52%	0.517	S	S	.	.			trans	-71.1	55.1	170.9	-141.4	107.6	0	0	0	110.1	L1068 I1121	L1066-L1068 HydrophobicContact CD2-CD1 4.25Å; L1066-L1068 PolarHBondContact O-N 3.44Å; L1066-I1121 HydrophobicContact CD1-CD1 3.88Å
1067	N	38.6	Very low	52.4	Low	131 Å²	131	106.4 Å²	106.4	70%	0.701	54%	0.538	S	S	*	.			trans	-94.4	87.9	170.4	-86.4	-11.5	0	0	0	107.2	Q1065 F1069	Q1065-N1067 PolarHBondContact O-N 2.85Å; N1067-F1069 PolarHBondContact O-N 3.45Å
1068	L	38.2	Very low	51.6	Low	93 Å²	93	105.7 Å²	105.7	49%	0.487	54%	0.536	S	S	.	.			trans	-62.4	14	-177.4	-111.9	142.8	0	0	0	115.7	L1066	L1066-L1068 HydrophobicContact CD2-CD1 4.25Å; L1066-L1068 PolarHBondContact O-N 3.44Å
1069	F	34.9	Very low	51.3	Low	162 Å²	162	102.3 Å²	102.3	71%	0.711	52%	0.52	S	S	*	.			trans	-151.1	105	179.3	-63.9	-80.6	0	0	0	108.5	N1067	N1067-F1069 PolarHBondContact O-N 3.45Å
1070	N	31.7	Very low	51.1	Low	166 Å²	166	104.5 Å²	104.5	89%	0.888	53%	0.531	S	S	*	.			trans	-176.3	117.9	139.6	-90.7	-15.9	0	0	0	109
1071	N	32.2	Very low	51.3	Low	148 Å²	148	103.6 Å²	103.6	79%	0.791	53%	0.526	S	S	*	.			trans	-57	160.5	160.9	-70.1	-28.1	0	0	0	109.4
1072	D	33.1	Very low	52.1	Low	140 Å²	140	104.3 Å²	104.3	75%	0.749	53%	0.532	S	S	*	.			trans	81	78.4	174.3	-48.8	-27.6	0	0	0	114.5
1073	Y	33.8	Very low	52.9	Low	194 Å²	194	104.3 Å²	104.3	76%	0.761	53%	0.529	S	S	*	.				-152.7	120.4	124.1	-83.1	-64	0	0	0	109	L1075	Y1073-L1075 PolarHBondContact O-N 2.82Å
1074	L	34.8	Very low	53.7	Low	176 Å²	176	108.7 Å²	108.7	92%	0.921	55%	0.55	S	S	*	.			trans	-67.2	46.3	175.1	-123	139.8	0	0	0	111.2	N1076	L1074-N1076 PolarHBondContact O-N 2.83Å
1075	L	42.2	Very low	54.9	Low	125 Å²	125	105.3 Å²	105.3	65%	0.654	53%	0.526	S	S	*	.			trans	-71.1	121	167.6	-97.7	92.1	0	0	0	106.9	Y1073 Y1077	Y1073-L1075 PolarHBondContact O-N 2.82Å; L1075-Y1077 VanDerWaalsContact C-N 3.28Å; L1075-Y1077 WeakPolarHBondContact O-CD2 3.39Å; L1075-Y1077 PolarHBondContact O-N 3.04Å
1076	N	45.2	Very low	56.4	Low	128 Å²	128	99.5 Å²	99.5	68%	0.684	50%	0.499	S	S	*	.			trans	-48.8	91.7	171.4	-74.1	-40.7	0	0	0	110.1	L1074 L1078	L1074-N1076 PolarHBondContact O-N 2.83Å; N1076-L1078 PolarHBondContact O-N 2.83Å
1077	Y	60.7	Low	58.6	Low	123 Å²	123	96.6 Å²	96.6	48%	0.482	49%	0.485	S	S	.	.			trans	-63.4	103.3	179.6	-65.5	-67.4	0	0	0	107.4	H1061 L1075 F1079 I1091	H1061-Y1077 AromaticContact CD2-CD1 3.19Å; H1061-Y1077 WeakPolarHBondContact CD2-CD1 3.41Å; H1061-Y1077 AromaticContact CD2-CE1 3.44Å; H1061-Y1077 VanDerWaalsContact CD2-CE1 3.44Å; H1061-Y1077 WeakPolarHBondContact CD2-CE1 3.34Å; H1061-Y1077 AromaticContact CE1-CD1 3.95Å; H1061-Y1077 AromaticContact CG-CD1 3.84Å; H1061-Y1077 AromaticContact NE2-CD1 3.27Å; H1061-Y1077 VanDerWaalsContact NE2-CD1 3.27Å; H1061-Y1077 WeakPolarHBondContact NE2-CD1 3.35Å; H1061-Y1077 AromaticContact NE2-CE1 3.99Å; L1075-Y1077 VanDerWaalsContact C-N 3.28Å; L1075-Y1077 WeakPolarHBondContact O-CD2 3.39Å; L1075-Y1077 PolarHBondContact O-N 3.04Å; Y1077-F1079 VanDerWaalsContact C-N 3.26Å; Y1077-I1091 WeakPolarHBondContact O-CD1 3.45Å; Y1077-I1091 WeakPolarHBondContact O-CG1 3.48Å
1078	L	67.7	Low	60.7	Low	4 Å²	4	90.4 Å²	90.4	2%	0.021	45%	0.452	C	S	.	.			trans	-73.5	-28.2	-176.6	-161.1	100.3	0	0	0	111.3	N1076 I1090 I1091 S1092 F1094 K1098 Y1103 I1128	N1076-L1078 PolarHBondContact O-N 2.83Å; L1078-I1090 HydrophobicContact CD2-CG2 4.31Å; L1078-I1090 HydrophobicContact CG-CG2 4.3Å; L1078-I1090 CarbonylContact O-C 3.54Å; L1078-I1090 VanDerWaalsContact O-CA 3.29Å; L1078-I1090 WeakPolarHBondContact O-CA 3.34Å; L1078-I1091 PolarHBondContact O-N 3.32Å; L1078-S1092 WeakPolarHBondContact CD1-OG 3.23Å; L1078-F1094 HydrophobicContact CD1-CE1 4.28Å; L1078-F1094 HydrophobicContact CD2-CE1 3.52Å; L1078-F1094 HydrophobicContact CD2-CZ 3.92Å; L1078-F1094 HydrophobicContact CG-CE1 4.42Å; L1078-K1098 HydrophobicContact CD1-CD 3.71Å; L1078-Y1103 HydrophobicContact CD2-CE2 4.43Å; L1078-I1128 HydrophobicContact CD2-CD1 3.99Å
1079	F	77.2	Confident	62.6	Low	1 Å²	1	86.7 Å²	86.7	0%	0.004	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.3	-173.9	-56.9	-82.8	0	0	0	111	F1039 L1059 H1061 Y1077 L1088 S1089 I1090 Y1103 L1105 I1126 I1128	F1039-F1079 AromaticContact CE1-CD1 3.96Å; F1039-F1079 HydrophobicContact CE1-CD1 3.96Å; F1039-F1079 HydrophobicContact CE1-CE1 4.14Å; F1039-F1079 AromaticContact CZ-CD1 3.75Å; F1039-F1079 HydrophobicContact CZ-CD1 3.75Å; F1039-F1079 AromaticContact CZ-CE1 3.8Å; F1039-F1079 HydrophobicContact CZ-CE1 3.8Å; L1059-F1079 HydrophobicContact CD2-CB 4Å; L1059-F1079 WeakPolarHBondContact CD2-O 3.31Å; H1061-F1079 PolarHBondContact CE1-O 3.46Å; H1061-F1079 VanDerWaalsContact CE1-O 3.28Å; H1061-F1079 PolarHBondContact NE2-O 3.47Å; Y1077-F1079 VanDerWaalsContact C-N 3.26Å; F1079-L1088 HydrophobicContact CB-CD1 4.1Å; F1079-S1089 CarbonylContact C-O 3.57Å; F1079-S1089 VanDerWaalsContact CA-O 3.23Å; F1079-S1089 WeakPolarHBondContact CA-O 3.49Å; F1079-I1090 HydrophobicContact CD1-CG1 3.6Å; F1079-I1090 HydrophobicContact CE1-CD1 3.95Å; F1079-I1090 HydrophobicContact CE1-CG1 3.42Å; F1079-I1090 VanDerWaalsContact CE1-CG1 3.42Å; F1079-I1090 HydrophobicContact CZ-CG1 4.41Å; F1079-Y1103 HydrophobicContact CE2-CD1 4.18Å; F1079-Y1103 AromaticContact CE2-CD2 3.87Å; F1079-Y1103 HydrophobicContact CE2-CD2 3.87Å; F1079-Y1103 HydrophobicContact CE2-CE2 4.41Å; F1079-Y1103 AromaticContact CE2-CG 3.76Å; F1079-Y1103 HydrophobicContact CE2-CG 3.76Å; F1079-Y1103 HydrophobicContact CZ-CD2 4.37Å; F1079-L1105 HydrophobicContact CB-CD1 4.25Å; F1079-L1105 HydrophobicContact CD2-CD1 3.73Å; F1079-L1105 HydrophobicContact CD2-CD2 4.39Å; F1079-L1105 HydrophobicContact CE2-CD1 4.19Å; F1079-L1105 HydrophobicContact CG-CD1 3.93Å; F1079-I1126 HydrophobicContact CD1-CD1 4.01Å; F1079-I1126 HydrophobicContact CD2-CD1 4.5Å; F1079-I1126 HydrophobicContact CE1-CD1 3.49Å; F1079-I1126 VanDerWaalsContact CE1-CD1 3.49Å; F1079-I1126 HydrophobicContact CE1-CG2 4.35Å; F1079-I1126 HydrophobicContact CE2-CD1 4.05Å; F1079-I1126 HydrophobicContact CG-CD1 4.48Å; F1079-I1126 HydrophobicContact CZ-CB 4.21Å; F1079-I1126 HydrophobicContact CZ-CD1 3.52Å; F1079-I1126 HydrophobicContact CZ-CG1 4.46Å; F1079-I1126 HydrophobicContact CZ-CG2 3.77Å; F1079-I1128 HydrophobicContact CZ-CD1 4.27Å
1080	I	79.6	Confident	64.5	Low	80 Å²	80	79.4 Å²	79.4	41%	0.41	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.9	168.7	-59.1	-177.1	0	0	0	107.7	L1088 S1089 I1091	I1080-L1088 CarbonylContact O-C 3.52Å; I1080-L1088 WeakPolarHBondContact O-CA 3.42Å; I1080-S1089 PolarHBondContact N-O 2.87Å; I1080-S1089 PolarHBondContact O-N 2.92Å; I1080-I1091 HydrophobicContact CB-CG2 4.1Å; I1080-I1091 HydrophobicContact CD1-CB 4.38Å; I1080-I1091 HydrophobicContact CD1-CD1 3.7Å; I1080-I1091 HydrophobicContact CD1-CG2 3.41Å; I1080-I1091 VanDerWaalsContact CD1-CG2 3.41Å; I1080-I1091 HydrophobicContact CG1-CD1 3.92Å; I1080-I1091 HydrophobicContact CG1-CG2 3.51Å
1081	I	83.9	Confident	66.2	Low	17 Å²	17	74.4 Å²	74.4	9%	0.087	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.2	168.4	-158.3	165.8	0	0	0	109.5	F1042 L1059 Q1083 C1087 L1088 I1107	F1042-I1081 HydrophobicContact CD2-CD1 3.99Å; L1059-I1081 HydrophobicContact CB-CB 4.15Å; L1059-I1081 HydrophobicContact CB-CG2 3.61Å; I1081-Q1083 PolarHBondContact O-N 2.95Å; I1081-C1087 WeakPolarHBondContact CA-O 3.32Å; I1081-L1088 HydrophobicContact CB-CD1 4.02Å; I1081-L1088 HydrophobicContact CG1-CD1 4.42Å; I1081-I1107 HydrophobicContact CD1-CD1 4.02Å; I1081-I1107 HydrophobicContact CD1-CG1 4.16Å; I1081-I1107 HydrophobicContact CD1-CG2 3.61Å
1082	D	83.3	Confident	67.7	Low	74 Å²	74	68.9 Å²	68.9	40%	0.396	35%	0.348	S	S	.	.			trans	-73.3	124.5	167.8	176.2	20.2	0	0	0	109.7	L1084 S1085 G1086 C1087	D1082-L1084 PolarHBondContact O-N 3.29Å; D1082-L1084 PolarHBondContact OD1-N 3.13Å; D1082-S1085 VanDerWaalsContact CB-OG 3.29Å; D1082-S1085 WeakPolarHBondContact CB-OG 3.29Å; D1082-S1085 VanDerWaalsContact CG-OG 3.26Å; D1082-S1085 WeakPolarHBondContact OD2-CB 3.45Å; D1082-S1085 PolarHBondContact OD2-N 3.05Å; D1082-S1085 PolarHBondContact OD2-OG 3.26Å; D1082-G1086 WeakPolarHBondContact O-CA 3.41Å; D1082-G1086 PolarHBondContact O-N 2.97Å; D1082-C1087 PolarHBondContact N-O 3.35Å
1083	Q	84	Confident	69	Low	92 Å²	92	66.1 Å²	66.1	43%	0.43	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.7	-173.9	-174.4	179.1	-7.4	0	0	112.9	T1056 Y1057 H1058 I1081	T1056-Q1083 WeakPolarHBondContact CA-O 3.25Å; T1056-Q1083 HydrophobicContact CG2-CG 3.79Å; Y1057-Q1083 PolarHBondContact N-O 2.73Å; Y1057-Q1083 VanDerWaalsContact O-CA 3.3Å; Y1057-Q1083 WeakPolarHBondContact O-CA 3.43Å; Y1057-Q1083 WeakPolarHBondContact O-CG 3.19Å; H1058-Q1083 PolarHBondContact CE1-NE2 3.19Å; H1058-Q1083 VanDerWaalsContact CE1-NE2 3.33Å; I1081-Q1083 PolarHBondContact O-N 2.95Å
1084	L	82.3	Confident	70.3	Confident	123 Å²	123	58.4 Å²	58.4	64%	0.644	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-50	-178.7	-65.4	175	0	0	0	112.8	D1082 G1086	D1082-L1084 PolarHBondContact O-N 3.29Å; D1082-L1084 PolarHBondContact OD1-N 3.13Å; L1084-G1086 VanDerWaalsContact C-N 3.34Å
1085	S	81.5	Confident	71.4	Confident	38 Å²	38	56.4 Å²	56.4	27%	0.266	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16	-177.1	66	0	0	0	0	114	Q1041 D1082 C1087	Q1041-S1085 VanDerWaalsContact CG-O 3.26Å; Q1041-S1085 WeakPolarHBondContact CG-O 3.36Å; Q1041-S1085 PolarHBondContact NE2-O 3.39Å; D1082-S1085 VanDerWaalsContact CB-OG 3.29Å; D1082-S1085 WeakPolarHBondContact CB-OG 3.29Å; D1082-S1085 VanDerWaalsContact CG-OG 3.26Å; D1082-S1085 WeakPolarHBondContact OD2-CB 3.45Å; D1082-S1085 PolarHBondContact OD2-N 3.05Å; D1082-S1085 PolarHBondContact OD2-OG 3.26Å; S1085-C1087 PolarHBondContact O-N 3.39Å; S1085-C1087 WeakPolarHBondContact OG-CB 3.35Å; S1085-C1087 PolarHBondContact OG-N 2.97Å
1086	G	81.3	Confident	72.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.			trans	68	15.4	-171.4	0	0	0	0	0	112.8	F1042 D1082 L1084 L1088	F1042-G1086 WeakPolarHBondContact CD2-O 3.33Å; F1042-G1086 PolarHBondContact N-O 3.39Å; D1082-G1086 WeakPolarHBondContact O-CA 3.41Å; D1082-G1086 PolarHBondContact O-N 2.97Å; L1084-G1086 VanDerWaalsContact C-N 3.34Å; G1086-L1088 PolarHBondContact O-N 3.37Å
1087	C	84.7	Confident	72.7	Confident	14 Å²	14	60.9 Å²	60.9	10%	0.095	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.1	179.2	-94.6	0	0	0	0	112.4	C986 I1081 D1082 S1085	C986-C1087 HydrophobicContact CB-CB 4.13Å; C986-C1087 WeakPolarHBondContact CB-SG 3.38Å; C986-C1087 WeakPolarHBondContact SG-CA 3.28Å; C986-C1087 WeakPolarHBondContact SG-CB 3.24Å; C986-C1087 CovalentContact SG-SG 2.04Å; C986-C1087 PolarHBondContact SG-SG 3.22Å; I1081-C1087 WeakPolarHBondContact CA-O 3.32Å; D1082-C1087 PolarHBondContact N-O 3.35Å; S1085-C1087 PolarHBondContact O-N 3.39Å; S1085-C1087 WeakPolarHBondContact OG-CB 3.35Å; S1085-C1087 PolarHBondContact OG-N 2.97Å
1088	L	82.4	Confident	72.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.4	175.3	-169.8	70.6	0	0	0	110.3	S1038 F1039 I1040 F1042 L1059 F1079 I1080 I1081 G1086 L1124 I1126	S1038-L1088 WeakPolarHBondContact CA-O 3.38Å; F1039-L1088 VanDerWaalsContact CD1-O 3.23Å; F1039-L1088 WeakPolarHBondContact CD1-O 3.48Å; F1039-L1088 HydrophobicContact CE1-CB 4.45Å; F1039-L1088 HydrophobicContact CE1-CD2 4.43Å; F1039-L1088 HydrophobicContact CE1-CG 4.07Å; F1039-L1088 VanDerWaalsContact CE1-O 3.3Å; F1039-L1088 WeakPolarHBondContact CE1-O 3.19Å; F1039-L1088 HydrophobicContact CE2-CB 4.47Å; F1039-L1088 HydrophobicContact CE2-CD2 3.8Å; F1039-L1088 HydrophobicContact CE2-CG 4.23Å; F1039-L1088 HydrophobicContact CZ-CB 4.1Å; F1039-L1088 HydrophobicContact CZ-CD2 3.44Å; F1039-L1088 VanDerWaalsContact CZ-CD2 3.44Å; F1039-L1088 HydrophobicContact CZ-CG 3.55Å; F1039-L1088 PolarHBondContact N-O 3.46Å; I1040-L1088 PolarHBondContact O-N 3.2Å; F1042-L1088 HydrophobicContact CD2-CB 4.3Å; F1042-L1088 HydrophobicContact CE2-CB 3.73Å; F1042-L1088 HydrophobicContact CE2-CD2 3.92Å; F1042-L1088 HydrophobicContact CE2-CG 4.41Å; F1042-L1088 HydrophobicContact CZ-CD2 4.37Å; L1059-L1088 HydrophobicContact CD1-CD1 3.89Å; L1059-L1088 HydrophobicContact CD2-CD1 4Å; F1079-L1088 HydrophobicContact CB-CD1 4.1Å; I1080-L1088 CarbonylContact O-C 3.52Å; I1080-L1088 WeakPolarHBondContact O-CA 3.42Å; I1081-L1088 HydrophobicContact CB-CD1 4.02Å; I1081-L1088 HydrophobicContact CG1-CD1 4.42Å; G1086-L1088 PolarHBondContact O-N 3.37Å; L1088-L1124 HydrophobicContact CD2-CD2 4.06Å; L1088-I1126 HydrophobicContact CD2-CD1 4.22Å
1089	S	77.4	Confident	72.4	Confident	16 Å²	16	57 Å²	57	11%	0.112	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.4	-173.8	-53.4	0	0	0	0	111.8	H1037 S1038 F1079 I1080	H1037-S1089 VanDerWaalsContact O-CA 3.31Å; H1037-S1089 WeakPolarHBondContact O-CA 3.41Å; S1038-S1089 VanDerWaalsContact CA-OG 3.27Å; S1038-S1089 WeakPolarHBondContact CA-OG 3.15Å; S1038-S1089 WeakPolarHBondContact CB-OG 3.38Å; F1079-S1089 CarbonylContact C-O 3.57Å; F1079-S1089 VanDerWaalsContact CA-O 3.23Å; F1079-S1089 WeakPolarHBondContact CA-O 3.49Å; I1080-S1089 PolarHBondContact N-O 2.87Å; I1080-S1089 PolarHBondContact O-N 2.92Å
1090	I	74.6	Confident	71.7	Confident	9 Å²	9	64.4 Å²	64.4	5%	0.046	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.9	171.5	-70.2	145.4	0	0	0	109.3	L1027 L1036 H1037 F1039 L1078 F1079 F1094 I1140	L1027-I1090 HydrophobicContact CD1-CD1 3.44Å; L1027-I1090 VanDerWaalsContact CD1-CD1 3.44Å; L1036-I1090 WeakPolarHBondContact CA-O 3.35Å; H1037-I1090 PolarHBondContact O-N 3.34Å; H1037-I1090 VanDerWaalsContact O-N 3.07Å; F1039-I1090 HydrophobicContact CD1-CD1 3.78Å; F1039-I1090 HydrophobicContact CD1-CG1 4.13Å; F1039-I1090 HydrophobicContact CE1-CD1 3.63Å; F1039-I1090 HydrophobicContact CE1-CG1 3.6Å; F1039-I1090 HydrophobicContact CZ-CD1 4.35Å; F1039-I1090 HydrophobicContact CZ-CG1 4.4Å; L1078-I1090 HydrophobicContact CD2-CG2 4.31Å; L1078-I1090 HydrophobicContact CG-CG2 4.3Å; L1078-I1090 CarbonylContact O-C 3.54Å; L1078-I1090 VanDerWaalsContact O-CA 3.29Å; L1078-I1090 WeakPolarHBondContact O-CA 3.34Å; F1079-I1090 HydrophobicContact CD1-CG1 3.6Å; F1079-I1090 HydrophobicContact CE1-CD1 3.95Å; F1079-I1090 HydrophobicContact CE1-CG1 3.42Å; F1079-I1090 VanDerWaalsContact CE1-CG1 3.42Å; F1079-I1090 HydrophobicContact CZ-CG1 4.41Å; I1090-F1094 HydrophobicContact CD1-CE2 4.43Å; I1090-F1094 HydrophobicContact CD1-CZ 4.07Å; I1090-F1094 HydrophobicContact CG1-CZ 4.45Å; I1090-F1094 HydrophobicContact CG2-CE2 4.21Å; I1090-F1094 HydrophobicContact CG2-CZ 3.95Å; I1090-I1140 HydrophobicContact CD1-CD1 3.5Å; I1090-I1140 VanDerWaalsContact CD1-CD1 3.5Å
1091	I	68.8	Low	71.1	Confident	61 Å²	61	62.7 Å²	62.7	31%	0.313	30%	0.299	S	S	.	.			trans	-108.2	-7.1	-171.4	68.1	172.1	0	0	0	115.9	L1036 Y1077 L1078 I1080	L1036-I1091 HydrophobicContact CD2-CB 4.43Å; L1036-I1091 HydrophobicContact CD2-CG2 3.44Å; L1036-I1091 VanDerWaalsContact CD2-CG2 3.44Å; L1036-I1091 HydrophobicContact CG-CG2 4.09Å; Y1077-I1091 WeakPolarHBondContact O-CD1 3.45Å; Y1077-I1091 WeakPolarHBondContact O-CG1 3.48Å; L1078-I1091 PolarHBondContact O-N 3.32Å; I1080-I1091 HydrophobicContact CB-CG2 4.1Å; I1080-I1091 HydrophobicContact CD1-CB 4.38Å; I1080-I1091 HydrophobicContact CD1-CD1 3.7Å; I1080-I1091 HydrophobicContact CD1-CG2 3.41Å; I1080-I1091 VanDerWaalsContact CD1-CG2 3.41Å; I1080-I1091 HydrophobicContact CG1-CD1 3.92Å; I1080-I1091 HydrophobicContact CG1-CG2 3.51Å
1092	S	62.5	Low	70.3	Confident	32 Å²	32	65.9 Å²	65.9	22%	0.224	32%	0.319	C	S	.	.	S	Bend	trans	-138.8	146.3	-179.7	68.2	0	0	0	0	111.6	L1078 K1098	L1078-S1092 WeakPolarHBondContact CD1-OG 3.23Å; S1092-K1098 PolarHBondContact OG-NZ 2.72Å; S1092-K1098 VanDerWaalsContact OG-NZ 3.09Å
1093	K	60.5	Low	69.9	Low	81 Å²	81	65.2 Å²	65.2	35%	0.352	31%	0.312	S	S	.	.			trans	-62.7	142.9	177	-159.4	166.3	-179.4	168.9	0	111	K1029 S1031 F1095	K1029-K1093 WeakPolarHBondContact O-CE 3.15Å; S1031-K1093 PolarHBondContact O-NZ 2.9Å; K1093-F1095 PolarHBondContact O-N 3.49Å
1094	F	61.1	Low	69.4	Low	32 Å²	32	67.2 Å²	67.2	14%	0.14	32%	0.319	C	S	.	.			trans	-72.8	109.5	177.5	-66.9	-71.7	0	0	0	110.9	L1027 L1078 I1090 K1098 I1128 I1140	L1027-F1094 HydrophobicContact CD1-CE2 4.11Å; L1078-F1094 HydrophobicContact CD1-CE1 4.28Å; L1078-F1094 HydrophobicContact CD2-CE1 3.52Å; L1078-F1094 HydrophobicContact CD2-CZ 3.92Å; L1078-F1094 HydrophobicContact CG-CE1 4.42Å; I1090-F1094 HydrophobicContact CD1-CE2 4.43Å; I1090-F1094 HydrophobicContact CD1-CZ 4.07Å; I1090-F1094 HydrophobicContact CG1-CZ 4.45Å; I1090-F1094 HydrophobicContact CG2-CE2 4.21Å; I1090-F1094 HydrophobicContact CG2-CZ 3.95Å; F1094-K1098 HydrophobicContact CD1-CB 4.4Å; F1094-I1128 HydrophobicContact CD1-CD1 4.22Å; F1094-I1128 HydrophobicContact CD1-CG2 4.12Å; F1094-I1128 HydrophobicContact CE1-CD1 3.3Å; F1094-I1128 HydrophobicContact CE1-CG1 4.49Å; F1094-I1128 HydrophobicContact CE1-CG2 3.99Å; F1094-I1128 HydrophobicContact CZ-CD1 3.86Å; F1094-I1128 HydrophobicContact CZ-CG2 4.48Å; F1094-I1140 HydrophobicContact CE2-CD1 3.94Å; F1094-I1140 HydrophobicContact CZ-CD1 3.57Å
1095	F	57.8	Low	69.3	Low	134 Å²	134	61.5 Å²	61.5	59%	0.588	29%	0.289	S	S	*	.			trans	-79.7	156.7	164.8	-64.6	-77.5	0	0	0	110.1	K1093 E1097 K1098	K1093-F1095 PolarHBondContact O-N 3.49Å; F1095-E1097 PolarHBondContact O-N 2.76Å; F1095-E1097 VanDerWaalsContact O-N 3.08Å; F1095-K1098 PolarHBondContact O-N 2.96Å
1096	Y	57.4	Low	69.2	Low	164 Å²	164	59.8 Å²	59.8	64%	0.643	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-52.9	-32.9	-178.8	-94.9	-86.6	0	0	0	113.3	K1029 K1098 L1099	K1029-Y1096 PolarHBondContact NZ-OH 2.65Å; K1029-Y1096 VanDerWaalsContact NZ-OH 3.15Å; Y1096-K1098 VanDerWaalsContact C-N 3.27Å; Y1096-K1098 PolarHBondContact O-N 2.82Å; Y1096-L1099 HydrophobicContact CD1-CD1 4.16Å; Y1096-L1099 PolarHBondContact O-N 2.69Å
1097	E	57.5	Low	69.2	Low	183 Å²	183	59.8 Å²	59.8	86%	0.855	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.6	177.1	-63.9	178.4	174.4	0	0	114.1	F1095	F1095-E1097 PolarHBondContact O-N 2.76Å; F1095-E1097 VanDerWaalsContact O-N 3.08Å
1098	K	60.4	Low	69.1	Low	34 Å²	34	60.3 Å²	60.3	15%	0.148	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-92.9	-11.9	-179.2	-63.9	177.5	174.5	-179.8	0	112.9	L1078 S1092 F1094 F1095 Y1096 T1101	L1078-K1098 HydrophobicContact CD1-CD 3.71Å; S1092-K1098 PolarHBondContact OG-NZ 2.72Å; S1092-K1098 VanDerWaalsContact OG-NZ 3.09Å; F1094-K1098 HydrophobicContact CD1-CB 4.4Å; F1095-K1098 PolarHBondContact O-N 2.96Å; Y1096-K1098 VanDerWaalsContact C-N 3.27Å; Y1096-K1098 PolarHBondContact O-N 2.82Å; K1098-T1101 PolarHBondContact O-OG1 2.71Å
1099	L	62.8	Low	69.2	Low	12 Å²	12	60.3 Å²	60.3	6%	0.063	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	144.8	175.3	-66.9	168.9	0	0	0	109.8	Y1096 T1101 I1128 L1130	Y1096-L1099 HydrophobicContact CD1-CD1 4.16Å; Y1096-L1099 PolarHBondContact O-N 2.69Å; L1099-T1101 VanDerWaalsContact C-N 3.31Å; L1099-I1128 HydrophobicContact CD2-CG2 4.27Å; L1099-L1130 HydrophobicContact CD1-CD1 3.58Å; L1099-L1130 HydrophobicContact CD2-CD1 4.13Å
1100	Y	63	Low	69.5	Low	157 Å²	157	61.8 Å²	61.8	62%	0.616	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	21.5	-175.3	-44.7	-76.9	0	0	0	115.1	I1128 L1130	Y1100-I1128 WeakPolarHBondContact CA-O 3.33Å; Y1100-I1128 PolarHBondContact N-O 2.88Å; Y1100-L1130 HydrophobicContact CE1-CB 4.49Å; Y1100-L1130 WeakPolarHBondContact OH-CB 3.18Å
1101	T	66	Low	69.8	Low	43 Å²	43	61.4 Å²	61.4	26%	0.264	28%	0.281	S	S	.	.			trans	-99	144.3	175.3	59.3	0	0	0	0	111.7	K1098 L1099 Y1103 I1128	K1098-T1101 PolarHBondContact O-OG1 2.71Å; L1099-T1101 VanDerWaalsContact C-N 3.31Å; T1101-Y1103 WeakPolarHBondContact OG1-CE2 3.46Å; T1101-Y1103 PolarHBondContact OG1-OH 2.01Å; T1101-I1128 PolarHBondContact O-N 2.7Å; T1101-I1128 VanDerWaalsContact O-N 3.13Å
1102	T	67.6	Low	70.2	Confident	84 Å²	84	61.1 Å²	61.1	52%	0.515	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.2	177.2	-23.4	0	0	0	0	110	L1125 I1126 E1127	T1102-L1125 HydrophobicContact CG2-CD2 3.42Å; T1102-L1125 VanDerWaalsContact CG2-CD2 3.42Å; T1102-I1126 CarbonylContact C-O 3.35Å; T1102-I1126 VanDerWaalsContact CA-O 3.28Å; T1102-I1126 WeakPolarHBondContact CA-O 3.45Å; T1102-E1127 HydrophobicContact CG2-CB 4.01Å; T1102-E1127 HydrophobicContact CG2-CG 4.22Å
1103	Y	74.1	Confident	70.4	Confident	60 Å²	60	59.6 Å²	59.6	24%	0.235	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.7	178.4	-63.9	-92.3	0	0	0	110.7	L1078 F1079 T1101 L1125 I1126 I1128	L1078-Y1103 HydrophobicContact CD2-CE2 4.43Å; F1079-Y1103 HydrophobicContact CE2-CD1 4.18Å; F1079-Y1103 AromaticContact CE2-CD2 3.87Å; F1079-Y1103 HydrophobicContact CE2-CD2 3.87Å; F1079-Y1103 HydrophobicContact CE2-CE2 4.41Å; F1079-Y1103 AromaticContact CE2-CG 3.76Å; F1079-Y1103 HydrophobicContact CE2-CG 3.76Å; F1079-Y1103 HydrophobicContact CZ-CD2 4.37Å; T1101-Y1103 WeakPolarHBondContact OG1-CE2 3.46Å; T1101-Y1103 PolarHBondContact OG1-OH 2.01Å; Y1103-L1125 CarbonylContact O-C 3.41Å; Y1103-L1125 WeakPolarHBondContact O-CA 3.34Å; Y1103-I1126 PolarHBondContact N-O 3.01Å; Y1103-I1126 PolarHBondContact O-N 3.01Å; Y1103-I1128 HydrophobicContact CD2-CD1 4.01Å; Y1103-I1128 HydrophobicContact CD2-CG1 4.45Å; Y1103-I1128 HydrophobicContact CE2-CD1 3.68Å; Y1103-I1128 HydrophobicContact CE2-CG1 4.38Å
1104	K	74.3	Confident	70.6	Confident	135 Å²	135	62.9 Å²	62.9	59%	0.587	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.6	172	-67.4	-176.8	178.5	176.5	0	108.7	H1061 L1124 L1125	H1061-K1104 VanDerWaalsContact O-O 3.14Å; K1104-L1124 CarbonylContact C-O 3.47Å; K1104-L1124 WeakPolarHBondContact CA-O 3.29Å; K1104-L1125 HydrophobicContact CG-CD2 3.71Å; K1104-L1125 HydrophobicContact CG-CG 3.93Å
1105	L	79.1	Confident	70.6	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.7	-175.9	-58.3	166.8	0	0	0	109.7	L1059 H1061 C1063 F1079 L1124 I1126	L1059-L1105 HydrophobicContact CD1-CB 4.05Å; L1059-L1105 HydrophobicContact CD1-CD1 4.43Å; L1059-L1105 HydrophobicContact CD1-CD2 4.45Å; L1059-L1105 HydrophobicContact CD2-CD2 4.5Å; H1061-L1105 HydrophobicContact CB-CD2 4.42Å; H1061-L1105 WeakPolarHBondContact ND1-CD2 3.2Å; C1063-L1105 PolarHBondContact SG-O 2.67Å; F1079-L1105 HydrophobicContact CB-CD1 4.25Å; F1079-L1105 HydrophobicContact CD2-CD1 3.73Å; F1079-L1105 HydrophobicContact CD2-CD2 4.39Å; F1079-L1105 HydrophobicContact CE2-CD1 4.19Å; F1079-L1105 HydrophobicContact CG-CD1 3.93Å; L1105-L1124 HydrophobicContact CB-CB 4.18Å; L1105-L1124 PolarHBondContact N-O 3.32Å; L1105-L1124 PolarHBondContact O-N 2.93Å; L1105-I1126 HydrophobicContact CD1-CD1 3.51Å; L1105-I1126 HydrophobicContact CD1-CG1 4.27Å
1106	C	80.3	Confident	71	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.02	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121	175.7	-84	0	0	0	0	108.1	D1060 C1063 I1121 L1122	D1060-C1106 HydrophobicContact CB-CB 4.14Å; D1060-C1106 PolarHBondContact N-O 2.98Å; D1060-C1106 PolarHBondContact O-N 3.31Å; C1063-C1106 WeakPolarHBondContact CA-SG 3.44Å; C1063-C1106 HydrophobicContact CB-CB 4.28Å; C1063-C1106 WeakPolarHBondContact CB-SG 3.39Å; C1063-C1106 WeakPolarHBondContact SG-CA 3.11Å; C1063-C1106 WeakPolarHBondContact SG-CB 3.28Å; C1063-C1106 PolarHBondContact SG-N 3.34Å; C1063-C1106 CovalentContact SG-SG 2.05Å; C1063-C1106 PolarHBondContact SG-SG 2.86Å; C1106-I1121 HydrophobicContact CB-CG2 4.07Å; C1106-L1122 CarbonylContact C-O 3.53Å; C1106-L1122 WeakPolarHBondContact CA-O 3.44Å
1107	I	82.1	Confident	71.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.1	176.7	-61.2	172.4	0	0	0	107.4	F979 F1042 Y1057 H1058 L1059 I1081 I1121 L1122 L1124	F979-I1107 HydrophobicContact CE1-CG2 3.93Å; F979-I1107 HydrophobicContact CZ-CB 4.49Å; F979-I1107 HydrophobicContact CZ-CG2 3.98Å; F979-I1107 WeakPolarHBondContact CZ-O 3.46Å; F1042-I1107 HydrophobicContact CD1-CD1 3.71Å; F1042-I1107 HydrophobicContact CD2-CD1 3.4Å; F1042-I1107 VanDerWaalsContact CD2-CD1 3.4Å; F1042-I1107 HydrophobicContact CE1-CD1 3.46Å; F1042-I1107 VanDerWaalsContact CE1-CD1 3.46Å; F1042-I1107 HydrophobicContact CE2-CD1 3.14Å; F1042-I1107 HydrophobicContact CG-CD1 3.7Å; F1042-I1107 HydrophobicContact CG-CG2 4.5Å; F1042-I1107 HydrophobicContact CZ-CD1 3.17Å; Y1057-I1107 HydrophobicContact CD1-CG2 4.43Å; H1058-I1107 CarbonylContact O-C 3.58Å; H1058-I1107 WeakPolarHBondContact O-CA 3.49Å; L1059-I1107 HydrophobicContact CD1-CG1 3.78Å; I1081-I1107 HydrophobicContact CD1-CD1 4.02Å; I1081-I1107 HydrophobicContact CD1-CG1 4.16Å; I1081-I1107 HydrophobicContact CD1-CG2 3.61Å; I1107-I1121 CarbonylContact O-C 3.58Å; I1107-I1121 WeakPolarHBondContact O-CA 3.16Å; I1107-L1122 HydrophobicContact CB-CB 4.3Å; I1107-L1122 PolarHBondContact N-O 2.74Å; I1107-L1122 PolarHBondContact O-N 2.77Å; I1107-L1124 HydrophobicContact CD1-CD1 4.27Å
1108	I	82.3	Confident	72.6	Confident	25 Å²	25	52.5 Å²	52.5	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.7	-176.8	-51.5	176.5	0	0	0	107.4	Y1057 H1058 D1060 Y1119 S1120 I1121	Y1057-I1108 CarbonylContact C-O 3.56Å; Y1057-I1108 WeakPolarHBondContact CA-O 3.47Å; H1058-I1108 HydrophobicContact CB-CB 4.34Å; H1058-I1108 PolarHBondContact N-O 3.33Å; H1058-I1108 PolarHBondContact O-N 3.39Å; D1060-I1108 HydrophobicContact CB-CD1 4.28Å; I1108-Y1119 HydrophobicContact CG2-CD2 4.04Å; I1108-Y1119 HydrophobicContact CG2-CG 4.34Å; I1108-S1120 WeakPolarHBondContact CA-O 2.96Å; I1108-I1121 HydrophobicContact CG1-CG1 4.2Å; I1108-I1121 HydrophobicContact CG2-CG1 4.42Å
1109	A	83.8	Confident	73.4	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120	170.3	0	0	0	0	0	108.3	P977 F979 T1044 I1055 T1056 Y1057 Y1119 S1120	P977-A1109 HydrophobicContact CB-CB 4.37Å; F979-A1109 HydrophobicContact CE1-CB 4.03Å; F979-A1109 HydrophobicContact CE2-CB 3.72Å; F979-A1109 HydrophobicContact CZ-CB 3.41Å; F979-A1109 VanDerWaalsContact CZ-CB 3.41Å; T1044-A1109 HydrophobicContact CG2-CB 3.53Å; I1055-A1109 HydrophobicContact CG2-CB 3.86Å; T1056-A1109 WeakPolarHBondContact O-CA 3.47Å; Y1057-A1109 HydrophobicContact CD1-CB 4.11Å; Y1057-A1109 HydrophobicContact CE1-CB 4.06Å; A1109-Y1119 CarbonylContact O-C 3.49Å; A1109-Y1119 WeakPolarHBondContact O-CA 3.19Å; A1109-Y1119 VanDerWaalsContact O-CB 3.28Å; A1109-Y1119 WeakPolarHBondContact O-CB 3.34Å; A1109-S1120 PolarHBondContact N-O 3.31Å; A1109-S1120 PolarHBondContact O-N 2.78Å
1110	K	82.8	Confident	74.2	Confident	47 Å²	47	51.5 Å²	51.5	20%	0.204	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.6	-171.7	-172.8	-161.9	172.6	-165.9	0	109.7	I1055 T1056	I1055-K1110 CarbonylContact C-O 3.26Å; I1055-K1110 WeakPolarHBondContact CA-O 3.31Å; T1056-K1110 PolarHBondContact N-O 3.17Å; T1056-K1110 PolarHBondContact O-N 2.85Å
1111	D	82.1	Confident	74.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.			trans	-72.2	172.3	172.2	78.4	11.5	0	0	0	111.7	N973 P977 D1046 N1052 M1054 G1113 Q1117 H1118	N973-D1111 PolarHBondContact ND2-OD2 2.82Å; P977-D1111 HydrophobicContact CG-CB 3.84Å; D1046-D1111 WeakPolarHBondContact OD2-CB 3.11Å; N1052-D1111 WeakPolarHBondContact O-CB 3.35Å; M1054-D1111 CarbonylContact O-C 3.52Å; M1054-D1111 VanDerWaalsContact O-CA 3.3Å; M1054-D1111 WeakPolarHBondContact O-CA 3.31Å; D1111-G1113 PolarHBondContact OD1-N 2.82Å; D1111-Q1117 WeakPolarHBondContact OD1-CA 3.47Å; D1111-Q1117 VanDerWaalsContact OD1-CB 3.31Å; D1111-Q1117 WeakPolarHBondContact OD1-CB 3.35Å; D1111-H1118 PolarHBondContact N-O 2.84Å; D1111-H1118 PolarHBondContact OD1-N 3Å; D1111-H1118 WeakPolarHBondContact OD2-CA 3.48Å; D1111-H1118 WeakPolarHBondContact OD2-CB 3.36Å; D1111-H1118 IonicContact OD2-CG 2.84Å; D1111-H1118 PolarHBondContact OD2-N 3.06Å; D1111-H1118 IonicContact OD2-ND1 3.33Å; D1111-H1118 PolarHBondContact OD2-ND1 2.77Å
1112	H	77.8	Confident	75.3	Confident	55 Å²	55	42.8 Å²	42.8	26%	0.255	20%	0.2	S	C	.	.			trans	-114.5	24.4	178.1	-81.9	-75.2	0	0	0	113.5	I1051 M1054 T1056 Q1114	I1051-H1112 HydrophobicContact CG2-CB 4.17Å; I1051-H1112 VanDerWaalsContact CG2-O 3.25Å; I1051-H1112 WeakPolarHBondContact CG2-O 3.33Å; I1051-H1112 CarbonylContact O-C 3.59Å; I1051-H1112 WeakPolarHBondContact O-CB 3.25Å; M1054-H1112 HydrophobicContact CB-CB 4.21Å; M1054-H1112 PolarHBondContact O-CD2 3.13Å; M1054-H1112 VanDerWaalsContact O-CD2 3.23Å; M1054-H1112 PolarHBondContact O-N 3.4Å; T1056-H1112 WeakPolarHBondContact CG2-NE2 3.34Å; T1056-H1112 PolarHBondContact OG1-NE2 3.49Å; H1112-Q1114 PolarHBondContact O-N 3.11Å
1113	G	66.6	Low	75.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.188	C	C	.	.			trans	-47.1	137.3	178.7	0	0	0	0	0	114.3	N973 N1052 D1111 I1116 Q1117	N973-G1113 VanDerWaalsContact ND2-CA 3.32Å; N973-G1113 WeakPolarHBondContact ND2-CA 3.37Å; N1052-G1113 WeakPolarHBondContact OD1-CA 3.18Å; D1111-G1113 PolarHBondContact OD1-N 2.82Å; G1113-I1116 CarbonylContact C-O 3.57Å; G1113-I1116 WeakPolarHBondContact CA-O 3.34Å; G1113-Q1117 WeakPolarHBondContact O-CG 3.35Å; G1113-Q1117 PolarHBondContact O-NE2 2.96Å; G1113-Q1117 VanDerWaalsContact O-NE2 3.17Å
1114	Q	64.2	Low	75.7	Confident	150 Å²	150	39.1 Å²	39.1	70%	0.701	18%	0.178	S	C	*	.	S	Bend	trans	-75.2	-32.6	-172.1	-165.9	174.5	-3.4	0	0	112.9	H1112	H1112-Q1114 PolarHBondContact O-N 3.11Å
1115	F	60.8	Low	75.6	Confident	187 Å²	187	35.3 Å²	35.3	82%	0.82	16%	0.164	S	C	*	.	S	Bend	trans	-107.2	-46.6	-176.9	-68.1	-76.7	0	0	0	113.1
1116	I	66.2	Low	75.3	Confident	55 Å²	55	35.2 Å²	35.2	28%	0.282	16%	0.163	S	C	.	.			trans	-125.4	136.8	176.7	-60.5	172.3	0	0	0	105.7	N973 G1113 M1153	N973-I1116 PolarHBondContact ND2-O 3Å; G1113-I1116 CarbonylContact C-O 3.57Å; G1113-I1116 WeakPolarHBondContact CA-O 3.34Å; I1116-M1153 HydrophobicContact CG2-CE 4.48Å; I1116-M1153 HydrophobicContact CG2-CG 4Å; I1116-M1153 HydrophobicContact CG2-SD 4.15Å
1117	Q	71.6	Confident	74.7	Confident	39 Å²	39	38 Å²	38	18%	0.182	18%	0.176	C	C	.	.			trans	-114.9	125.8	174.5	-71.9	175.5	-11.3	0	0	109.7	D1111 G1113 K1154	D1111-Q1117 WeakPolarHBondContact OD1-CA 3.47Å; D1111-Q1117 VanDerWaalsContact OD1-CB 3.31Å; D1111-Q1117 WeakPolarHBondContact OD1-CB 3.35Å; G1113-Q1117 WeakPolarHBondContact O-CG 3.35Å; G1113-Q1117 PolarHBondContact O-NE2 2.96Å; G1113-Q1117 VanDerWaalsContact O-NE2 3.17Å; Q1117-K1154 PolarHBondContact O-N 2.87Å
1118	H	77.5	Confident	74	Confident	14 Å²	14	38 Å²	38	7%	0.065	18%	0.176	C	C	.	.			trans	-98.1	154.3	173.8	-57.9	108.6	0	0	0	111.7	N973 P976 D1111	N973-H1118 PolarHBondContact OD1-CE1 3.2Å; N973-H1118 PolarHBondContact OD1-ND1 2.58Å; P976-H1118 HydrophobicContact CB-CB 3.5Å; D1111-H1118 PolarHBondContact N-O 2.84Å; D1111-H1118 PolarHBondContact OD1-N 3Å; D1111-H1118 WeakPolarHBondContact OD2-CA 3.48Å; D1111-H1118 WeakPolarHBondContact OD2-CB 3.36Å; D1111-H1118 IonicContact OD2-CG 2.84Å; D1111-H1118 PolarHBondContact OD2-N 3.06Å; D1111-H1118 IonicContact OD2-ND1 3.33Å; D1111-H1118 PolarHBondContact OD2-ND1 2.77Å
1119	Y	76.1	Confident	73.1	Confident	25 Å²	25	39.9 Å²	39.9	10%	0.098	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156	172.8	62.8	-91.8	0	0	0	111.9	I1108 A1109 I1121 L1152	I1108-Y1119 HydrophobicContact CG2-CD2 4.04Å; I1108-Y1119 HydrophobicContact CG2-CG 4.34Å; A1109-Y1119 CarbonylContact O-C 3.49Å; A1109-Y1119 WeakPolarHBondContact O-CA 3.19Å; A1109-Y1119 VanDerWaalsContact O-CB 3.28Å; A1109-Y1119 WeakPolarHBondContact O-CB 3.34Å; Y1119-I1121 HydrophobicContact CD2-CD1 4.25Å; Y1119-I1121 HydrophobicContact CD2-CG1 3.92Å; Y1119-I1121 HydrophobicContact CE2-CD1 3.81Å; Y1119-I1121 HydrophobicContact CE2-CG1 4.01Å; Y1119-L1152 VanDerWaalsContact CD1-O 3.25Å; Y1119-L1152 WeakPolarHBondContact CD1-O 3.47Å; Y1119-L1152 HydrophobicContact CE1-CB 3.62Å; Y1119-L1152 WeakPolarHBondContact CE1-O 3.24Å; Y1119-L1152 HydrophobicContact CE2-CB 3.9Å; Y1119-L1152 HydrophobicContact CE2-CD1 4.23Å; Y1119-L1152 WeakPolarHBondContact OH-CB 3.09Å; Y1119-L1152 WeakPolarHBondContact OH-CD1 3.47Å
1120	S	79	Confident	72.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.3	169.3	54.3	0	0	0	0	111	P977 F979 I1108 A1109 I1149	P977-S1120 WeakPolarHBondContact O-CB 3.21Å; P977-S1120 PolarHBondContact O-OG 2.61Å; F979-S1120 WeakPolarHBondContact CD2-OG 2.68Å; F979-S1120 WeakPolarHBondContact CE2-OG 3.4Å; I1108-S1120 WeakPolarHBondContact CA-O 2.96Å; A1109-S1120 PolarHBondContact N-O 3.31Å; A1109-S1120 PolarHBondContact O-N 2.78Å; S1120-I1149 VanDerWaalsContact CB-CG2 3.49Å
1121	I	76	Confident	70.9	Confident	16 Å²	16	44 Å²	44	8%	0.082	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.4	-177.9	-55.4	-177.7	0	0	0	109.8	L1066 C1106 I1107 I1108 Y1119	L1066-I1121 HydrophobicContact CD1-CD1 3.88Å; C1106-I1121 HydrophobicContact CB-CG2 4.07Å; I1107-I1121 CarbonylContact O-C 3.58Å; I1107-I1121 WeakPolarHBondContact O-CA 3.16Å; I1108-I1121 HydrophobicContact CG1-CG1 4.2Å; I1108-I1121 HydrophobicContact CG2-CG1 4.42Å; Y1119-I1121 HydrophobicContact CD2-CD1 4.25Å; Y1119-I1121 HydrophobicContact CD2-CG1 3.92Å; Y1119-I1121 HydrophobicContact CE2-CD1 3.81Å; Y1119-I1121 HydrophobicContact CE2-CG1 4.01Å
1122	L	77.8	Confident	69.5	Low	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.8	173.3	-172.3	85.8	0	0	0	110.1	F979 F1042 C1106 I1107 L1124 I1146	F979-L1122 HydrophobicContact CB-CD1 4.42Å; F979-L1122 HydrophobicContact CD1-CB 4.26Å; F979-L1122 HydrophobicContact CD1-CD2 4.32Å; F979-L1122 HydrophobicContact CD2-CB 4.05Å; F979-L1122 HydrophobicContact CE1-CB 4.07Å; F979-L1122 HydrophobicContact CE1-CD2 4.45Å; F979-L1122 HydrophobicContact CE2-CB 3.84Å; F979-L1122 HydrophobicContact CG-CB 4.26Å; F979-L1122 HydrophobicContact CG-CD1 4.29Å; F979-L1122 HydrophobicContact CZ-CB 3.85Å; F1042-L1122 HydrophobicContact CD1-CD2 3.34Å; F1042-L1122 HydrophobicContact CE1-CD2 3.3Å; F1042-L1122 HydrophobicContact CZ-CD2 4.49Å; C1106-L1122 CarbonylContact C-O 3.53Å; C1106-L1122 WeakPolarHBondContact CA-O 3.44Å; I1107-L1122 HydrophobicContact CB-CB 4.3Å; I1107-L1122 PolarHBondContact N-O 2.74Å; I1107-L1122 PolarHBondContact O-N 2.77Å; L1122-L1124 HydrophobicContact CD2-CD1 4.01Å; L1122-I1146 HydrophobicContact CD1-CB 4.41Å; L1122-I1146 HydrophobicContact CD1-CD1 3.23Å; L1122-I1146 HydrophobicContact CD1-CG1 3.4Å; L1122-I1146 HydrophobicContact CD1-CG2 4.46Å
1123	K	74.9	Confident	68.3	Low	63 Å²	63	55.2 Å²	55.2	27%	0.274	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.8	177.5	-51.3	-167.2	-166.6	170.2	0	111.5	S1145 Q1147	K1123-S1145 CarbonylContact O-C 3.6Å; K1123-S1145 PolarHBondContact O-N 2.94Å; K1123-Q1147 HydrophobicContact CD-CB 3.97Å
1124	L	74.4	Confident	67.2	Low	4 Å²	4	62.2 Å²	62.2	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.6	-177.5	-133.6	91.7	0	0	0	111	F1042 L1088 K1104 L1105 I1107 L1122 I1126 I1142 Y1144	F1042-L1124 HydrophobicContact CE1-CD1 3.44Å; F1042-L1124 VanDerWaalsContact CE1-CD1 3.44Å; F1042-L1124 HydrophobicContact CZ-CD1 3.43Å; F1042-L1124 VanDerWaalsContact CZ-CD1 3.43Å; F1042-L1124 HydrophobicContact CZ-CD2 4.04Å; F1042-L1124 HydrophobicContact CZ-CG 4.4Å; L1088-L1124 HydrophobicContact CD2-CD2 4.06Å; K1104-L1124 CarbonylContact C-O 3.47Å; K1104-L1124 WeakPolarHBondContact CA-O 3.29Å; L1105-L1124 HydrophobicContact CB-CB 4.18Å; L1105-L1124 PolarHBondContact N-O 3.32Å; L1105-L1124 PolarHBondContact O-N 2.93Å; I1107-L1124 HydrophobicContact CD1-CD1 4.27Å; L1122-L1124 HydrophobicContact CD2-CD1 4.01Å; L1124-I1126 HydrophobicContact CD2-CD1 3.79Å; L1124-I1126 HydrophobicContact CD2-CG1 3.74Å; L1124-I1142 HydrophobicContact CD2-CG2 3.88Å; L1124-I1142 HydrophobicContact CG-CG2 4.35Å; L1124-Y1144 VanDerWaalsContact CD1-CB 3.46Å; L1124-Y1144 HydrophobicContact CD1-CG 4.08Å
1125	L	73.1	Confident	66.4	Low	56 Å²	56	62.2 Å²	62.2	29%	0.293	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.9	171.6	-111.9	162.9	0	0	0	108.2	T1102 Y1103 K1104 N1143	T1102-L1125 HydrophobicContact CG2-CD2 3.42Å; T1102-L1125 VanDerWaalsContact CG2-CD2 3.42Å; Y1103-L1125 CarbonylContact O-C 3.41Å; Y1103-L1125 WeakPolarHBondContact O-CA 3.34Å; K1104-L1125 HydrophobicContact CG-CD2 3.71Å; K1104-L1125 HydrophobicContact CG-CG 3.93Å; L1125-N1143 CarbonylContact C-O 3.56Å; L1125-N1143 WeakPolarHBondContact CA-O 3.34Å; L1125-N1143 WeakPolarHBondContact CB-O 3.05Å; L1125-N1143 PolarHBondContact N-O 2.89Å; L1125-N1143 CarbonylContact O-C 3.51Å; L1125-N1143 VanDerWaalsContact O-C 3.27Å; L1125-N1143 PolarHBondContact O-N 3.02Å
1126	I	71.6	Confident	65.8	Low	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.1	180	-57.8	-178.1	0	0	0	108.9	F1039 F1079 L1088 T1102 Y1103 L1105 L1124 I1128 I1140 I1142	F1039-I1126 HydrophobicContact CZ-CD1 4.36Å; F1079-I1126 HydrophobicContact CD1-CD1 4.01Å; F1079-I1126 HydrophobicContact CD2-CD1 4.5Å; F1079-I1126 HydrophobicContact CE1-CD1 3.49Å; F1079-I1126 VanDerWaalsContact CE1-CD1 3.49Å; F1079-I1126 HydrophobicContact CE1-CG2 4.35Å; F1079-I1126 HydrophobicContact CE2-CD1 4.05Å; F1079-I1126 HydrophobicContact CG-CD1 4.48Å; F1079-I1126 HydrophobicContact CZ-CB 4.21Å; F1079-I1126 HydrophobicContact CZ-CD1 3.52Å; F1079-I1126 HydrophobicContact CZ-CG1 4.46Å; F1079-I1126 HydrophobicContact CZ-CG2 3.77Å; L1088-I1126 HydrophobicContact CD2-CD1 4.22Å; T1102-I1126 CarbonylContact C-O 3.35Å; T1102-I1126 VanDerWaalsContact CA-O 3.28Å; T1102-I1126 WeakPolarHBondContact CA-O 3.45Å; Y1103-I1126 PolarHBondContact N-O 3.01Å; Y1103-I1126 PolarHBondContact O-N 3.01Å; L1105-I1126 HydrophobicContact CD1-CD1 3.51Å; L1105-I1126 HydrophobicContact CD1-CG1 4.27Å; L1124-I1126 HydrophobicContact CD2-CD1 3.79Å; L1124-I1126 HydrophobicContact CD2-CG1 3.74Å; I1126-I1128 HydrophobicContact CG2-CD1 4.48Å; I1126-I1128 HydrophobicContact CG2-CG1 4.07Å; I1126-I1140 HydrophobicContact CG2-CG2 3.52Å; I1126-I1142 HydrophobicContact CG1-CG1 4.3Å; I1126-I1142 HydrophobicContact CG1-CG2 4.12Å; I1126-I1142 HydrophobicContact CG2-CG1 4.12Å
1127	E	69	Low	64.9	Low	61 Å²	61	59.5 Å²	59.5	29%	0.285	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.5	174.9	-165.9	-179.4	170.4	0	0	110.4	T1102 Q1129 F1141	T1102-E1127 HydrophobicContact CG2-CB 4.01Å; T1102-E1127 HydrophobicContact CG2-CG 4.22Å; E1127-Q1129 HydrophobicContact CG-CG 4.3Å; E1127-Q1129 PolarHBondContact OE1-NE2 2.86Å; E1127-F1141 CarbonylContact C-O 3.55Å; E1127-F1141 WeakPolarHBondContact CA-O 3.32Å; E1127-F1141 HydrophobicContact CB-CB 4.29Å; E1127-F1141 PolarHBondContact N-O 3.49Å; E1127-F1141 CarbonylContact O-C 3.53Å; E1127-F1141 WeakPolarHBondContact O-CA 3.49Å; E1127-F1141 PolarHBondContact O-N 3.1Å
1128	I	66.1	Low	64	Low	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.5	-174.6	-53.5	-171.7	0	0	0	108.9	L1078 F1079 F1094 L1099 Y1100 T1101 Y1103 I1126 I1140	L1078-I1128 HydrophobicContact CD2-CD1 3.99Å; F1079-I1128 HydrophobicContact CZ-CD1 4.27Å; F1094-I1128 HydrophobicContact CD1-CD1 4.22Å; F1094-I1128 HydrophobicContact CD1-CG2 4.12Å; F1094-I1128 HydrophobicContact CE1-CD1 3.3Å; F1094-I1128 HydrophobicContact CE1-CG1 4.49Å; F1094-I1128 HydrophobicContact CE1-CG2 3.99Å; F1094-I1128 HydrophobicContact CZ-CD1 3.86Å; F1094-I1128 HydrophobicContact CZ-CG2 4.48Å; L1099-I1128 HydrophobicContact CD2-CG2 4.27Å; Y1100-I1128 WeakPolarHBondContact CA-O 3.33Å; Y1100-I1128 PolarHBondContact N-O 2.88Å; T1101-I1128 PolarHBondContact O-N 2.7Å; T1101-I1128 VanDerWaalsContact O-N 3.13Å; Y1103-I1128 HydrophobicContact CD2-CD1 4.01Å; Y1103-I1128 HydrophobicContact CD2-CG1 4.45Å; Y1103-I1128 HydrophobicContact CE2-CD1 3.68Å; Y1103-I1128 HydrophobicContact CE2-CG1 4.38Å; I1126-I1128 HydrophobicContact CG2-CD1 4.48Å; I1126-I1128 HydrophobicContact CG2-CG1 4.07Å; I1128-I1140 HydrophobicContact CD1-CD1 4.29Å; I1128-I1140 HydrophobicContact CG1-CD1 4.4Å; I1128-I1140 HydrophobicContact CG1-CG1 4.4Å; I1128-I1140 HydrophobicContact CG1-CG2 4.27Å; I1128-I1140 HydrophobicContact CG2-CG1 4.24Å
1129	Q	64.2	Low	62.8	Low	64 Å²	64	57.8 Å²	57.8	30%	0.299	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.1	-177.4	-63.6	-174.5	-7.2	0	0	111.8	E1127 I1139 F1141	E1127-Q1129 HydrophobicContact CG-CG 4.3Å; E1127-Q1129 PolarHBondContact OE1-NE2 2.86Å; Q1129-I1139 CarbonylContact C-O 3.59Å; Q1129-I1139 PolarHBondContact N-O 3.29Å; Q1129-I1139 CarbonylContact O-C 3.58Å; Q1129-I1139 PolarHBondContact O-N 3.07Å; Q1129-F1141 HydrophobicContact CB-CD2 3.97Å; Q1129-F1141 HydrophobicContact CB-CE2 3.93Å; Q1129-F1141 HydrophobicContact CG-CD2 4.01Å; Q1129-F1141 HydrophobicContact CG-CE2 4.29Å; Q1129-F1141 VanDerWaalsContact OE1-CE2 3.27Å
1130	L	61.7	Low	61.8	Low	48 Å²	48	56.7 Å²	56.7	25%	0.251	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.8	172.4	-159.3	96.1	0	0	0	109.5	L1099 Y1100	L1099-L1130 HydrophobicContact CD1-CD1 3.58Å; L1099-L1130 HydrophobicContact CD2-CD1 4.13Å; Y1100-L1130 HydrophobicContact CE1-CB 4.49Å; Y1100-L1130 WeakPolarHBondContact OH-CB 3.18Å
1131	H	59	Low	60.6	Low	85 Å²	85	59.8 Å²	59.8	39%	0.394	29%	0.292	S	S	.	.			trans	-82.6	141.5	168.7	-164.2	43.9	0	0	0	109.8	I1139	H1131-I1139 HydrophobicContact CB-CB 4.42Å; H1131-I1139 HydrophobicContact CB-CD1 3.43Å; H1131-I1139 VanDerWaalsContact CB-CD1 3.43Å; H1131-I1139 HydrophobicContact CB-CG1 3.65Å; H1131-I1139 VanDerWaalsContact ND1-CD1 3.27Å; H1131-I1139 WeakPolarHBondContact ND1-CD1 3.4Å
1132	N	52.9	Low	59.7	Low	120 Å²	120	59 Å²	59	64%	0.642	29%	0.288	S	S	*	.			trans	6.3	139.5	170.4	-85.9	-16.4	0	0	0	118.4	N1134	N1132-N1134 PolarHBondContact O-N 3.29Å
1133	H	51.1	Low	58.6	Low	171 Å²	171	61 Å²	61	79%	0.792	30%	0.299	S	S	*	.	S	Bend	trans	-49.6	5.9	-178.6	-76.8	-70.3	0	0	0	118.8	H1135	H1133-H1135 PolarHBondContact O-N 3.36Å
1134	N	45	Very low	57.8	Low	148 Å²	148	58.2 Å²	58.2	79%	0.791	29%	0.286	S	S	*	.	S	Bend	trans	-81.9	110.1	165.2	-70.7	-13.7	0	0	0	110.1	N1132 N1136	N1132-N1134 PolarHBondContact O-N 3.29Å; N1134-N1136 PolarHBondContact O-N 2.75Å
1135	H	47.1	Very low	56.6	Low	150 Å²	150	59 Å²	59	69%	0.694	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	6	-146.8	-91.6	-76.1	0	0	0	122.5	H1133	H1133-H1135 PolarHBondContact O-N 3.36Å
1136	N	47.4	Very low	55.4	Low	81 Å²	81	57.4 Å²	57.4	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	9.7	-164.1	-86.1	-1.2	0	0	0	120	K1029 Q1030 N1134	K1029-N1136 WeakPolarHBondContact CB-O 3.31Å; K1029-N1136 PolarHBondContact N-O 3.41Å; Q1030-N1136 PolarHBondContact OE1-ND2 2.95Å; Q1030-N1136 PolarHBondContact OE1-OD1 2.77Å; N1134-N1136 PolarHBondContact O-N 2.75Å
1137	Q	48.3	Very low	54.2	Low	104 Å²	104	62.3 Å²	62.3	49%	0.486	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.6	178.5	-65.6	178.2	-10.9	0	0	113.5
1138	S	52.2	Low	53.1	Low	1 Å²	1	61.7 Å²	61.7	1%	0.007	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.6	172.5	29.6	0	0	0	0	109.2	L1027	L1027-S1138 CarbonylContact C-O 3.53Å; L1027-S1138 PolarHBondContact N-O 2.81Å; L1027-S1138 CarbonylContact O-C 3.59Å; L1027-S1138 PolarHBondContact O-N 3.34Å; L1027-S1138 PolarHBondContact O-OG 2.81Å
1139	I	51.9	Low	52	Low	16 Å²	16	64.4 Å²	64.4	8%	0.082	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.1	177.6	-68.9	174.3	0	0	0	109.2	V1026 Q1129 H1131 F1141	V1026-I1139 HydrophobicContact CB-CG1 4.21Å; V1026-I1139 HydrophobicContact CG1-CG1 3.87Å; V1026-I1139 HydrophobicContact CG2-CD1 4.21Å; V1026-I1139 HydrophobicContact CG2-CG1 3.88Å; Q1129-I1139 CarbonylContact C-O 3.59Å; Q1129-I1139 PolarHBondContact N-O 3.29Å; Q1129-I1139 CarbonylContact O-C 3.58Å; Q1129-I1139 PolarHBondContact O-N 3.07Å; H1131-I1139 HydrophobicContact CB-CB 4.42Å; H1131-I1139 HydrophobicContact CB-CD1 3.43Å; H1131-I1139 VanDerWaalsContact CB-CD1 3.43Å; H1131-I1139 HydrophobicContact CB-CG1 3.65Å; H1131-I1139 VanDerWaalsContact ND1-CD1 3.27Å; H1131-I1139 WeakPolarHBondContact ND1-CD1 3.4Å; I1139-F1141 HydrophobicContact CB-CE2 4.1Å; I1139-F1141 HydrophobicContact CG2-CD2 3.85Å; I1139-F1141 HydrophobicContact CG2-CE2 3.45Å; I1139-F1141 VanDerWaalsContact CG2-CE2 3.45Å; I1139-F1141 HydrophobicContact CG2-CZ 3.81Å
1140	I	55.5	Low	51.2	Low	2 Å²	2	65.7 Å²	65.7	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.1	169.8	-56.7	-165.7	0	0	0	108.5	I1025 L1027 I1090 F1094 I1126 I1128 I1142	I1025-I1140 PolarHBondContact N-O 2.92Å; I1025-I1140 PolarHBondContact O-N 2.8Å; L1027-I1140 HydrophobicContact CD1-CD1 3.32Å; L1027-I1140 HydrophobicContact CD1-CG1 3.95Å; L1027-I1140 HydrophobicContact CG-CD1 4.27Å; L1027-I1140 HydrophobicContact CG-CG1 4.41Å; I1090-I1140 HydrophobicContact CD1-CD1 3.5Å; I1090-I1140 VanDerWaalsContact CD1-CD1 3.5Å; F1094-I1140 HydrophobicContact CE2-CD1 3.94Å; F1094-I1140 HydrophobicContact CZ-CD1 3.57Å; I1126-I1140 HydrophobicContact CG2-CG2 3.52Å; I1128-I1140 HydrophobicContact CD1-CD1 4.29Å; I1128-I1140 HydrophobicContact CG1-CD1 4.4Å; I1128-I1140 HydrophobicContact CG1-CG1 4.4Å; I1128-I1140 HydrophobicContact CG1-CG2 4.27Å; I1128-I1140 HydrophobicContact CG2-CG1 4.24Å; I1140-I1142 HydrophobicContact CG2-CD1 4.12Å; I1140-I1142 HydrophobicContact CG2-CG1 3.65Å
1141	F	53.5	Low	50.4	Low	65 Å²	65	68.4 Å²	68.4	29%	0.285	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.4	169	-67.5	-96.5	0	0	0	108.2	T1024 E1127 Q1129 I1139	T1024-F1141 HydrophobicContact CG2-CB 4.4Å; T1024-F1141 HydrophobicContact CG2-CD1 3.01Å; T1024-F1141 HydrophobicContact CG2-CE1 3.19Å; T1024-F1141 HydrophobicContact CG2-CG 3.79Å; T1024-F1141 HydrophobicContact CG2-CZ 4.11Å; E1127-F1141 CarbonylContact C-O 3.55Å; E1127-F1141 WeakPolarHBondContact CA-O 3.32Å; E1127-F1141 HydrophobicContact CB-CB 4.29Å; E1127-F1141 PolarHBondContact N-O 3.49Å; E1127-F1141 CarbonylContact O-C 3.53Å; E1127-F1141 WeakPolarHBondContact O-CA 3.49Å; E1127-F1141 PolarHBondContact O-N 3.1Å; Q1129-F1141 HydrophobicContact CB-CD2 3.97Å; Q1129-F1141 HydrophobicContact CB-CE2 3.93Å; Q1129-F1141 HydrophobicContact CG-CD2 4.01Å; Q1129-F1141 HydrophobicContact CG-CE2 4.29Å; Q1129-F1141 VanDerWaalsContact OE1-CE2 3.27Å; I1139-F1141 HydrophobicContact CB-CE2 4.1Å; I1139-F1141 HydrophobicContact CG2-CD2 3.85Å; I1139-F1141 HydrophobicContact CG2-CE2 3.45Å; I1139-F1141 VanDerWaalsContact CG2-CE2 3.45Å; I1139-F1141 HydrophobicContact CG2-CZ 3.81Å
1142	I	57.2	Low	49.8	Very low	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	104.3	179.6	-57.1	175.7	0	0	0	107.8	M1023 I1025 F1039 I1040 L1124 I1126 I1140 Y1144	M1023-I1142 PolarHBondContact N-O 2.86Å; M1023-I1142 WeakPolarHBondContact O-CA 3.4Å; M1023-I1142 WeakPolarHBondContact O-CB 3.16Å; M1023-I1142 PolarHBondContact O-N 3.09Å; I1025-I1142 HydrophobicContact CD1-CD1 3.88Å; I1025-I1142 HydrophobicContact CG1-CD1 4.45Å; F1039-I1142 HydrophobicContact CD2-CD1 3.54Å; F1039-I1142 HydrophobicContact CE2-CD1 3.36Å; F1039-I1142 HydrophobicContact CZ-CD1 4.45Å; I1040-I1142 HydrophobicContact CD1-CB 4.37Å; I1040-I1142 HydrophobicContact CD1-CD1 3.41Å; I1040-I1142 VanDerWaalsContact CD1-CD1 3.41Å; I1040-I1142 HydrophobicContact CD1-CG1 4.46Å; I1040-I1142 HydrophobicContact CD1-CG2 4.06Å; I1040-I1142 HydrophobicContact CG1-CD1 4.48Å; L1124-I1142 HydrophobicContact CD2-CG2 3.88Å; L1124-I1142 HydrophobicContact CG-CG2 4.35Å; I1126-I1142 HydrophobicContact CG1-CG1 4.3Å; I1126-I1142 HydrophobicContact CG1-CG2 4.12Å; I1126-I1142 HydrophobicContact CG2-CG1 4.12Å; I1140-I1142 HydrophobicContact CG2-CD1 4.12Å; I1140-I1142 HydrophobicContact CG2-CG1 3.65Å; I1142-Y1144 HydrophobicContact CG2-CD1 4.33Å
1143	N	53.9	Low	49.3	Very low	43 Å²	43	67.9 Å²	67.9	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	104.9	175.2	-66	-12.4	0	0	0	107.7	L1020 N1022 L1125	L1020-N1143 HydrophobicContact CD2-CB 4.2Å; N1022-N1143 VanDerWaalsContact CB-OD1 3.24Å; N1022-N1143 WeakPolarHBondContact CB-OD1 3.1Å; N1022-N1143 VanDerWaalsContact CG-CG 3.45Å; N1022-N1143 WeakPolarHBondContact OD1-CB 3.45Å; N1022-N1143 PolarHBondContact OD1-OD1 2.92Å; N1022-N1143 VanDerWaalsContact OD1-OD1 3.06Å; L1125-N1143 CarbonylContact C-O 3.56Å; L1125-N1143 WeakPolarHBondContact CA-O 3.34Å; L1125-N1143 WeakPolarHBondContact CB-O 3.05Å; L1125-N1143 PolarHBondContact N-O 2.89Å; L1125-N1143 CarbonylContact O-C 3.51Å; L1125-N1143 VanDerWaalsContact O-C 3.27Å; L1125-N1143 PolarHBondContact O-N 3.02Å
1144	Y	58.3	Low	48.7	Very low	4 Å²	4	64.1 Å²	64.1	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.7	176.6	61	-84.7	0	0	0	111.1	L981 L983 L1020 Y1021 M1023 L1124 I1142	L981-Y1144 HydrophobicContact CD2-CE2 3.59Å; L983-Y1144 HydrophobicContact CD1-CD1 3.96Å; L983-Y1144 HydrophobicContact CD1-CD2 4.23Å; L983-Y1144 HydrophobicContact CD1-CE1 3.54Å; L983-Y1144 HydrophobicContact CD1-CE2 3.81Å; L983-Y1144 HydrophobicContact CD1-CG 4.29Å; L983-Y1144 VanDerWaalsContact CD1-CZ 3.44Å; L983-Y1144 HydrophobicContact CG-CE1 4.35Å; L983-Y1144 HydrophobicContact CG-CE2 4.22Å; L1020-Y1144 WeakPolarHBondContact CA-O 3.22Å; Y1021-Y1144 VanDerWaalsContact CB-OH 3.3Å; Y1021-Y1144 WeakPolarHBondContact CB-OH 3.24Å; Y1021-Y1144 HydrophobicContact CD2-CD2 4.37Å; Y1021-Y1144 AromaticContact CD2-CE2 3.74Å; Y1021-Y1144 HydrophobicContact CD2-CE2 3.74Å; Y1021-Y1144 AromaticContact CG-CE2 3.76Å; Y1021-Y1144 HydrophobicContact CG-CE2 3.76Å; Y1021-Y1144 AromaticContact CG-CZ 3.82Å; Y1021-Y1144 PolarHBondContact N-O 3.42Å; Y1021-Y1144 WeakPolarHBondContact O-CD1 3.15Å; Y1021-Y1144 WeakPolarHBondContact O-CE1 3.5Å; Y1021-Y1144 PolarHBondContact O-N 2.89Å; M1023-Y1144 HydrophobicContact CB-CE1 4.47Å; L1124-Y1144 VanDerWaalsContact CD1-CB 3.46Å; L1124-Y1144 HydrophobicContact CD1-CG 4.08Å; I1142-Y1144 HydrophobicContact CG2-CD1 4.33Å
1145	S	48.8	Very low	48.3	Very low	19 Å²	19	62.7 Å²	62.7	13%	0.133	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	118.9	-178.7	67.8	0	0	0	0	108.7	K1123 Q1147	K1123-S1145 CarbonylContact O-C 3.6Å; K1123-S1145 PolarHBondContact O-N 2.94Å; S1145-Q1147 PolarHBondContact O-N 2.96Å; S1145-Q1147 VanDerWaalsContact O-N 3.15Å
1146	I	48.9	Very low	47.8	Very low	23 Å²	23	62.6 Å²	62.6	12%	0.118	31%	0.31	C	S	.	.			trans	-79.2	102.5	172.2	-49.6	-160	0	0	0	107.8	L981 N1018 L1122	L981-I1146 HydrophobicContact CD1-CD1 3.21Å; L981-I1146 HydrophobicContact CD1-CG1 4.12Å; L981-I1146 HydrophobicContact CD2-CD1 4.35Å; L981-I1146 HydrophobicContact CG-CD1 3.98Å; N1018-I1146 PolarHBondContact N-O 3.38Å; L1122-I1146 HydrophobicContact CD1-CB 4.41Å; L1122-I1146 HydrophobicContact CD1-CD1 3.23Å; L1122-I1146 HydrophobicContact CD1-CG1 3.4Å; L1122-I1146 HydrophobicContact CD1-CG2 4.46Å
1147	Q	46.3	Very low	46.8	Very low	103 Å²	103	66.3 Å²	66.3	48%	0.481	33%	0.329	S	S	.	.			trans	-87.3	-35.1	-176.3	-106.6	-174.4	-9.1	0	0	113.4	K1123 S1145	K1123-Q1147 HydrophobicContact CD-CB 3.97Å; S1145-Q1147 PolarHBondContact O-N 2.96Å; S1145-Q1147 VanDerWaalsContact O-N 3.15Å
1148	S	45	Very low	46	Very low	48 Å²	48	67.7 Å²	67.7	34%	0.336	34%	0.339	S	S	.	.			trans	-173.8	145.5	168	63.5	0	0	0	0	110.2	N1150	S1148-N1150 PolarHBondContact OG-OD1 2.88Å
1149	I	44.6	Very low	44.9	Very low	58 Å²	58	74.2 Å²	74.2	30%	0.297	37%	0.373	S	S	.	.			trans	-88.6	99.4	161.8	-61	169.1	0	0	0	106	S1120 Y1151	S1120-I1149 VanDerWaalsContact CB-CG2 3.49Å; I1149-Y1151 HydrophobicContact CG2-CD1 3.71Å; I1149-Y1151 HydrophobicContact CG2-CD2 4.17Å; I1149-Y1151 HydrophobicContact CG2-CE1 3.26Å; I1149-Y1151 HydrophobicContact CG2-CE2 3.8Å; I1149-Y1151 HydrophobicContact CG2-CG 4.15Å; I1149-Y1151 PolarHBondContact O-N 3.07Å
1150	N	45.6	Very low	43.7	Very low	90 Å²	90	81 Å²	81	48%	0.481	41%	0.409	S	S	.	.			trans	-82.4	104.4	167.4	-81.5	-1.7	0	0	0	107.7	S1148 L1152	S1148-N1150 PolarHBondContact OG-OD1 2.88Å; N1150-L1152 HydrophobicContact CB-CD1 4.22Å; N1150-L1152 HydrophobicContact CB-CG 4.46Å; N1150-L1152 PolarHBondContact O-N 2.88Å; N1150-L1152 VanDerWaalsContact O-N 3.14Å
1151	Y	46.8	Very low	42.4	Very low	106 Å²	106	89.1 Å²	89.1	42%	0.416	45%	0.452	S	S	.	.			trans	-73.3	100.4	164.8	-60.5	-60.8	0	0	0	108	P976 I1149	P976-Y1151 HydrophobicContact CB-CD1 3.19Å; P976-Y1151 HydrophobicContact CB-CE1 3.2Å; P976-Y1151 HydrophobicContact CB-CG 4.1Å; P976-Y1151 HydrophobicContact CG-CD1 3.3Å; P976-Y1151 HydrophobicContact CG-CD2 4.23Å; P976-Y1151 HydrophobicContact CG-CE1 3.03Å; P976-Y1151 HydrophobicContact CG-CE2 3.99Å; P976-Y1151 HydrophobicContact CG-CG 3.89Å; I1149-Y1151 HydrophobicContact CG2-CD1 3.71Å; I1149-Y1151 HydrophobicContact CG2-CD2 4.17Å; I1149-Y1151 HydrophobicContact CG2-CE1 3.26Å; I1149-Y1151 HydrophobicContact CG2-CE2 3.8Å; I1149-Y1151 HydrophobicContact CG2-CG 4.15Å; I1149-Y1151 PolarHBondContact O-N 3.07Å
1152	L	45	Very low	41.2	Very low	79 Å²	79	89.6 Å²	89.6	41%	0.414	46%	0.464	S	S	.	.			trans	-106.7	115.2	176.7	-89.1	158.1	0	0	0	106.9	Y1119 N1150 K1154	Y1119-L1152 VanDerWaalsContact CD1-O 3.25Å; Y1119-L1152 WeakPolarHBondContact CD1-O 3.47Å; Y1119-L1152 HydrophobicContact CE1-CB 3.62Å; Y1119-L1152 WeakPolarHBondContact CE1-O 3.24Å; Y1119-L1152 HydrophobicContact CE2-CB 3.9Å; Y1119-L1152 HydrophobicContact CE2-CD1 4.23Å; Y1119-L1152 WeakPolarHBondContact OH-CB 3.09Å; Y1119-L1152 WeakPolarHBondContact OH-CD1 3.47Å; N1150-L1152 HydrophobicContact CB-CD1 4.22Å; N1150-L1152 HydrophobicContact CB-CG 4.46Å; N1150-L1152 PolarHBondContact O-N 2.88Å; N1150-L1152 VanDerWaalsContact O-N 3.14Å; L1152-K1154 PolarHBondContact O-N 2.89Å
1153	M	43.3	Very low	39.7	Very low	115 Å²	115	97.8 Å²	97.8	57%	0.567	51%	0.506	S	S	*	.			trans	-65	116.6	168.3	-78.1	-171.4	-174.1	0	0	108.5	I1116 N1155	I1116-M1153 HydrophobicContact CG2-CE 4.48Å; I1116-M1153 HydrophobicContact CG2-CG 4Å; I1116-M1153 HydrophobicContact CG2-SD 4.15Å; M1153-N1155 PolarHBondContact O-N 3.16Å
1154	K	38.6	Very low	38.5	Very low	91 Å²	91	103 Å²	103	40%	0.396	53%	0.532	S	S	.	.			trans	-81.4	78.1	165.3	-146.8	177	-170.6	178.7	0	107.1	Q1117 L1152 Q1156	Q1117-K1154 PolarHBondContact O-N 2.87Å; L1152-K1154 PolarHBondContact O-N 2.89Å; K1154-Q1156 PolarHBondContact O-N 3.27Å
1155	N	36.2	Very low	36.9	Very low	118 Å²	118	109 Å²	109	63%	0.631	56%	0.564	S	S	*	*			trans	-57	108.9	166.3	-111	-7.7	0	0	0	106.5	M1153 L1157	M1153-N1155 PolarHBondContact O-N 3.16Å; N1155-L1157 VanDerWaalsContact C-N 3.27Å; N1155-L1157 PolarHBondContact O-N 2.95Å
1156	Q	35.6	Very low	35.7	Very low	149 Å²	149	114.1 Å²	114.1	70%	0.696	59%	0.59	S	S	*	*			trans	-58.7	101.5	164.1	-78.1	-169.7	-5.7	0	0	106.7	K1154 I1158	K1154-Q1156 PolarHBondContact O-N 3.27Å; Q1156-I1158 PolarHBondContact O-N 3.03Å
1157	L	28	Very low	34.6	Very low	158 Å²	158	121.5 Å²	121.5	83%	0.827	62%	0.624	S	S	*	*	S	Bend	trans	35	64.6	147.3	-76.1	158.2	0	0	0	115.6	N1155	N1155-L1157 VanDerWaalsContact C-N 3.27Å; N1155-L1157 PolarHBondContact O-N 2.95Å
1158	I	30.7	Very low	33.7	Very low	134 Å²	134	125 Å²	125	69%	0.687	64%	0.64	S	S	*	*			trans	-130.6	84.9	154	-55.3	174.7	0	0	0	105.9	Q1156	Q1156-I1158 PolarHBondContact O-N 3.03Å
1159	N	29.8	Very low	32.8	Very low	138 Å²	138	129.4 Å²	129.4	74%	0.738	66%	0.659	S	S	*	*	S	Bend	trans	173	11.8	148.1	-86.9	-13.8	0	0	0	115.6
1160	N	26.9	Very low	31.8	Very low	157 Å²	157	134 Å²	134	84%	0.84	68%	0.684	S	S	*	*	S	Bend	trans	-109.7	7.6	163.5	-88.1	-7.2	0	0	0	115.1
1161	L	27	Very low	31	Very low	174 Å²	174	138.6 Å²	138.6	91%	0.911	70%	0.699	S	S	*	*	S	Bend	trans	-137.9	54.4	172.4	-80.2	164.9	0	0	0	111.8
1162	S	28.2	Very low	30	Very low	75 Å²	75	138.7 Å²	138.7	52%	0.524	72%	0.716	S	S	.	*			trans	-161.9	60	152	59.8	0	0	0	0	111.9	I1164	S1162-I1164 PolarHBondContact O-N 3.3Å
1163	I	26.8	Very low	29.1	Very low	172 Å²	172	143 Å²	143	88%	0.882	74%	0.737	S	S	*	*				-73.5	81.1	121.2	-60.9	170.8	0	0	0	104.4
1164	I	28.8	Very low	28.4	Very low	151 Å²	151	144.7 Å²	144.7	77%	0.774	75%	0.748	S	S	*	*	S	Bend	trans	-163.7	82.4	149.9	-82.9	137.7	0	0	0	102.9	S1162	S1162-I1164 PolarHBondContact O-N 3.3Å
1165	N	24.4	Very low	28.1	Very low	131 Å²	131	146 Å²	146	70%	0.701	77%	0.765	S	S	*	*			trans	5.9	134.3	143.2	-78.7	-17.6	0	0	0	118.3
1166	N	24.4	Very low	27.6	Very low	127 Å²	127	148 Å²	148	68%	0.679	78%	0.776	S	S	*	*			trans	81	105.7	132.7	-65.7	-16.6	0	0	0	117.5
1167	H	25.5	Very low	27.2	Very low	177 Å²	177	148.3 Å²	148.3	82%	0.819	78%	0.782	S	S	*	*				37.9	93.4	117.8	-71.7	-67	0	0	0	115.2
1168	Q	25.7	Very low	27.1	Very low	178 Å²	178	151 Å²	151	83%	0.832	78%	0.782	S	S	*	*			trans	171.3	153.8	137.5	-100.3	172.5	2.5	0	0	111.1
1169	I	27.5	Very low	27	Very low	140 Å²	140	151.5 Å²	151.5	72%	0.718	79%	0.785	S	S	*	*			trans	89.3	91.3	159.2	-57.5	137	0	0	0	114
1170	N	23.7	Very low	27	Very low	155 Å²	155	152.2 Å²	152.2	83%	0.829	79%	0.789	S	S	*	*				38.4	103.5	80.9	-83.3	-13.7	0	0	0	114.3
1171	K	28.1	Very low	27.1	Very low	186 Å²	186	152.9 Å²	152.9	81%	0.809	79%	0.787	S	S	*	*			trans	-177	109.5	134.9	-101.5	158.3	-174.6	-174.8	0	112.8
1172	S	25.3	Very low	27.1	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	79%	0.785	S	S	*	*			trans	0.7	120.3	134.5	55.4	0	0	0	0	117.4
1173	I	27.3	Very low	27.2	Very low	169 Å²	169	158.4 Å²	158.4	87%	0.867	80%	0.8	S	S	*	*			trans	-128.2	125.3	153.3	-64.1	177.5	0	0	0	107.6
1174	L	27.9	Very low	27.4	Very low	150 Å²	150	157.1 Å²	157.1	79%	0.785	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.7	153.7	-179.1	-84	122.3	0	0	0	112.4
1175	P	32.6	Very low	27.8	Very low	118 Å²	118	157.8 Å²	157.8	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-77	138.1	177.1	4.3	11.8	0	0	0	112.1
1176	L	25.1	Very low	28.1	Very low	162 Å²	162	158.8 Å²	158.8	85%	0.848	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.6	124.8	172.2	-87.3	90.6	0	0	0	111
1177	N	26.9	Very low	28.3	Very low	155 Å²	155	159.9 Å²	159.9	83%	0.829	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.1	125.5	162.5	-85.5	-24.9	0	0	0	109.7
1178	Y	25.8	Very low	28.6	Very low	213 Å²	213	159.4 Å²	159.4	84%	0.835	82%	0.815	S	S	*	*			trans	-110.8	120.6	162.5	-126.3	-97.7	0	0	0	108.5
1179	I	29.7	Very low	28.8	Very low	146 Å²	146	164.8 Å²	164.8	75%	0.749	84%	0.835	S	S	*	*			trans	-89.9	114.5	-178.5	-69.9	163.5	0	0	0	106.9
1180	D	30.5	Very low	28.9	Very low	153 Å²	153	166 Å²	166	82%	0.818	84%	0.841	S	S	*	*			trans	-74.9	124.1	173.3	-85.3	-34.2	0	0	0	110.7	Q1182	D1180-Q1182 PolarHBondContact O-N 3.08Å
1181	Q	27.8	Very low	29.1	Very low	171 Å²	171	166.6 Å²	166.6	80%	0.799	84%	0.842	S	S	*	*			trans	-72.7	117.3	-179.5	-71.6	-179.5	-16.7	0	0	110.7	Q1183	Q1181-Q1183 PolarHBondContact O-N 3.45Å
1182	Q	27.3	Very low	29.2	Very low	185 Å²	185	165.5 Å²	165.5	86%	0.864	84%	0.844	S	S	*	*			trans	-65.1	114.7	160.8	-68.4	-179.6	-13.5	0	0	109.4	D1180	D1180-Q1182 PolarHBondContact O-N 3.08Å
1183	Q	31.1	Very low	29.4	Very low	179 Å²	179	168.9 Å²	168.9	84%	0.836	85%	0.849	S	S	*	*			trans	-103.5	103.3	160.9	-84.7	-173.1	-8.2	0	0	109.7	Q1181 N1185	Q1181-Q1183 PolarHBondContact O-N 3.45Å; Q1183-N1185 PolarHBondContact O-N 3.45Å
1184	N	29.4	Very low	29.6	Very low	145 Å²	145	168.9 Å²	168.9	78%	0.775	85%	0.848	S	S	*	*			trans	-47.7	126.2	160.3	-81.2	-33.4	0	0	0	111.2
1185	N	36.8	Very low	29.7	Very low	166 Å²	166	170.1 Å²	170.1	89%	0.888	85%	0.852	S	S	*	*			trans	-122.5	124.1	146.3	-101	-18.3	0	0	0	107.9	Q1183	Q1183-N1185 PolarHBondContact O-N 3.45Å
1186	N	31.5	Very low	29.5	Very low	151 Å²	151	173.9 Å²	173.9	81%	0.807	86%	0.858	S	S	*	*			trans	-47.1	145.9	-160.3	-73.7	-36.2	0	0	0	119.4
1187	N	28.6	Very low	29.8	Very low	150 Å²	150	174.8 Å²	174.8	80%	0.802	86%	0.859	S	S	*	*			trans	-31.2	132.9	158.3	-67.5	-26.8	0	0	0	115.8
1188	N	32.1	Very low	30	Very low	168 Å²	168	176.4 Å²	176.4	90%	0.898	86%	0.861	S	S	*	*			trans	178.1	75.1	136.2	-91.2	-18.7	0	0	0	112.9
1189	K	29.9	Very low	30.4	Very low	290 Å²	290	173.1 Å²	173.1	100%	1.261	86%	0.864	S	S	*	*			trans	162.2	0	132.5	-105.7	-173.7	178.3	179.4	0	111

Retrieved 1,189 of 1,189 residues in 402.6 ms (Link to these results)

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