A0A077Z2E1_TRITR Loading...

DUF3588 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2E1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,440 aa.

						>A0A077Z2E1_TRITR|A0A077Z2E1
MATGAFTGLQQQLNSCEGKSRSLVYLLIFKSFQAVVLVKQRLRSRTVMSDEAKSNEAVKCDWNWEDFASGLGLSSVPRHALQHILALQSDDRRSALVQLDEVTKEPVSWWPAIVLRSDGANALILPYLSTEPYSVFVVDGFSSVILRSQAWCKFTKIPLGRKIGSFDFSDHLLSELEDQKKPSDGTSWSSSQPEDGVAFRSRMFVPCEFFEPKRYVAVESPVEPGNFWPAQILRFVHGRLLLQPVGCLPANAFWLSCFSRRIIPASAINEMSAEYGWQYKCACSLFPVHNSSMRLQCMCSRWMNTKDSILVENAVRNSVPSKPFEVCMQLERHGLKSGYYLEVLHPVDRDAFYPAEVVNVLNNYYFVVQLFTDTVLDNQPPNTQRFKLHRRSTGFAPMGWCAKNHIRLGKEGKFNWTFFERRRHVKNCRSTFFDNTVESRPWRAGHYVEVAVGTGAVDEFALGIVIRVSPPFVWVQSDYFGPQRHRIFDMNDCTDLYPCGWSAAVDAPLNVYQKIPSPLKPPDCSLVTVYVNVGCSLGPHLCRTVLQKYPSVLGPGPAAKVLGYLFKIILASVHRPAPLCRAFYASFSQFCPSNKVLPIKANYANGQRLVELVVCDDARHVPNFLYHISVLLGACCSTFSLSELGSAGCPLKCTDKSGLRHTGLHGDCSGCPSCSAETRRALPVVKRQPKNKRRILFSKQGGPSRKKDKPTTLDAIAMTVEEVQREVAAAPQGPGAGPEGNVLAGRNPSIPEGQLSRMRASARQTQSVAPVVIATAVPVVPTLEKTEVKPPVVAVNGTVAPRFISEPSHVLNFTLPPVESNPLNWSHVELCTWLARIQGFGRTIVPIALKYHLNGESFMICNVDELAASLPLGDALKALEIARFLRDTFMAYMLLHLSGKELCTENSIRPPSYRGSADFSSYSFTLKSVATGKETEISVVRPLLAIALLILLPQNSRKLQLKHVHRLGLGTSISSNKHLLFSKEMRQEQCRRSLEALNDKQVEDQCSIGYSSAPSTTYSVGSERTEDHSISDAEFYDLDSVHCLKVVDDEGFFGEDDDDTFLSAKVVLWDSLDIDDVKPSPDFWACRNGSVQEVNEQTNKRSTGKAFFSLGRQLRTPVRSFHVLARVGKPEEEHIYEEIPDDLPCCSEAARKAELPPPLPPRHFHHPINDPEKVCMQVHFCGPNQPDLISRLLFFVLKTVNFEIKVVQEEVKSVDVIWDECVFMVDEMTTILRDPTYQKDIQGAIKNLCRMIPQIRSECENAIDSYTPAIFENLLDYLANPTPFCQKVGMCKGVIAAFVPMTDLLPAKGYGVQMDERKNTNSTCPFENIKTSSGLPAGCVFCKYGLSEIVDLMSTDTALSAIEGNVLGVCSIFPADWSDQCTDFMLMYFIATMKTVLANFDAKRTDTFVRYGYFQKSGQCGQSGDATDCFSQRRQTNEAP
					

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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	29.1	Very low	30.9	Very low	190 Å²	190	121.8 Å²	121.8	94%	0.936	73%	0.73	S	S	*	*				0	71.1	0	-60.9	168.4	-175	0	0	109.7	S974 S975	M1-S974 PolarHBondContact SD-OG 3.26Å; M1-S975 WeakPolarHBondContact CE-OG 3.49Å; M1-S975 PolarHBondContact SD-OG 2.85Å
2	A	23.2	Very low	31.1	Very low	100 Å²	100	124.3 Å²	124.3	83%	0.826	73%	0.728	S	S	*	*			trans	-132.6	25.7	-163.5	0	0	0	0	0	113.7
3	T	28.4	Very low	31.3	Very low	136 Å²	136	124.5 Å²	124.5	83%	0.834	72%	0.723	S	S	*	*	S	Bend	trans	-135.1	-2.9	-163.3	39.6	0	0	0	0	114.8
4	G	32.7	Very low	31.3	Very low	73 Å²	73	125.9 Å²	125.9	75%	0.753	73%	0.726	S	S	*	*	S	Bend	trans	-105.6	-1.1	-169.2	0	0	0	0	0	117.4
5	A	31.9	Very low	31.5	Very low	84 Å²	84	123.9 Å²	123.9	69%	0.694	72%	0.723	S	S	*	*	S	Bend	trans	-114.1	-12.3	-170.2	0	0	0	0	0	115.2
6	F	30.3	Very low	31.4	Very low	180 Å²	180	123.3 Å²	123.3	79%	0.789	73%	0.726	S	S	*	*	S	Bend	trans	-82.5	-30.7	-173.9	-116.3	-101.2	0	0	0	113.6	G8	F6-G8 VanDerWaalsContact C-N 3.34Å; F6-G8 PolarHBondContact O-N 3.26Å
7	T	34.9	Very low	31.1	Very low	107 Å²	107	128 Å²	128	66%	0.656	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-19.4	-174	44.4	0	0	0	0	114.6
8	G	33	Very low	31	Very low	50 Å²	50	124.5 Å²	124.5	52%	0.515	74%	0.735	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.9	-29.5	178.5	0	0	0	0	0	114.5	F6	F6-G8 VanDerWaalsContact C-N 3.34Å; F6-G8 PolarHBondContact O-N 3.26Å
9	L	31.4	Very low	31	Very low	111 Å²	111	127.8 Å²	127.8	58%	0.581	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-30.8	-179.2	-90.7	153.6	0	0	0	112.6	Q11 Q12 L13	L9-Q11 PolarHBondContact O-N 2.82Å; L9-Q12 PolarHBondContact O-N 3.23Å; L9-L13 PolarHBondContact O-N 2.76Å
10	Q	30.9	Very low	31	Very low	139 Å²	139	127.2 Å²	127.2	65%	0.65	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-11	-175.8	-157	159.2	0.6	0	0	113.8
11	Q	34.4	Very low	31.1	Very low	170 Å²	170	131.6 Å²	131.6	79%	0.794	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-12.4	168.7	-76.8	-172.6	-28.8	0	0	114.3	L9	L9-Q11 PolarHBondContact O-N 2.82Å
12	Q	33.6	Very low	31.4	Very low	152 Å²	152	126.3 Å²	126.3	71%	0.71	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-9.5	177.1	-65.5	-159.8	-61.3	0	0	114	L9	L9-Q12 PolarHBondContact O-N 3.23Å
13	L	32.7	Very low	31.9	Very low	127 Å²	127	127 Å²	127	67%	0.665	72%	0.718	S	S	*	*	S	Bend	trans	-85.4	-18.4	178	-82	158.4	0	0	0	113.8	L9 S15	L9-L13 PolarHBondContact O-N 2.76Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 2.79Å
14	N	32.6	Very low	32.3	Very low	143 Å²	143	123.7 Å²	123.7	77%	0.765	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	23.2	-174.2	-66.6	1.8	0	0	0	114.4
15	S	33.3	Very low	32.4	Very low	97 Å²	97	128.8 Å²	128.8	68%	0.678	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146	26	-174.9	77	0	0	0	0	115.5	L13	L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 2.79Å
16	C	29.7	Very low	32.6	Very low	114 Å²	114	129.1 Å²	129.1	77%	0.77	69%	0.685	S	S	*	*			trans	-142	80.9	178.5	-82.1	0	0	0	0	111.8
17	E	27.6	Very low	32.8	Very low	203 Å²	203	124.8 Å²	124.8	95%	0.949	67%	0.67	S	S	*	*			trans	-65.2	144.6	167	-62	177	127.6	0	0	111
18	G	29.4	Very low	32.9	Very low	65 Å²	65	124.5 Å²	124.5	67%	0.67	66%	0.663	S	S	*	*	S	Bend	trans	87.1	70.8	165	0	0	0	0	0	117.9
19	K	30.4	Very low	33.1	Very low	188 Å²	188	125 Å²	125	82%	0.817	65%	0.651	S	S	*	*			trans	-172.9	52.2	146.3	-101.8	148.7	-167.3	169.1	0	113.8	R21	K19-R21 PolarHBondContact O-N 3.1Å; K19-R21 VanDerWaalsContact O-N 3.13Å
20	S	30.8	Very low	33.2	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	90.1	177.6	40.2	0	0	0	0	112.9
21	R	34.1	Very low	33.4	Very low	219 Å²	219	123 Å²	123	83%	0.826	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.6	-32.8	157.6	-109.4	161.2	-170.1	-168.4	1.4	114	K19	K19-R21 PolarHBondContact O-N 3.1Å; K19-R21 VanDerWaalsContact O-N 3.13Å
22	S	34.1	Very low	33.5	Very low	79 Å²	79	120.8 Å²	120.8	55%	0.552	63%	0.633	S	S	*	*	H	α-helix	trans	-79.3	-16.3	-176.7	49.1	0	0	0	0	115.3	L26	S22-L26 PolarHBondContact O-N 2.91Å
23	L	34.8	Very low	33.6	Very low	115 Å²	115	117.3 Å²	117.3	60%	0.602	62%	0.617	S	S	*	*	H	α-helix	trans	-76.3	-36.1	-179	-100.6	151.2	0	0	0	113.6	L26 L27	L23-L26 WeakPolarHBondContact O-CB 3.21Å; L23-L26 PolarHBondContact O-N 3.49Å; L23-L27 PolarHBondContact O-N 2.54Å; L23-L27 VanDerWaalsContact O-N 3.1Å
24	V	36.4	Very low	33.5	Very low	67 Å²	67	113.7 Å²	113.7	41%	0.406	61%	0.606	S	S	.	*	H	α-helix	trans	-63.2	-49.9	177.2	179	0	0	0	0	110.3	L26 L27 I28	V24-L26 PolarHBondContact O-N 3.31Å; V24-L27 PolarHBondContact O-N 3.09Å; V24-I28 HydrophobicContact CG1-CD1 3.94Å; V24-I28 PolarHBondContact O-N 3.02Å
25	Y	33.8	Very low	33.7	Very low	180 Å²	180	109.8 Å²	109.8	71%	0.706	59%	0.587	S	S	*	*	H	α-helix	trans	-51.2	-43.3	172	-88	-90	0	0	0	112.3	L27 F29	Y25-L27 VanDerWaalsContact C-N 3.34Å; Y25-L27 PolarHBondContact O-N 3.23Å; Y25-F29 VanDerWaalsContact O-CB 3.31Å; Y25-F29 WeakPolarHBondContact O-CB 3.39Å; Y25-F29 PolarHBondContact O-N 2.73Å
26	L	36.1	Very low	33.8	Very low	90 Å²	90	108.6 Å²	108.6	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-70.2	-23.5	-179.4	-111.5	163.3	0	0	0	114.6	S22 L23 V24 K30	S22-L26 PolarHBondContact O-N 2.91Å; L23-L26 WeakPolarHBondContact O-CB 3.21Å; L23-L26 PolarHBondContact O-N 3.49Å; V24-L26 PolarHBondContact O-N 3.31Å; L26-K30 WeakPolarHBondContact O-CD 3.24Å; L26-K30 WeakPolarHBondContact O-CG 3.41Å
27	L	34.5	Very low	34	Very low	90 Å²	90	107.3 Å²	107.3	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-82.1	-46.1	174.1	-73.7	165.4	0	0	0	110.7	L23 V24 Y25 F29 K30 S31	L23-L27 PolarHBondContact O-N 2.54Å; L23-L27 VanDerWaalsContact O-N 3.1Å; V24-L27 PolarHBondContact O-N 3.09Å; Y25-L27 VanDerWaalsContact C-N 3.34Å; Y25-L27 PolarHBondContact O-N 3.23Å; L27-F29 VanDerWaalsContact C-N 3.31Å; L27-F29 PolarHBondContact O-N 2.88Å; L27-K30 PolarHBondContact O-N 3.49Å; L27-K30 VanDerWaalsContact O-N 3.08Å; L27-S31 PolarHBondContact O-N 3.01Å; L27-S31 VanDerWaalsContact O-N 3.08Å; L27-S31 PolarHBondContact O-OG 3Å
28	I	38	Very low	34.2	Very low	100 Å²	100	100.8 Å²	100.8	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-59.4	-42.5	174	-61.7	171.4	0	0	0	110.5	V24 K30 S31 F32	V24-I28 HydrophobicContact CG1-CD1 3.94Å; V24-I28 PolarHBondContact O-N 3.02Å; I28-K30 VanDerWaalsContact C-N 3.29Å; I28-K30 PolarHBondContact O-N 2.66Å; I28-S31 PolarHBondContact O-N 3.04Å; I28-F32 PolarHBondContact O-N 2.93Å
29	F	35.7	Very low	34.4	Very low	62 Å²	62	104.2 Å²	104.2	27%	0.272	53%	0.531	S	S	.	.	H	α-helix	trans	-51.2	-45.7	172.3	-124.2	-105.2	0	0	0	112.5	Y25 L27 F32 Q33 V102	Y25-F29 VanDerWaalsContact O-CB 3.31Å; Y25-F29 WeakPolarHBondContact O-CB 3.39Å; Y25-F29 PolarHBondContact O-N 2.73Å; L27-F29 VanDerWaalsContact C-N 3.31Å; L27-F29 PolarHBondContact O-N 2.88Å; F29-F32 PolarHBondContact O-N 3.01Å; F29-Q33 WeakPolarHBondContact O-CB 3.25Å; F29-Q33 PolarHBondContact O-N 3.03Å; F29-V102 HydrophobicContact CD1-CG2 3.55Å; F29-V102 HydrophobicContact CD2-CB 4.04Å; F29-V102 HydrophobicContact CD2-CG1 4.2Å; F29-V102 HydrophobicContact CD2-CG2 3.79Å; F29-V102 HydrophobicContact CE1-CB 4.11Å; F29-V102 HydrophobicContact CE1-CG2 3.41Å; F29-V102 VanDerWaalsContact CE1-CG2 3.41Å; F29-V102 HydrophobicContact CE2-CB 3.56Å; F29-V102 HydrophobicContact CE2-CG1 4.06Å; F29-V102 HydrophobicContact CE2-CG2 3.66Å; F29-V102 HydrophobicContact CG-CB 4.49Å; F29-V102 HydrophobicContact CG-CG2 3.74Å; F29-V102 HydrophobicContact CZ-CB 3.6Å; F29-V102 HydrophobicContact CZ-CG2 3.47Å; F29-V102 VanDerWaalsContact CZ-CG2 3.47Å
30	K	34.4	Very low	34.6	Very low	128 Å²	128	100.8 Å²	100.8	56%	0.557	52%	0.518	S	S	*	.	H	α-helix	trans	-75.2	-35.7	-174.5	-77.2	174.8	-179.8	177.2	0	112.3	L26 L27 I28 F32 Q33 A34	L26-K30 WeakPolarHBondContact O-CD 3.24Å; L26-K30 WeakPolarHBondContact O-CG 3.41Å; L27-K30 PolarHBondContact O-N 3.49Å; L27-K30 VanDerWaalsContact O-N 3.08Å; I28-K30 VanDerWaalsContact C-N 3.29Å; I28-K30 PolarHBondContact O-N 2.66Å; K30-F32 VanDerWaalsContact C-N 3.35Å; K30-Q33 PolarHBondContact O-N 3.46Å; K30-A34 WeakPolarHBondContact O-CB 3.33Å; K30-A34 PolarHBondContact O-N 2.94Å
31	S	35	Very low	34.6	Very low	80 Å²	80	103.2 Å²	103.2	56%	0.559	51%	0.509	S	S	*	.	H	α-helix	trans	-62.2	-43.1	169.3	-60.1	0	0	0	0	111.1	L27 I28 A34 V35	L27-S31 PolarHBondContact O-N 3.01Å; L27-S31 VanDerWaalsContact O-N 3.08Å; L27-S31 PolarHBondContact O-OG 3Å; I28-S31 PolarHBondContact O-N 3.04Å; S31-A34 WeakPolarHBondContact O-CB 3.48Å; S31-A34 PolarHBondContact O-N 2.83Å; S31-V35 WeakPolarHBondContact O-CG2 3.5Å; S31-V35 PolarHBondContact O-N 2.83Å
32	F	35.8	Very low	34.4	Very low	122 Å²	122	96.7 Å²	96.7	54%	0.535	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-44.4	175	-114.8	-99.2	0	0	0	112.9	I28 F29 K30 A34 V35 V36	I28-F32 PolarHBondContact O-N 2.93Å; F29-F32 PolarHBondContact O-N 3.01Å; K30-F32 VanDerWaalsContact C-N 3.35Å; F32-A34 VanDerWaalsContact C-N 3.28Å; F32-A34 PolarHBondContact O-N 2.87Å; F32-V35 PolarHBondContact O-N 2.97Å; F32-V36 WeakPolarHBondContact O-CG2 3.34Å; F32-V36 PolarHBondContact O-N 2.86Å
33	Q	35.9	Very low	34.3	Very low	80 Å²	80	100.2 Å²	100.2	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-59.6	-38.4	173.4	-80.9	-172.5	-24	0	0	111.9	F29 K30 V36 L37	F29-Q33 WeakPolarHBondContact O-CB 3.25Å; F29-Q33 PolarHBondContact O-N 3.03Å; K30-Q33 PolarHBondContact O-N 3.46Å; Q33-V36 PolarHBondContact O-N 3.45Å; Q33-L37 VanDerWaalsContact O-CB 3.29Å; Q33-L37 WeakPolarHBondContact O-CB 3.42Å; Q33-L37 WeakPolarHBondContact O-CG 3.41Å; Q33-L37 PolarHBondContact O-N 3.4Å
34	A	31.6	Very low	34.1	Very low	51 Å²	51	98.5 Å²	98.5	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-48.1	174.4	0	0	0	0	0	111.5	K30 S31 F32 V36 L37 V38	K30-A34 WeakPolarHBondContact O-CB 3.33Å; K30-A34 PolarHBondContact O-N 2.94Å; S31-A34 WeakPolarHBondContact O-CB 3.48Å; S31-A34 PolarHBondContact O-N 2.83Å; F32-A34 VanDerWaalsContact C-N 3.28Å; F32-A34 PolarHBondContact O-N 2.87Å; A34-V36 VanDerWaalsContact C-N 3.35Å; A34-V36 PolarHBondContact O-N 2.86Å; A34-L37 PolarHBondContact O-N 2.88Å; A34-V38 VanDerWaalsContact O-CB 3.27Å; A34-V38 WeakPolarHBondContact O-CB 3.29Å; A34-V38 VanDerWaalsContact O-CG2 3.22Å; A34-V38 WeakPolarHBondContact O-CG2 3.23Å; A34-V38 PolarHBondContact O-N 2.71Å
35	V	35.3	Very low	33.6	Very low	60 Å²	60	104.1 Å²	104.1	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-36.3	178.3	175.6	0	0	0	0	112.3	S31 F32 K39	S31-V35 WeakPolarHBondContact O-CG2 3.5Å; S31-V35 PolarHBondContact O-N 2.83Å; F32-V35 PolarHBondContact O-N 2.97Å; V35-K39 HydrophobicContact CG1-CD 4.33Å; V35-K39 WeakPolarHBondContact O-CB 3.45Å; V35-K39 WeakPolarHBondContact O-CG 3.48Å; V35-K39 PolarHBondContact O-N 2.99Å
36	V	36.3	Very low	33.4	Very low	72 Å²	72	100.3 Å²	100.3	44%	0.436	50%	0.499	S	S	.	.	H	α-helix	trans	-69.8	-45.8	175.8	173.5	0	0	0	0	111.4	F32 Q33 A34 V38 K39 Q40	F32-V36 WeakPolarHBondContact O-CG2 3.34Å; F32-V36 PolarHBondContact O-N 2.86Å; Q33-V36 PolarHBondContact O-N 3.45Å; A34-V36 VanDerWaalsContact C-N 3.35Å; A34-V36 PolarHBondContact O-N 2.86Å; V36-V38 VanDerWaalsContact C-N 3.31Å; V36-V38 PolarHBondContact O-N 3.01Å; V36-K39 PolarHBondContact O-N 2.83Å; V36-Q40 PolarHBondContact O-N 3.38Å
37	L	34.2	Very low	33	Very low	88 Å²	88	101.7 Å²	101.7	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-66.4	-31.6	175.5	-74.7	167.2	0	0	0	112.3	Q33 A34 Q40 R41	Q33-L37 VanDerWaalsContact O-CB 3.29Å; Q33-L37 WeakPolarHBondContact O-CB 3.42Å; Q33-L37 WeakPolarHBondContact O-CG 3.41Å; Q33-L37 PolarHBondContact O-N 3.4Å; A34-L37 PolarHBondContact O-N 2.88Å; L37-Q40 PolarHBondContact O-N 3.1Å; L37-R41 VanDerWaalsContact O-CB 3.32Å; L37-R41 WeakPolarHBondContact O-CB 3.32Å; L37-R41 VanDerWaalsContact O-CG 3.31Å; L37-R41 WeakPolarHBondContact O-CG 3.33Å; L37-R41 PolarHBondContact O-N 3.07Å
38	V	32	Very low	32.5	Very low	66 Å²	66	104 Å²	104	40%	0.4	52%	0.52	S	S	.	.	H	α-helix	trans	-69.2	-43.4	171.4	165.7	0	0	0	0	110.4	A34 V36 Q40 R41 L42	A34-V38 VanDerWaalsContact O-CB 3.27Å; A34-V38 WeakPolarHBondContact O-CB 3.29Å; A34-V38 VanDerWaalsContact O-CG2 3.22Å; A34-V38 WeakPolarHBondContact O-CG2 3.23Å; A34-V38 PolarHBondContact O-N 2.71Å; V36-V38 VanDerWaalsContact C-N 3.31Å; V36-V38 PolarHBondContact O-N 3.01Å; V38-Q40 VanDerWaalsContact C-N 3.28Å; V38-Q40 PolarHBondContact O-N 3.13Å; V38-R41 CarbonylContact O-C 3.53Å; V38-R41 PolarHBondContact O-N 3.17Å; V38-R41 VanDerWaalsContact O-N 3.15Å; V38-L42 HydrophobicContact CG1-CD1 3.67Å; V38-L42 HydrophobicContact CG1-CG 4.11Å; V38-L42 WeakPolarHBondContact O-CB 3.34Å; V38-L42 VanDerWaalsContact O-CG 3.24Å; V38-L42 WeakPolarHBondContact O-CG 3.33Å; V38-L42 PolarHBondContact O-N 3.24Å
39	K	33.1	Very low	32.1	Very low	137 Å²	137	104.3 Å²	104.3	60%	0.596	53%	0.532	S	S	*	.	H	α-helix	trans	-61.1	-35.5	172.6	-76.8	172.6	-179.2	171.4	0	112.5	V35 V36 R43	V35-K39 HydrophobicContact CG1-CD 4.33Å; V35-K39 WeakPolarHBondContact O-CB 3.45Å; V35-K39 WeakPolarHBondContact O-CG 3.48Å; V35-K39 PolarHBondContact O-N 2.99Å; V36-K39 PolarHBondContact O-N 2.83Å; K39-R43 WeakPolarHBondContact O-CG 3.43Å; K39-R43 PolarHBondContact O-N 3.03Å
40	Q	34.7	Very low	31.7	Very low	116 Å²	116	107.5 Å²	107.5	54%	0.542	55%	0.552	S	S	.	*	H	α-helix	trans	-72.8	-34.6	172.8	-71.8	176.3	-26.1	0	0	113.2	V36 L37 V38	V36-Q40 PolarHBondContact O-N 3.38Å; L37-Q40 PolarHBondContact O-N 3.1Å; V38-Q40 VanDerWaalsContact C-N 3.28Å; V38-Q40 PolarHBondContact O-N 3.13Å
41	R	30.1	Very low	31.3	Very low	166 Å²	166	109.9 Å²	109.9	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-79.6	-17.2	174.2	-74.5	176.3	172.2	179.8	-1.3	114.3	L37 V38 S44	L37-R41 VanDerWaalsContact O-CB 3.32Å; L37-R41 WeakPolarHBondContact O-CB 3.32Å; L37-R41 VanDerWaalsContact O-CG 3.31Å; L37-R41 WeakPolarHBondContact O-CG 3.33Å; L37-R41 PolarHBondContact O-N 3.07Å; V38-R41 CarbonylContact O-C 3.53Å; V38-R41 PolarHBondContact O-N 3.17Å; V38-R41 VanDerWaalsContact O-N 3.15Å; R41-S44 PolarHBondContact O-OG 3.31Å
42	L	30.6	Very low	31	Very low	81 Å²	81	110.9 Å²	110.9	42%	0.424	58%	0.577	S	S	.	*	H	α-helix	trans	-81.1	-33.1	171.3	-75	169.6	0	0	0	111.7	V38 S44 R45 T46	V38-L42 HydrophobicContact CG1-CD1 3.67Å; V38-L42 HydrophobicContact CG1-CG 4.11Å; V38-L42 WeakPolarHBondContact O-CB 3.34Å; V38-L42 VanDerWaalsContact O-CG 3.24Å; V38-L42 WeakPolarHBondContact O-CG 3.33Å; V38-L42 PolarHBondContact O-N 3.24Å; L42-S44 PolarHBondContact O-N 3.27Å; L42-S44 VanDerWaalsContact O-N 3.12Å; L42-R45 PolarHBondContact O-N 3.06Å; L42-T46 HydrophobicContact CB-CG2 4.41Å; L42-T46 HydrophobicContact CD2-CG2 3.94Å; L42-T46 PolarHBondContact O-N 2.94Å; L42-T46 VanDerWaalsContact O-N 3.11Å; L42-T46 PolarHBondContact O-OG1 2.97Å
43	R	31.4	Very low	30.6	Very low	154 Å²	154	112.5 Å²	112.5	58%	0.581	58%	0.584	S	S	*	*	H	α-helix	trans	-51.6	-34.2	169.6	-75.5	179.8	-173.6	-138.3	-9.1	111.9	K39 D506	K39-R43 WeakPolarHBondContact O-CG 3.43Å; K39-R43 PolarHBondContact O-N 3.03Å; R43-D506 IonicContact CZ-OD1 2.69Å; R43-D506 VanDerWaalsContact CZ-OD1 3.24Å; R43-D506 IonicContact CZ-OD2 3.31Å; R43-D506 IonicContact NH1-OD1 2.7Å; R43-D506 PolarHBondContact NH1-OD1 3.01Å; R43-D506 IonicContact NH2-OD1 2.71Å; R43-D506 PolarHBondContact NH2-OD1 2.72Å; R43-D506 IonicContact NH2-OD2 2.62Å; R43-D506 PolarHBondContact NH2-OD2 2.85Å
44	S	31.4	Very low	30	Very low	79 Å²	79	114.1 Å²	114.1	55%	0.552	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	8.2	176.6	39.5	0	0	0	0	115.6	R41 L42	R41-S44 PolarHBondContact O-OG 3.31Å; L42-S44 PolarHBondContact O-N 3.27Å; L42-S44 VanDerWaalsContact O-N 3.12Å
45	R	26.6	Very low	29.7	Very low	184 Å²	184	119.3 Å²	119.3	69%	0.694	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	-8.7	-178.1	-89.6	-172.2	167.6	-171.9	-5.9	118.3	L42 V47	L42-R45 PolarHBondContact O-N 3.06Å; R45-V47 PolarHBondContact O-N 3.41Å
46	T	28.6	Very low	29.3	Very low	101 Å²	101	125.7 Å²	125.7	62%	0.62	65%	0.651	S	S	*	*	S	Bend	trans	-97.6	46.1	-176.4	54.6	0	0	0	0	116	L42	L42-T46 HydrophobicContact CB-CG2 4.41Å; L42-T46 HydrophobicContact CD2-CG2 3.94Å; L42-T46 PolarHBondContact O-N 2.94Å; L42-T46 VanDerWaalsContact O-N 3.11Å; L42-T46 PolarHBondContact O-OG1 2.97Å
47	V	27.9	Very low	28.8	Very low	118 Å²	118	125.2 Å²	125.2	72%	0.715	66%	0.655	S	S	*	*			trans	-142.3	79.4	141.3	-173.1	0	0	0	0	107.8	R45	R45-V47 PolarHBondContact O-N 3.41Å
48	M	24.7	Very low	28.4	Very low	138 Å²	138	126.4 Å²	126.4	68%	0.68	67%	0.666	S	S	*	*			trans	-116.4	118	166.5	-83.5	-175.1	59.7	0	0	109
49	S	28.6	Very low	28.2	Very low	108 Å²	108	131.7 Å²	131.7	76%	0.755	68%	0.683	S	S	*	*			trans	-148.8	60.6	164.2	65	0	0	0	0	108.1
50	D	27.5	Very low	28.1	Very low	129 Å²	129	129.9 Å²	129.9	69%	0.69	69%	0.686	S	S	*	*			trans	48.7	139.5	147.1	-54.1	-24.2	0	0	0	122.7
51	E	26.3	Very low	28.5	Very low	178 Å²	178	129.8 Å²	129.8	83%	0.832	69%	0.69	S	S	*	*			trans	60.9	78.3	155	-61.6	-164.2	141.2	0	0	120.5
52	A	28.7	Very low	29.6	Very low	100 Å²	100	125.5 Å²	125.5	83%	0.826	67%	0.674	S	S	*	*			trans	-130.8	92	140.9	0	0	0	0	0	109.9
53	K	26.2	Very low	30.7	Very low	157 Å²	157	124.4 Å²	124.4	68%	0.683	67%	0.668	S	S	*	*			trans	-61.2	145.3	176	-69.7	-177	179.3	179.7	0	109.7	D1059	K53-D1059 IonicContact NZ-OD2 3.58Å
54	S	25.2	Very low	32.1	Very low	114 Å²	114	118.1 Å²	118.1	80%	0.797	64%	0.644	S	S	*	*	S	Bend	trans	82	50.7	175.6	78.4	0	0	0	0	120.2
55	N	25.3	Very low	33	Very low	160 Å²	160	118.6 Å²	118.6	86%	0.856	64%	0.638	S	S	*	*			trans	-170.1	93.9	142.1	-103.8	-62.8	0	0	0	111.5	A57	N55-A57 PolarHBondContact O-N 3.44Å
56	E	25	Very low	34.1	Very low	193 Å²	193	115 Å²	115	90%	0.902	63%	0.633	S	S	*	*			trans	-72.2	84.5	179.2	-69.5	-166.5	135.2	0	0	112.8	V58	E56-V58 PolarHBondContact O-N 3.27Å; E56-V58 VanDerWaalsContact O-N 3.14Å
57	A	27.2	Very low	35.1	Very low	63 Å²	63	110.9 Å²	110.9	52%	0.521	61%	0.606	S	S	.	*			trans	-76.9	88.7	161	0	0	0	0	0	109.1	N55 K59	N55-A57 PolarHBondContact O-N 3.44Å; A57-K59 PolarHBondContact O-N 2.77Å
58	V	25.9	Very low	36.1	Very low	113 Å²	113	107.5 Å²	107.5	69%	0.685	59%	0.59	S	S	*	*			trans	-54	110.8	174.5	-175.5	0	0	0	0	109.2	E56 C60	E56-V58 PolarHBondContact O-N 3.27Å; E56-V58 VanDerWaalsContact O-N 3.14Å; V58-C60 PolarHBondContact O-N 3.22Å
59	K	27.8	Very low	36.9	Very low	176 Å²	176	105.4 Å²	105.4	77%	0.765	59%	0.589	S	S	*	*			trans	-82.6	70.8	179.4	-165.8	-175.1	-177.1	-170.8	0	108.8	A57 D61	A57-K59 PolarHBondContact O-N 2.77Å; K59-D61 PolarHBondContact O-N 2.86Å
60	C	29.9	Very low	37.4	Very low	99 Å²	99	100.8 Å²	100.8	67%	0.669	56%	0.558	S	S	*	*			trans	-59.9	128.6	174.3	-64.7	0	0	0	0	109.9	V58	V58-C60 PolarHBondContact O-N 3.22Å
61	D	43.6	Very low	38	Very low	114 Å²	114	95.9 Å²	95.9	61%	0.61	53%	0.532	S	S	*	.			trans	-59.5	135.7	164.7	-70	-45.4	0	0	0	109.1	K59 N63	K59-D61 PolarHBondContact O-N 2.86Å; D61-N63 PolarHBondContact O-N 2.67Å
62	W	52.6	Low	38.9	Very low	77 Å²	77	88.4 Å²	88.4	29%	0.292	50%	0.503	S	S	.	.			trans	-77.5	110.5	-174.2	176.1	-85.2	0	0	0	111.1	W64 F67 L462 L509 V511 I515	W62-W64 AromaticContact CD1-CD1 3.87Å; W62-W64 AromaticContact CD1-NE1 3.81Å; W62-W64 HydrophobicContact CZ2-CE3 4.29Å; W62-W64 AromaticContact CZ2-CH2 3.99Å; W62-W64 HydrophobicContact CZ2-CH2 3.99Å; W62-W64 HydrophobicContact CZ2-CZ2 4.24Å; W62-W64 HydrophobicContact CZ2-CZ3 4.03Å; W62-W64 AromaticContact NE1-CD1 3.66Å; W62-W64 AromaticContact NE1-CD2 3.35Å; W62-W64 VanDerWaalsContact NE1-CD2 3.35Å; W62-W64 AromaticContact NE1-CE2 3.19Å; W62-W64 AromaticContact NE1-CE3 3.94Å; W62-W64 AromaticContact NE1-CG 3.66Å; W62-W64 AromaticContact NE1-CZ2 3.65Å; W62-W64 AromaticContact NE1-NE1 3.4Å; W62-F67 HydrophobicContact CH2-CD1 4.37Å; W62-F67 AromaticContact CH2-CD2 3.45Å; W62-F67 HydrophobicContact CH2-CD2 3.45Å; W62-F67 VanDerWaalsContact CH2-CD2 3.45Å; W62-F67 HydrophobicContact CH2-CE1 4.21Å; W62-F67 AromaticContact CH2-CE2 3.29Å; W62-F67 HydrophobicContact CH2-CE2 3.29Å; W62-F67 HydrophobicContact CH2-CG 4Å; W62-F67 AromaticContact CH2-CZ 3.67Å; W62-F67 HydrophobicContact CH2-CZ 3.67Å; W62-F67 HydrophobicContact CZ2-CB 4.37Å; W62-F67 AromaticContact CZ2-CD1 3.96Å; W62-F67 HydrophobicContact CZ2-CD1 3.96Å; W62-F67 AromaticContact CZ2-CD2 3.73Å; W62-F67 HydrophobicContact CZ2-CD2 3.73Å; W62-F67 HydrophobicContact CZ2-CE1 4.05Å; W62-F67 AromaticContact CZ2-CE2 3.88Å; W62-F67 HydrophobicContact CZ2-CE2 3.88Å; W62-F67 AromaticContact CZ2-CG 3.77Å; W62-F67 HydrophobicContact CZ2-CG 3.77Å; W62-F67 AromaticContact CZ2-CZ 4Å; W62-F67 HydrophobicContact CZ2-CZ 4Å; W62-F67 HydrophobicContact CZ3-CD2 4.23Å; W62-F67 HydrophobicContact CZ3-CE2 4.18Å; W62-L462 HydrophobicContact CH2-CD2 3.38Å; W62-L462 HydrophobicContact CZ2-CD1 4.34Å; W62-L462 HydrophobicContact CZ2-CD2 3.67Å; W62-L462 HydrophobicContact CZ3-CD2 3.97Å; W62-L509 HydrophobicContact CG-CD2 4.18Å; W62-V511 HydrophobicContact CB-CG2 4.28Å; W62-V511 HydrophobicContact CD2-CG2 3.92Å; W62-V511 HydrophobicContact CE3-CB 4.41Å; W62-V511 HydrophobicContact CE3-CG1 3.97Å; W62-V511 HydrophobicContact CE3-CG2 3.82Å; W62-V511 HydrophobicContact CG-CG2 4.14Å; W62-V511 HydrophobicContact CZ3-CG1 3.93Å; W62-V511 HydrophobicContact CZ3-CG2 4.42Å; W62-I515 HydrophobicContact CH2-CD1 3.79Å; W62-I515 HydrophobicContact CZ3-CD1 3.89Å
63	N	54.5	Low	40.2	Very low	57 Å²	57	85 Å²	85	31%	0.305	47%	0.47	S	S	.	.			trans	-97.6	123.3	170.6	-170.1	5.4	0	0	0	111.5	D61 E65 D66 F67	D61-N63 PolarHBondContact O-N 2.67Å; N63-E65 VanDerWaalsContact C-N 3.3Å; N63-E65 PolarHBondContact ND2-OE2 2.71Å; N63-E65 PolarHBondContact O-N 3.13Å; N63-E65 WeakPolarHBondContact OD1-CB 3.24Å; N63-E65 WeakPolarHBondContact OD1-CG 3.28Å; N63-E65 PolarHBondContact OD1-N 2.78Å; N63-D66 HydrophobicContact CB-CB 4.41Å; N63-D66 WeakPolarHBondContact CB-OD2 3.2Å; N63-D66 PolarHBondContact ND2-OD2 2.84Å; N63-F67 PolarHBondContact O-N 3.14Å
64	W	60.1	Low	42.1	Very low	22 Å²	22	79 Å²	79	8%	0.083	45%	0.448	C	S	.	.	H	α-helix	trans	-70.5	-23.5	173.1	-83	112.2	0	0	0	113.3	W62 F67 A68 E449 L462 C499 G500 L509	W62-W64 AromaticContact CD1-CD1 3.87Å; W62-W64 AromaticContact CD1-NE1 3.81Å; W62-W64 HydrophobicContact CZ2-CE3 4.29Å; W62-W64 AromaticContact CZ2-CH2 3.99Å; W62-W64 HydrophobicContact CZ2-CH2 3.99Å; W62-W64 HydrophobicContact CZ2-CZ2 4.24Å; W62-W64 HydrophobicContact CZ2-CZ3 4.03Å; W62-W64 AromaticContact NE1-CD1 3.66Å; W62-W64 AromaticContact NE1-CD2 3.35Å; W62-W64 VanDerWaalsContact NE1-CD2 3.35Å; W62-W64 AromaticContact NE1-CE2 3.19Å; W62-W64 AromaticContact NE1-CE3 3.94Å; W62-W64 AromaticContact NE1-CG 3.66Å; W62-W64 AromaticContact NE1-CZ2 3.65Å; W62-W64 AromaticContact NE1-NE1 3.4Å; W64-F67 HydrophobicContact CE3-CB 4.3Å; W64-F67 AromaticContact CE3-CD1 3.74Å; W64-F67 HydrophobicContact CE3-CD1 3.74Å; W64-F67 HydrophobicContact CE3-CE1 4.48Å; W64-F67 HydrophobicContact CE3-CG 4.36Å; W64-F67 HydrophobicContact CH2-CD1 4.47Å; W64-F67 HydrophobicContact CH2-CE1 4.45Å; W64-F67 AromaticContact CZ3-CD1 3.42Å; W64-F67 HydrophobicContact CZ3-CD1 3.42Å; W64-F67 VanDerWaalsContact CZ3-CD1 3.42Å; W64-F67 AromaticContact CZ3-CE1 3.72Å; W64-F67 HydrophobicContact CZ3-CE1 3.72Å; W64-F67 HydrophobicContact CZ3-CG 4.36Å; W64-F67 PolarHBondContact O-N 2.71Å; W64-A68 VanDerWaalsContact O-CB 3.22Å; W64-A68 WeakPolarHBondContact O-CB 3.43Å; W64-A68 PolarHBondContact O-N 3.25Å; W64-E449 VanDerWaalsContact CE2-OE1 3.28Å; W64-E449 HydrophobicContact CZ2-CG 4.21Å; W64-E449 WeakPolarHBondContact CZ2-OE1 3.47Å; W64-E449 PolarHBondContact NE1-OE1 2.8Å; W64-L462 HydrophobicContact CH2-CD1 3.48Å; W64-L462 VanDerWaalsContact CH2-CD1 3.48Å; W64-L462 HydrophobicContact CZ2-CD1 3.69Å; W64-C499 HydrophobicContact CD2-CB 3.99Å; W64-C499 HydrophobicContact CE3-CB 3.87Å; W64-C499 HydrophobicContact CH2-CB 3.38Å; W64-C499 WeakPolarHBondContact CH2-SG 3.46Å; W64-C499 HydrophobicContact CZ2-CB 3.49Å; W64-C499 VanDerWaalsContact CZ2-CB 3.49Å; W64-C499 HydrophobicContact CZ3-CB 3.57Å; W64-G500 VanDerWaalsContact CD1-CA 3.5Å; W64-G500 VanDerWaalsContact NE1-N 3.16Å; W64-L509 HydrophobicContact CZ2-CD2 4.13Å
65	E	50.9	Low	44.5	Very low	89 Å²	89	73.8 Å²	73.8	42%	0.416	41%	0.412	S	S	.	.	H	α-helix	trans	-68.9	-47.2	178.8	-55.4	173.6	137.8	0	0	111.3	N63 F67 A68 S69 V137	N63-E65 VanDerWaalsContact C-N 3.3Å; N63-E65 PolarHBondContact ND2-OE2 2.71Å; N63-E65 PolarHBondContact O-N 3.13Å; N63-E65 WeakPolarHBondContact OD1-CB 3.24Å; N63-E65 WeakPolarHBondContact OD1-CG 3.28Å; N63-E65 PolarHBondContact OD1-N 2.78Å; E65-F67 VanDerWaalsContact C-N 3.26Å; E65-F67 PolarHBondContact O-N 3.13Å; E65-A68 PolarHBondContact O-N 3.15Å; E65-S69 WeakPolarHBondContact O-CB 3.46Å; E65-S69 PolarHBondContact O-N 3.35Å; E65-S69 PolarHBondContact O-OG 3.35Å; E65-V137 HydrophobicContact CG-CB 4.31Å; E65-V137 HydrophobicContact CG-CG1 4.33Å; E65-V137 HydrophobicContact CG-CG2 4.36Å
66	D	49.1	Very low	47.2	Very low	109 Å²	109	66.1 Å²	66.1	58%	0.583	37%	0.371	S	S	*	.	H	α-helix	trans	-59.3	-40.2	174.7	-61.5	-31.6	0	0	0	111.1	N63 G70	N63-D66 HydrophobicContact CB-CB 4.41Å; N63-D66 WeakPolarHBondContact CB-OD2 3.2Å; N63-D66 PolarHBondContact ND2-OD2 2.84Å; D66-G70 WeakPolarHBondContact O-CA 3.32Å; D66-G70 PolarHBondContact O-N 3.45Å
67	F	51	Low	49.6	Very low	15 Å²	15	58.6 Å²	58.6	7%	0.066	34%	0.338	C	S	.	.	H	α-helix	trans	-69.8	-44.5	-179.5	-161.2	-104.8	0	0	0	112.6	W62 N63 W64 E65 L71 L73 Y447	W62-F67 HydrophobicContact CH2-CD1 4.37Å; W62-F67 AromaticContact CH2-CD2 3.45Å; W62-F67 HydrophobicContact CH2-CD2 3.45Å; W62-F67 VanDerWaalsContact CH2-CD2 3.45Å; W62-F67 HydrophobicContact CH2-CE1 4.21Å; W62-F67 AromaticContact CH2-CE2 3.29Å; W62-F67 HydrophobicContact CH2-CE2 3.29Å; W62-F67 HydrophobicContact CH2-CG 4Å; W62-F67 AromaticContact CH2-CZ 3.67Å; W62-F67 HydrophobicContact CH2-CZ 3.67Å; W62-F67 HydrophobicContact CZ2-CB 4.37Å; W62-F67 AromaticContact CZ2-CD1 3.96Å; W62-F67 HydrophobicContact CZ2-CD1 3.96Å; W62-F67 AromaticContact CZ2-CD2 3.73Å; W62-F67 HydrophobicContact CZ2-CD2 3.73Å; W62-F67 HydrophobicContact CZ2-CE1 4.05Å; W62-F67 AromaticContact CZ2-CE2 3.88Å; W62-F67 HydrophobicContact CZ2-CE2 3.88Å; W62-F67 AromaticContact CZ2-CG 3.77Å; W62-F67 HydrophobicContact CZ2-CG 3.77Å; W62-F67 AromaticContact CZ2-CZ 4Å; W62-F67 HydrophobicContact CZ2-CZ 4Å; W62-F67 HydrophobicContact CZ3-CD2 4.23Å; W62-F67 HydrophobicContact CZ3-CE2 4.18Å; N63-F67 PolarHBondContact O-N 3.14Å; W64-F67 HydrophobicContact CE3-CB 4.3Å; W64-F67 AromaticContact CE3-CD1 3.74Å; W64-F67 HydrophobicContact CE3-CD1 3.74Å; W64-F67 HydrophobicContact CE3-CE1 4.48Å; W64-F67 HydrophobicContact CE3-CG 4.36Å; W64-F67 HydrophobicContact CH2-CD1 4.47Å; W64-F67 HydrophobicContact CH2-CE1 4.45Å; W64-F67 AromaticContact CZ3-CD1 3.42Å; W64-F67 HydrophobicContact CZ3-CD1 3.42Å; W64-F67 VanDerWaalsContact CZ3-CD1 3.42Å; W64-F67 AromaticContact CZ3-CE1 3.72Å; W64-F67 HydrophobicContact CZ3-CE1 3.72Å; W64-F67 HydrophobicContact CZ3-CG 4.36Å; W64-F67 PolarHBondContact O-N 2.71Å; E65-F67 VanDerWaalsContact C-N 3.26Å; E65-F67 PolarHBondContact O-N 3.13Å; F67-L71 HydrophobicContact CD2-CD1 3.65Å; F67-L71 HydrophobicContact CE2-CD1 3.79Å; F67-L71 HydrophobicContact CG-CD1 4.41Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 2.92Å; F67-L73 HydrophobicContact CD1-CB 4.43Å; F67-L73 HydrophobicContact CD1-CD1 4.13Å; F67-L73 HydrophobicContact CD2-CD1 4.42Å; F67-L73 HydrophobicContact CE1-CB 4.02Å; F67-L73 HydrophobicContact CE1-CD1 3.44Å; F67-L73 VanDerWaalsContact CE1-CD1 3.44Å; F67-L73 HydrophobicContact CE1-CG 4.35Å; F67-L73 HydrophobicContact CE2-CD1 3.74Å; F67-L73 HydrophobicContact CZ-CD1 3.23Å; F67-Y447 HydrophobicContact CE1-CD1 4.07Å; F67-Y447 HydrophobicContact CE1-CD2 4.01Å; F67-Y447 HydrophobicContact CE1-CE1 4.09Å; F67-Y447 HydrophobicContact CE1-CE2 4.06Å; F67-Y447 HydrophobicContact CE1-CG 4.01Å; F67-Y447 HydrophobicContact CZ-CD1 4.13Å; F67-Y447 HydrophobicContact CZ-CD2 4.44Å; F67-Y447 AromaticContact CZ-CE1 3.71Å; F67-Y447 HydrophobicContact CZ-CE1 3.71Å; F67-Y447 HydrophobicContact CZ-CE2 4.08Å; F67-Y447 HydrophobicContact CZ-CG 4.46Å; F67-Y447 AromaticContact CZ-CZ 3.67Å
68	A	47.4	Very low	51.8	Low	46 Å²	46	56.7 Å²	56.7	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-76.3	-40.3	-178.7	0	0	0	0	0	112.9	W64 E65	W64-A68 VanDerWaalsContact O-CB 3.22Å; W64-A68 WeakPolarHBondContact O-CB 3.43Å; W64-A68 PolarHBondContact O-N 3.25Å; E65-A68 PolarHBondContact O-N 3.15Å
69	S	43.3	Very low	54.2	Low	95 Å²	95	56.7 Å²	56.7	66%	0.664	31%	0.31	S	S	*	.	H	α-helix	trans	-74.7	-36.2	179.1	65.6	0	0	0	0	112.7	E65	E65-S69 WeakPolarHBondContact O-CB 3.46Å; E65-S69 PolarHBondContact O-N 3.35Å; E65-S69 PolarHBondContact O-OG 3.35Å
70	G	38.5	Very low	56.6	Low	10 Å²	10	48.8 Å²	48.8	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-86.2	-36.6	-173	0	0	0	0	0	115.3	D66 H620	D66-G70 WeakPolarHBondContact O-CA 3.32Å; D66-G70 PolarHBondContact O-N 3.45Å; G70-H620 PolarHBondContact O-NE2 2.84Å
71	L	39.9	Very low	59.1	Low	27 Å²	27	44 Å²	44	14%	0.141	25%	0.246	C	C	.	.	H	α-helix	trans	-113.9	-5.5	-158.2	-62.2	175.8	0	0	0	116.4	F67 L73 H620	F67-L71 HydrophobicContact CD2-CD1 3.65Å; F67-L71 HydrophobicContact CE2-CD1 3.79Å; F67-L71 HydrophobicContact CG-CD1 4.41Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 2.92Å; L71-L73 HydrophobicContact CB-CD1 3.62Å; L71-L73 HydrophobicContact CB-CG 3.7Å; L71-L73 HydrophobicContact CD1-CD1 4.01Å; L71-L73 HydrophobicContact CG-CD1 4.49Å; L71-L73 WeakPolarHBondContact O-CG 3.48Å; L71-L73 PolarHBondContact O-N 3.06Å; L71-H620 PolarHBondContact O-CD2 3Å
72	G	44.2	Very low	60.7	Low	20 Å²	20	44.5 Å²	44.5	21%	0.206	24%	0.244	C	C	.	.			trans	76.8	10.3	177.4	0	0	0	0	0	115.8
73	L	56.8	Low	62	Low	28 Å²	28	41.3 Å²	41.3	15%	0.147	23%	0.232	C	C	.	.			trans	-89	135.5	-172.5	-50.7	175.9	0	0	0	108.9	F67 L71 Y447	F67-L73 HydrophobicContact CD1-CB 4.43Å; F67-L73 HydrophobicContact CD1-CD1 4.13Å; F67-L73 HydrophobicContact CD2-CD1 4.42Å; F67-L73 HydrophobicContact CE1-CB 4.02Å; F67-L73 HydrophobicContact CE1-CD1 3.44Å; F67-L73 VanDerWaalsContact CE1-CD1 3.44Å; F67-L73 HydrophobicContact CE1-CG 4.35Å; F67-L73 HydrophobicContact CE2-CD1 3.74Å; F67-L73 HydrophobicContact CZ-CD1 3.23Å; L71-L73 HydrophobicContact CB-CD1 3.62Å; L71-L73 HydrophobicContact CB-CG 3.7Å; L71-L73 HydrophobicContact CD1-CD1 4.01Å; L71-L73 HydrophobicContact CG-CD1 4.49Å; L71-L73 WeakPolarHBondContact O-CG 3.48Å; L71-L73 PolarHBondContact O-N 3.06Å; L73-Y447 HydrophobicContact CB-CD2 3.97Å; L73-Y447 HydrophobicContact CB-CE2 3.85Å; L73-Y447 HydrophobicContact CD1-CD2 4.48Å; L73-Y447 HydrophobicContact CD1-CE2 3.68Å; L73-Y447 HydrophobicContact CD2-CE2 4.05Å; L73-Y447 HydrophobicContact CG-CE2 4.03Å
74	S	65.1	Low	63.1	Low	32 Å²	32	38.6 Å²	38.6	22%	0.224	22%	0.218	C	C	.	.			trans	-109.8	147.3	176.9	52.7	0	0	0	0	111.5	H446 Y447	S74-H446 CarbonylContact O-C 3.58Å; S74-H446 VanDerWaalsContact O-CA 3.28Å; S74-H446 WeakPolarHBondContact O-CA 3.39Å; S74-H446 PolarHBondContact OG-CD2 2.91Å; S74-H446 PolarHBondContact OG-NE2 2.97Å; S74-H446 VanDerWaalsContact OG-NE2 3.14Å; S74-Y447 PolarHBondContact O-N 3.28Å
75	S	76.4	Confident	63.7	Low	4 Å²	4	40.9 Å²	40.9	3%	0.028	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-70.7	161.7	166.4	-175.5	0	0	0	0	111.2	P77 D118 G119 H446 Y447 C499	S75-P77 WeakPolarHBondContact O-CD 3.24Å; S75-D118 WeakPolarHBondContact CB-OD1 3.38Å; S75-D118 PolarHBondContact N-OD1 2.79Å; S75-G119 VanDerWaalsContact CB-N 3.26Å; S75-G119 VanDerWaalsContact OG-CA 3.29Å; S75-G119 WeakPolarHBondContact OG-CA 3.32Å; S75-H446 PolarHBondContact O-ND1 3.36Å; S75-Y447 CarbonylContact C-O 3.54Å; S75-Y447 WeakPolarHBondContact CA-O 3.36Å; S75-C499 VanDerWaalsContact CB-SG 3.55Å; S75-C499 PolarHBondContact OG-N 3.15Å; S75-C499 PolarHBondContact OG-SG 3.45Å
76	V	81.3	Confident	64.4	Low	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-52.1	122.7	148.5	174.8	0	0	0	0	108.4	A80 L81 W442 H446 Y447 V448 V465	V76-A80 HydrophobicContact CG1-CB 3.62Å; V76-L81 HydrophobicContact CG1-CD1 4.13Å; V76-L81 HydrophobicContact CG1-CD2 4.18Å; V76-L81 HydrophobicContact CG1-CG 4.02Å; V76-W442 HydrophobicContact CB-CZ3 4.44Å; V76-W442 HydrophobicContact CG1-CD2 4.49Å; V76-W442 HydrophobicContact CG1-CE3 4.06Å; V76-W442 HydrophobicContact CG1-CH2 4Å; V76-W442 HydrophobicContact CG1-CZ2 4.41Å; V76-W442 HydrophobicContact CG1-CZ3 3.8Å; V76-W442 HydrophobicContact CG2-CE3 3.92Å; V76-W442 HydrophobicContact CG2-CZ3 3.71Å; V76-H446 HydrophobicContact CG2-CB 3.94Å; V76-Y447 PolarHBondContact N-O 3.48Å; V76-V448 HydrophobicContact CB-CG2 4.39Å; V76-V448 HydrophobicContact CG2-CB 3.92Å; V76-V448 HydrophobicContact CG2-CG2 4.07Å; V76-V465 HydrophobicContact CG2-CG2 3.89Å
77	P	75.6	Confident	65.3	Low	34 Å²	34	34.4 Å²	34.4	22%	0.221	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-65.3	145.3	179.2	-22.1	33.5	0	0	0	111.5	S75 H79 A80 P441	S75-P77 WeakPolarHBondContact O-CD 3.24Å; P77-H79 VanDerWaalsContact CB-CE1 3.47Å; P77-H79 WeakPolarHBondContact CB-CE1 3.45Å; P77-H79 PolarHBondContact O-N 2.8Å; P77-H79 VanDerWaalsContact O-N 3.09Å; P77-A80 WeakPolarHBondContact O-CB 3.29Å; P77-A80 PolarHBondContact O-N 2.89Å; P77-P441 VanDerWaalsContact CD-O 3.23Å; P77-P441 WeakPolarHBondContact CD-O 3.41Å; P77-P441 HydrophobicContact CG-CB 4.48Å
78	R	74.8	Confident	65.8	Low	23 Å²	23	37.2 Å²	37.2	9%	0.087	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-49.7	-40.6	178.6	-52.8	177	-167	-161.7	17.6	112.9	A80 L81 I84 G119 A120 N121 G140 F141 P498	R78-A80 PolarHBondContact O-N 2.85Å; R78-L81 PolarHBondContact O-N 2.88Å; R78-I84 HydrophobicContact CB-CG2 4.22Å; R78-G119 WeakPolarHBondContact CD-O 3.48Å; R78-G119 WeakPolarHBondContact CG-O 3.28Å; R78-G119 PolarHBondContact NE-O 3.09Å; R78-A120 PolarHBondContact NH2-O 2.9Å; R78-N121 VanDerWaalsContact NH2-C 3.27Å; R78-N121 PolarHBondContact NH2-O 3.02Å; R78-G140 PolarHBondContact NH1-O 3.36Å; R78-F141 HydrophobicContact CG-CE2 4.18Å; R78-F141 HydrophobicContact CG-CZ 4.25Å; R78-P498 HydrophobicContact CG-CB 4.42Å
79	H	74.6	Confident	65.9	Low	114 Å²	114	39.9 Å²	39.9	53%	0.528	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-72.4	-5.8	-179.3	66.4	-103.8	0	0	0	114.9	P77 L81 L85 P441	P77-H79 VanDerWaalsContact CB-CE1 3.47Å; P77-H79 WeakPolarHBondContact CB-CE1 3.45Å; P77-H79 PolarHBondContact O-N 2.8Å; P77-H79 VanDerWaalsContact O-N 3.09Å; H79-L81 VanDerWaalsContact C-N 3.28Å; H79-L85 HydrophobicContact CB-CD1 4.3Å; H79-L85 HydrophobicContact CB-CD2 4.04Å; H79-P441 WeakPolarHBondContact NE2-CB 3.33Å
80	A	79	Confident	65.8	Low	9 Å²	9	40 Å²	40	7%	0.074	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-75.9	-20	167.3	0	0	0	0	0	112.5	V76 P77 R78 P441 W442	V76-A80 HydrophobicContact CG1-CB 3.62Å; P77-A80 WeakPolarHBondContact O-CB 3.29Å; P77-A80 PolarHBondContact O-N 2.89Å; R78-A80 PolarHBondContact O-N 2.85Å; A80-P441 HydrophobicContact CB-CB 3.8Å; A80-P441 HydrophobicContact CB-CG 3.75Å; A80-W442 HydrophobicContact CB-CD2 4.36Å; A80-W442 HydrophobicContact CB-CZ2 4.23Å
81	L	83.3	Confident	66.1	Low	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.234	C	C	.	.			trans	-113.9	94.3	-168.4	-58.2	171	0	0	0	108.8	V76 R78 H79 H83 I84 L85 W442 C493 L496 P498	V76-L81 HydrophobicContact CG1-CD1 4.13Å; V76-L81 HydrophobicContact CG1-CD2 4.18Å; V76-L81 HydrophobicContact CG1-CG 4.02Å; R78-L81 PolarHBondContact O-N 2.88Å; H79-L81 VanDerWaalsContact C-N 3.28Å; L81-H83 PolarHBondContact O-N 3.19Å; L81-H83 VanDerWaalsContact O-N 3.17Å; L81-I84 HydrophobicContact CB-CB 3.95Å; L81-I84 HydrophobicContact CB-CG1 3.53Å; L81-I84 HydrophobicContact CD1-CG1 3.96Å; L81-I84 HydrophobicContact CG-CG1 4.39Å; L81-I84 WeakPolarHBondContact O-CA 3.42Å; L81-I84 WeakPolarHBondContact O-CB 3.31Å; L81-I84 PolarHBondContact O-N 2.86Å; L81-L85 PolarHBondContact O-N 2.92Å; L81-L85 VanDerWaalsContact O-N 3.15Å; L81-W442 HydrophobicContact CD2-CH2 3.58Å; L81-W442 HydrophobicContact CD2-CZ2 3.71Å; L81-C493 HydrophobicContact CD2-CB 4.47Å; L81-L496 WeakPolarHBondContact CD1-O 3.23Å; L81-L496 HydrophobicContact CD2-CB 4.25Å; L81-L496 WeakPolarHBondContact CD2-O 3.4Å; L81-P498 HydrophobicContact CD1-CB 4.33Å; L81-P498 HydrophobicContact CD1-CG 4.49Å
82	Q	77.3	Confident	66.3	Low	123 Å²	123	49.8 Å²	49.8	58%	0.575	26%	0.26	S	S	*	.	H	α-helix	trans	-57.8	-34.5	-172.1	-67.2	179.5	-8.9	0	0	113.7	I84 L85 A86	Q82-I84 VanDerWaalsContact C-N 3.29Å; Q82-I84 PolarHBondContact O-N 3.12Å; Q82-L85 PolarHBondContact O-N 2.75Å; Q82-A86 PolarHBondContact O-N 3.05Å; Q82-A86 VanDerWaalsContact O-N 3.12Å
83	H	78.2	Confident	66.4	Low	10 Å²	10	56 Å²	56	5%	0.046	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-25.7	176.9	67.7	-87.8	0	0	0	112.9	L81 F258 C493 T494 L496	L81-H83 PolarHBondContact O-N 3.19Å; L81-H83 VanDerWaalsContact O-N 3.17Å; H83-F258 HydrophobicContact CB-CB 3.76Å; H83-F258 HydrophobicContact CB-CD2 3.81Å; H83-F258 HydrophobicContact CB-CG 3.78Å; H83-F258 WeakPolarHBondContact O-CE2 3.23Å; H83-C493 PolarHBondContact CE1-O 3.11Å; H83-T494 HydrophobicContact CB-CG2 4.2Å; H83-L496 PolarHBondContact CE1-O 2.84Å; H83-L496 PolarHBondContact NE2-O 2.87Å
84	I	79.2	Confident	66.4	Low	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-77.7	-39.9	173.8	-56.6	-64.3	0	0	0	110.4	R78 L81 Q82 A86 L87 F141 Y497 P498 W501	R78-I84 HydrophobicContact CB-CG2 4.22Å; L81-I84 HydrophobicContact CB-CB 3.95Å; L81-I84 HydrophobicContact CB-CG1 3.53Å; L81-I84 HydrophobicContact CD1-CG1 3.96Å; L81-I84 HydrophobicContact CG-CG1 4.39Å; L81-I84 WeakPolarHBondContact O-CA 3.42Å; L81-I84 WeakPolarHBondContact O-CB 3.31Å; L81-I84 PolarHBondContact O-N 2.86Å; Q82-I84 VanDerWaalsContact C-N 3.29Å; Q82-I84 PolarHBondContact O-N 3.12Å; I84-A86 PolarHBondContact O-N 3.29Å; I84-L87 WeakPolarHBondContact O-CB 3.49Å; I84-L87 PolarHBondContact O-N 3.05Å; I84-F141 HydrophobicContact CG2-CE1 3.97Å; I84-F141 HydrophobicContact CG2-CE2 4.28Å; I84-F141 HydrophobicContact CG2-CZ 3.39Å; I84-Y497 HydrophobicContact CD1-CD1 3.61Å; I84-Y497 HydrophobicContact CD1-CE1 3.88Å; I84-P498 HydrophobicContact CG2-CG 4.38Å; I84-W501 HydrophobicContact CD1-CD2 4.45Å; I84-W501 HydrophobicContact CD1-CE3 4.11Å; I84-W501 HydrophobicContact CD1-CH2 3.9Å; I84-W501 HydrophobicContact CD1-CZ2 4.25Å; I84-W501 HydrophobicContact CD1-CZ3 3.83Å; I84-W501 HydrophobicContact CG2-CZ3 4.07Å
85	L	71.4	Confident	65.9	Low	71 Å²	71	54.6 Å²	54.6	37%	0.372	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-35.7	171.9	-71.1	177.3	0	0	0	112.1	H79 L81 Q82 L87 Q88	H79-L85 HydrophobicContact CB-CD1 4.3Å; H79-L85 HydrophobicContact CB-CD2 4.04Å; L81-L85 PolarHBondContact O-N 2.92Å; L81-L85 VanDerWaalsContact O-N 3.15Å; Q82-L85 PolarHBondContact O-N 2.75Å; L85-L87 PolarHBondContact O-N 3.4Å; L85-Q88 PolarHBondContact O-N 3.04Å
86	A	66.9	Low	65	Low	17 Å²	17	54.7 Å²	54.7	14%	0.14	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.9	176	0	0	0	0	0	114.5	Q82 I84 M203 F258	Q82-A86 PolarHBondContact O-N 3.05Å; Q82-A86 VanDerWaalsContact O-N 3.12Å; I84-A86 PolarHBondContact O-N 3.29Å; A86-M203 HydrophobicContact CB-CE 3.87Å; A86-F258 HydrophobicContact CB-CD1 4.3Å; A86-F258 HydrophobicContact CB-CE1 3.41Å; A86-F258 VanDerWaalsContact CB-CE1 3.41Å; A86-F258 HydrophobicContact CB-CZ 3.56Å
87	L	66.2	Low	63.9	Low	44 Å²	44	55.1 Å²	55.1	23%	0.23	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-1.2	171.3	-69.8	170	0	0	0	113	I84 L85 C207 F258 W501	I84-L87 WeakPolarHBondContact O-CB 3.49Å; I84-L87 PolarHBondContact O-N 3.05Å; L85-L87 PolarHBondContact O-N 3.4Å; L87-C207 WeakPolarHBondContact CD2-SG 3.47Å; L87-F258 HydrophobicContact CD1-CE2 4.24Å; L87-F258 HydrophobicContact CD2-CE2 3.85Å; L87-F258 HydrophobicContact CD2-CZ 4.23Å; L87-F258 HydrophobicContact CG-CE2 3.78Å; L87-F258 HydrophobicContact CG-CZ 4.24Å; L87-W501 HydrophobicContact CD1-CH2 3.65Å; L87-W501 HydrophobicContact CD1-CZ2 3.93Å
88	Q	61.5	Low	63.4	Low	74 Å²	74	57.4 Å²	57.4	35%	0.346	28%	0.281	S	S	.	.			trans	-94.6	116.9	-176.8	-68.8	-171.2	-48.5	0	0	112.2	L85 F141	L85-Q88 PolarHBondContact O-N 3.04Å; Q88-F141 HydrophobicContact CG-CD1 4.46Å; Q88-F141 HydrophobicContact CG-CE1 3.54Å; Q88-F141 HydrophobicContact CG-CZ 4.13Å
89	S	49.6	Very low	62.7	Low	103 Å²	103	58.3 Å²	58.3	72%	0.72	29%	0.287	S	S	*	.			trans	-62.2	132.2	157.1	52.3	0	0	0	0	109.7	D91	S89-D91 PolarHBondContact O-N 3.17Å
90	D	42.4	Very low	62	Low	97 Å²	97	55 Å²	55	52%	0.519	27%	0.273	S	S	.	.			trans	-81.3	81	-166.7	-165.3	46.2	0	0	0	112.3	R200	D90-R200 IonicContact OD1-CZ 3.25Å; D90-R200 IonicContact OD1-NH1 3.73Å; D90-R200 PolarHBondContact OD1-NH1 3.25Å; D90-R200 IonicContact OD1-NH2 2.79Å; D90-R200 PolarHBondContact OD1-NH2 2.72Å; D90-R200 VanDerWaalsContact OD1-NH2 3.13Å; D90-R200 IonicContact OD2-CZ 2.81Å; D90-R200 IonicContact OD2-NH1 3.93Å; D90-R200 PolarHBondContact OD2-NH1 3.46Å
91	D	43.7	Very low	60.7	Low	57 Å²	57	61.1 Å²	61.1	31%	0.305	30%	0.3	S	S	.	.			trans	-113.3	75.6	-175.5	-137.6	-19.7	0	0	0	113	S89 R93 R147 S148	S89-D91 PolarHBondContact O-N 3.17Å; D91-R93 PolarHBondContact O-N 3.2Å; D91-R147 WeakPolarHBondContact OD2-CA 3.39Å; D91-S148 VanDerWaalsContact CG-N 3.29Å; D91-S148 VanDerWaalsContact OD1-CA 3.25Å; D91-S148 WeakPolarHBondContact OD1-CA 3.32Å; D91-S148 WeakPolarHBondContact OD1-CB 3.43Å; D91-S148 PolarHBondContact OD1-N 3.05Å; D91-S148 PolarHBondContact OD1-OG 3.29Å; D91-S148 PolarHBondContact OD2-N 2.03Å; D91-S148 PolarHBondContact OD2-OG 3.5Å; D91-S148 VanDerWaalsContact OD2-OG 3.07Å
92	R	45.1	Very low	58.8	Low	186 Å²	186	63.1 Å²	63.1	70%	0.702	31%	0.312	S	S	*	.			trans	-80.4	17.2	-175.4	-72.4	-171.5	170.1	-159.3	-2.5	115.3
93	R	46.7	Very low	57.3	Low	150 Å²	150	60.4 Å²	60.4	57%	0.566	30%	0.304	S	S	*	.	S	Bend	trans	-139.3	116	171.2	-70.7	-176.6	174	-179.7	-3.6	108.5	D91 S148 W188	D91-R93 PolarHBondContact O-N 3.2Å; R93-S148 WeakPolarHBondContact O-CA 3.48Å; R93-W188 PolarHBondContact NH2-O 3.06Å
94	S	55.5	Low	56.2	Low	30 Å²	30	65.7 Å²	65.7	21%	0.21	33%	0.327	C	S	.	.			trans	-96.1	103.7	-172.3	-53.6	0	0	0	0	112.5	A112	S94-A112 PolarHBondContact O-N 3.1Å; S94-A112 VanDerWaalsContact O-O 3.06Å
95	A	54.6	Low	55.2	Low	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.1	146.2	0	0	0	0	0	108.4	W109 W110 R147 C152	A95-W109 HydrophobicContact CB-CD2 4.3Å; A95-W109 HydrophobicContact CB-CE3 3.57Å; A95-W109 HydrophobicContact CB-CZ3 4.25Å; A95-W110 WeakPolarHBondContact CA-O 3.45Å; A95-R147 WeakPolarHBondContact CA-O 3.48Å; A95-R147 WeakPolarHBondContact CB-O 3.46Å; A95-R147 PolarHBondContact N-O 2.78Å; A95-R147 PolarHBondContact O-N 3.45Å; A95-C152 VanDerWaalsContact CB-SG 3.58Å
96	L	58.2	Low	54.9	Low	7 Å²	7	68 Å²	68	4%	0.037	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.6	164.2	-75.3	162.8	0	0	0	108.5	W109 W110 A112 I124 V138 I145 L146	L96-W109 CarbonylContact O-C 3.59Å; L96-W109 WeakPolarHBondContact O-CA 3.29Å; L96-W109 WeakPolarHBondContact O-CB 3.3Å; L96-W110 HydrophobicContact CB-CG 4.48Å; L96-W110 PolarHBondContact N-O 3.11Å; L96-W110 PolarHBondContact O-N 3.01Å; L96-A112 HydrophobicContact CD1-CB 3.4Å; L96-A112 HydrophobicContact CG-CB 3.87Å; L96-I124 HydrophobicContact CD1-CD1 3.34Å; L96-I124 HydrophobicContact CD2-CD1 3.77Å; L96-I124 HydrophobicContact CG-CD1 4.17Å; L96-V138 HydrophobicContact CD2-CG1 4.41Å; L96-I145 WeakPolarHBondContact CA-O 3.24Å; L96-I145 HydrophobicContact CD2-CG2 3.84Å; L96-L146 HydrophobicContact CD2-CD2 3.54Å; L96-L146 HydrophobicContact CD2-CG 4.09Å; L96-L146 HydrophobicContact CG-CD2 4.22Å
97	V	58	Low	55.1	Low	9 Å²	9	70.5 Å²	70.5	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.7	176.6	-177	0	0	0	0	108.4	L99 P106 I145 R147 W151	V97-L99 HydrophobicContact CB-CD2 4.36Å; V97-L99 HydrophobicContact CG1-CD2 3.67Å; V97-L99 PolarHBondContact O-N 3.05Å; V97-P106 HydrophobicContact CG1-CB 3.48Å; V97-P106 VanDerWaalsContact CG1-CB 3.48Å; V97-I145 PolarHBondContact N-O 3.02Å; V97-R147 HydrophobicContact CG2-CB 4Å; V97-R147 HydrophobicContact CG2-CG 3.82Å; V97-W151 HydrophobicContact CG2-CZ3 3.91Å
98	Q	65.2	Low	55.4	Low	82 Å²	82	68.8 Å²	68.8	38%	0.383	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	119.8	162.7	-169.1	-176.2	0.3	0	0	108.1	V107 S108 W110	Q98-V107 PolarHBondContact O-N 2.95Å; Q98-S108 WeakPolarHBondContact CB-O 3.4Å; Q98-S108 WeakPolarHBondContact CB-OG 3.26Å; Q98-S108 PolarHBondContact N-O 3.19Å; Q98-S108 PolarHBondContact O-N 2.55Å; Q98-S108 PolarHBondContact OE1-OG 2.75Å; Q98-W110 HydrophobicContact CB-CE3 4.41Å; Q98-W110 HydrophobicContact CB-CH2 3.76Å; Q98-W110 HydrophobicContact CB-CZ3 3.56Å; Q98-W110 HydrophobicContact CG-CH2 3.99Å; Q98-W110 HydrophobicContact CG-CZ3 3.97Å
99	L	59.8	Low	56.1	Low	41 Å²	41	65.7 Å²	65.7	22%	0.215	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	147.5	172.5	-52.9	179.8	0	0	0	110	V97 E105 V144 I145	V97-L99 HydrophobicContact CB-CD2 4.36Å; V97-L99 HydrophobicContact CG1-CD2 3.67Å; V97-L99 PolarHBondContact O-N 3.05Å; L99-E105 CarbonylContact C-O 3.5Å; L99-E105 VanDerWaalsContact CA-O 3.28Å; L99-E105 WeakPolarHBondContact CA-O 3.28Å; L99-V144 HydrophobicContact CD1-CB 3.94Å; L99-V144 HydrophobicContact CD1-CG1 3.51Å; L99-V144 HydrophobicContact CD2-CG1 3.71Å; L99-V144 HydrophobicContact CG-CG1 4.27Å; L99-I145 HydrophobicContact CD1-CG1 4.38Å
100	D	60.6	Low	57.1	Low	44 Å²	44	62.6 Å²	62.6	24%	0.235	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-58.9	139.8	160.9	-171.7	-99.1	0	0	0	109.2	V102 T103 K104 E105 V107	D100-V102 PolarHBondContact O-N 3.25Å; D100-V102 WeakPolarHBondContact OD1-CA 3.25Å; D100-V102 PolarHBondContact OD1-N 2.93Å; D100-T103 VanDerWaalsContact CB-OG1 3.31Å; D100-T103 WeakPolarHBondContact CB-OG1 3.04Å; D100-T103 PolarHBondContact OD1-N 2.91Å; D100-K104 WeakPolarHBondContact O-CA 2.97Å; D100-K104 PolarHBondContact O-N 3.19Å; D100-E105 PolarHBondContact N-O 3.25Å; D100-V107 HydrophobicContact CB-CG2 3.58Å
101	E	50.8	Low	58.3	Low	138 Å²	138	58.7 Å²	58.7	65%	0.645	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.9	-177.6	-70.7	-169.9	177.1	0	0	112.7	K104	E101-K104 PolarHBondContact O-NZ 3.06Å
102	V	43.5	Very low	59.5	Low	42 Å²	42	56.5 Å²	56.5	26%	0.255	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-52.2	-178.6	164.5	0	0	0	0	113.1	F29 D100 K104	F29-V102 HydrophobicContact CD1-CG2 3.55Å; F29-V102 HydrophobicContact CD2-CB 4.04Å; F29-V102 HydrophobicContact CD2-CG1 4.2Å; F29-V102 HydrophobicContact CD2-CG2 3.79Å; F29-V102 HydrophobicContact CE1-CB 4.11Å; F29-V102 HydrophobicContact CE1-CG2 3.41Å; F29-V102 VanDerWaalsContact CE1-CG2 3.41Å; F29-V102 HydrophobicContact CE2-CB 3.56Å; F29-V102 HydrophobicContact CE2-CG1 4.06Å; F29-V102 HydrophobicContact CE2-CG2 3.66Å; F29-V102 HydrophobicContact CG-CB 4.49Å; F29-V102 HydrophobicContact CG-CG2 3.74Å; F29-V102 HydrophobicContact CZ-CB 3.6Å; F29-V102 HydrophobicContact CZ-CG2 3.47Å; F29-V102 VanDerWaalsContact CZ-CG2 3.47Å; D100-V102 PolarHBondContact O-N 3.25Å; D100-V102 WeakPolarHBondContact OD1-CA 3.25Å; D100-V102 PolarHBondContact OD1-N 2.93Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 2.87Å
103	T	45.7	Very low	60.3	Low	67 Å²	67	51.2 Å²	51.2	41%	0.411	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.3	-178.5	74.4	0	0	0	0	112.9	D100 E105	D100-T103 VanDerWaalsContact CB-OG1 3.31Å; D100-T103 WeakPolarHBondContact CB-OG1 3.04Å; D100-T103 PolarHBondContact OD1-N 2.91Å; T103-E105 WeakPolarHBondContact CB-OE2 3.28Å; T103-E105 PolarHBondContact O-N 3.32Å; T103-E105 WeakPolarHBondContact OG1-CB 3.21Å; T103-E105 WeakPolarHBondContact OG1-CG 3.29Å; T103-E105 PolarHBondContact OG1-N 2.82Å; T103-E105 PolarHBondContact OG1-OE2 2.76Å
104	K	54.7	Low	61.1	Low	121 Å²	121	46.9 Å²	46.9	53%	0.526	25%	0.248	S	C	.	.			trans	61.4	14.1	-171.6	-51.4	-51.1	-172.3	-167.9	0	114.4	D100 E101 V102	D100-K104 WeakPolarHBondContact O-CA 2.97Å; D100-K104 PolarHBondContact O-N 3.19Å; E101-K104 PolarHBondContact O-NZ 3.06Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 2.87Å
105	E	58.6	Low	61.4	Low	64 Å²	64	49.7 Å²	49.7	30%	0.299	26%	0.261	S	S	.	.			trans	-77.2	155.9	173.8	-65.8	164.9	139.2	0	0	111.5	L99 D100 T103 V107 Y1388	L99-E105 CarbonylContact C-O 3.5Å; L99-E105 VanDerWaalsContact CA-O 3.28Å; L99-E105 WeakPolarHBondContact CA-O 3.28Å; D100-E105 PolarHBondContact N-O 3.25Å; T103-E105 WeakPolarHBondContact CB-OE2 3.28Å; T103-E105 PolarHBondContact O-N 3.32Å; T103-E105 WeakPolarHBondContact OG1-CB 3.21Å; T103-E105 WeakPolarHBondContact OG1-CG 3.29Å; T103-E105 PolarHBondContact OG1-N 2.82Å; T103-E105 PolarHBondContact OG1-OE2 2.76Å; E105-V107 PolarHBondContact O-N 2.95Å; E105-Y1388 WeakPolarHBondContact CG-OH 3.42Å; E105-Y1388 PolarHBondContact OE1-OH 2.81Å
106	P	65.5	Low	61.7	Low	56 Å²	56	55.1 Å²	55.1	36%	0.364	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	107.4	173.5	28.1	-36	0	0	0	112.8	V97 I157	V97-P106 HydrophobicContact CG1-CB 3.48Å; V97-P106 VanDerWaalsContact CG1-CB 3.48Å; P106-I157 HydrophobicContact CB-CD1 3.4Å; P106-I157 VanDerWaalsContact CB-CD1 3.4Å; P106-I157 HydrophobicContact CB-CG1 3.83Å; P106-I157 HydrophobicContact CB-CG2 4.22Å; P106-I157 HydrophobicContact CG-CD1 3.82Å; P106-I157 HydrophobicContact CG-CG1 4.09Å
107	V	72	Confident	61.9	Low	69 Å²	69	58.2 Å²	58.2	42%	0.418	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-40.5	176.3	171.5	0	0	0	0	112.3	Q98 D100 E105 P158	Q98-V107 PolarHBondContact O-N 2.95Å; D100-V107 HydrophobicContact CB-CG2 3.58Å; E105-V107 PolarHBondContact O-N 2.95Å; V107-P158 VanDerWaalsContact O-CG 3.28Å; V107-P158 WeakPolarHBondContact O-CG 3.37Å
108	S	72.7	Confident	62	Low	8 Å²	8	59.2 Å²	59.2	6%	0.056	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	173.2	175.5	83	0	0	0	0	110.6	Q98 I157 P158 G160	Q98-S108 WeakPolarHBondContact CB-O 3.4Å; Q98-S108 WeakPolarHBondContact CB-OG 3.26Å; Q98-S108 PolarHBondContact N-O 3.19Å; Q98-S108 PolarHBondContact O-N 2.55Å; Q98-S108 PolarHBondContact OE1-OG 2.75Å; S108-I157 VanDerWaalsContact C-CG2 3.5Å; S108-P158 CarbonylContact C-O 3.6Å; S108-P158 VanDerWaalsContact CA-O 3.25Å; S108-P158 WeakPolarHBondContact CA-O 3.34Å; S108-P158 WeakPolarHBondContact CB-O 3.48Å; S108-G160 WeakPolarHBondContact OG-CA 3.48Å
109	W	75	Confident	62.1	Low	9 Å²	9	55.3 Å²	55.3	3%	0.034	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157.9	169.5	70	-82	0	0	0	111.7	A95 L96 P111 Q149 C152 I157 P158 L159 G160	A95-W109 HydrophobicContact CB-CD2 4.3Å; A95-W109 HydrophobicContact CB-CE3 3.57Å; A95-W109 HydrophobicContact CB-CZ3 4.25Å; L96-W109 CarbonylContact O-C 3.59Å; L96-W109 WeakPolarHBondContact O-CA 3.29Å; L96-W109 WeakPolarHBondContact O-CB 3.3Å; W109-P111 HydrophobicContact CZ3-CB 4.22Å; W109-P111 HydrophobicContact CZ3-CG 4.35Å; W109-Q149 HydrophobicContact CH2-CG 3.77Å; W109-Q149 HydrophobicContact CZ3-CG 3.96Å; W109-C152 HydrophobicContact CB-CB 4.26Å; W109-C152 HydrophobicContact CD2-CB 3.8Å; W109-C152 HydrophobicContact CG-CB 3.62Å; W109-I157 HydrophobicContact CB-CG2 4.36Å; W109-I157 PolarHBondContact NE1-O 3.18Å; W109-P158 VanDerWaalsContact CD1-O 3.25Å; W109-P158 PolarHBondContact N-O 3.3Å; W109-L159 HydrophobicContact CD2-CD1 4.3Å; W109-L159 HydrophobicContact CE3-CD1 4.26Å; W109-L159 HydrophobicContact CH2-CD1 4Å; W109-L159 HydrophobicContact CZ2-CB 4.23Å; W109-L159 HydrophobicContact CZ2-CD1 4.05Å; W109-L159 HydrophobicContact CZ3-CD1 4.13Å; W109-L159 CarbonylContact O-C 3.53Å; W109-L159 WeakPolarHBondContact O-CA 3.47Å; W109-L159 WeakPolarHBondContact O-CD1 3.23Å; W109-G160 PolarHBondContact O-N 2.72Å
110	W	70.2	Confident	62.3	Low	38 Å²	38	53.4 Å²	53.4	14%	0.144	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.5	169	51	78.8	0	0	0	111.6	A95 L96 Q98 I163 F168	A95-W110 WeakPolarHBondContact CA-O 3.45Å; L96-W110 HydrophobicContact CB-CG 4.48Å; L96-W110 PolarHBondContact N-O 3.11Å; L96-W110 PolarHBondContact O-N 3.01Å; Q98-W110 HydrophobicContact CB-CE3 4.41Å; Q98-W110 HydrophobicContact CB-CH2 3.76Å; Q98-W110 HydrophobicContact CB-CZ3 3.56Å; Q98-W110 HydrophobicContact CG-CH2 3.99Å; Q98-W110 HydrophobicContact CG-CZ3 3.97Å; W110-I163 HydrophobicContact CB-CD1 4Å; W110-I163 VanDerWaalsContact CD1-CD1 3.49Å; W110-I163 HydrophobicContact CD2-CD1 3.72Å; W110-I163 HydrophobicContact CD2-CG1 3.67Å; W110-I163 HydrophobicContact CE3-CD1 4.41Å; W110-I163 HydrophobicContact CE3-CG1 3.88Å; W110-I163 HydrophobicContact CG-CD1 3.47Å; W110-I163 VanDerWaalsContact CG-CD1 3.47Å; W110-I163 HydrophobicContact CG-CG1 3.95Å; W110-I163 HydrophobicContact CZ2-CG1 4.48Å; W110-I163 HydrophobicContact CZ3-CG1 4.34Å; W110-F168 HydrophobicContact CB-CE2 3.98Å; W110-F168 HydrophobicContact CB-CZ 4Å
111	P	68.6	Low	62.5	Low	14 Å²	14	52.8 Å²	52.8	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142	176.1	27.3	-32.4	0	0	0	111.2	W109 Y127 L176	W109-P111 HydrophobicContact CZ3-CB 4.22Å; W109-P111 HydrophobicContact CZ3-CG 4.35Å; P111-Y127 HydrophobicContact CB-CD1 4.37Å; P111-Y127 HydrophobicContact CB-CG 4.11Å; P111-Y127 HydrophobicContact CG-CD1 4.16Å; P111-Y127 HydrophobicContact CG-CG 4.27Å; P111-Y127 VanDerWaalsContact O-CB 3.26Å; P111-Y127 WeakPolarHBondContact O-CB 3.23Å; P111-Y127 PolarHBondContact O-N 2.85Å; P111-L176 HydrophobicContact CG-CD1 3.99Å; P111-L176 HydrophobicContact CG-CD2 4.17Å
112	A	67.7	Low	63.1	Low	11 Å²	11	46.4 Å²	46.4	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.5	177.9	0	0	0	0	0	113	S94 L96 L125	S94-A112 PolarHBondContact O-N 3.1Å; S94-A112 VanDerWaalsContact O-O 3.06Å; L96-A112 HydrophobicContact CD1-CB 3.4Å; L96-A112 HydrophobicContact CG-CB 3.87Å; A112-L125 CarbonylContact C-O 3.58Å; A112-L125 WeakPolarHBondContact CA-O 3.32Å
113	I	63.5	Low	64.1	Low	76 Å²	76	47 Å²	47	39%	0.39	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.3	178.3	-58.9	168.9	0	0	0	107.6	L115 I124 L125 Y127	I113-L115 HydrophobicContact CG2-CD2 4.37Å; I113-L115 PolarHBondContact O-N 2.67Å; I113-I124 CarbonylContact O-C 3.51Å; I113-I124 WeakPolarHBondContact O-CA 3.33Å; I113-L125 PolarHBondContact N-O 3.5Å; I113-L125 PolarHBondContact O-N 3Å; I113-Y127 HydrophobicContact CD1-CD2 3.9Å; I113-Y127 HydrophobicContact CD1-CE2 4.48Å; I113-Y127 HydrophobicContact CG1-CD2 3.87Å
114	V	63.8	Low	64.9	Low	59 Å²	59	43.9 Å²	43.9	36%	0.358	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	107	169	178.3	0	0	0	0	108.3	A122 L123 I124	V114-A122 HydrophobicContact CG1-CB 4.22Å; V114-L123 CarbonylContact C-O 3.58Å; V114-I124 HydrophobicContact CG2-CG2 3.97Å
115	L	61.6	Low	65.3	Low	89 Å²	89	39.7 Å²	39.7	47%	0.466	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-40.7	177.6	-63	-175.6	0	0	0	111.9	I113 L123 L125 V135	I113-L115 HydrophobicContact CG2-CD2 4.37Å; I113-L115 PolarHBondContact O-N 2.67Å; L115-L123 HydrophobicContact CB-CB 4.48Å; L115-L123 PolarHBondContact N-O 3.34Å; L115-L125 HydrophobicContact CD1-CB 3.96Å; L115-L125 HydrophobicContact CD2-CB 3.95Å; L115-L125 HydrophobicContact CD2-CD2 4.17Å; L115-L125 HydrophobicContact CG-CB 3.89Å; L115-V135 HydrophobicContact CD1-CG1 4.08Å; L115-V135 HydrophobicContact CD1-CG2 3.77Å
116	R	60.6	Low	65.8	Low	113 Å²	113	36.8 Å²	36.8	43%	0.426	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	136.3	-179.1	170.6	174.5	173.8	169.8	-4.1	108.8	D118 L123	R116-D118 HydrophobicContact CG-CB 4.48Å; R116-D118 IonicContact CZ-OD2 2.98Å; R116-D118 VanDerWaalsContact CZ-OD2 3.23Å; R116-D118 IonicContact NE-OD2 2.66Å; R116-D118 PolarHBondContact NE-OD2 3.19Å; R116-D118 VanDerWaalsContact NE-OD2 3.08Å; R116-D118 IonicContact NH2-OD2 3.23Å; R116-D118 PolarHBondContact NH2-OD2 2.67Å; R116-L123 HydrophobicContact CB-CB 4.29Å; R116-L123 HydrophobicContact CB-CD1 4.11Å; R116-L123 HydrophobicContact CG-CD1 4.3Å; R116-L123 PolarHBondContact N-O 3.2Å; R116-L123 PolarHBondContact O-N 3.28Å
117	S	60.9	Low	65.5	Low	73 Å²	73	37.7 Å²	37.7	51%	0.51	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.9	158.1	41.8	0	0	0	0	108.4
118	D	61.5	Low	64.7	Low	29 Å²	29	36.8 Å²	36.8	16%	0.155	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	123.1	171.5	-150.5	-32.9	0	0	0	109.5	S75 R116 A120 N121	S75-D118 WeakPolarHBondContact CB-OD1 3.38Å; S75-D118 PolarHBondContact N-OD1 2.79Å; R116-D118 HydrophobicContact CG-CB 4.48Å; R116-D118 IonicContact CZ-OD2 2.98Å; R116-D118 VanDerWaalsContact CZ-OD2 3.23Å; R116-D118 IonicContact NE-OD2 2.66Å; R116-D118 PolarHBondContact NE-OD2 3.19Å; R116-D118 VanDerWaalsContact NE-OD2 3.08Å; R116-D118 IonicContact NH2-OD2 3.23Å; R116-D118 PolarHBondContact NH2-OD2 2.67Å; D118-A120 PolarHBondContact O-N 3.04Å; D118-N121 PolarHBondContact N-O 2.72Å; D118-N121 CarbonylContact O-C 3.56Å; D118-N121 WeakPolarHBondContact O-CA 3.37Å; D118-N121 WeakPolarHBondContact O-CB 3.42Å; D118-N121 PolarHBondContact O-N 3.17Å; D118-N121 VanDerWaalsContact O-O 3.1Å
119	G	66.8	Low	63.7	Low	1 Å²	1	36.9 Å²	36.9	1%	0.01	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-136.6	-168.4	0	0	0	0	0	112.1	S75 R78 C499	S75-G119 VanDerWaalsContact CB-N 3.26Å; S75-G119 VanDerWaalsContact OG-CA 3.29Å; S75-G119 WeakPolarHBondContact OG-CA 3.32Å; R78-G119 WeakPolarHBondContact CD-O 3.48Å; R78-G119 WeakPolarHBondContact CG-O 3.28Å; R78-G119 PolarHBondContact NE-O 3.09Å; G119-C499 CarbonylContact C-O 3.59Å; G119-C499 VanDerWaalsContact CA-O 3.27Å; G119-C499 WeakPolarHBondContact CA-O 3.44Å
120	A	64.6	Low	62.4	Low	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.4	172.6	0	0	0	0	0	113.2	R78 D118 G140 F141 P498 C499 G500	R78-A120 PolarHBondContact NH2-O 2.9Å; D118-A120 PolarHBondContact O-N 3.04Å; A120-G140 WeakPolarHBondContact O-CA 3.24Å; A120-G140 PolarHBondContact O-N 3.27Å; A120-F141 HydrophobicContact CB-CD2 3.93Å; A120-F141 HydrophobicContact CB-CE2 4.18Å; A120-P498 HydrophobicContact CB-CG 4.43Å; A120-C499 PolarHBondContact N-O 2.99Å; A120-G500 VanDerWaalsContact CB-C 3.46Å
121	N	64.8	Low	61.3	Low	31 Å²	31	46.8 Å²	46.8	17%	0.166	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	163.2	-176.3	-63.6	-2.7	0	0	0	112.2	R78 D118 V137 V138	R78-N121 VanDerWaalsContact NH2-C 3.27Å; R78-N121 PolarHBondContact NH2-O 3.02Å; D118-N121 PolarHBondContact N-O 2.72Å; D118-N121 CarbonylContact O-C 3.56Å; D118-N121 WeakPolarHBondContact O-CA 3.37Å; D118-N121 WeakPolarHBondContact O-CB 3.42Å; D118-N121 PolarHBondContact O-N 3.17Å; D118-N121 VanDerWaalsContact O-O 3.1Å; N121-V137 HydrophobicContact CB-CG1 3.82Å; N121-V138 CarbonylContact C-O 3.28Å; N121-V138 VanDerWaalsContact CA-O 3.31Å; N121-V138 WeakPolarHBondContact CA-O 3.22Å
122	A	62.8	Low	60.2	Low	4 Å²	4	50.9 Å²	50.9	3%	0.033	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.4	172.7	0	0	0	0	0	109.8	V114 I124 V138	V114-A122 HydrophobicContact CG1-CB 4.22Å; A122-I124 HydrophobicContact CB-CG2 4.48Å; A122-V138 HydrophobicContact CB-CG2 4.23Å; A122-V138 PolarHBondContact N-O 2.88Å; A122-V138 PolarHBondContact O-N 2.83Å
123	L	63.9	Low	59.1	Low	55 Å²	55	60 Å²	60	29%	0.288	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.1	165.1	-77.3	155	0	0	0	108.2	V114 L115 R116 V135 F136 V137	V114-L123 CarbonylContact C-O 3.58Å; L115-L123 HydrophobicContact CB-CB 4.48Å; L115-L123 PolarHBondContact N-O 3.34Å; R116-L123 HydrophobicContact CB-CB 4.29Å; R116-L123 HydrophobicContact CB-CD1 4.11Å; R116-L123 HydrophobicContact CG-CD1 4.3Å; R116-L123 PolarHBondContact N-O 3.2Å; R116-L123 PolarHBondContact O-N 3.28Å; L123-V135 HydrophobicContact CB-CG1 4.5Å; L123-V135 HydrophobicContact CD2-CG1 3.71Å; L123-F136 WeakPolarHBondContact CA-O 3.44Å; L123-V137 HydrophobicContact CD2-CG2 3.72Å; L123-V137 HydrophobicContact CG-CG2 4.43Å
124	I	63.5	Low	58.7	Low	2 Å²	2	57.5 Å²	57.5	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146	-171.7	44.3	156.4	0	0	0	110.8	L96 I113 V114 A122 V135 F136 V138	L96-I124 HydrophobicContact CD1-CD1 3.34Å; L96-I124 HydrophobicContact CD2-CD1 3.77Å; L96-I124 HydrophobicContact CG-CD1 4.17Å; I113-I124 CarbonylContact O-C 3.51Å; I113-I124 WeakPolarHBondContact O-CA 3.33Å; V114-I124 HydrophobicContact CG2-CG2 3.97Å; A122-I124 HydrophobicContact CB-CG2 4.48Å; I124-V135 WeakPolarHBondContact O-CA 3.46Å; I124-F136 HydrophobicContact CD1-CB 3.75Å; I124-F136 HydrophobicContact CG1-CB 3.84Å; I124-F136 WeakPolarHBondContact CG1-O 3.3Å; I124-F136 PolarHBondContact N-O 2.99Å; I124-F136 PolarHBondContact O-N 2.99Å; I124-V138 HydrophobicContact CD1-CB 4.34Å; I124-V138 HydrophobicContact CD1-CG1 3.63Å; I124-V138 HydrophobicContact CD1-CG2 3.79Å; I124-V138 HydrophobicContact CG1-CG1 4.47Å; I124-V138 HydrophobicContact CG1-CG2 4.03Å; I124-V138 HydrophobicContact CG2-CG2 4.14Å
125	L	63.5	Low	58.4	Low	32 Å²	32	57.1 Å²	57.1	17%	0.168	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.4	172.5	-176.5	69.3	0	0	0	108.1	A112 I113 L115 Y127 V135	A112-L125 CarbonylContact C-O 3.58Å; A112-L125 WeakPolarHBondContact CA-O 3.32Å; I113-L125 PolarHBondContact N-O 3.5Å; I113-L125 PolarHBondContact O-N 3Å; L115-L125 HydrophobicContact CD1-CB 3.96Å; L115-L125 HydrophobicContact CD2-CB 3.95Å; L115-L125 HydrophobicContact CD2-CD2 4.17Å; L115-L125 HydrophobicContact CG-CB 3.89Å; L125-Y127 PolarHBondContact O-N 3.05Å; L125-V135 HydrophobicContact CD1-CG2 3.97Å
126	P	67.3	Low	58.3	Low	3 Å²	3	57.3 Å²	57.3	2%	0.019	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	136.8	169.6	-26.3	34.9	0	0	0	110.7	L128 S129 S134 F136 I163	P126-L128 PolarHBondContact O-N 3.1Å; P126-S129 PolarHBondContact O-N 2.85Å; P126-S134 WeakPolarHBondContact CD-O 3.09Å; P126-F136 HydrophobicContact CG-CD2 4.46Å; P126-F136 HydrophobicContact CG-CE2 3.89Å; P126-I163 HydrophobicContact CB-CD1 3.62Å; P126-I163 HydrophobicContact CG-CD1 3.83Å; P126-I163 HydrophobicContact CG-CG2 4.44Å
127	Y	61.2	Low	58.2	Low	76 Å²	76	54.2 Å²	54.2	30%	0.298	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.3	-167.6	177.9	-108.9	0	0	0	115.1	P111 I113 L125 L176 W188	P111-Y127 HydrophobicContact CB-CD1 4.37Å; P111-Y127 HydrophobicContact CB-CG 4.11Å; P111-Y127 HydrophobicContact CG-CD1 4.16Å; P111-Y127 HydrophobicContact CG-CG 4.27Å; P111-Y127 VanDerWaalsContact O-CB 3.26Å; P111-Y127 WeakPolarHBondContact O-CB 3.23Å; P111-Y127 PolarHBondContact O-N 2.85Å; I113-Y127 HydrophobicContact CD1-CD2 3.9Å; I113-Y127 HydrophobicContact CD1-CE2 4.48Å; I113-Y127 HydrophobicContact CG1-CD2 3.87Å; L125-Y127 PolarHBondContact O-N 3.05Å; Y127-L176 HydrophobicContact CD1-CD2 4.19Å; Y127-L176 HydrophobicContact CE1-CD2 4.08Å; Y127-W188 AromaticContact CE2-CH2 3.93Å; Y127-W188 HydrophobicContact CE2-CH2 3.93Å; Y127-W188 VanDerWaalsContact OH-CH2 3.27Å; Y127-W188 WeakPolarHBondContact OH-CH2 3.11Å; Y127-W188 WeakPolarHBondContact OH-CZ2 3.28Å
128	L	53.5	Low	58.3	Low	49 Å²	49	51.7 Å²	51.7	26%	0.257	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	9.7	-177.7	-68.3	161.1	0	0	0	113.7	P126 F166 F168 L172 L176	P126-L128 PolarHBondContact O-N 3.1Å; L128-F166 HydrophobicContact CB-CE1 4.37Å; L128-F166 HydrophobicContact CB-CZ 4.16Å; L128-F166 WeakPolarHBondContact O-CZ 3.06Å; L128-F168 HydrophobicContact CB-CE1 4.18Å; L128-F168 HydrophobicContact CD1-CD1 3.78Å; L128-F168 HydrophobicContact CD1-CE1 3.82Å; L128-F168 HydrophobicContact CG-CE1 4.49Å; L128-L172 HydrophobicContact CD1-CB 4.09Å; L128-L172 HydrophobicContact CD1-CD1 4.18Å; L128-L172 HydrophobicContact CD1-CD2 3.98Å; L128-L172 HydrophobicContact CD1-CG 4.31Å; L128-L172 HydrophobicContact CD2-CD2 3.89Å; L128-L176 HydrophobicContact CD1-CD1 4.28Å
129	S	52.5	Low	58.3	Low	11 Å²	11	51.7 Å²	51.7	8%	0.077	27%	0.267	C	S	.	.			trans	-88.1	122.2	174.5	-163.9	0	0	0	0	111.7	P126 E131 S134	P126-S129 PolarHBondContact O-N 2.85Å; S129-E131 PolarHBondContact OG-N 3.14Å; S129-S134 WeakPolarHBondContact OG-CB 3.13Å; S129-S134 PolarHBondContact OG-OG 3.21Å
130	T	47.7	Very low	57.7	Low	142 Å²	142	52.6 Å²	52.6	87%	0.871	28%	0.277	S	S	*	.			trans	-87.4	-7.3	170.3	49.2	0	0	0	0	113
131	E	48.1	Very low	57.4	Low	113 Å²	113	54.8 Å²	54.8	53%	0.528	29%	0.286	S	S	.	.			trans	-87.4	132.9	-175.8	-73.4	-160.9	-162.8	0	0	113	S129 Y133 S134	S129-E131 PolarHBondContact OG-N 3.14Å; E131-Y133 PolarHBondContact O-N 3.08Å; E131-S134 PolarHBondContact O-N 3.49Å
132	P	43.6	Very low	56.8	Low	99 Å²	99	54.8 Å²	54.8	64%	0.643	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-68.2	-15.7	176.2	29.9	-35.9	0	0	0	113.2	S134	P132-S134 VanDerWaalsContact C-N 3.29Å
133	Y	46.2	Very low	55.9	Low	203 Å²	203	58 Å²	58	80%	0.796	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-79.6	-9.5	176.5	-55.7	-67.5	0	0	0	113.4	E131 V135	E131-Y133 PolarHBondContact O-N 3.08Å; Y133-V135 VanDerWaalsContact C-N 3.3Å
134	S	53.7	Low	55.2	Low	23 Å²	23	58.5 Å²	58.5	16%	0.161	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-90.7	14.3	176.4	-55.7	0	0	0	0	113.5	P126 S129 E131 P132 F136	P126-S134 WeakPolarHBondContact CD-O 3.09Å; S129-S134 WeakPolarHBondContact OG-CB 3.13Å; S129-S134 PolarHBondContact OG-OG 3.21Å; E131-S134 PolarHBondContact O-N 3.49Å; P132-S134 VanDerWaalsContact C-N 3.29Å; S134-F136 WeakPolarHBondContact O-CD2 3.23Å; S134-F136 VanDerWaalsContact O-CE2 3.22Å; S134-F136 WeakPolarHBondContact O-CE2 3.43Å
135	V	57.3	Low	54.8	Low	52 Å²	52	60.7 Å²	60.7	32%	0.315	33%	0.327	S	S	.	.			trans	-85	115.7	175.9	-180	0	0	0	0	109.1	L115 L123 I124 L125 Y133	L115-V135 HydrophobicContact CD1-CG1 4.08Å; L115-V135 HydrophobicContact CD1-CG2 3.77Å; L123-V135 HydrophobicContact CB-CG1 4.5Å; L123-V135 HydrophobicContact CD2-CG1 3.71Å; I124-V135 WeakPolarHBondContact O-CA 3.46Å; L125-V135 HydrophobicContact CD1-CG2 3.97Å; Y133-V135 VanDerWaalsContact C-N 3.3Å
136	F	59.5	Low	54.4	Low	93 Å²	93	60.6 Å²	60.6	41%	0.408	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	157.9	176	-52.4	-94.6	0	0	0	110.4	L123 I124 P126 S134 I163	L123-F136 WeakPolarHBondContact CA-O 3.44Å; I124-F136 HydrophobicContact CD1-CB 3.75Å; I124-F136 HydrophobicContact CG1-CB 3.84Å; I124-F136 WeakPolarHBondContact CG1-O 3.3Å; I124-F136 PolarHBondContact N-O 2.99Å; I124-F136 PolarHBondContact O-N 2.99Å; P126-F136 HydrophobicContact CG-CD2 4.46Å; P126-F136 HydrophobicContact CG-CE2 3.89Å; S134-F136 WeakPolarHBondContact O-CD2 3.23Å; S134-F136 VanDerWaalsContact O-CE2 3.22Å; S134-F136 WeakPolarHBondContact O-CE2 3.43Å; F136-I163 HydrophobicContact CE2-CG2 4.29Å; F136-I163 HydrophobicContact CZ-CG2 4.07Å
137	V	60	Low	54.2	Low	48 Å²	48	63.9 Å²	63.9	29%	0.291	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.4	163	-175.5	0	0	0	0	107.5	E65 N121 L123	E65-V137 HydrophobicContact CG-CB 4.31Å; E65-V137 HydrophobicContact CG-CG1 4.33Å; E65-V137 HydrophobicContact CG-CG2 4.36Å; N121-V137 HydrophobicContact CB-CG1 3.82Å; L123-V137 HydrophobicContact CD2-CG2 3.72Å; L123-V137 HydrophobicContact CG-CG2 4.43Å
138	V	61.4	Low	54.2	Low	19 Å²	19	61.4 Å²	61.4	12%	0.115	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.1	169.2	-71.8	0	0	0	0	110	L96 N121 A122 I124 G140 I145 L146	L96-V138 HydrophobicContact CD2-CG1 4.41Å; N121-V138 CarbonylContact C-O 3.28Å; N121-V138 VanDerWaalsContact CA-O 3.31Å; N121-V138 WeakPolarHBondContact CA-O 3.22Å; A122-V138 HydrophobicContact CB-CG2 4.23Å; A122-V138 PolarHBondContact N-O 2.88Å; A122-V138 PolarHBondContact O-N 2.83Å; I124-V138 HydrophobicContact CD1-CB 4.34Å; I124-V138 HydrophobicContact CD1-CG1 3.63Å; I124-V138 HydrophobicContact CD1-CG2 3.79Å; I124-V138 HydrophobicContact CG1-CG1 4.47Å; I124-V138 HydrophobicContact CG1-CG2 4.03Å; I124-V138 HydrophobicContact CG2-CG2 4.14Å; V138-G140 PolarHBondContact O-N 2.93Å; V138-I145 HydrophobicContact CB-CG2 4.19Å; V138-I145 HydrophobicContact CG1-CG2 3.83Å; V138-L146 HydrophobicContact CG2-CD1 3.88Å; V138-L146 HydrophobicContact CG2-CG 4.34Å
139	D	62.2	Low	54.5	Low	30 Å²	30	61.6 Å²	61.6	16%	0.16	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	125.5	160.7	171.2	26.5	0	0	0	108.7	F141 S142 A504	D139-F141 PolarHBondContact OD1-N 3.35Å; D139-S142 WeakPolarHBondContact OD2-CA 2.99Å; D139-S142 WeakPolarHBondContact OD2-CB 3.16Å; D139-S142 PolarHBondContact OD2-N 3.34Å; D139-A504 WeakPolarHBondContact OD1-CB 3.38Å; D139-A504 WeakPolarHBondContact OD2-CB 3.47Å
140	G	55.4	Low	54.8	Low	20 Å²	20	64.5 Å²	64.5	21%	0.206	36%	0.357	C	S	.	.	S	Bend	trans	-93.7	13.4	178.1	0	0	0	0	0	114.2	R78 A120 V138	R78-G140 PolarHBondContact NH1-O 3.36Å; A120-G140 WeakPolarHBondContact O-CA 3.24Å; A120-G140 PolarHBondContact O-N 3.27Å; V138-G140 PolarHBondContact O-N 2.93Å
141	F	56.5	Low	55.5	Low	46 Å²	46	60.8 Å²	60.8	20%	0.202	33%	0.327	C	S	.	.	S	Bend	trans	-112.4	-21.6	168.5	-74.7	-81.1	0	0	0	113	R78 I84 Q88 A120 D139 S143 W501	R78-F141 HydrophobicContact CG-CE2 4.18Å; R78-F141 HydrophobicContact CG-CZ 4.25Å; I84-F141 HydrophobicContact CG2-CE1 3.97Å; I84-F141 HydrophobicContact CG2-CE2 4.28Å; I84-F141 HydrophobicContact CG2-CZ 3.39Å; Q88-F141 HydrophobicContact CG-CD1 4.46Å; Q88-F141 HydrophobicContact CG-CE1 3.54Å; Q88-F141 HydrophobicContact CG-CZ 4.13Å; A120-F141 HydrophobicContact CB-CD2 3.93Å; A120-F141 HydrophobicContact CB-CE2 4.18Å; D139-F141 PolarHBondContact OD1-N 3.35Å; F141-S143 PolarHBondContact O-N 2.78Å; F141-W501 HydrophobicContact CD1-CH2 4.3Å; F141-W501 AromaticContact CD1-CZ3 3.79Å; F141-W501 HydrophobicContact CD1-CZ3 3.79Å; F141-W501 HydrophobicContact CD2-CE3 4.07Å; F141-W501 AromaticContact CD2-CZ3 3.8Å; F141-W501 HydrophobicContact CD2-CZ3 3.8Å; F141-W501 HydrophobicContact CE1-CH2 4.31Å; F141-W501 AromaticContact CE1-CZ3 3.69Å; F141-W501 HydrophobicContact CE1-CZ3 3.69Å; F141-W501 AromaticContact CE2-CE3 3.99Å; F141-W501 HydrophobicContact CE2-CE3 3.99Å; F141-W501 AromaticContact CE2-CZ3 3.68Å; F141-W501 HydrophobicContact CE2-CZ3 3.68Å; F141-W501 HydrophobicContact CG-CE3 4.47Å; F141-W501 AromaticContact CG-CZ3 3.86Å; F141-W501 HydrophobicContact CG-CZ3 3.86Å; F141-W501 HydrophobicContact CZ-CE3 4.37Å; F141-W501 AromaticContact CZ-CZ3 3.65Å; F141-W501 HydrophobicContact CZ-CZ3 3.65Å
142	S	52.6	Low	56.3	Low	30 Å²	30	55.4 Å²	55.4	21%	0.21	30%	0.302	C	S	.	.			trans	-56.9	100.6	169.7	179.5	0	0	0	0	111.5	D139 V144 I145	D139-S142 WeakPolarHBondContact OD2-CA 2.99Å; D139-S142 WeakPolarHBondContact OD2-CB 3.16Å; D139-S142 PolarHBondContact OD2-N 3.34Å; S142-V144 PolarHBondContact O-N 3.05Å; S142-I145 PolarHBondContact O-N 2.8Å
143	S	44.9	Very low	57.4	Low	71 Å²	71	55.9 Å²	55.9	50%	0.497	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-3.4	173.6	59.7	0	0	0	0	113.4	F141 R147	F141-S143 PolarHBondContact O-N 2.78Å; S143-R147 PolarHBondContact O-NE 2.82Å; S143-R147 PolarHBondContact O-NH2 3.12Å
144	V	48.7	Very low	58.4	Low	66 Å²	66	54.5 Å²	54.5	40%	0.4	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-30	178.5	-146.2	0	0	0	0	111	L99 S142	L99-V144 HydrophobicContact CD1-CB 3.94Å; L99-V144 HydrophobicContact CD1-CG1 3.51Å; L99-V144 HydrophobicContact CD2-CG1 3.71Å; L99-V144 HydrophobicContact CG-CG1 4.27Å; S142-V144 PolarHBondContact O-N 3.05Å
145	I	55.9	Low	59	Low	49 Å²	49	55.9 Å²	55.9	25%	0.251	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-37.6	-168.9	-60.7	172.2	0	0	0	112.9	L96 V97 L99 V138 S142	L96-I145 WeakPolarHBondContact CA-O 3.24Å; L96-I145 HydrophobicContact CD2-CG2 3.84Å; V97-I145 PolarHBondContact N-O 3.02Å; L99-I145 HydrophobicContact CD1-CG1 4.38Å; V138-I145 HydrophobicContact CB-CG2 4.19Å; V138-I145 HydrophobicContact CG1-CG2 3.83Å; S142-I145 PolarHBondContact O-N 2.8Å
146	L	54.3	Low	59.9	Low	30 Å²	30	62.5 Å²	62.5	16%	0.157	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.5	-176.8	-75.5	162.3	0	0	0	111.4	L96 V138	L96-L146 HydrophobicContact CD2-CD2 3.54Å; L96-L146 HydrophobicContact CD2-CG 4.09Å; L96-L146 HydrophobicContact CG-CD2 4.22Å; V138-L146 HydrophobicContact CG2-CD1 3.88Å; V138-L146 HydrophobicContact CG2-CG 4.34Å
147	R	64	Low	60.4	Low	71 Å²	71	58.7 Å²	58.7	27%	0.268	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	163.7	-177.1	-69.8	-69.2	-176.6	150.4	-0.6	111.3	D91 A95 V97 S143 W151	D91-R147 WeakPolarHBondContact OD2-CA 3.39Å; A95-R147 WeakPolarHBondContact CA-O 3.48Å; A95-R147 WeakPolarHBondContact CB-O 3.46Å; A95-R147 PolarHBondContact N-O 2.78Å; A95-R147 PolarHBondContact O-N 3.45Å; V97-R147 HydrophobicContact CG2-CB 4Å; V97-R147 HydrophobicContact CG2-CG 3.82Å; S143-R147 PolarHBondContact O-NE 2.82Å; S143-R147 PolarHBondContact O-NH2 3.12Å; R147-W151 HydrophobicContact CB-CB 4.4Å; R147-W151 HydrophobicContact CB-CD2 3.98Å; R147-W151 HydrophobicContact CB-CE3 3.44Å; R147-W151 VanDerWaalsContact CB-CE3 3.44Å; R147-W151 HydrophobicContact CB-CG 4.39Å; R147-W151 HydrophobicContact CB-CZ3 3.99Å; R147-W151 HydrophobicContact CG-CD2 3.83Å; R147-W151 HydrophobicContact CG-CE3 3.4Å; R147-W151 VanDerWaalsContact CG-CE3 3.4Å; R147-W151 HydrophobicContact CG-CH2 4.11Å; R147-W151 HydrophobicContact CG-CZ2 4.49Å; R147-W151 HydrophobicContact CG-CZ3 3.56Å
148	S	60.5	Low	60.9	Low	25 Å²	25	60.1 Å²	60.1	18%	0.175	32%	0.318	C	S	.	.			trans	-68.4	145.2	171.8	14.4	0	0	0	0	112.4	D91 R93 A150 W151 C152	D91-S148 VanDerWaalsContact CG-N 3.29Å; D91-S148 VanDerWaalsContact OD1-CA 3.25Å; D91-S148 WeakPolarHBondContact OD1-CA 3.32Å; D91-S148 WeakPolarHBondContact OD1-CB 3.43Å; D91-S148 PolarHBondContact OD1-N 3.05Å; D91-S148 PolarHBondContact OD1-OG 3.29Å; D91-S148 PolarHBondContact OD2-N 2.03Å; D91-S148 PolarHBondContact OD2-OG 3.5Å; D91-S148 VanDerWaalsContact OD2-OG 3.07Å; R93-S148 WeakPolarHBondContact O-CA 3.48Å; S148-A150 PolarHBondContact O-N 3.49Å; S148-A150 VanDerWaalsContact O-N 3.16Å; S148-W151 WeakPolarHBondContact O-CA 3.32Å; S148-W151 WeakPolarHBondContact O-CB 3.42Å; S148-W151 PolarHBondContact O-N 3.27Å; S148-W151 WeakPolarHBondContact OG-CB 3.31Å; S148-C152 PolarHBondContact O-N 3.36Å; S148-C152 PolarHBondContact O-SG 3.42Å; S148-C152 VanDerWaalsContact O-SG 3.41Å
149	Q	59.9	Low	61.3	Low	53 Å²	53	60.2 Å²	60.2	25%	0.248	32%	0.318	C	S	.	.	H	α-helix	trans	-52.4	-31.8	160.9	-168.2	-168.8	22.3	0	0	111.8	W109 K153	W109-Q149 HydrophobicContact CH2-CG 3.77Å; W109-Q149 HydrophobicContact CZ3-CG 3.96Å; Q149-K153 WeakPolarHBondContact O-CB 3.3Å; Q149-K153 WeakPolarHBondContact O-CG 3.17Å; Q149-K153 PolarHBondContact O-N 3.08Å; Q149-K153 VanDerWaalsContact O-N 3.1Å
150	A	59.6	Low	61.6	Low	71 Å²	71	59.1 Å²	59.1	59%	0.587	31%	0.314	S	S	*	.	H	α-helix	trans	-67.5	-46.5	171.5	0	0	0	0	0	112.6	S148 C152 K153 F154	S148-A150 PolarHBondContact O-N 3.49Å; S148-A150 VanDerWaalsContact O-N 3.16Å; A150-C152 PolarHBondContact O-N 2.83Å; A150-K153 PolarHBondContact O-N 2.95Å; A150-F154 WeakPolarHBondContact O-CB 3.46Å; A150-F154 PolarHBondContact O-N 3.21Å
151	W	62.2	Low	62	Low	65 Å²	65	64.7 Å²	64.7	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-44.1	174.7	-178.6	88.1	0	0	0	112	V97 R147 S148 K153 F154 T155 I157	V97-W151 HydrophobicContact CG2-CZ3 3.91Å; R147-W151 HydrophobicContact CB-CB 4.4Å; R147-W151 HydrophobicContact CB-CD2 3.98Å; R147-W151 HydrophobicContact CB-CE3 3.44Å; R147-W151 VanDerWaalsContact CB-CE3 3.44Å; R147-W151 HydrophobicContact CB-CG 4.39Å; R147-W151 HydrophobicContact CB-CZ3 3.99Å; R147-W151 HydrophobicContact CG-CD2 3.83Å; R147-W151 HydrophobicContact CG-CE3 3.4Å; R147-W151 VanDerWaalsContact CG-CE3 3.4Å; R147-W151 HydrophobicContact CG-CH2 4.11Å; R147-W151 HydrophobicContact CG-CZ2 4.49Å; R147-W151 HydrophobicContact CG-CZ3 3.56Å; S148-W151 WeakPolarHBondContact O-CA 3.32Å; S148-W151 WeakPolarHBondContact O-CB 3.42Å; S148-W151 PolarHBondContact O-N 3.27Å; S148-W151 WeakPolarHBondContact OG-CB 3.31Å; W151-K153 PolarHBondContact O-N 3.08Å; W151-F154 PolarHBondContact O-N 2.73Å; W151-T155 HydrophobicContact CD2-CG2 4.13Å; W151-T155 HydrophobicContact CH2-CG2 4.38Å; W151-T155 HydrophobicContact CZ2-CG2 3.86Å; W151-T155 PolarHBondContact O-N 3.49Å; W151-T155 PolarHBondContact O-OG1 2.98Å; W151-I157 HydrophobicContact CE3-CD1 3.96Å; W151-I157 HydrophobicContact CH2-CD1 3.71Å; W151-I157 HydrophobicContact CZ3-CD1 3.2Å
152	C	65.1	Low	62.3	Low	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-39.7	177.1	-61.7	0	0	0	0	112.7	A95 W109 S148 A150 T155 K156 I157	A95-C152 VanDerWaalsContact CB-SG 3.58Å; W109-C152 HydrophobicContact CB-CB 4.26Å; W109-C152 HydrophobicContact CD2-CB 3.8Å; W109-C152 HydrophobicContact CG-CB 3.62Å; S148-C152 PolarHBondContact O-N 3.36Å; S148-C152 PolarHBondContact O-SG 3.42Å; S148-C152 VanDerWaalsContact O-SG 3.41Å; A150-C152 PolarHBondContact O-N 2.83Å; C152-T155 PolarHBondContact O-OG1 3.18Å; C152-K156 PolarHBondContact O-N 2.99Å; C152-I157 PolarHBondContact O-N 3.14Å; C152-I157 VanDerWaalsContact O-N 3.15Å
153	K	64.6	Low	62.5	Low	109 Å²	109	66.1 Å²	66.1	47%	0.474	33%	0.331	S	S	.	.	H	α-helix	trans	-68.7	-32.3	173.8	-74.9	-179.4	176.5	-176.3	0	112.5	Q149 A150 W151 L176	Q149-K153 WeakPolarHBondContact O-CB 3.3Å; Q149-K153 WeakPolarHBondContact O-CG 3.17Å; Q149-K153 PolarHBondContact O-N 3.08Å; Q149-K153 VanDerWaalsContact O-N 3.1Å; A150-K153 PolarHBondContact O-N 2.95Å; W151-K153 PolarHBondContact O-N 3.08Å; K153-L176 PolarHBondContact NZ-O 2.91Å
154	F	68.8	Low	63.2	Low	173 Å²	173	65.6 Å²	65.6	76%	0.759	34%	0.338	S	S	*	.	H	α-helix	trans	-71.6	-43.7	175.6	175.7	-99.7	0	0	0	112.6	A150 W151 K156	A150-F154 WeakPolarHBondContact O-CB 3.46Å; A150-F154 PolarHBondContact O-N 3.21Å; W151-F154 PolarHBondContact O-N 2.73Å; F154-K156 PolarHBondContact O-N 3.41Å
155	T	65.7	Low	63.2	Low	53 Å²	53	67.6 Å²	67.6	33%	0.325	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6.5	178.4	47.5	0	0	0	0	114.1	W151 C152 I157	W151-T155 HydrophobicContact CD2-CG2 4.13Å; W151-T155 HydrophobicContact CH2-CG2 4.38Å; W151-T155 HydrophobicContact CZ2-CG2 3.86Å; W151-T155 PolarHBondContact O-N 3.49Å; W151-T155 PolarHBondContact O-OG1 2.98Å; C152-T155 PolarHBondContact O-OG1 3.18Å; T155-I157 PolarHBondContact O-N 3.09Å; T155-I157 VanDerWaalsContact O-N 3.11Å; T155-I157 WeakPolarHBondContact OG1-CD1 3.48Å; T155-I157 WeakPolarHBondContact OG1-CG1 3.36Å
156	K	75.8	Confident	62.9	Low	191 Å²	191	68.3 Å²	68.3	83%	0.83	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	19	179.6	-53.3	173.9	-175	166.2	0	115.1	C152 F154	C152-K156 PolarHBondContact O-N 2.99Å; F154-K156 PolarHBondContact O-N 3.41Å
157	I	70.5	Confident	63.2	Low	13 Å²	13	71 Å²	71	7%	0.067	37%	0.371	C	S	.	.			trans	-65.5	131.4	-179.3	-56.5	162.2	0	0	0	108.7	P106 S108 W109 W151 C152 T155	P106-I157 HydrophobicContact CB-CD1 3.4Å; P106-I157 VanDerWaalsContact CB-CD1 3.4Å; P106-I157 HydrophobicContact CB-CG1 3.83Å; P106-I157 HydrophobicContact CB-CG2 4.22Å; P106-I157 HydrophobicContact CG-CD1 3.82Å; P106-I157 HydrophobicContact CG-CG1 4.09Å; S108-I157 VanDerWaalsContact C-CG2 3.5Å; W109-I157 HydrophobicContact CB-CG2 4.36Å; W109-I157 PolarHBondContact NE1-O 3.18Å; W151-I157 HydrophobicContact CE3-CD1 3.96Å; W151-I157 HydrophobicContact CH2-CD1 3.71Å; W151-I157 HydrophobicContact CZ3-CD1 3.2Å; C152-I157 PolarHBondContact O-N 3.14Å; C152-I157 VanDerWaalsContact O-N 3.15Å; T155-I157 PolarHBondContact O-N 3.09Å; T155-I157 VanDerWaalsContact O-N 3.11Å; T155-I157 WeakPolarHBondContact OG1-CD1 3.48Å; T155-I157 WeakPolarHBondContact OG1-CG1 3.36Å
158	P	70.3	Confident	63.1	Low	77 Å²	77	67.8 Å²	67.8	50%	0.5	36%	0.359	S	S	.	.			trans	-71.2	147.4	-177.9	29.1	-35.5	0	0	0	112.1	V107 S108 W109 G160	V107-P158 VanDerWaalsContact O-CG 3.28Å; V107-P158 WeakPolarHBondContact O-CG 3.37Å; S108-P158 CarbonylContact C-O 3.6Å; S108-P158 VanDerWaalsContact CA-O 3.25Å; S108-P158 WeakPolarHBondContact CA-O 3.34Å; S108-P158 WeakPolarHBondContact CB-O 3.48Å; W109-P158 VanDerWaalsContact CD1-O 3.25Å; W109-P158 PolarHBondContact N-O 3.3Å; P158-G160 PolarHBondContact O-N 3.49Å
159	L	70.1	Confident	62.9	Low	22 Å²	22	69.3 Å²	69.3	12%	0.115	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-68.8	115.1	171.9	179	51.7	0	0	0	109.2	W109 R161 L173 L176	W109-L159 HydrophobicContact CD2-CD1 4.3Å; W109-L159 HydrophobicContact CE3-CD1 4.26Å; W109-L159 HydrophobicContact CH2-CD1 4Å; W109-L159 HydrophobicContact CZ2-CB 4.23Å; W109-L159 HydrophobicContact CZ2-CD1 4.05Å; W109-L159 HydrophobicContact CZ3-CD1 4.13Å; W109-L159 CarbonylContact O-C 3.53Å; W109-L159 WeakPolarHBondContact O-CA 3.47Å; W109-L159 WeakPolarHBondContact O-CD1 3.23Å; L159-R161 PolarHBondContact O-N 3.2Å; L159-L173 HydrophobicContact CD2-CD2 3.53Å; L159-L173 HydrophobicContact CG-CD2 3.69Å; L159-L176 HydrophobicContact CD2-CB 4.11Å; L159-L176 HydrophobicContact CD2-CD1 4.07Å
160	G	68.5	Low	62.7	Low	7 Å²	7	71.7 Å²	71.7	7%	0.072	38%	0.383	C	S	.	.			trans	-70.1	110.6	-174.1	0	0	0	0	0	111.5	S108 W109 P158 K162 F168	S108-G160 WeakPolarHBondContact OG-CA 3.48Å; W109-G160 PolarHBondContact O-N 2.72Å; P158-G160 PolarHBondContact O-N 3.49Å; G160-K162 PolarHBondContact O-N 3.3Å; G160-K162 VanDerWaalsContact O-N 3.14Å; G160-F168 WeakPolarHBondContact O-CD2 3.23Å; G160-F168 VanDerWaalsContact O-CE2 3.3Å; G160-F168 WeakPolarHBondContact O-CE2 3.42Å
161	R	64.4	Low	62.5	Low	137 Å²	137	74.4 Å²	74.4	52%	0.517	38%	0.384	S	S	.	.	S	Bend	trans	-63.2	-17.8	-175.5	-67.9	-174.8	166.7	-116.4	-5.7	115.1	L159 F168 D170 L173	L159-R161 PolarHBondContact O-N 3.2Å; R161-F168 WeakPolarHBondContact O-CD2 3.28Å; R161-F168 PolarHBondContact O-N 2.81Å; R161-D170 IonicContact CZ-OD1 3.87Å; R161-D170 IonicContact NH1-OD1 3.4Å; R161-D170 PolarHBondContact NH1-OD1 3.34Å; R161-D170 IonicContact NH1-OD2 2.95Å; R161-D170 IonicContact NH2-OD1 3.07Å; R161-D170 PolarHBondContact NH2-OD1 3.44Å; R161-L173 HydrophobicContact CG-CD1 3.96Å
162	K	61.8	Low	62.1	Low	86 Å²	86	73.6 Å²	73.6	37%	0.374	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.8	-176.1	-65.5	-174.5	-173.1	-103.1	0	114.3	G160 F166 D167	G160-K162 PolarHBondContact O-N 3.3Å; G160-K162 VanDerWaalsContact O-N 3.14Å; K162-F166 WeakPolarHBondContact CA-O 3.48Å; K162-F166 WeakPolarHBondContact CB-O 3.09Å; K162-D167 WeakPolarHBondContact CE-OD1 3.33Å; K162-D167 WeakPolarHBondContact CE-OD2 3.23Å; K162-D167 HydrophobicContact CG-CB 4.47Å; K162-D167 VanDerWaalsContact CG-OD1 3.22Å; K162-D167 WeakPolarHBondContact CG-OD1 3.25Å; K162-D167 IonicContact NZ-OD1 3.92Å; K162-D167 PolarHBondContact NZ-OD1 3.49Å; K162-D167 IonicContact NZ-OD2 2.71Å; K162-D167 PolarHBondContact NZ-OD2 2.96Å
163	I	57.4	Low	61.9	Low	19 Å²	19	74.1 Å²	74.1	10%	0.097	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	104.1	169.5	-57.3	173.1	0	0	0	107.6	W110 P126 F136 S165 F166 F168	W110-I163 HydrophobicContact CB-CD1 4Å; W110-I163 VanDerWaalsContact CD1-CD1 3.49Å; W110-I163 HydrophobicContact CD2-CD1 3.72Å; W110-I163 HydrophobicContact CD2-CG1 3.67Å; W110-I163 HydrophobicContact CE3-CD1 4.41Å; W110-I163 HydrophobicContact CE3-CG1 3.88Å; W110-I163 HydrophobicContact CG-CD1 3.47Å; W110-I163 VanDerWaalsContact CG-CD1 3.47Å; W110-I163 HydrophobicContact CG-CG1 3.95Å; W110-I163 HydrophobicContact CZ2-CG1 4.48Å; W110-I163 HydrophobicContact CZ3-CG1 4.34Å; P126-I163 HydrophobicContact CB-CD1 3.62Å; P126-I163 HydrophobicContact CG-CD1 3.83Å; P126-I163 HydrophobicContact CG-CG2 4.44Å; F136-I163 HydrophobicContact CE2-CG2 4.29Å; F136-I163 HydrophobicContact CZ-CG2 4.07Å; I163-S165 PolarHBondContact O-N 3.48Å; I163-F166 PolarHBondContact N-O 3.22Å; I163-F166 WeakPolarHBondContact O-CB 3.42Å; I163-F166 PolarHBondContact O-N 2.95Å; I163-F168 HydrophobicContact CD1-CE2 3.77Å; I163-F168 HydrophobicContact CD1-CZ 3.65Å; I163-F168 HydrophobicContact CG1-CE2 3.92Å; I163-F168 HydrophobicContact CG1-CZ 4.32Å
164	G	60	Low	61.6	Low	61 Å²	61	71.1 Å²	71.1	63%	0.629	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	-105	-174.6	0	0	0	0	0	112.2	R966	G164-R966 PolarHBondContact O-NH1 3.23Å
165	S	48.6	Very low	61	Low	108 Å²	108	67.8 Å²	67.8	76%	0.755	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-14.8	173.8	50.3	0	0	0	0	114.4	I163	I163-S165 PolarHBondContact O-N 3.48Å
166	F	49.8	Very low	60.6	Low	63 Å²	63	65.9 Å²	65.9	28%	0.276	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.4	178.9	-169.4	-95.3	0	0	0	110.7	L128 K162 I163 F168	L128-F166 HydrophobicContact CB-CE1 4.37Å; L128-F166 HydrophobicContact CB-CZ 4.16Å; L128-F166 WeakPolarHBondContact O-CZ 3.06Å; K162-F166 WeakPolarHBondContact CA-O 3.48Å; K162-F166 WeakPolarHBondContact CB-O 3.09Å; I163-F166 PolarHBondContact N-O 3.22Å; I163-F166 WeakPolarHBondContact O-CB 3.42Å; I163-F166 PolarHBondContact O-N 2.95Å; F166-F168 HydrophobicContact CD1-CE1 4.45Å; F166-F168 AromaticContact CE1-CD1 3.85Å; F166-F168 HydrophobicContact CE1-CD1 3.85Å; F166-F168 AromaticContact CE1-CE1 3.88Å; F166-F168 HydrophobicContact CE1-CE1 3.88Å; F166-F168 HydrophobicContact CE1-CG 4.34Å; F166-F168 HydrophobicContact CE1-CZ 4.4Å
167	D	59.3	Low	59.7	Low	88 Å²	88	62 Å²	62	47%	0.471	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.2	-176.6	-148.6	3.3	0	0	0	108.4	K162 S169	K162-D167 WeakPolarHBondContact CE-OD1 3.33Å; K162-D167 WeakPolarHBondContact CE-OD2 3.23Å; K162-D167 HydrophobicContact CG-CB 4.47Å; K162-D167 VanDerWaalsContact CG-OD1 3.22Å; K162-D167 WeakPolarHBondContact CG-OD1 3.25Å; K162-D167 IonicContact NZ-OD1 3.92Å; K162-D167 PolarHBondContact NZ-OD1 3.49Å; K162-D167 IonicContact NZ-OD2 2.71Å; K162-D167 PolarHBondContact NZ-OD2 2.96Å; D167-S169 PolarHBondContact O-N 2.86Å
168	F	61.3	Low	58.8	Low	3 Å²	3	67.2 Å²	67.2	1%	0.013	37%	0.367	C	S	.	.			trans	-75.3	117.7	174.8	-67	-79.2	0	0	0	108.8	W110 L128 G160 R161 I163 F166 L173	W110-F168 HydrophobicContact CB-CE2 3.98Å; W110-F168 HydrophobicContact CB-CZ 4Å; L128-F168 HydrophobicContact CB-CE1 4.18Å; L128-F168 HydrophobicContact CD1-CD1 3.78Å; L128-F168 HydrophobicContact CD1-CE1 3.82Å; L128-F168 HydrophobicContact CG-CE1 4.49Å; G160-F168 WeakPolarHBondContact O-CD2 3.23Å; G160-F168 VanDerWaalsContact O-CE2 3.3Å; G160-F168 WeakPolarHBondContact O-CE2 3.42Å; R161-F168 WeakPolarHBondContact O-CD2 3.28Å; R161-F168 PolarHBondContact O-N 2.81Å; I163-F168 HydrophobicContact CD1-CE2 3.77Å; I163-F168 HydrophobicContact CD1-CZ 3.65Å; I163-F168 HydrophobicContact CG1-CE2 3.92Å; I163-F168 HydrophobicContact CG1-CZ 4.32Å; F166-F168 HydrophobicContact CD1-CE1 4.45Å; F166-F168 AromaticContact CE1-CD1 3.85Å; F166-F168 HydrophobicContact CE1-CD1 3.85Å; F166-F168 AromaticContact CE1-CE1 3.88Å; F166-F168 HydrophobicContact CE1-CE1 3.88Å; F166-F168 HydrophobicContact CE1-CG 4.34Å; F166-F168 HydrophobicContact CE1-CZ 4.4Å; F168-L173 HydrophobicContact CB-CD2 3.74Å; F168-L173 HydrophobicContact CB-CG 4.12Å; F168-L173 HydrophobicContact CG-CD2 4.46Å
169	S	57.3	Low	57.8	Low	56 Å²	56	69.7 Å²	69.7	39%	0.392	37%	0.372	S	S	.	.			trans	-63.9	148.7	178	70.5	0	0	0	0	111.3	D167 H171 L172 L173	D167-S169 PolarHBondContact O-N 2.86Å; S169-H171 PolarHBondContact O-N 2.8Å; S169-L172 PolarHBondContact O-N 3.04Å; S169-L172 WeakPolarHBondContact OG-CD1 3.22Å; S169-L172 WeakPolarHBondContact OG-CG 3.31Å; S169-L172 PolarHBondContact OG-N 2.81Å; S169-L173 WeakPolarHBondContact O-CG 3.25Å; S169-L173 PolarHBondContact O-N 3.41Å
170	D	56.4	Low	56.2	Low	103 Å²	103	76.9 Å²	76.9	55%	0.551	40%	0.402	S	S	*	.	H	α-helix	trans	-57	-25.6	178.8	-66.6	-78.5	0	0	0	113.2	R161 S174	R161-D170 IonicContact CZ-OD1 3.87Å; R161-D170 IonicContact NH1-OD1 3.4Å; R161-D170 PolarHBondContact NH1-OD1 3.34Å; R161-D170 IonicContact NH1-OD2 2.95Å; R161-D170 IonicContact NH2-OD1 3.07Å; R161-D170 PolarHBondContact NH2-OD1 3.44Å; D170-S174 PolarHBondContact O-N 3.34Å
171	H	54.2	Low	54.3	Low	129 Å²	129	85.9 Å²	85.9	60%	0.597	44%	0.439	S	S	*	.	H	α-helix	trans	-71.6	-39.7	172.7	-169.1	-0.6	0	0	0	112.9	S169 L173 S174 E175	S169-H171 PolarHBondContact O-N 2.8Å; H171-L173 VanDerWaalsContact C-N 3.34Å; H171-S174 PolarHBondContact O-N 3.48Å; H171-S174 PolarHBondContact O-OG 3.2Å; H171-E175 PolarHBondContact O-N 2.86Å
172	L	55.3	Low	52.7	Low	47 Å²	47	85.5 Å²	85.5	25%	0.246	46%	0.455	C	S	.	.	H	α-helix	trans	-72.1	-31	174.7	-72.4	165.6	0	0	0	111.5	L128 S169 L176	L128-L172 HydrophobicContact CD1-CB 4.09Å; L128-L172 HydrophobicContact CD1-CD1 4.18Å; L128-L172 HydrophobicContact CD1-CD2 3.98Å; L128-L172 HydrophobicContact CD1-CG 4.31Å; L128-L172 HydrophobicContact CD2-CD2 3.89Å; S169-L172 PolarHBondContact O-N 3.04Å; S169-L172 WeakPolarHBondContact OG-CD1 3.22Å; S169-L172 WeakPolarHBondContact OG-CG 3.31Å; S169-L172 PolarHBondContact OG-N 2.81Å; L172-L176 WeakPolarHBondContact O-CD1 3.42Å; L172-L176 VanDerWaalsContact O-CG 3.28Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 2.68Å
173	L	59.2	Low	51.1	Low	12 Å²	12	86.4 Å²	86.4	6%	0.063	47%	0.472	C	S	.	.	H	α-helix	trans	-63.6	-46.1	170.5	-62.7	174.9	0	0	0	110.5	L159 R161 F168 S169 H171 E175 L176 E177	L159-L173 HydrophobicContact CD2-CD2 3.53Å; L159-L173 HydrophobicContact CG-CD2 3.69Å; R161-L173 HydrophobicContact CG-CD1 3.96Å; F168-L173 HydrophobicContact CB-CD2 3.74Å; F168-L173 HydrophobicContact CB-CG 4.12Å; F168-L173 HydrophobicContact CG-CD2 4.46Å; S169-L173 WeakPolarHBondContact O-CG 3.25Å; S169-L173 PolarHBondContact O-N 3.41Å; H171-L173 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 3.19Å; L173-L176 PolarHBondContact O-N 3.08Å; L173-E177 WeakPolarHBondContact O-CG 3.45Å; L173-E177 PolarHBondContact O-N 3.38Å
174	S	58.4	Low	49.7	Very low	45 Å²	45	91.7 Å²	91.7	32%	0.315	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-41.4	176.7	67.5	0	0	0	0	112.7	D170 H171 L176 E177 D178	D170-S174 PolarHBondContact O-N 3.34Å; H171-S174 PolarHBondContact O-N 3.48Å; H171-S174 PolarHBondContact O-OG 3.2Å; S174-L176 PolarHBondContact O-N 3.17Å; S174-E177 PolarHBondContact O-N 2.99Å; S174-D178 WeakPolarHBondContact O-CB 3.35Å; S174-D178 PolarHBondContact O-N 3.5Å
175	E	57.4	Low	48.2	Very low	104 Å²	104	92.9 Å²	92.9	49%	0.486	51%	0.512	S	S	.	.	H	α-helix	trans	-60.8	-27.3	174.5	-74.5	-168.1	135.6	0	0	114.1	H171 L173 Q179	H171-E175 PolarHBondContact O-N 2.86Å; L173-E175 PolarHBondContact O-N 3.19Å; E175-Q179 WeakPolarHBondContact O-CG 3.26Å; E175-Q179 PolarHBondContact O-NE2 3.15Å
176	L	57.6	Low	47.1	Very low	13 Å²	13	93.5 Å²	93.5	7%	0.068	51%	0.512	C	S	.	.	H	α-helix	trans	-84.3	-16.8	176.5	-70.3	168.6	0	0	0	113.4	P111 Y127 L128 K153 L159 L172 L173 S174	P111-L176 HydrophobicContact CG-CD1 3.99Å; P111-L176 HydrophobicContact CG-CD2 4.17Å; Y127-L176 HydrophobicContact CD1-CD2 4.19Å; Y127-L176 HydrophobicContact CE1-CD2 4.08Å; L128-L176 HydrophobicContact CD1-CD1 4.28Å; K153-L176 PolarHBondContact NZ-O 2.91Å; L159-L176 HydrophobicContact CD2-CB 4.11Å; L159-L176 HydrophobicContact CD2-CD1 4.07Å; L172-L176 WeakPolarHBondContact O-CD1 3.42Å; L172-L176 VanDerWaalsContact O-CG 3.28Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 2.68Å; L173-L176 PolarHBondContact O-N 3.08Å; S174-L176 PolarHBondContact O-N 3.17Å
177	E	56	Low	46	Very low	110 Å²	110	94.5 Å²	94.5	51%	0.514	53%	0.527	S	S	.	.	H	α-helix	trans	-99.2	-38.3	-180	-70.5	-177.1	173.5	0	0	112.9	L173 S174 Q179	L173-E177 WeakPolarHBondContact O-CG 3.45Å; L173-E177 PolarHBondContact O-N 3.38Å; S174-E177 PolarHBondContact O-N 2.99Å; E177-Q179 PolarHBondContact O-N 3.44Å
178	D	52.1	Low	44.6	Very low	122 Å²	122	98.2 Å²	98.2	65%	0.652	53%	0.534	S	S	*	.			trans	-86.7	4	-173.2	-91.8	-26.7	0	0	0	115.9	S174 K180	S174-D178 WeakPolarHBondContact O-CB 3.35Å; S174-D178 PolarHBondContact O-N 3.5Å; D178-K180 PolarHBondContact O-N 2.73Å
179	Q	49.3	Very low	42.8	Very low	129 Å²	129	102.6 Å²	102.6	60%	0.603	57%	0.565	S	S	*	*			trans	-70.8	60.3	170.8	-73.7	-179	24.8	0	0	112.7	E175 E177	E175-Q179 WeakPolarHBondContact O-CG 3.26Å; E175-Q179 PolarHBondContact O-NE2 3.15Å; E177-Q179 PolarHBondContact O-N 3.44Å
180	K	36.8	Very low	41.4	Very low	173 Å²	173	106.1 Å²	106.1	75%	0.752	59%	0.59	S	S	*	*			trans	-107.6	-1.1	-176.8	-84.9	174	175.7	164	0	114.4	D178	D178-K180 PolarHBondContact O-N 2.73Å
181	K	28.3	Very low	39.9	Very low	195 Å²	195	106.1 Å²	106.1	85%	0.848	60%	0.598	S	S	*	*			trans	-142.7	109.1	-179.5	-66.2	-177	-177	175.1	0	112.2
182	P	30.5	Very low	38.6	Very low	130 Å²	130	106 Å²	106	84%	0.844	60%	0.597	S	S	*	*			trans	-88.4	106.6	167.9	32.2	-28.6	0	0	0	110.3
183	S	28.9	Very low	37.1	Very low	105 Å²	105	107.3 Å²	107.3	73%	0.734	61%	0.609	S	S	*	*			trans	-90.8	-31.5	172	46.5	0	0	0	0	113.3
184	D	27.1	Very low	35.6	Very low	129 Å²	129	115.1 Å²	115.1	69%	0.69	65%	0.645	S	S	*	*	S	Bend	trans	-117.3	125	-166.8	-64.5	-81.5	0	0	0	111.6	T186	D184-T186 VanDerWaalsContact C-N 3.25Å; D184-T186 PolarHBondContact O-N 3.37Å
185	G	28.1	Very low	34.1	Very low	86 Å²	86	119.3 Å²	119.3	89%	0.887	66%	0.664	S	S	*	*			trans	-79	36.9	-162	0	0	0	0	0	116.8
186	T	26.2	Very low	32.7	Very low	122 Å²	122	115.6 Å²	115.6	75%	0.748	65%	0.654	S	S	*	*			trans	-136.9	146.2	176.1	62.7	0	0	0	0	113.5	D184	D184-T186 VanDerWaalsContact C-N 3.25Å; D184-T186 PolarHBondContact O-N 3.37Å
187	S	26.8	Very low	31.3	Very low	84 Å²	84	119.3 Å²	119.3	59%	0.587	68%	0.676	S	S	*	*	S	Bend	trans	73.9	165.5	-178.7	-153.9	0	0	0	0	116.9	S189	S187-S189 PolarHBondContact O-N 3.39Å
188	W	28.9	Very low	29.9	Very low	166 Å²	166	117.1 Å²	117.1	63%	0.629	68%	0.677	S	S	*	*	S	Bend	trans	61.8	-16.8	-177.4	-61.3	104.5	0	0	0	119	R93 Y127	R93-W188 PolarHBondContact NH2-O 3.06Å; Y127-W188 AromaticContact CE2-CH2 3.93Å; Y127-W188 HydrophobicContact CE2-CH2 3.93Å; Y127-W188 VanDerWaalsContact OH-CH2 3.27Å; Y127-W188 WeakPolarHBondContact OH-CH2 3.11Å; Y127-W188 WeakPolarHBondContact OH-CZ2 3.28Å
189	S	24.8	Very low	28.7	Very low	95 Å²	95	119.8 Å²	119.8	66%	0.664	68%	0.683	S	S	*	*			trans	-107	76.7	171.5	50.4	0	0	0	0	112.4	S187 S191	S187-S189 PolarHBondContact O-N 3.39Å; S189-S191 VanDerWaalsContact C-N 3.33Å; S189-S191 PolarHBondContact O-N 3.25Å
190	S	27.3	Very low	27.8	Very low	130 Å²	130	119.3 Å²	119.3	91%	0.909	68%	0.676	S	S	*	*			trans	-72	94.7	160.4	-171.3	0	0	0	0	108.5	Q192	S190-Q192 PolarHBondContact O-N 3.18Å
191	S	25.1	Very low	27.4	Very low	102 Å²	102	115.6 Å²	115.6	71%	0.713	67%	0.672	S	S	*	*			trans	-69.2	114.2	-175	40.7	0	0	0	0	112	S189	S189-S191 VanDerWaalsContact C-N 3.33Å; S189-S191 PolarHBondContact O-N 3.25Å
192	Q	26	Very low	27.7	Very low	126 Å²	126	116.7 Å²	116.7	59%	0.589	67%	0.671	S	S	*	*			trans	-68	136.6	135.3	-72.7	-78.7	-101	0	0	107.2	S190	S190-Q192 PolarHBondContact O-N 3.18Å
193	P	24.6	Very low	28.1	Very low	76 Å²	76	116.3 Å²	116.3	49%	0.494	66%	0.659	S	S	.	*			trans	-58.4	143.9	160.6	-18.2	31.4	0	0	0	109.1	D195 G196	P193-D195 HydrophobicContact CB-CB 4.29Å; P193-D195 PolarHBondContact O-N 3.45Å; P193-D195 VanDerWaalsContact O-N 3.12Å; P193-G196 PolarHBondContact O-N 2.78Å
194	E	27.8	Very low	29	Very low	175 Å²	175	115.3 Å²	115.3	82%	0.818	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-19.1	178	-61.9	-165.6	140.1	0	0	112.2	G196 V197	E194-G196 PolarHBondContact O-N 3.04Å; E194-G196 VanDerWaalsContact O-N 3.1Å; E194-V197 VanDerWaalsContact O-CB 3.29Å; E194-V197 WeakPolarHBondContact O-CB 3.24Å; E194-V197 WeakPolarHBondContact O-CG2 3.36Å; E194-V197 PolarHBondContact O-N 3.18Å
195	D	27.2	Very low	30.2	Very low	134 Å²	134	111.6 Å²	111.6	72%	0.717	62%	0.624	S	S	*	*	H	α-helix	trans	-52.6	-27.4	166.7	-54.5	-61.7	0	0	0	113.5	P193 V197 A198	P193-D195 HydrophobicContact CB-CB 4.29Å; P193-D195 PolarHBondContact O-N 3.45Å; P193-D195 VanDerWaalsContact O-N 3.12Å; D195-V197 VanDerWaalsContact C-N 3.3Å; D195-V197 PolarHBondContact O-N 3.49Å; D195-A198 PolarHBondContact O-N 3.46Å
196	G	26.9	Very low	31.4	Very low	26 Å²	26	108.4 Å²	108.4	27%	0.268	59%	0.587	S	S	.	*	H	α-helix	trans	-67.1	-28.4	175.1	0	0	0	0	0	113.5	P193 E194 F199 R200	P193-G196 PolarHBondContact O-N 2.78Å; E194-G196 PolarHBondContact O-N 3.04Å; E194-G196 VanDerWaalsContact O-N 3.1Å; G196-F199 PolarHBondContact O-N 3.47Å; G196-R200 PolarHBondContact O-N 3.46Å
197	V	27.8	Very low	33.2	Very low	90 Å²	90	103.5 Å²	103.5	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-66.6	-41.7	176.2	-174.4	0	0	0	0	109.8	E194 D195 F199 R200 S201	E194-V197 VanDerWaalsContact O-CB 3.29Å; E194-V197 WeakPolarHBondContact O-CB 3.24Å; E194-V197 WeakPolarHBondContact O-CG2 3.36Å; E194-V197 PolarHBondContact O-N 3.18Å; D195-V197 VanDerWaalsContact C-N 3.3Å; D195-V197 PolarHBondContact O-N 3.49Å; V197-F199 PolarHBondContact O-N 2.84Å; V197-F199 VanDerWaalsContact O-N 3.12Å; V197-R200 PolarHBondContact O-N 3.42Å; V197-S201 PolarHBondContact O-N 3.42Å; V197-S201 PolarHBondContact O-OG 3.11Å; V197-S201 VanDerWaalsContact O-OG 3.1Å
198	A	26.6	Very low	35	Very low	64 Å²	64	106.2 Å²	106.2	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-61.7	-21.9	178.6	0	0	0	0	0	114.1	D195	D195-A198 PolarHBondContact O-N 3.46Å
199	F	28.4	Very low	37.2	Very low	179 Å²	179	100.8 Å²	100.8	79%	0.785	54%	0.542	S	S	*	.	H	α-helix	trans	-82.2	-30.6	172.7	-142.3	-84	0	0	0	112.5	G196 V197	G196-F199 PolarHBondContact O-N 3.47Å; V197-F199 PolarHBondContact O-N 2.84Å; V197-F199 VanDerWaalsContact O-N 3.12Å
200	R	29.4	Very low	39.9	Very low	118 Å²	118	96.5 Å²	96.5	45%	0.445	51%	0.512	S	S	.	.	H	α-helix	trans	-78.9	-35.4	177.9	-74.9	178	154.2	-169.6	-23.8	112.7	D90 G196 V197 R202 M203	D90-R200 IonicContact OD1-CZ 3.25Å; D90-R200 IonicContact OD1-NH1 3.73Å; D90-R200 PolarHBondContact OD1-NH1 3.25Å; D90-R200 IonicContact OD1-NH2 2.79Å; D90-R200 PolarHBondContact OD1-NH2 2.72Å; D90-R200 VanDerWaalsContact OD1-NH2 3.13Å; D90-R200 IonicContact OD2-CZ 2.81Å; D90-R200 IonicContact OD2-NH1 3.93Å; D90-R200 PolarHBondContact OD2-NH1 3.46Å; G196-R200 PolarHBondContact O-N 3.46Å; V197-R200 PolarHBondContact O-N 3.42Å; R200-R202 PolarHBondContact O-N 3.22Å; R200-M203 PolarHBondContact O-N 3.49Å
201	S	28.6	Very low	42.4	Very low	96 Å²	96	94.7 Å²	94.7	67%	0.671	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	8.9	173.8	-49.3	0	0	0	0	115.4	V197	V197-S201 PolarHBondContact O-N 3.42Å; V197-S201 PolarHBondContact O-OG 3.11Å; V197-S201 VanDerWaalsContact O-OG 3.1Å
202	R	33.6	Very low	45.3	Very low	218 Å²	218	93.5 Å²	93.5	82%	0.823	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-8.2	173.9	-65.9	-175	179.8	175.2	2.4	113.9	R200 F204	R200-R202 PolarHBondContact O-N 3.22Å; R202-F204 VanDerWaalsContact C-N 3.3Å; R202-F204 PolarHBondContact O-N 3.44Å; R202-F204 VanDerWaalsContact O-N 3.11Å
203	M	39.6	Very low	48.2	Very low	122 Å²	122	93.9 Å²	93.9	60%	0.601	48%	0.478	S	S	*	.			trans	-81.7	86.6	164	-77.1	-171.8	65.3	0	0	108.3	A86 R200	A86-M203 HydrophobicContact CB-CE 3.87Å; R200-M203 PolarHBondContact O-N 3.49Å
204	F	47.4	Very low	51.5	Low	84 Å²	84	94.1 Å²	94.1	37%	0.368	47%	0.469	S	S	.	.			trans	-47.3	146.2	162	-143.5	-105.9	0	0	0	109.6	R202 P206 F209 K322 P323	R202-F204 VanDerWaalsContact C-N 3.3Å; R202-F204 PolarHBondContact O-N 3.44Å; R202-F204 VanDerWaalsContact O-N 3.11Å; F204-P206 VanDerWaalsContact O-CD 3.3Å; F204-P206 WeakPolarHBondContact O-CD 3.46Å; F204-F209 HydrophobicContact CD1-CD2 4.18Å; F204-F209 AromaticContact CD1-CE2 3.76Å; F204-F209 HydrophobicContact CD1-CE2 3.76Å; F204-F209 HydrophobicContact CD1-CZ 4.37Å; F204-F209 HydrophobicContact CE1-CD1 4.42Å; F204-F209 AromaticContact CE1-CD2 3.57Å; F204-F209 HydrophobicContact CE1-CD2 3.57Å; F204-F209 HydrophobicContact CE1-CE1 4Å; F204-F209 AromaticContact CE1-CE2 3.08Å; F204-F209 HydrophobicContact CE1-CE2 3.08Å; F204-F209 HydrophobicContact CE1-CG 4.24Å; F204-F209 AromaticContact CE1-CZ 3.34Å; F204-F209 HydrophobicContact CE1-CZ 3.34Å; F204-F209 HydrophobicContact CE2-CZ 4.41Å; F204-F209 HydrophobicContact CZ-CD2 4.44Å; F204-F209 AromaticContact CZ-CE1 3.98Å; F204-F209 HydrophobicContact CZ-CE1 3.98Å; F204-F209 AromaticContact CZ-CE2 3.64Å; F204-F209 HydrophobicContact CZ-CE2 3.64Å; F204-F209 AromaticContact CZ-CZ 3.37Å; F204-F209 HydrophobicContact CZ-CZ 3.37Å; F204-K322 HydrophobicContact CE2-CG 4.49Å; F204-K322 HydrophobicContact CZ-CD 4.4Å; F204-K322 HydrophobicContact CZ-CG 4.28Å; F204-P323 HydrophobicContact CD1-CB 3.63Å; F204-P323 HydrophobicContact CD1-CG 4.41Å; F204-P323 HydrophobicContact CE1-CB 3.52Å; F204-P323 HydrophobicContact CE1-CG 3.8Å
205	V	52.3	Low	54.6	Low	50 Å²	50	87.7 Å²	87.7	30%	0.303	44%	0.438	S	S	.	.			trans	-103.6	97	175.3	-176.8	0	0	0	0	107.9	C207 E208	V205-C207 HydrophobicContact CG1-CB 3.87Å; V205-C207 PolarHBondContact O-N 2.93Å; V205-E208 HydrophobicContact CB-CG 4.4Å; V205-E208 HydrophobicContact CG1-CG 4.41Å; V205-E208 PolarHBondContact O-N 2.83Å
206	P	54.9	Low	57.8	Low	20 Å²	20	81.3 Å²	81.3	13%	0.13	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-56.7	-29.7	-173.8	-27.4	38	0	0	0	113.5	F204 E208 F209 F210 F258	F204-P206 VanDerWaalsContact O-CD 3.3Å; F204-P206 WeakPolarHBondContact O-CD 3.46Å; P206-E208 PolarHBondContact O-N 2.86Å; P206-E208 VanDerWaalsContact O-N 3.13Å; P206-F209 PolarHBondContact O-N 2.99Å; P206-F210 HydrophobicContact CB-CE2 3.66Å; P206-F210 HydrophobicContact CB-CZ 4.44Å; P206-F210 WeakPolarHBondContact O-CD2 3.29Å; P206-F210 WeakPolarHBondContact O-CE2 3.45Å; P206-F258 HydrophobicContact CG-CD1 4.24Å; P206-F258 HydrophobicContact CG-CE1 3.96Å
207	C	62.9	Low	60.9	Low	18 Å²	18	80 Å²	80	12%	0.122	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-45.2	-41.2	178.6	-53	0	0	0	0	114.3	L87 V205 F209 F210 F235 C257	L87-C207 WeakPolarHBondContact CD2-SG 3.47Å; V205-C207 HydrophobicContact CG1-CB 3.87Å; V205-C207 PolarHBondContact O-N 2.93Å; C207-F209 PolarHBondContact O-N 3.46Å; C207-F209 VanDerWaalsContact O-N 3.12Å; C207-F210 PolarHBondContact O-N 2.73Å; C207-F235 HydrophobicContact CB-CE1 4.25Å; C207-F235 HydrophobicContact CB-CE2 4.16Å; C207-F235 HydrophobicContact CB-CZ 3.54Å; C207-C257 VanDerWaalsContact SG-SG 3.66Å
208	E	65.3	Low	63.9	Low	141 Å²	141	75.8 Å²	75.8	66%	0.659	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-65.7	-14.7	-175.7	-61.2	173	164.2	0	0	113.1	V205 P206	V205-E208 HydrophobicContact CB-CG 4.4Å; V205-E208 HydrophobicContact CG1-CG 4.41Å; V205-E208 PolarHBondContact O-N 2.83Å; P206-E208 PolarHBondContact O-N 2.86Å; P206-E208 VanDerWaalsContact O-N 3.13Å
209	F	75.1	Confident	66.9	Low	52 Å²	52	73.8 Å²	73.8	23%	0.228	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-108.5	3.9	-172.6	-57.5	-90	0	0	0	113.3	F204 P206 C207 V319 P320 P323	F204-F209 HydrophobicContact CD1-CD2 4.18Å; F204-F209 AromaticContact CD1-CE2 3.76Å; F204-F209 HydrophobicContact CD1-CE2 3.76Å; F204-F209 HydrophobicContact CD1-CZ 4.37Å; F204-F209 HydrophobicContact CE1-CD1 4.42Å; F204-F209 AromaticContact CE1-CD2 3.57Å; F204-F209 HydrophobicContact CE1-CD2 3.57Å; F204-F209 HydrophobicContact CE1-CE1 4Å; F204-F209 AromaticContact CE1-CE2 3.08Å; F204-F209 HydrophobicContact CE1-CE2 3.08Å; F204-F209 HydrophobicContact CE1-CG 4.24Å; F204-F209 AromaticContact CE1-CZ 3.34Å; F204-F209 HydrophobicContact CE1-CZ 3.34Å; F204-F209 HydrophobicContact CE2-CZ 4.41Å; F204-F209 HydrophobicContact CZ-CD2 4.44Å; F204-F209 AromaticContact CZ-CE1 3.98Å; F204-F209 HydrophobicContact CZ-CE1 3.98Å; F204-F209 AromaticContact CZ-CE2 3.64Å; F204-F209 HydrophobicContact CZ-CE2 3.64Å; F204-F209 AromaticContact CZ-CZ 3.37Å; F204-F209 HydrophobicContact CZ-CZ 3.37Å; P206-F209 PolarHBondContact O-N 2.99Å; C207-F209 PolarHBondContact O-N 3.46Å; C207-F209 VanDerWaalsContact O-N 3.12Å; F209-V319 WeakPolarHBondContact O-CG1 3.3Å; F209-P320 HydrophobicContact CD1-CB 4.44Å; F209-P320 HydrophobicContact CD1-CG 4.23Å; F209-P323 HydrophobicContact CB-CG 3.99Å; F209-P323 HydrophobicContact CD1-CG 4.28Å; F209-P323 HydrophobicContact CD2-CG 4.2Å; F209-P323 HydrophobicContact CG-CG 3.86Å
210	F	80.6	Confident	69.6	Low	6 Å²	6	65.2 Å²	65.2	3%	0.026	31%	0.307	C	S	.	.			trans	-104.4	64.1	-179.4	-66	-76.7	0	0	0	112.5	P206 C207 V216 I232 L240 C257 I262 V319 F324	P206-F210 HydrophobicContact CB-CE2 3.66Å; P206-F210 HydrophobicContact CB-CZ 4.44Å; P206-F210 WeakPolarHBondContact O-CD2 3.29Å; P206-F210 WeakPolarHBondContact O-CE2 3.45Å; C207-F210 PolarHBondContact O-N 2.73Å; F210-V216 HydrophobicContact CD1-CG1 4.25Å; F210-V216 HydrophobicContact CE1-CG1 3.94Å; F210-I232 HydrophobicContact CB-CD1 4.08Å; F210-I232 HydrophobicContact CD1-CD1 3.72Å; F210-I232 HydrophobicContact CG-CD1 4.39Å; F210-L240 HydrophobicContact CB-CD2 3.68Å; F210-L240 HydrophobicContact CD1-CD1 3.62Å; F210-L240 HydrophobicContact CD1-CD2 4.02Å; F210-L240 HydrophobicContact CD1-CG 4.48Å; F210-L240 HydrophobicContact CD2-CD1 4.48Å; F210-L240 HydrophobicContact CE1-CD1 3.64Å; F210-L240 HydrophobicContact CG-CD1 4.06Å; F210-L240 HydrophobicContact CG-CD2 3.89Å; F210-L240 HydrophobicContact CZ-CD1 4.1Å; F210-C257 HydrophobicContact CD2-CB 3.84Å; F210-C257 HydrophobicContact CE2-CB 3.5Å; F210-C257 HydrophobicContact CZ-CB 3.99Å; F210-I262 HydrophobicContact CE1-CG2 3.91Å; F210-I262 HydrophobicContact CZ-CG2 4.23Å; F210-V319 HydrophobicContact CD1-CG1 4.13Å; F210-F324 HydrophobicContact CE1-CE1 4.33Å; F210-F324 AromaticContact CE1-CZ 3.73Å; F210-F324 HydrophobicContact CE1-CZ 3.73Å; F210-F324 HydrophobicContact CE2-CZ 4.42Å; F210-F324 AromaticContact CZ-CE1 3.87Å; F210-F324 HydrophobicContact CZ-CE1 3.87Å; F210-F324 AromaticContact CZ-CZ 3.49Å; F210-F324 HydrophobicContact CZ-CZ 3.49Å; F210-F324 VanDerWaalsContact CZ-CZ 3.49Å
211	E	81.1	Confident	71.8	Confident	91 Å²	91	62.1 Å²	62.1	43%	0.425	30%	0.302	S	S	.	.			trans	-61.3	142.8	170.8	-57.9	160	-153.1	0	0	111.1	R214	E211-R214 HydrophobicContact CB-CG 3.77Å; E211-R214 WeakPolarHBondContact O-CB 3.43Å; E211-R214 IonicContact OE1-CZ 2.76Å; E211-R214 IonicContact OE1-NE 3.45Å; E211-R214 IonicContact OE1-NH2 2.73Å; E211-R214 PolarHBondContact OE1-NH2 3.29Å; E211-R214 VanDerWaalsContact OE1-NH2 3.15Å; E211-R214 IonicContact OE2-CZ 3.79Å; E211-R214 IonicContact OE2-NE 2.74Å; E211-R214 PolarHBondContact OE2-NE 2.74Å; E211-R214 IonicContact OE2-NH2 3.19Å; E211-R214 PolarHBondContact OE2-NH2 3.48Å
212	P	85.5	Confident	73.9	Confident	78 Å²	78	58.9 Å²	58.9	51%	0.506	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	158.8	166	-23.7	34.7	0	0	0	112.4	R214	P212-R214 PolarHBondContact O-N 3.3Å
213	K	87.2	Confident	76.2	Confident	133 Å²	133	51.8 Å²	51.8	58%	0.578	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-19.8	-174.1	-51.5	177.2	-179.1	176.1	0	115.7	Y215 Q231 I232	K213-Y215 WeakPolarHBondContact O-CE2 3.47Å; K213-Q231 WeakPolarHBondContact O-CG 3.29Å; K213-Q231 PolarHBondContact O-NE2 3.43Å; K213-I232 PolarHBondContact N-O 2.62Å
214	R	93	Very high	78.4	Confident	81 Å²	81	46.4 Å²	46.4	31%	0.306	23%	0.229	S	C	.	.			trans	-66.8	168.1	172.1	-64.4	-73.3	-174.9	156	6.4	112.6	E211 P212 Q231 I232 N317 V319	E211-R214 HydrophobicContact CB-CG 3.77Å; E211-R214 WeakPolarHBondContact O-CB 3.43Å; E211-R214 IonicContact OE1-CZ 2.76Å; E211-R214 IonicContact OE1-NE 3.45Å; E211-R214 IonicContact OE1-NH2 2.73Å; E211-R214 PolarHBondContact OE1-NH2 3.29Å; E211-R214 VanDerWaalsContact OE1-NH2 3.15Å; E211-R214 IonicContact OE2-CZ 3.79Å; E211-R214 IonicContact OE2-NE 2.74Å; E211-R214 PolarHBondContact OE2-NE 2.74Å; E211-R214 IonicContact OE2-NH2 3.19Å; E211-R214 PolarHBondContact OE2-NH2 3.48Å; P212-R214 PolarHBondContact O-N 3.3Å; R214-Q231 WeakPolarHBondContact O-CA 3.47Å; R214-I232 HydrophobicContact CB-CD1 4.19Å; R214-I232 PolarHBondContact O-N 3.07Å; R214-N317 WeakPolarHBondContact CA-O 3.5Å; R214-N317 WeakPolarHBondContact CD-O 3.46Å; R214-V319 HydrophobicContact CB-CG1 3.98Å
215	Y	93.5	Very high	80.3	Confident	40 Å²	40	42.4 Å²	42.4	16%	0.157	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.5	-177.2	-66.1	-100.6	0	0	0	113.6	K213 A230 Q231 V245 A314 N317 S318 V319	K213-Y215 WeakPolarHBondContact O-CE2 3.47Å; Y215-A230 WeakPolarHBondContact CA-O 3.14Å; Y215-Q231 HydrophobicContact CD1-CB 4.01Å; Y215-Q231 HydrophobicContact CD1-CG 4.39Å; Y215-Q231 HydrophobicContact CE1-CB 3.69Å; Y215-Q231 HydrophobicContact CE1-CG 4Å; Y215-Q231 HydrophobicContact CE2-CG 4.18Å; Y215-Q231 PolarHBondContact OH-NE2 2.95Å; Y215-V245 HydrophobicContact CD1-CG2 3.93Å; Y215-V245 HydrophobicContact CE1-CG2 3.65Å; Y215-A314 WeakPolarHBondContact CB-O 3.43Å; Y215-A314 HydrophobicContact CD1-CB 3.62Å; Y215-A314 HydrophobicContact CE1-CB 4.27Å; Y215-A314 HydrophobicContact CG-CB 3.81Å; Y215-N317 HydrophobicContact CD2-CB 3.73Å; Y215-N317 HydrophobicContact CE2-CB 4.03Å; Y215-N317 PolarHBondContact N-O 2.99Å; Y215-S318 WeakPolarHBondContact O-CA 3.17Å; Y215-V319 PolarHBondContact O-N 3.31Å
216	V	93.6	Very high	82	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.3	170.8	-68.9	0	0	0	0	109.8	F210 V218 P229 A230 I232 L242 I262 V319	F210-V216 HydrophobicContact CD1-CG1 4.25Å; F210-V216 HydrophobicContact CE1-CG1 3.94Å; V216-V218 HydrophobicContact CG2-CG2 4.07Å; V216-P229 CarbonylContact O-C 3.57Å; V216-P229 WeakPolarHBondContact O-CA 3.43Å; V216-A230 HydrophobicContact CG2-CB 4.41Å; V216-A230 PolarHBondContact N-O 2.78Å; V216-A230 PolarHBondContact O-N 2.88Å; V216-I232 HydrophobicContact CG1-CD1 4.2Å; V216-L242 HydrophobicContact CG2-CD1 4.27Å; V216-L242 HydrophobicContact CG2-CD2 3.74Å; V216-I262 HydrophobicContact CB-CG2 3.94Å; V216-I262 HydrophobicContact CG1-CG2 3.79Å; V216-I262 HydrophobicContact CG2-CG2 4.3Å; V216-V319 HydrophobicContact CG1-CG1 4.01Å; V216-V319 HydrophobicContact CG1-CG2 3.8Å
217	A	92.6	Very high	83.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.2	162.1	0	0	0	0	0	109.6	F227 W228 I263 I268 Y279	A217-F227 HydrophobicContact CB-CB 4.19Å; A217-F227 HydrophobicContact CB-CD1 4.23Å; A217-F227 HydrophobicContact CB-CG 4.49Å; A217-W228 WeakPolarHBondContact CA-O 3.43Å; A217-I263 HydrophobicContact CB-CG1 4.09Å; A217-I263 PolarHBondContact N-O 3Å; A217-I263 PolarHBondContact O-N 3.02Å; A217-I268 HydrophobicContact CB-CD1 3.77Å; A217-I268 HydrophobicContact CB-CG1 3.68Å; A217-Y279 HydrophobicContact CB-CE1 4.04Å
218	V	91.1	Very high	85	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123	-178.8	-176.4	0	0	0	0	109.7	V216 F227 W228 A230 L242 F253 L255 R261	V216-V218 HydrophobicContact CG2-CG2 4.07Å; V218-F227 CarbonylContact O-C 3.59Å; V218-F227 VanDerWaalsContact O-CA 3.24Å; V218-F227 WeakPolarHBondContact O-CA 3.19Å; V218-W228 HydrophobicContact CB-CD2 4.19Å; V218-W228 HydrophobicContact CB-CZ2 3.98Å; V218-W228 HydrophobicContact CG1-CH2 4.03Å; V218-W228 HydrophobicContact CG1-CZ2 3.54Å; V218-W228 PolarHBondContact N-O 3.35Å; V218-W228 PolarHBondContact O-N 2.94Å; V218-A230 HydrophobicContact CG2-CB 4.02Å; V218-L242 HydrophobicContact CG2-CD1 3.89Å; V218-F253 HydrophobicContact CG1-CE2 4.46Å; V218-F253 HydrophobicContact CG1-CZ 4.3Å; V218-F253 HydrophobicContact CG2-CZ 4.37Å; V218-L255 HydrophobicContact CG1-CD1 3.94Å; V218-R261 CarbonylContact C-O 3.48Å; V218-R261 WeakPolarHBondContact CA-O 2.93Å
219	E	89.7	Confident	86.2	Confident	22 Å²	22	31.9 Å²	31.9	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	144.3	-179.8	-159.3	-178.3	-148.6	0	0	112.1	P224 G225 F227 R261	E219-P224 VanDerWaalsContact OE1-CA 3.24Å; E219-P224 WeakPolarHBondContact OE1-CA 3.25Å; E219-P224 WeakPolarHBondContact OE1-CB 3.34Å; E219-G225 PolarHBondContact OE1-N 3.46Å; E219-F227 VanDerWaalsContact CA-CD1 3.48Å; E219-F227 HydrophobicContact CB-CD1 3.71Å; E219-F227 HydrophobicContact CB-CE1 3.46Å; E219-F227 VanDerWaalsContact CB-CE1 3.46Å; E219-F227 HydrophobicContact CB-CZ 4.21Å; E219-F227 HydrophobicContact CG-CD1 4.09Å; E219-F227 HydrophobicContact CG-CE1 3.64Å; E219-F227 HydrophobicContact CG-CZ 3.87Å; E219-R261 HydrophobicContact CB-CB 4Å; E219-R261 HydrophobicContact CB-CG 4.18Å; E219-R261 PolarHBondContact N-O 2.84Å; E219-R261 PolarHBondContact O-NE 3.1Å; E219-R261 PolarHBondContact O-NH2 2.95Å
220	S	84.3	Confident	87	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.			trans	-70.5	127.3	168.8	-179.9	0	0	0	0	112.5	V222 E223 N226	S220-V222 PolarHBondContact O-N 2.94Å; S220-V222 VanDerWaalsContact OG-CG2 3.28Å; S220-V222 WeakPolarHBondContact OG-CG2 3.5Å; S220-V222 PolarHBondContact OG-N 2.94Å; S220-E223 CarbonylContact O-C 3.55Å; S220-E223 PolarHBondContact OG-N 3.33Å; S220-N226 WeakPolarHBondContact CB-O 3.29Å; S220-N226 PolarHBondContact N-O 3.5Å
221	P	75.6	Confident	87.5	Confident	52 Å²	52	31.5 Å²	31.5	34%	0.338	15%	0.154	S	C	.	.	S	Bend	trans	-72.1	-9.7	174.1	31.7	-35.6	0	0	0	113.5
222	V	73.6	Confident	88.1	Confident	29 Å²	29	27.2 Å²	27.2	18%	0.176	13%	0.134	C	C	.	.	S	Bend	trans	-110.2	-26.1	179.1	-64.7	0	0	0	0	113.4	S220 P287 V347 F386	S220-V222 PolarHBondContact O-N 2.94Å; S220-V222 VanDerWaalsContact OG-CG2 3.28Å; S220-V222 WeakPolarHBondContact OG-CG2 3.5Å; S220-V222 PolarHBondContact OG-N 2.94Å; V222-P287 HydrophobicContact CG1-CB 4.41Å; V222-P287 HydrophobicContact CG1-CG 4.34Å; V222-V347 HydrophobicContact CG1-CG2 3.58Å; V222-F386 HydrophobicContact CB-CD1 4.39Å; V222-F386 HydrophobicContact CG1-CD1 4.47Å; V222-F386 HydrophobicContact CG1-CE1 4.25Å
223	E	80.9	Confident	88.3	Confident	69 Å²	69	25.8 Å²	25.8	32%	0.322	12%	0.122	S	C	.	.	S	Bend	trans	-129.5	71.7	171.1	-63.8	-168.6	112.7	0	0	112.4	S220 N226 K280 L285	S220-E223 CarbonylContact O-C 3.55Å; S220-E223 PolarHBondContact OG-N 3.33Å; E223-N226 HydrophobicContact CB-CB 4.27Å; E223-N226 VanDerWaalsContact CB-ND2 3.32Å; E223-N226 WeakPolarHBondContact CB-ND2 3.11Å; E223-N226 WeakPolarHBondContact O-CB 3.31Å; E223-N226 PolarHBondContact O-N 3.04Å; E223-N226 PolarHBondContact OE1-ND2 2.96Å; E223-N226 PolarHBondContact OE2-ND2 3.41Å; E223-K280 IonicContact OE1-NZ 2.71Å; E223-K280 PolarHBondContact OE1-NZ 3.22Å; E223-K280 IonicContact OE2-NZ 2.73Å; E223-K280 PolarHBondContact OE2-NZ 2.77Å; E223-L285 HydrophobicContact CB-CD2 4.23Å; E223-L285 HydrophobicContact CG-CD2 4.5Å; E223-L285 WeakPolarHBondContact OE2-CD2 3.41Å
224	P	86.9	Confident	88.3	Confident	8 Å²	8	25.8 Å²	25.8	5%	0.052	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45	141.1	172.6	-33	37	0	0	0	113.8	E219 N226 Y365 K387	E219-P224 VanDerWaalsContact OE1-CA 3.24Å; E219-P224 WeakPolarHBondContact OE1-CA 3.25Å; E219-P224 WeakPolarHBondContact OE1-CB 3.34Å; P224-N226 VanDerWaalsContact C-N 3.29Å; P224-Y365 HydrophobicContact CB-CD1 4.48Å; P224-Y365 HydrophobicContact CB-CE1 3.81Å; P224-K387 VanDerWaalsContact CD-O 3.23Å; P224-K387 WeakPolarHBondContact CD-O 3.27Å; P224-K387 WeakPolarHBondContact CG-O 3.47Å; P224-K387 WeakPolarHBondContact O-CD 3.33Å; P224-K387 WeakPolarHBondContact O-CE 3.5Å; P224-K387 PolarHBondContact O-NZ 3.48Å
225	G	87	Confident	87.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-5.3	-169.6	0	0	0	0	0	115.1	E219 F227 W277 Q278 Y365	E219-G225 PolarHBondContact OE1-N 3.46Å; G225-F227 VanDerWaalsContact C-CE2 3.48Å; G225-F227 WeakPolarHBondContact O-CD2 3.44Å; G225-F227 WeakPolarHBondContact O-CE2 3.28Å; G225-W277 WeakPolarHBondContact O-CA 3.41Å; G225-Q278 PolarHBondContact O-N 2.94Å; G225-Y365 VanDerWaalsContact CA-OH 3.22Å; G225-Y365 WeakPolarHBondContact CA-OH 3.1Å; G225-Y365 PolarHBondContact N-OH 3.11Å
226	N	88.6	Confident	86.9	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.3	167.6	-57.5	-18.3	0	0	0	108.8	S220 E223 P224 Q278 K280 L285	S220-N226 WeakPolarHBondContact CB-O 3.29Å; S220-N226 PolarHBondContact N-O 3.5Å; E223-N226 HydrophobicContact CB-CB 4.27Å; E223-N226 VanDerWaalsContact CB-ND2 3.32Å; E223-N226 WeakPolarHBondContact CB-ND2 3.11Å; E223-N226 WeakPolarHBondContact O-CB 3.31Å; E223-N226 PolarHBondContact O-N 3.04Å; E223-N226 PolarHBondContact OE1-ND2 2.96Å; E223-N226 PolarHBondContact OE2-ND2 3.41Å; P224-N226 VanDerWaalsContact C-N 3.29Å; N226-Q278 WeakPolarHBondContact OD1-CG 3.5Å; N226-Q278 PolarHBondContact OD1-NE2 2.91Å; N226-K280 HydrophobicContact CB-CD 4.06Å; N226-K280 HydrophobicContact CB-CG 4.4Å; N226-K280 WeakPolarHBondContact ND2-CE 3.43Å; N226-K280 PolarHBondContact ND2-NZ 3.08Å; N226-K280 VanDerWaalsContact ND2-NZ 3.13Å; N226-L285 HydrophobicContact CB-CD1 4.14Å; N226-L285 HydrophobicContact CB-CD2 4.05Å
227	F	90.7	Very high	85.9	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	162.3	-172	-59.3	-100.7	0	0	0	112	A217 V218 E219 G225 I263 I268 W277 Q278 Y279 K280	A217-F227 HydrophobicContact CB-CB 4.19Å; A217-F227 HydrophobicContact CB-CD1 4.23Å; A217-F227 HydrophobicContact CB-CG 4.49Å; V218-F227 CarbonylContact O-C 3.59Å; V218-F227 VanDerWaalsContact O-CA 3.24Å; V218-F227 WeakPolarHBondContact O-CA 3.19Å; E219-F227 VanDerWaalsContact CA-CD1 3.48Å; E219-F227 HydrophobicContact CB-CD1 3.71Å; E219-F227 HydrophobicContact CB-CE1 3.46Å; E219-F227 VanDerWaalsContact CB-CE1 3.46Å; E219-F227 HydrophobicContact CB-CZ 4.21Å; E219-F227 HydrophobicContact CG-CD1 4.09Å; E219-F227 HydrophobicContact CG-CE1 3.64Å; E219-F227 HydrophobicContact CG-CZ 3.87Å; G225-F227 VanDerWaalsContact C-CE2 3.48Å; G225-F227 WeakPolarHBondContact O-CD2 3.44Å; G225-F227 WeakPolarHBondContact O-CE2 3.28Å; F227-I263 HydrophobicContact CD1-CD1 3.95Å; F227-I263 HydrophobicContact CD1-CG1 4.14Å; F227-I263 HydrophobicContact CE1-CD1 3.33Å; F227-I263 HydrophobicContact CE1-CG1 3.77Å; F227-I263 HydrophobicContact CE2-CD1 4.49Å; F227-I263 HydrophobicContact CZ-CD1 3.66Å; F227-I268 HydrophobicContact CB-CD1 3.95Å; F227-I268 HydrophobicContact CB-CG1 4.44Å; F227-I268 HydrophobicContact CD1-CD1 3.85Å; F227-I268 HydrophobicContact CD2-CD1 3.45Å; F227-I268 VanDerWaalsContact CD2-CD1 3.45Å; F227-I268 HydrophobicContact CE1-CD1 4.18Å; F227-I268 HydrophobicContact CE2-CD1 3.8Å; F227-I268 HydrophobicContact CG-CD1 3.48Å; F227-I268 VanDerWaalsContact CG-CD1 3.48Å; F227-I268 HydrophobicContact CG-CG1 4.46Å; F227-I268 HydrophobicContact CZ-CD1 4.17Å; F227-W277 HydrophobicContact CD2-CB 4.49Å; F227-W277 HydrophobicContact CE2-CB 4.03Å; F227-W277 AromaticContact CE2-CD2 3.61Å; F227-W277 HydrophobicContact CE2-CD2 3.61Å; F227-W277 AromaticContact CE2-CE3 3.92Å; F227-W277 HydrophobicContact CE2-CE3 3.92Å; F227-W277 AromaticContact CE2-CG 3.65Å; F227-W277 HydrophobicContact CE2-CG 3.65Å; F227-W277 AromaticContact CZ-CD2 3.87Å; F227-W277 HydrophobicContact CZ-CD2 3.87Å; F227-W277 AromaticContact CZ-CE3 3.98Å; F227-W277 HydrophobicContact CZ-CE3 3.98Å; F227-W277 HydrophobicContact CZ-CG 4.36Å; F227-W277 HydrophobicContact CZ-CH2 4.48Å; F227-W277 HydrophobicContact CZ-CZ2 4.33Å; F227-W277 HydrophobicContact CZ-CZ3 4.31Å; F227-Q278 PolarHBondContact N-O 3.41Å; F227-Y279 HydrophobicContact CB-CD1 4.31Å; F227-Y279 HydrophobicContact CB-CE1 4.4Å; F227-Y279 CarbonylContact O-C 3.58Å; F227-Y279 WeakPolarHBondContact O-CA 3.39Å; F227-K280 PolarHBondContact O-N 3Å; F227-K280 VanDerWaalsContact O-O 3.11Å
228	W	88.8	Confident	85.1	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147	161.6	62.1	92.6	0	0	0	110.2	A217 V218 F253 A282 L285 F286	A217-W228 WeakPolarHBondContact CA-O 3.43Å; V218-W228 HydrophobicContact CB-CD2 4.19Å; V218-W228 HydrophobicContact CB-CZ2 3.98Å; V218-W228 HydrophobicContact CG1-CH2 4.03Å; V218-W228 HydrophobicContact CG1-CZ2 3.54Å; V218-W228 PolarHBondContact N-O 3.35Å; V218-W228 PolarHBondContact O-N 2.94Å; W228-F253 HydrophobicContact CZ2-CE1 4.41Å; W228-F253 AromaticContact CZ2-CZ 3.93Å; W228-F253 HydrophobicContact CZ2-CZ 3.93Å; W228-F253 AromaticContact NE1-CE1 3.83Å; W228-F253 AromaticContact NE1-CZ 3.68Å; W228-A282 HydrophobicContact CB-CB 3.88Å; W228-A282 HydrophobicContact CD2-CB 3.77Å; W228-A282 HydrophobicContact CE3-CB 4.42Å; W228-A282 HydrophobicContact CG-CB 3.51Å; W228-L285 HydrophobicContact CE3-CB 4.12Å; W228-L285 HydrophobicContact CE3-CD1 3.64Å; W228-L285 HydrophobicContact CZ3-CB 3.88Å; W228-L285 HydrophobicContact CZ3-CD1 4.01Å; W228-F286 HydrophobicContact CZ2-CE1 4.35Å; W228-F286 HydrophobicContact CZ2-CZ 4.09Å
229	P	91.1	Very high	84.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.4	170.3	25	-18.1	0	0	0	109.4	V216 V245 Y279 W302 A314	V216-P229 CarbonylContact O-C 3.57Å; V216-P229 WeakPolarHBondContact O-CA 3.43Å; P229-V245 HydrophobicContact CB-CB 4.49Å; P229-V245 HydrophobicContact CB-CG2 4.07Å; P229-V245 HydrophobicContact CG-CB 4.1Å; P229-V245 HydrophobicContact CG-CG2 4.21Å; P229-V245 WeakPolarHBondContact O-CG2 3.35Å; P229-V245 PolarHBondContact O-N 3.17Å; P229-Y279 HydrophobicContact CB-CE1 4.01Å; P229-Y279 HydrophobicContact CG-CD1 4.23Å; P229-Y279 HydrophobicContact CG-CE1 3.94Å; P229-W302 HydrophobicContact CG-CH2 4.31Å; P229-W302 HydrophobicContact CG-CZ2 4.22Å; P229-A314 HydrophobicContact CB-CB 3.62Å; P229-A314 HydrophobicContact CG-CB 4.34Å
230	A	90.9	Very high	84.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140	173.9	0	0	0	0	0	110.2	Y215 V216 V218 L242 Q243	Y215-A230 WeakPolarHBondContact CA-O 3.14Å; V216-A230 HydrophobicContact CG2-CB 4.41Å; V216-A230 PolarHBondContact N-O 2.78Å; V216-A230 PolarHBondContact O-N 2.88Å; V218-A230 HydrophobicContact CG2-CB 4.02Å; A230-L242 HydrophobicContact CB-CB 4.07Å; A230-Q243 CarbonylContact C-O 3.54Å; A230-Q243 WeakPolarHBondContact CA-O 3.21Å; A230-Q243 WeakPolarHBondContact CB-O 3.49Å
231	Q	92.3	Very high	85.2	Confident	49 Å²	49	29.9 Å²	29.9	23%	0.229	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.8	174.8	-164.6	177.6	36.8	0	0	110.2	K213 R214 Y215 L233 L242 Q243	K213-Q231 WeakPolarHBondContact O-CG 3.29Å; K213-Q231 PolarHBondContact O-NE2 3.43Å; R214-Q231 WeakPolarHBondContact O-CA 3.47Å; Y215-Q231 HydrophobicContact CD1-CB 4.01Å; Y215-Q231 HydrophobicContact CD1-CG 4.39Å; Y215-Q231 HydrophobicContact CE1-CB 3.69Å; Y215-Q231 HydrophobicContact CE1-CG 4Å; Y215-Q231 HydrophobicContact CE2-CG 4.18Å; Y215-Q231 PolarHBondContact OH-NE2 2.95Å; Q231-L233 PolarHBondContact O-N 2.61Å; Q231-L242 WeakPolarHBondContact O-CA 3.2Å; Q231-Q243 PolarHBondContact N-O 3.39Å; Q231-Q243 PolarHBondContact O-N 2.86Å
232	I	93.1	Very high	85.9	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	110.7	171.8	-57.3	167.2	0	0	0	108.2	F210 K213 R214 V216 L240 L242 V319	F210-I232 HydrophobicContact CB-CD1 4.08Å; F210-I232 HydrophobicContact CD1-CD1 3.72Å; F210-I232 HydrophobicContact CG-CD1 4.39Å; K213-I232 PolarHBondContact N-O 2.62Å; R214-I232 HydrophobicContact CB-CD1 4.19Å; R214-I232 PolarHBondContact O-N 3.07Å; V216-I232 HydrophobicContact CG1-CD1 4.2Å; I232-L240 HydrophobicContact CD1-CD2 4.47Å; I232-L240 HydrophobicContact CG1-CD2 4.45Å; I232-L240 HydrophobicContact CG2-CD2 3.83Å; I232-L242 HydrophobicContact CG1-CD2 3.92Å; I232-V319 HydrophobicContact CD1-CG1 3.8Å
233	L	90.1	Very high	86.6	Confident	48 Å²	48	27.8 Å²	27.8	25%	0.251	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-39.9	174.4	-63.2	-170	0	0	0	111.9	Q231 L241 Q243 A252	Q231-L233 PolarHBondContact O-N 2.61Å; L233-L241 HydrophobicContact CB-CB 4.33Å; L233-L241 HydrophobicContact CB-CD2 4.09Å; L233-L241 HydrophobicContact CB-CG 4.04Å; L233-L241 HydrophobicContact CD1-CD2 4.2Å; L233-L241 HydrophobicContact CD1-CG 4.24Å; L233-L241 PolarHBondContact N-O 3.08Å; L233-Q243 HydrophobicContact CD1-CB 3.89Å; L233-Q243 HydrophobicContact CD2-CB 4.16Å; L233-Q243 HydrophobicContact CG-CB 3.93Å; L233-A252 HydrophobicContact CD1-CB 4.28Å
234	R	86.4	Confident	86.9	Confident	134 Å²	134	24.5 Å²	24.5	51%	0.506	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.5	179.5	-65.1	-173.9	174.8	161.2	0.7	110.7	L240 L241 W254	R234-L240 WeakPolarHBondContact O-CA 3.44Å; R234-L241 HydrophobicContact CB-CB 4.12Å; R234-L241 PolarHBondContact O-N 3.47Å; R234-W254 HydrophobicContact CB-CH2 4.38Å
235	F	83.8	Confident	86.8	Confident	71 Å²	71	25 Å²	25	31%	0.311	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131	162.5	174.1	-103.3	0	0	0	108.7	C207 G238 R239 L240 C257	C207-F235 HydrophobicContact CB-CE1 4.25Å; C207-F235 HydrophobicContact CB-CE2 4.16Å; C207-F235 HydrophobicContact CB-CZ 3.54Å; F235-G238 VanDerWaalsContact CE2-CA 3.49Å; F235-R239 CarbonylContact C-O 3.59Å; F235-R239 WeakPolarHBondContact CA-O 3.3Å; F235-R239 WeakPolarHBondContact CD2-O 3.25Å; F235-L240 HydrophobicContact CB-CD2 4.12Å; F235-L240 HydrophobicContact CD2-CD2 3.7Å; F235-L240 HydrophobicContact CD2-CG 4.33Å; F235-L240 HydrophobicContact CG-CD2 4.4Å; F235-C257 HydrophobicContact CE2-CB 4.28Å
236	V	74.6	Confident	86.2	Confident	43 Å²	43	26.3 Å²	26.3	26%	0.261	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	114.6	177.7	179.9	0	0	0	0	107.5	G238 R239 W254	V236-G238 VanDerWaalsContact C-N 3.34Å; V236-G238 PolarHBondContact O-N 3.21Å; V236-G238 VanDerWaalsContact O-N 3.08Å; V236-R239 PolarHBondContact N-O 3.01Å; V236-R239 WeakPolarHBondContact O-CA 3.26Å; V236-R239 WeakPolarHBondContact O-CB 3.36Å; V236-R239 PolarHBondContact O-N 3.07Å; V236-W254 HydrophobicContact CB-CH2 4.39Å; V236-W254 HydrophobicContact CB-CZ3 4.32Å; V236-W254 HydrophobicContact CG2-CH2 3.96Å; V236-W254 HydrophobicContact CG2-CZ3 4.31Å
237	H	70.8	Confident	85.5	Confident	103 Å²	103	26.8 Å²	26.8	48%	0.477	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.6	52.1	170.6	-58.2	108.8	0	0	0	115.1	W501 V505	H237-W501 HydrophobicContact CB-CZ2 4.11Å; H237-W501 WeakPolarHBondContact O-CZ2 3.37Å; H237-V505 HydrophobicContact CB-CB 4.37Å; H237-V505 HydrophobicContact CB-CG1 3.54Å; H237-V505 WeakPolarHBondContact ND1-CB 3.21Å; H237-V505 WeakPolarHBondContact ND1-CG1 3.37Å
238	G	77.4	Confident	84.5	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	13.2	179.2	0	0	0	0	0	115.5	F235 V236 S256 C257	F235-G238 VanDerWaalsContact CE2-CA 3.49Å; V236-G238 VanDerWaalsContact C-N 3.34Å; V236-G238 PolarHBondContact O-N 3.21Å; V236-G238 VanDerWaalsContact O-N 3.08Å; G238-S256 CarbonylContact O-C 3.48Å; G238-S256 VanDerWaalsContact O-CA 3.32Å; G238-S256 WeakPolarHBondContact O-CA 3.46Å; G238-S256 PolarHBondContact O-OG 2.89Å; G238-S256 VanDerWaalsContact O-OG 3.12Å; G238-C257 VanDerWaalsContact CA-SG 3.57Å; G238-C257 PolarHBondContact O-N 3.07Å; G238-C257 PolarHBondContact O-SG 3.14Å; G238-C257 VanDerWaalsContact O-SG 3.34Å
239	R	85.9	Confident	83.8	Confident	3 Å²	3	34 Å²	34	1%	0.011	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.6	176.9	-60.8	174.3	60.7	71.3	-1.4	110.6	F235 V236 W254 L255 A451 D458 Y497	F235-R239 CarbonylContact C-O 3.59Å; F235-R239 WeakPolarHBondContact CA-O 3.3Å; F235-R239 WeakPolarHBondContact CD2-O 3.25Å; V236-R239 PolarHBondContact N-O 3.01Å; V236-R239 WeakPolarHBondContact O-CA 3.26Å; V236-R239 WeakPolarHBondContact O-CB 3.36Å; V236-R239 PolarHBondContact O-N 3.07Å; R239-W254 HydrophobicContact CB-CE3 3.95Å; R239-W254 HydrophobicContact CB-CZ3 4.18Å; R239-L255 CarbonylContact C-O 3.53Å; R239-L255 WeakPolarHBondContact CA-O 3.32Å; R239-A451 VanDerWaalsContact NH1-CB 3.3Å; R239-D458 VanDerWaalsContact CD-OD2 3.3Å; R239-D458 WeakPolarHBondContact CD-OD2 3.45Å; R239-D458 IonicContact CZ-OD1 2.77Å; R239-D458 IonicContact CZ-OD2 3.65Å; R239-D458 VanDerWaalsContact NE-CG 3.25Å; R239-D458 IonicContact NE-OD1 3.61Å; R239-D458 PolarHBondContact NE-OD1 2.78Å; R239-D458 IonicContact NE-OD2 3.34Å; R239-D458 PolarHBondContact NE-OD2 2.88Å; R239-D458 IonicContact NH2-OD1 3.72Å; R239-D458 PolarHBondContact NH2-OD1 2.87Å; R239-Y497 WeakPolarHBondContact CD-OH 3.46Å; R239-Y497 WeakPolarHBondContact CG-OH 3.24Å; R239-Y497 PolarHBondContact NH1-OH 3.36Å
240	L	89.3	Confident	82.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125	-174.9	-65.5	165	0	0	0	109.6	F210 I232 R234 F235 L242 W254 L255 C257 I262	F210-L240 HydrophobicContact CB-CD2 3.68Å; F210-L240 HydrophobicContact CD1-CD1 3.62Å; F210-L240 HydrophobicContact CD1-CD2 4.02Å; F210-L240 HydrophobicContact CD1-CG 4.48Å; F210-L240 HydrophobicContact CD2-CD1 4.48Å; F210-L240 HydrophobicContact CE1-CD1 3.64Å; F210-L240 HydrophobicContact CG-CD1 4.06Å; F210-L240 HydrophobicContact CG-CD2 3.89Å; F210-L240 HydrophobicContact CZ-CD1 4.1Å; I232-L240 HydrophobicContact CD1-CD2 4.47Å; I232-L240 HydrophobicContact CG1-CD2 4.45Å; I232-L240 HydrophobicContact CG2-CD2 3.83Å; R234-L240 WeakPolarHBondContact O-CA 3.44Å; F235-L240 HydrophobicContact CB-CD2 4.12Å; F235-L240 HydrophobicContact CD2-CD2 3.7Å; F235-L240 HydrophobicContact CD2-CG 4.33Å; F235-L240 HydrophobicContact CG-CD2 4.4Å; L240-L242 HydrophobicContact CB-CD2 3.93Å; L240-L242 HydrophobicContact CB-CG 3.99Å; L240-W254 WeakPolarHBondContact O-CA 3.27Å; L240-L255 PolarHBondContact N-O 2.93Å; L240-L255 PolarHBondContact O-N 3.18Å; L240-L255 VanDerWaalsContact O-N 3.07Å; L240-C257 HydrophobicContact CD1-CB 3.73Å; L240-C257 HydrophobicContact CG-CB 4.02Å; L240-I262 HydrophobicContact CD1-CD1 3.85Å
241	L	90.7	Very high	82	Confident	8 Å²	8	38.5 Å²	38.5	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.6	165.2	179.8	58.6	0	0	0	108	L233 R234 A252 W254	L233-L241 HydrophobicContact CB-CB 4.33Å; L233-L241 HydrophobicContact CB-CD2 4.09Å; L233-L241 HydrophobicContact CB-CG 4.04Å; L233-L241 HydrophobicContact CD1-CD2 4.2Å; L233-L241 HydrophobicContact CD1-CG 4.24Å; L233-L241 PolarHBondContact N-O 3.08Å; R234-L241 HydrophobicContact CB-CB 4.12Å; R234-L241 PolarHBondContact O-N 3.47Å; L241-A252 HydrophobicContact CD1-CB 3.85Å; L241-A252 HydrophobicContact CG-CB 4.46Å; L241-W254 HydrophobicContact CB-CD2 4.03Å; L241-W254 HydrophobicContact CB-CE3 4Å; L241-W254 HydrophobicContact CB-CH2 3.76Å; L241-W254 HydrophobicContact CB-CZ2 3.75Å; L241-W254 HydrophobicContact CB-CZ3 3.88Å; L241-W254 HydrophobicContact CD1-CD2 4.25Å; L241-W254 HydrophobicContact CD1-CG 4.38Å; L241-W254 HydrophobicContact CD1-CZ2 4.33Å; L241-W254 HydrophobicContact CD2-CZ2 4.16Å; L241-W254 HydrophobicContact CG-CZ2 4.29Å
242	L	91.1	Very high	81.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.6	-173.3	-63.3	178	0	0	0	110.3	V216 V218 A230 Q231 I232 L240 A252 F253 L255 I262	V216-L242 HydrophobicContact CG2-CD1 4.27Å; V216-L242 HydrophobicContact CG2-CD2 3.74Å; V218-L242 HydrophobicContact CG2-CD1 3.89Å; A230-L242 HydrophobicContact CB-CB 4.07Å; Q231-L242 WeakPolarHBondContact O-CA 3.2Å; I232-L242 HydrophobicContact CG1-CD2 3.92Å; L240-L242 HydrophobicContact CB-CD2 3.93Å; L240-L242 HydrophobicContact CB-CG 3.99Å; L242-A252 VanDerWaalsContact O-CA 3.3Å; L242-A252 WeakPolarHBondContact O-CA 3.29Å; L242-F253 HydrophobicContact CB-CE1 4.23Å; L242-F253 HydrophobicContact CB-CE2 4.07Å; L242-F253 HydrophobicContact CB-CZ 3.92Å; L242-F253 HydrophobicContact CD1-CE2 4.03Å; L242-F253 HydrophobicContact CD1-CZ 4.28Å; L242-F253 PolarHBondContact N-O 3.37Å; L242-F253 WeakPolarHBondContact O-CD1 3.5Å; L242-F253 PolarHBondContact O-N 3.02Å; L242-L255 HydrophobicContact CD1-CB 4.32Å; L242-L255 HydrophobicContact CD1-CD1 4.11Å; L242-L255 HydrophobicContact CD1-CG 4.46Å; L242-I262 HydrophobicContact CD1-CD1 4.09Å
243	Q	87.8	Confident	81.2	Confident	38 Å²	38	37.2 Å²	37.2	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.6	169.3	-176.1	173.5	-10.2	0	0	109.8	A230 Q231 L233 V245 C247 A252	A230-Q243 CarbonylContact C-O 3.54Å; A230-Q243 WeakPolarHBondContact CA-O 3.21Å; A230-Q243 WeakPolarHBondContact CB-O 3.49Å; Q231-Q243 PolarHBondContact N-O 3.39Å; Q231-Q243 PolarHBondContact O-N 2.86Å; L233-Q243 HydrophobicContact CD1-CB 3.89Å; L233-Q243 HydrophobicContact CD2-CB 4.16Å; L233-Q243 HydrophobicContact CG-CB 3.93Å; Q243-V245 PolarHBondContact O-N 2.94Å; Q243-C247 PolarHBondContact NE2-O 3.33Å; Q243-C247 VanDerWaalsContact NE2-O 3.09Å; Q243-A252 HydrophobicContact CB-CB 4.41Å
244	P	87.5	Confident	81.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.4	176.1	21.4	-23.8	0	0	0	110.9	C247 N251 F253 A282 F286	P244-C247 HydrophobicContact CB-CB 4.27Å; P244-C247 HydrophobicContact CG-CB 3.8Å; P244-C247 VanDerWaalsContact O-CB 3.26Å; P244-C247 WeakPolarHBondContact O-CB 3.25Å; P244-C247 PolarHBondContact O-N 2.85Å; P244-N251 VanDerWaalsContact CD-O 3.25Å; P244-N251 WeakPolarHBondContact CD-O 3.46Å; P244-N251 HydrophobicContact CG-CB 4.36Å; P244-N251 WeakPolarHBondContact CG-O 3.32Å; P244-F253 HydrophobicContact CB-CE1 4.33Å; P244-F253 HydrophobicContact CG-CD1 4.32Å; P244-F253 HydrophobicContact CG-CE1 3.97Å; P244-A282 HydrophobicContact CB-CB 3.81Å; P244-F286 HydrophobicContact CG-CE2 4.38Å
245	V	84.2	Confident	81.2	Confident	18 Å²	18	29.6 Å²	29.6	11%	0.109	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	137.9	-174.5	177.1	0	0	0	0	110.9	Y215 P229 Q243 C247 L310	Y215-V245 HydrophobicContact CD1-CG2 3.93Å; Y215-V245 HydrophobicContact CE1-CG2 3.65Å; P229-V245 HydrophobicContact CB-CB 4.49Å; P229-V245 HydrophobicContact CB-CG2 4.07Å; P229-V245 HydrophobicContact CG-CB 4.1Å; P229-V245 HydrophobicContact CG-CG2 4.21Å; P229-V245 WeakPolarHBondContact O-CG2 3.35Å; P229-V245 PolarHBondContact O-N 3.17Å; Q243-V245 PolarHBondContact O-N 2.94Å; V245-C247 VanDerWaalsContact C-N 3.27Å; V245-C247 PolarHBondContact O-N 3.31Å; V245-L310 HydrophobicContact CG1-CB 3.92Å; V245-L310 HydrophobicContact CG1-CD1 4.24Å; V245-L310 HydrophobicContact CG1-CD2 4.27Å; V245-L310 HydrophobicContact CG1-CG 4.38Å
246	G	74.7	Confident	81.3	Confident	28 Å²	28	26.3 Å²	26.3	29%	0.289	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	8.5	-173.9	0	0	0	0	0	114.8
247	C	74.1	Confident	81.9	Confident	12 Å²	12	24.5 Å²	24.5	8%	0.081	15%	0.149	C	C	.	.	S	Bend	trans	-112.5	153.2	177.4	-57.3	0	0	0	0	112.2	Q243 P244 V245 N251	Q243-C247 PolarHBondContact NE2-O 3.33Å; Q243-C247 VanDerWaalsContact NE2-O 3.09Å; P244-C247 HydrophobicContact CB-CB 4.27Å; P244-C247 HydrophobicContact CG-CB 3.8Å; P244-C247 VanDerWaalsContact O-CB 3.26Å; P244-C247 WeakPolarHBondContact O-CB 3.25Å; P244-C247 PolarHBondContact O-N 2.85Å; V245-C247 VanDerWaalsContact C-N 3.27Å; V245-C247 PolarHBondContact O-N 3.31Å; C247-N251 HydrophobicContact CB-CB 4Å
248	L	70.4	Confident	82.4	Confident	73 Å²	73	21.7 Å²	21.7	38%	0.382	14%	0.136	S	C	.	.			trans	-59.9	151.2	174.3	-61.8	-179.6	0	0	0	111.7	A250 N251 Q296	L248-A250 PolarHBondContact O-N 3.49Å; L248-A250 VanDerWaalsContact O-N 3.14Å; L248-N251 WeakPolarHBondContact O-CB 3.47Å; L248-N251 PolarHBondContact O-N 2.97Å; L248-Q296 HydrophobicContact CD1-CB 3.9Å; L248-Q296 HydrophobicContact CD1-CG 4.27Å
249	P	74.1	Confident	82.8	Confident	85 Å²	85	22.1 Å²	22.1	55%	0.552	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-57.6	-27	176.2	-26.3	35.3	0	0	0	114.4	N251 A252	P249-N251 PolarHBondContact O-N 2.84Å; P249-A252 VanDerWaalsContact O-CB 3.26Å; P249-A252 WeakPolarHBondContact O-CB 3.39Å; P249-A252 PolarHBondContact O-N 3.28Å
250	A	69.9	Low	82.6	Confident	81 Å²	81	26.7 Å²	26.7	67%	0.669	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-64	-16.2	173.1	0	0	0	0	0	113.8	L248 A252	L248-A250 PolarHBondContact O-N 3.49Å; L248-A250 VanDerWaalsContact O-N 3.14Å; A250-A252 VanDerWaalsContact C-N 3.34Å
251	N	73.1	Confident	82.5	Confident	14 Å²	14	29.3 Å²	29.3	8%	0.075	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-92.5	10.3	174.8	-60.3	-5.2	0	0	0	112.4	P244 C247 L248 P249 M293	P244-N251 VanDerWaalsContact CD-O 3.25Å; P244-N251 WeakPolarHBondContact CD-O 3.46Å; P244-N251 HydrophobicContact CG-CB 4.36Å; P244-N251 WeakPolarHBondContact CG-O 3.32Å; C247-N251 HydrophobicContact CB-CB 4Å; L248-N251 WeakPolarHBondContact O-CB 3.47Å; L248-N251 PolarHBondContact O-N 2.97Å; P249-N251 PolarHBondContact O-N 2.84Å; N251-M293 HydrophobicContact CB-CE 4.39Å; N251-M293 WeakPolarHBondContact OD1-CE 3.43Å
252	A	83	Confident	82.4	Confident	6 Å²	6	29 Å²	29	5%	0.05	16%	0.164	C	C	.	.			trans	-67.1	145.9	170.1	0	0	0	0	0	110.9	L233 L241 L242 Q243 P249 A250	L233-A252 HydrophobicContact CD1-CB 4.28Å; L241-A252 HydrophobicContact CD1-CB 3.85Å; L241-A252 HydrophobicContact CG-CB 4.46Å; L242-A252 VanDerWaalsContact O-CA 3.3Å; L242-A252 WeakPolarHBondContact O-CA 3.29Å; Q243-A252 HydrophobicContact CB-CB 4.41Å; P249-A252 VanDerWaalsContact O-CB 3.26Å; P249-A252 WeakPolarHBondContact O-CB 3.39Å; P249-A252 PolarHBondContact O-N 3.28Å; A250-A252 VanDerWaalsContact C-N 3.34Å
253	F	86.6	Confident	82.4	Confident	17 Å²	17	29.2 Å²	29.2	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.9	-173.5	63.5	-87.5	0	0	0	111.2	V218 W228 L242 P244 L255 F286 G453	V218-F253 HydrophobicContact CG1-CE2 4.46Å; V218-F253 HydrophobicContact CG1-CZ 4.3Å; V218-F253 HydrophobicContact CG2-CZ 4.37Å; W228-F253 HydrophobicContact CZ2-CE1 4.41Å; W228-F253 AromaticContact CZ2-CZ 3.93Å; W228-F253 HydrophobicContact CZ2-CZ 3.93Å; W228-F253 AromaticContact NE1-CE1 3.83Å; W228-F253 AromaticContact NE1-CZ 3.68Å; L242-F253 HydrophobicContact CB-CE1 4.23Å; L242-F253 HydrophobicContact CB-CE2 4.07Å; L242-F253 HydrophobicContact CB-CZ 3.92Å; L242-F253 HydrophobicContact CD1-CE2 4.03Å; L242-F253 HydrophobicContact CD1-CZ 4.28Å; L242-F253 PolarHBondContact N-O 3.37Å; L242-F253 WeakPolarHBondContact O-CD1 3.5Å; L242-F253 PolarHBondContact O-N 3.02Å; P244-F253 HydrophobicContact CB-CE1 4.33Å; P244-F253 HydrophobicContact CG-CD1 4.32Å; P244-F253 HydrophobicContact CG-CE1 3.97Å; F253-L255 HydrophobicContact CD2-CG 4.08Å; F253-L255 HydrophobicContact CE2-CD1 3.8Å; F253-L255 HydrophobicContact CE2-CG 3.85Å; F253-F286 AromaticContact CD1-CZ 3.83Å; F253-F286 HydrophobicContact CD1-CZ 3.83Å; F253-F286 AromaticContact CE1-CZ 3.84Å; F253-F286 HydrophobicContact CE1-CZ 3.84Å; F253-G453 WeakPolarHBondContact CB-O 3.3Å
254	W	87.9	Confident	82.6	Confident	10 Å²	10	27.4 Å²	27.4	4%	0.038	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.7	178	-69.2	94.3	0	0	0	112.4	R234 V236 R239 L240 L241 G453 V457 D458	R234-W254 HydrophobicContact CB-CH2 4.38Å; V236-W254 HydrophobicContact CB-CH2 4.39Å; V236-W254 HydrophobicContact CB-CZ3 4.32Å; V236-W254 HydrophobicContact CG2-CH2 3.96Å; V236-W254 HydrophobicContact CG2-CZ3 4.31Å; R239-W254 HydrophobicContact CB-CE3 3.95Å; R239-W254 HydrophobicContact CB-CZ3 4.18Å; L240-W254 WeakPolarHBondContact O-CA 3.27Å; L241-W254 HydrophobicContact CB-CD2 4.03Å; L241-W254 HydrophobicContact CB-CE3 4Å; L241-W254 HydrophobicContact CB-CH2 3.76Å; L241-W254 HydrophobicContact CB-CZ2 3.75Å; L241-W254 HydrophobicContact CB-CZ3 3.88Å; L241-W254 HydrophobicContact CD1-CD2 4.25Å; L241-W254 HydrophobicContact CD1-CG 4.38Å; L241-W254 HydrophobicContact CD1-CZ2 4.33Å; L241-W254 HydrophobicContact CD2-CZ2 4.16Å; L241-W254 HydrophobicContact CG-CZ2 4.29Å; W254-G453 PolarHBondContact N-O 2.98Å; W254-V457 VanDerWaalsContact CD1-O 3.32Å; W254-V457 PolarHBondContact NE1-O 2.83Å; W254-D458 HydrophobicContact CD2-CB 4.02Å; W254-D458 HydrophobicContact CE3-CB 4.42Å; W254-D458 HydrophobicContact CH2-CB 4.05Å; W254-D458 HydrophobicContact CZ2-CB 3.62Å; W254-D458 HydrophobicContact CZ3-CB 4.43Å
255	L	88.5	Confident	82.8	Confident	12 Å²	12	27.4 Å²	27.4	6%	0.063	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.5	163.8	-73.5	-178.5	0	0	0	110.2	V218 R239 L240 L242 F253 I262	V218-L255 HydrophobicContact CG1-CD1 3.94Å; R239-L255 CarbonylContact C-O 3.53Å; R239-L255 WeakPolarHBondContact CA-O 3.32Å; L240-L255 PolarHBondContact N-O 2.93Å; L240-L255 PolarHBondContact O-N 3.18Å; L240-L255 VanDerWaalsContact O-N 3.07Å; L242-L255 HydrophobicContact CD1-CB 4.32Å; L242-L255 HydrophobicContact CD1-CD1 4.11Å; L242-L255 HydrophobicContact CD1-CG 4.46Å; F253-L255 HydrophobicContact CD2-CG 4.08Å; F253-L255 HydrophobicContact CE2-CD1 3.8Å; F253-L255 HydrophobicContact CE2-CG 3.85Å; L255-I262 HydrophobicContact CB-CD1 3.92Å; L255-I262 HydrophobicContact CD1-CD1 4.06Å; L255-I262 HydrophobicContact CD1-CG1 4.06Å
256	S	86.9	Confident	83.1	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.8	163.7	179.5	0	0	0	0	110.6	G238 F258 S259 I262	G238-S256 CarbonylContact O-C 3.48Å; G238-S256 VanDerWaalsContact O-CA 3.32Å; G238-S256 WeakPolarHBondContact O-CA 3.46Å; G238-S256 PolarHBondContact O-OG 2.89Å; G238-S256 VanDerWaalsContact O-OG 3.12Å; S256-F258 PolarHBondContact O-N 3.5Å; S256-F258 PolarHBondContact OG-N 3.48Å; S256-S259 WeakPolarHBondContact O-CB 3.43Å; S256-S259 PolarHBondContact O-N 2.86Å; S256-I262 WeakPolarHBondContact O-CD1 3.41Å
257	C	85.5	Confident	83.8	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.034	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.7	172.4	68.8	0	0	0	0	113.6	C207 F210 F235 G238 L240	C207-C257 VanDerWaalsContact SG-SG 3.66Å; F210-C257 HydrophobicContact CD2-CB 3.84Å; F210-C257 HydrophobicContact CE2-CB 3.5Å; F210-C257 HydrophobicContact CZ-CB 3.99Å; F235-C257 HydrophobicContact CE2-CB 4.28Å; G238-C257 VanDerWaalsContact CA-SG 3.57Å; G238-C257 PolarHBondContact O-N 3.07Å; G238-C257 PolarHBondContact O-SG 3.14Å; G238-C257 VanDerWaalsContact O-SG 3.34Å; L240-C257 HydrophobicContact CD1-CB 3.73Å; L240-C257 HydrophobicContact CG-CB 4.02Å
258	F	82.5	Confident	84.5	Confident	44 Å²	44	25.9 Å²	25.9	19%	0.193	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	2.4	172.4	-60.8	-84.4	0	0	0	113.4	H83 A86 L87 P206 S256 R260 T494	H83-F258 HydrophobicContact CB-CB 3.76Å; H83-F258 HydrophobicContact CB-CD2 3.81Å; H83-F258 HydrophobicContact CB-CG 3.78Å; H83-F258 WeakPolarHBondContact O-CE2 3.23Å; A86-F258 HydrophobicContact CB-CD1 4.3Å; A86-F258 HydrophobicContact CB-CE1 3.41Å; A86-F258 VanDerWaalsContact CB-CE1 3.41Å; A86-F258 HydrophobicContact CB-CZ 3.56Å; L87-F258 HydrophobicContact CD1-CE2 4.24Å; L87-F258 HydrophobicContact CD2-CE2 3.85Å; L87-F258 HydrophobicContact CD2-CZ 4.23Å; L87-F258 HydrophobicContact CG-CE2 3.78Å; L87-F258 HydrophobicContact CG-CZ 4.24Å; P206-F258 HydrophobicContact CG-CD1 4.24Å; P206-F258 HydrophobicContact CG-CE1 3.96Å; S256-F258 PolarHBondContact O-N 3.5Å; S256-F258 PolarHBondContact OG-N 3.48Å; F258-R260 PolarHBondContact O-N 3.11Å; F258-T494 HydrophobicContact CB-CG2 4.12Å
259	S	85.3	Confident	85.2	Confident	9 Å²	9	27.1 Å²	27.1	6%	0.063	15%	0.149	C	C	.	.			trans	-65.6	124.6	178.5	-169.6	0	0	0	0	110.5	S256 R261 I262	S256-S259 WeakPolarHBondContact O-CB 3.43Å; S256-S259 PolarHBondContact O-N 2.86Å; S259-R261 PolarHBondContact O-N 3.26Å; S259-I262 PolarHBondContact O-N 3.21Å
260	R	81.3	Confident	85.6	Confident	100 Å²	100	28.4 Å²	28.4	38%	0.377	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.5	-179.3	-60.8	176	177.9	-145.5	-4.8	114.3	F258 I262 R391 N491 D492	F258-R260 PolarHBondContact O-N 3.11Å; R260-I262 VanDerWaalsContact C-N 3.33Å; R260-R391 PolarHBondContact NH1-O 2.97Å; R260-N491 PolarHBondContact NH2-O 3.41Å; R260-D492 IonicContact NE-OD1 3.23Å
261	R	86.8	Confident	86.5	Confident	55 Å²	55	26.2 Å²	26.2	21%	0.208	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.3	178.4	-66.8	168.8	53.7	-142	-11.1	113.5	V218 E219 S259	V218-R261 CarbonylContact C-O 3.48Å; V218-R261 WeakPolarHBondContact CA-O 2.93Å; E219-R261 HydrophobicContact CB-CB 4Å; E219-R261 HydrophobicContact CB-CG 4.18Å; E219-R261 PolarHBondContact N-O 2.84Å; E219-R261 PolarHBondContact O-NE 3.1Å; E219-R261 PolarHBondContact O-NH2 2.95Å; S259-R261 PolarHBondContact O-N 3.26Å
262	I	89.3	Confident	87.1	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.8	-177.9	-61.5	178.3	0	0	0	109.5	F210 V216 L240 L242 L255 S256 S259 R260 F324	F210-I262 HydrophobicContact CE1-CG2 3.91Å; F210-I262 HydrophobicContact CZ-CG2 4.23Å; V216-I262 HydrophobicContact CB-CG2 3.94Å; V216-I262 HydrophobicContact CG1-CG2 3.79Å; V216-I262 HydrophobicContact CG2-CG2 4.3Å; L240-I262 HydrophobicContact CD1-CD1 3.85Å; L242-I262 HydrophobicContact CD1-CD1 4.09Å; L255-I262 HydrophobicContact CB-CD1 3.92Å; L255-I262 HydrophobicContact CD1-CD1 4.06Å; L255-I262 HydrophobicContact CD1-CG1 4.06Å; S256-I262 WeakPolarHBondContact O-CD1 3.41Å; S259-I262 PolarHBondContact O-N 3.21Å; R260-I262 VanDerWaalsContact C-N 3.33Å; I262-F324 HydrophobicContact CG2-CE1 4.15Å; I262-F324 WeakPolarHBondContact O-CD1 3.46Å; I262-F324 WeakPolarHBondContact O-CE1 3.24Å
263	I	90.9	Very high	87.2	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	170.5	175.5	57.9	164.6	0	0	0	109.9	A217 F227 I268 W277 M328	A217-I263 HydrophobicContact CB-CG1 4.09Å; A217-I263 PolarHBondContact N-O 3Å; A217-I263 PolarHBondContact O-N 3.02Å; F227-I263 HydrophobicContact CD1-CD1 3.95Å; F227-I263 HydrophobicContact CD1-CG1 4.14Å; F227-I263 HydrophobicContact CE1-CD1 3.33Å; F227-I263 HydrophobicContact CE1-CG1 3.77Å; F227-I263 HydrophobicContact CE2-CD1 4.49Å; F227-I263 HydrophobicContact CZ-CD1 3.66Å; I263-I268 HydrophobicContact CD1-CD1 3.59Å; I263-I268 HydrophobicContact CG1-CD1 4.41Å; I263-W277 HydrophobicContact CD1-CE3 3.83Å; I263-W277 HydrophobicContact CD1-CH2 3.87Å; I263-W277 HydrophobicContact CD1-CZ3 3.27Å; I263-M328 HydrophobicContact CG2-CG 4.41Å
264	P	92.1	Very high	87.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	144.3	176.2	-20.2	32.7	0	0	0	111.4	S266 A267 S318 V319 F324 M328	P264-S266 PolarHBondContact O-N 3.05Å; P264-A267 HydrophobicContact CB-CB 4.09Å; P264-A267 HydrophobicContact CG-CB 4.24Å; P264-A267 PolarHBondContact O-N 2.86Å; P264-S318 WeakPolarHBondContact CB-OG 3.3Å; P264-V319 HydrophobicContact CB-CG2 4.38Å; P264-F324 HydrophobicContact CG-CB 4.18Å; P264-F324 HydrophobicContact CG-CD2 3.54Å; P264-F324 HydrophobicContact CG-CE2 4.11Å; P264-F324 HydrophobicContact CG-CG 4.01Å; P264-M328 HydrophobicContact CG-SD 4.24Å
265	A	91.8	Very high	87.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-66.3	-28.2	173.1	0	0	0	0	0	112	Y279 A314 V315 S318	A265-Y279 VanDerWaalsContact CA-OH 3.29Å; A265-Y279 WeakPolarHBondContact CA-OH 3.42Å; A265-Y279 PolarHBondContact O-OH 3.28Å; A265-A314 HydrophobicContact CB-CB 4.3Å; A265-A314 VanDerWaalsContact CB-O 3.29Å; A265-A314 WeakPolarHBondContact CB-O 3.31Å; A265-V315 WeakPolarHBondContact O-CG2 3.41Å; A265-S318 PolarHBondContact N-OG 2.88Å
266	S	89.9	Confident	87.2	Confident	24 Å²	24	38.6 Å²	38.6	17%	0.168	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-36.7	173.8	55.4	0	0	0	0	113.8	P264 I268 N269 S318	P264-S266 PolarHBondContact O-N 3.05Å; S266-I268 PolarHBondContact O-N 3.32Å; S266-I268 VanDerWaalsContact O-N 3.08Å; S266-N269 PolarHBondContact O-N 3.4Å; S266-S318 PolarHBondContact N-OG 3.07Å
267	A	90	Very high	87.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-22.5	-171.1	0	0	0	0	0	114.3	P264 N269 E270 M271 M328	P264-A267 HydrophobicContact CB-CB 4.09Å; P264-A267 HydrophobicContact CG-CB 4.24Å; P264-A267 PolarHBondContact O-N 2.86Å; A267-N269 VanDerWaalsContact C-N 3.31Å; A267-N269 PolarHBondContact O-N 3.31Å; A267-E270 PolarHBondContact O-N 2.92Å; A267-M271 WeakPolarHBondContact O-CB 3.13Å; A267-M271 VanDerWaalsContact O-CG 3.25Å; A267-M271 WeakPolarHBondContact O-CG 3.32Å; A267-M271 PolarHBondContact O-N 2.9Å; A267-M328 HydrophobicContact CB-SD 3.51Å; A267-M328 VanDerWaalsContact CB-SD 3.51Å
268	I	89.4	Confident	87.5	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-40.1	178.6	-54.4	-50.5	0	0	0	111.6	A217 F227 I263 S266 S272 W277 Y279	A217-I268 HydrophobicContact CB-CD1 3.77Å; A217-I268 HydrophobicContact CB-CG1 3.68Å; F227-I268 HydrophobicContact CB-CD1 3.95Å; F227-I268 HydrophobicContact CB-CG1 4.44Å; F227-I268 HydrophobicContact CD1-CD1 3.85Å; F227-I268 HydrophobicContact CD2-CD1 3.45Å; F227-I268 VanDerWaalsContact CD2-CD1 3.45Å; F227-I268 HydrophobicContact CE1-CD1 4.18Å; F227-I268 HydrophobicContact CE2-CD1 3.8Å; F227-I268 HydrophobicContact CG-CD1 3.48Å; F227-I268 VanDerWaalsContact CG-CD1 3.48Å; F227-I268 HydrophobicContact CG-CG1 4.46Å; F227-I268 HydrophobicContact CZ-CD1 4.17Å; I263-I268 HydrophobicContact CD1-CD1 3.59Å; I263-I268 HydrophobicContact CG1-CD1 4.41Å; S266-I268 PolarHBondContact O-N 3.32Å; S266-I268 VanDerWaalsContact O-N 3.08Å; I268-S272 VanDerWaalsContact O-CB 3.31Å; I268-S272 WeakPolarHBondContact O-CB 3.49Å; I268-S272 PolarHBondContact O-N 3.39Å; I268-W277 HydrophobicContact CD1-CE3 3.92Å; I268-W277 HydrophobicContact CG2-CB 4.46Å; I268-Y279 HydrophobicContact CB-CD2 4.17Å; I268-Y279 HydrophobicContact CB-CE2 3.61Å; I268-Y279 HydrophobicContact CG1-CD2 4.48Å; I268-Y279 HydrophobicContact CG1-CE1 3.88Å; I268-Y279 HydrophobicContact CG1-CE2 3.79Å; I268-Y279 VanDerWaalsContact CG1-CZ 3.46Å; I268-Y279 HydrophobicContact CG2-CD2 3.74Å; I268-Y279 HydrophobicContact CG2-CE2 3.74Å; I268-Y279 HydrophobicContact CG2-CG 4.24Å
269	N	84.5	Confident	87.7	Confident	98 Å²	98	42.9 Å²	42.9	52%	0.524	23%	0.234	S	C	.	.	H	α-helix	trans	-71	-40.6	-177.4	-67.3	0.6	0	0	0	111.1	S266 A267	S266-N269 PolarHBondContact O-N 3.4Å; A267-N269 VanDerWaalsContact C-N 3.31Å; A267-N269 PolarHBondContact O-N 3.31Å
270	E	83.3	Confident	87.5	Confident	112 Å²	112	45.3 Å²	45.3	52%	0.523	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-49.3	177.2	-62.3	168.9	-161.8	0	0	111.4	A267 S272	A267-E270 PolarHBondContact O-N 2.92Å; E270-S272 PolarHBondContact O-N 3.47Å
271	M	88.1	Confident	87.2	Confident	35 Å²	35	41 Å²	41	17%	0.172	23%	0.229	C	C	.	.	H	α-helix	trans	-84.5	-8.4	-173.2	-59.6	-62.2	159.3	0	0	113.7	A267 A273 E274 Y275 W277 M328	A267-M271 WeakPolarHBondContact O-CB 3.13Å; A267-M271 VanDerWaalsContact O-CG 3.25Å; A267-M271 WeakPolarHBondContact O-CG 3.32Å; A267-M271 PolarHBondContact O-N 2.9Å; M271-A273 VanDerWaalsContact C-N 3.25Å; M271-A273 PolarHBondContact O-N 3.23Å; M271-E274 PolarHBondContact O-N 3.22Å; M271-Y275 HydrophobicContact CB-CD2 4Å; M271-Y275 HydrophobicContact CG-CD2 4.37Å; M271-Y275 HydrophobicContact CG-CE2 4.47Å; M271-Y275 PolarHBondContact O-N 2.95Å; M271-Y275 HydrophobicContact SD-CD2 4.13Å; M271-Y275 HydrophobicContact SD-CE2 3.74Å; M271-W277 HydrophobicContact CB-CB 4.48Å; M271-W277 HydrophobicContact CB-CD2 3.63Å; M271-W277 HydrophobicContact CB-CE3 3.28Å; M271-W277 HydrophobicContact CB-CG 4.18Å; M271-W277 HydrophobicContact CB-CH2 4.31Å; M271-W277 HydrophobicContact CB-CZ3 3.64Å; M271-W277 HydrophobicContact CG-CD2 4.47Å; M271-W277 HydrophobicContact CG-CE3 3.79Å; M271-W277 HydrophobicContact CG-CH2 4.15Å; M271-W277 HydrophobicContact CG-CZ3 3.57Å; M271-M328 HydrophobicContact CE-CB 4.47Å
272	S	86.5	Confident	86.7	Confident	60 Å²	60	38.5 Å²	38.5	42%	0.42	22%	0.219	S	C	.	.	H	α-helix	trans	-53.2	-44.8	173.5	-176.8	0	0	0	0	111.3	I268 E270 G276 W277	I268-S272 VanDerWaalsContact O-CB 3.31Å; I268-S272 WeakPolarHBondContact O-CB 3.49Å; I268-S272 PolarHBondContact O-N 3.39Å; E270-S272 PolarHBondContact O-N 3.47Å; S272-G276 VanDerWaalsContact O-CA 3.24Å; S272-G276 WeakPolarHBondContact O-CA 3.48Å; S272-G276 PolarHBondContact O-N 3.31Å; S272-W277 WeakPolarHBondContact CA-O 3.45Å; S272-W277 WeakPolarHBondContact CB-O 3.39Å; S272-W277 PolarHBondContact OG-O 3.29Å; S272-W277 VanDerWaalsContact OG-O 3.13Å
273	A	85	Confident	85.6	Confident	101 Å²	101	39.1 Å²	39.1	84%	0.835	22%	0.224	S	C	*	.	H	α-helix	trans	-71.5	-36.8	-178.8	0	0	0	0	0	114.4	M271	M271-A273 VanDerWaalsContact C-N 3.25Å; M271-A273 PolarHBondContact O-N 3.23Å
274	E	86.1	Confident	84.2	Confident	105 Å²	105	42.4 Å²	42.4	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-83.7	-40.7	-179.4	-160.7	-171.6	147.2	0	0	112.6	M271 Y364	M271-E274 PolarHBondContact O-N 3.22Å; E274-Y364 HydrophobicContact CG-CE2 4.49Å; E274-Y364 PolarHBondContact OE1-OH 2.8Å
275	Y	88.8	Confident	82.8	Confident	13 Å²	13	42.6 Å²	42.6	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-113.2	-14.7	-167.7	-59	-33	0	0	0	114.7	M271 W277 M328 L330 N362 Y364	M271-Y275 HydrophobicContact CB-CD2 4Å; M271-Y275 HydrophobicContact CG-CD2 4.37Å; M271-Y275 HydrophobicContact CG-CE2 4.47Å; M271-Y275 PolarHBondContact O-N 2.95Å; M271-Y275 HydrophobicContact SD-CD2 4.13Å; M271-Y275 HydrophobicContact SD-CE2 3.74Å; Y275-W277 HydrophobicContact CD2-CD2 4.39Å; Y275-W277 AromaticContact CD2-CE2 3.73Å; Y275-W277 HydrophobicContact CD2-CH2 4.41Å; Y275-W277 AromaticContact CD2-CZ2 3.76Å; Y275-W277 HydrophobicContact CD2-CZ2 3.76Å; Y275-W277 AromaticContact CD2-NE1 3.89Å; Y275-W277 HydrophobicContact CE2-CZ2 4.35Å; Y275-M328 VanDerWaalsContact CE2-O 3.28Å; Y275-M328 WeakPolarHBondContact CE2-O 3.1Å; Y275-L330 HydrophobicContact CD1-CB 4.26Å; Y275-L330 HydrophobicContact CD1-CD1 4.07Å; Y275-L330 HydrophobicContact CD2-CB 4.49Å; Y275-L330 HydrophobicContact CD2-CD1 3.84Å; Y275-L330 HydrophobicContact CD2-CG 4.06Å; Y275-L330 HydrophobicContact CE1-CB 3.96Å; Y275-L330 HydrophobicContact CE2-CB 4.22Å; Y275-L330 HydrophobicContact CE2-CD1 4.35Å; Y275-L330 HydrophobicContact CE2-CG 4.09Å; Y275-L330 HydrophobicContact CG-CD1 3.71Å; Y275-L330 HydrophobicContact CG-CG 4.32Å; Y275-L330 PolarHBondContact OH-N 2.92Å; Y275-N362 PolarHBondContact O-ND2 3.05Å; Y275-Y364 HydrophobicContact CD1-CD1 4.43Å; Y275-Y364 AromaticContact CD1-CD2 3.5Å; Y275-Y364 HydrophobicContact CD1-CD2 3.5Å; Y275-Y364 HydrophobicContact CD1-CE1 4.44Å; Y275-Y364 AromaticContact CD1-CE2 3.5Å; Y275-Y364 HydrophobicContact CD1-CE2 3.5Å; Y275-Y364 VanDerWaalsContact CD1-CE2 3.5Å; Y275-Y364 AromaticContact CD1-CG 3.98Å; Y275-Y364 HydrophobicContact CD1-CG 3.98Å; Y275-Y364 AromaticContact CD1-CZ 3.99Å; Y275-Y364 HydrophobicContact CE1-CD1 4.23Å; Y275-Y364 AromaticContact CE1-CD2 3.95Å; Y275-Y364 HydrophobicContact CE1-CD2 3.95Å; Y275-Y364 AromaticContact CE1-CE1 3.92Å; Y275-Y364 HydrophobicContact CE1-CE1 3.92Å; Y275-Y364 AromaticContact CE1-CE2 3.59Å; Y275-Y364 HydrophobicContact CE1-CE2 3.59Å; Y275-Y364 HydrophobicContact CE1-CG 4.24Å; Y275-Y364 AromaticContact CE1-CZ 3.57Å
276	G	86.4	Confident	81.3	Confident	41 Å²	41	45.5 Å²	45.5	42%	0.423	26%	0.261	S	S	.	.			trans	73.6	40.8	-170.8	0	0	0	0	0	112.2	S272	S272-G276 VanDerWaalsContact O-CA 3.24Å; S272-G276 WeakPolarHBondContact O-CA 3.48Å; S272-G276 PolarHBondContact O-N 3.31Å
277	W	91.3	Very high	79.4	Confident	7 Å²	7	47 Å²	47	3%	0.027	27%	0.27	C	S	.	.			trans	-78.4	142	172.8	-70.6	5.4	0	0	0	111.4	G225 F227 I263 I268 M271 S272 Y275 M328 L330 Y365	G225-W277 WeakPolarHBondContact O-CA 3.41Å; F227-W277 HydrophobicContact CD2-CB 4.49Å; F227-W277 HydrophobicContact CE2-CB 4.03Å; F227-W277 AromaticContact CE2-CD2 3.61Å; F227-W277 HydrophobicContact CE2-CD2 3.61Å; F227-W277 AromaticContact CE2-CE3 3.92Å; F227-W277 HydrophobicContact CE2-CE3 3.92Å; F227-W277 AromaticContact CE2-CG 3.65Å; F227-W277 HydrophobicContact CE2-CG 3.65Å; F227-W277 AromaticContact CZ-CD2 3.87Å; F227-W277 HydrophobicContact CZ-CD2 3.87Å; F227-W277 AromaticContact CZ-CE3 3.98Å; F227-W277 HydrophobicContact CZ-CE3 3.98Å; F227-W277 HydrophobicContact CZ-CG 4.36Å; F227-W277 HydrophobicContact CZ-CH2 4.48Å; F227-W277 HydrophobicContact CZ-CZ2 4.33Å; F227-W277 HydrophobicContact CZ-CZ3 4.31Å; I263-W277 HydrophobicContact CD1-CE3 3.83Å; I263-W277 HydrophobicContact CD1-CH2 3.87Å; I263-W277 HydrophobicContact CD1-CZ3 3.27Å; I268-W277 HydrophobicContact CD1-CE3 3.92Å; I268-W277 HydrophobicContact CG2-CB 4.46Å; M271-W277 HydrophobicContact CB-CB 4.48Å; M271-W277 HydrophobicContact CB-CD2 3.63Å; M271-W277 HydrophobicContact CB-CE3 3.28Å; M271-W277 HydrophobicContact CB-CG 4.18Å; M271-W277 HydrophobicContact CB-CH2 4.31Å; M271-W277 HydrophobicContact CB-CZ3 3.64Å; M271-W277 HydrophobicContact CG-CD2 4.47Å; M271-W277 HydrophobicContact CG-CE3 3.79Å; M271-W277 HydrophobicContact CG-CH2 4.15Å; M271-W277 HydrophobicContact CG-CZ3 3.57Å; S272-W277 WeakPolarHBondContact CA-O 3.45Å; S272-W277 WeakPolarHBondContact CB-O 3.39Å; S272-W277 PolarHBondContact OG-O 3.29Å; S272-W277 VanDerWaalsContact OG-O 3.13Å; Y275-W277 HydrophobicContact CD2-CD2 4.39Å; Y275-W277 AromaticContact CD2-CE2 3.73Å; Y275-W277 HydrophobicContact CD2-CH2 4.41Å; Y275-W277 AromaticContact CD2-CZ2 3.76Å; Y275-W277 HydrophobicContact CD2-CZ2 3.76Å; Y275-W277 AromaticContact CD2-NE1 3.89Å; Y275-W277 HydrophobicContact CE2-CZ2 4.35Å; W277-M328 HydrophobicContact CH2-CB 4.43Å; W277-L330 HydrophobicContact CZ2-CD1 4.23Å; W277-L330 HydrophobicContact CZ2-CG 4.33Å; W277-Y365 AromaticContact NE1-CE2 3.96Å; W277-Y365 AromaticContact NE1-CZ 3.86Å; W277-Y365 PolarHBondContact NE1-OH 2.91Å
278	Q	88.7	Confident	77.1	Confident	94 Å²	94	49.5 Å²	49.5	44%	0.439	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.9	-178	64.2	-173.4	-19	0	0	112.3	G225 N226 F227	G225-Q278 PolarHBondContact O-N 2.94Å; N226-Q278 WeakPolarHBondContact OD1-CG 3.5Å; N226-Q278 PolarHBondContact OD1-NE2 2.91Å; F227-Q278 PolarHBondContact N-O 3.41Å
279	Y	87.4	Confident	74.8	Confident	38 Å²	38	56.7 Å²	56.7	15%	0.149	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	139.9	167.5	-77.5	-64.7	0	0	0	111.6	A217 F227 P229 A265 I268 V311	A217-Y279 HydrophobicContact CB-CE1 4.04Å; F227-Y279 HydrophobicContact CB-CD1 4.31Å; F227-Y279 HydrophobicContact CB-CE1 4.4Å; F227-Y279 CarbonylContact O-C 3.58Å; F227-Y279 WeakPolarHBondContact O-CA 3.39Å; P229-Y279 HydrophobicContact CB-CE1 4.01Å; P229-Y279 HydrophobicContact CG-CD1 4.23Å; P229-Y279 HydrophobicContact CG-CE1 3.94Å; A265-Y279 VanDerWaalsContact CA-OH 3.29Å; A265-Y279 WeakPolarHBondContact CA-OH 3.42Å; A265-Y279 PolarHBondContact O-OH 3.28Å; I268-Y279 HydrophobicContact CB-CD2 4.17Å; I268-Y279 HydrophobicContact CB-CE2 3.61Å; I268-Y279 HydrophobicContact CG1-CD2 4.48Å; I268-Y279 HydrophobicContact CG1-CE1 3.88Å; I268-Y279 HydrophobicContact CG1-CE2 3.79Å; I268-Y279 VanDerWaalsContact CG1-CZ 3.46Å; I268-Y279 HydrophobicContact CG2-CD2 3.74Å; I268-Y279 HydrophobicContact CG2-CE2 3.74Å; I268-Y279 HydrophobicContact CG2-CG 4.24Å; Y279-V311 HydrophobicContact CD2-CG1 3.51Å; Y279-V311 HydrophobicContact CE2-CG1 3.48Å; Y279-V311 VanDerWaalsContact CE2-CG1 3.48Å; Y279-V311 HydrophobicContact CG-CG1 4.34Å
280	K	81.2	Confident	72.4	Confident	61 Å²	61	56.8 Å²	56.8	27%	0.265	32%	0.319	S	S	.	.			trans	-140.6	150.4	169.4	-77.3	-169.5	-178.6	-174.7	0	109.2	E223 N226 F227 A282 L285 W302	E223-K280 IonicContact OE1-NZ 2.71Å; E223-K280 PolarHBondContact OE1-NZ 3.22Å; E223-K280 IonicContact OE2-NZ 2.73Å; E223-K280 PolarHBondContact OE2-NZ 2.77Å; N226-K280 HydrophobicContact CB-CD 4.06Å; N226-K280 HydrophobicContact CB-CG 4.4Å; N226-K280 WeakPolarHBondContact ND2-CE 3.43Å; N226-K280 PolarHBondContact ND2-NZ 3.08Å; N226-K280 VanDerWaalsContact ND2-NZ 3.13Å; F227-K280 PolarHBondContact O-N 3Å; F227-K280 VanDerWaalsContact O-O 3.11Å; K280-A282 PolarHBondContact O-N 2.83Å; K280-L285 HydrophobicContact CB-CD1 3.76Å; K280-L285 HydrophobicContact CB-CG 4.13Å; K280-L285 HydrophobicContact CD-CD2 4.05Å; K280-L285 HydrophobicContact CD-CG 4.48Å; K280-W302 WeakPolarHBondContact O-CZ3 3.49Å
281	C	74.9	Confident	70.1	Confident	10 Å²	10	56.2 Å²	56.2	7%	0.068	33%	0.327	C	S	.	.			trans	-60.3	130	-179.6	-176.8	0	0	0	0	110.6	C283 S284 C299 W302	C281-C283 PolarHBondContact O-N 3.4Å; C281-C283 VanDerWaalsContact O-N 3.1Å; C281-S284 WeakPolarHBondContact O-CB 3.44Å; C281-S284 PolarHBondContact O-N 2.72Å; C281-S284 PolarHBondContact O-OG 2.97Å; C281-C299 VanDerWaalsContact SG-SG 3.63Å; C281-W302 VanDerWaalsContact CA-CE3 3.48Å; C281-W302 HydrophobicContact CB-CB 4.16Å; C281-W302 HydrophobicContact CB-CD2 3.78Å; C281-W302 HydrophobicContact CB-CE3 3.69Å; C281-W302 HydrophobicContact CB-CG 4.05Å; C281-W302 HydrophobicContact CB-CZ3 4.29Å; C281-W302 VanDerWaalsContact N-CE3 3.34Å
282	A	75.2	Confident	67.5	Low	1 Å²	1	58.2 Å²	58.2	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-51.3	-39.6	-177.8	0	0	0	0	0	112.4	W228 P244 K280 S284 L285 F286	W228-A282 HydrophobicContact CB-CB 3.88Å; W228-A282 HydrophobicContact CD2-CB 3.77Å; W228-A282 HydrophobicContact CE3-CB 4.42Å; W228-A282 HydrophobicContact CG-CB 3.51Å; P244-A282 HydrophobicContact CB-CB 3.81Å; K280-A282 PolarHBondContact O-N 2.83Å; A282-S284 PolarHBondContact O-N 2.99Å; A282-L285 CarbonylContact O-C 3.52Å; A282-L285 WeakPolarHBondContact O-CA 3.44Å; A282-L285 PolarHBondContact O-N 2.83Å; A282-F286 HydrophobicContact CB-CD2 4.1Å; A282-F286 HydrophobicContact CB-CE2 3.83Å; A282-F286 VanDerWaalsContact O-CD2 3.23Å; A282-F286 WeakPolarHBondContact O-CD2 3.32Å; A282-F286 PolarHBondContact O-N 3.07Å
283	C	67	Low	65.2	Low	16 Å²	16	58.8 Å²	58.8	11%	0.108	34%	0.341	C	S	.	.	H	α-helix	trans	-67.4	-15.6	179.5	-55.3	0	0	0	0	114.6	C281 C297 C299	C281-C283 PolarHBondContact O-N 3.4Å; C281-C283 VanDerWaalsContact O-N 3.1Å; C283-C297 HydrophobicContact CB-CB 3.64Å; C283-C297 WeakPolarHBondContact CB-SG 3.49Å; C283-C297 WeakPolarHBondContact SG-CB 3.12Å; C283-C297 CovalentContact SG-SG 2.03Å; C283-C297 PolarHBondContact SG-SG 3.16Å; C283-C299 VanDerWaalsContact CB-SG 3.53Å
284	S	61.7	Low	63	Low	73 Å²	73	63 Å²	63	51%	0.51	34%	0.336	S	S	.	.	H	α-helix	trans	-87.2	-17.9	168.6	72.9	0	0	0	0	113.2	C281 A282	C281-S284 WeakPolarHBondContact O-CB 3.44Å; C281-S284 PolarHBondContact O-N 2.72Å; C281-S284 PolarHBondContact O-OG 2.97Å; A282-S284 PolarHBondContact O-N 2.99Å
285	L	62.8	Low	60.8	Low	3 Å²	3	65.4 Å²	65.4	2%	0.016	35%	0.351	C	S	.	.	H	α-helix	trans	-106.3	-22.3	-174.7	-69.1	175.5	0	0	0	114.2	E223 N226 W228 K280 A282 P287	E223-L285 HydrophobicContact CB-CD2 4.23Å; E223-L285 HydrophobicContact CG-CD2 4.5Å; E223-L285 WeakPolarHBondContact OE2-CD2 3.41Å; N226-L285 HydrophobicContact CB-CD1 4.14Å; N226-L285 HydrophobicContact CB-CD2 4.05Å; W228-L285 HydrophobicContact CE3-CB 4.12Å; W228-L285 HydrophobicContact CE3-CD1 3.64Å; W228-L285 HydrophobicContact CZ3-CB 3.88Å; W228-L285 HydrophobicContact CZ3-CD1 4.01Å; K280-L285 HydrophobicContact CB-CD1 3.76Å; K280-L285 HydrophobicContact CB-CG 4.13Å; K280-L285 HydrophobicContact CD-CD2 4.05Å; K280-L285 HydrophobicContact CD-CG 4.48Å; A282-L285 CarbonylContact O-C 3.52Å; A282-L285 WeakPolarHBondContact O-CA 3.44Å; A282-L285 PolarHBondContact O-N 2.83Å; L285-P287 WeakPolarHBondContact O-CD 3.29Å
286	F	60.4	Low	58.8	Low	62 Å²	62	70.7 Å²	70.7	27%	0.272	38%	0.377	S	S	.	.			trans	-67.9	121.9	176	-85.2	-68	0	0	0	111.7	W228 P244 F253 A282 V288	W228-F286 HydrophobicContact CZ2-CE1 4.35Å; W228-F286 HydrophobicContact CZ2-CZ 4.09Å; P244-F286 HydrophobicContact CG-CE2 4.38Å; F253-F286 AromaticContact CD1-CZ 3.83Å; F253-F286 HydrophobicContact CD1-CZ 3.83Å; F253-F286 AromaticContact CE1-CZ 3.84Å; F253-F286 HydrophobicContact CE1-CZ 3.84Å; A282-F286 HydrophobicContact CB-CD2 4.1Å; A282-F286 HydrophobicContact CB-CE2 3.83Å; A282-F286 VanDerWaalsContact O-CD2 3.23Å; A282-F286 WeakPolarHBondContact O-CD2 3.32Å; A282-F286 PolarHBondContact O-N 3.07Å; F286-V288 HydrophobicContact CB-CG2 3.93Å; F286-V288 PolarHBondContact O-N 2.83Å
287	P	49.5	Very low	57.2	Low	55 Å²	55	69.7 Å²	69.7	36%	0.357	36%	0.363	S	S	.	.			trans	-77.8	72.7	167.6	33.5	-33.8	0	0	0	109.5	V222 L285 H289 V347	V222-P287 HydrophobicContact CG1-CB 4.41Å; V222-P287 HydrophobicContact CG1-CG 4.34Å; L285-P287 WeakPolarHBondContact O-CD 3.29Å; P287-H289 PolarHBondContact O-N 2.9Å; P287-V347 HydrophobicContact CB-CG1 3.98Å; P287-V347 HydrophobicContact CB-CG2 3.86Å; P287-V347 HydrophobicContact CG-CG1 4.28Å; P287-V347 HydrophobicContact CG-CG2 4.21Å
288	V	41.5	Very low	55.3	Low	53 Å²	53	74 Å²	74	32%	0.321	39%	0.385	S	S	.	.			trans	-69.8	118.7	-175.6	-142.6	0	0	0	0	110.9	F286 N290 M293	F286-V288 HydrophobicContact CB-CG2 3.93Å; F286-V288 PolarHBondContact O-N 2.83Å; V288-N290 HydrophobicContact CG1-CB 4.3Å; V288-N290 VanDerWaalsContact CG1-O 3.28Å; V288-N290 WeakPolarHBondContact CG1-O 3.39Å; V288-N290 PolarHBondContact O-N 3.49Å; V288-M293 HydrophobicContact CG1-CB 4.14Å; V288-M293 HydrophobicContact CG1-CG 4.31Å; V288-M293 HydrophobicContact CG1-SD 3.65Å
289	H	39.8	Very low	53.8	Low	153 Å²	153	71.2 Å²	71.2	71%	0.708	38%	0.375	S	S	*	.	S	Bend	trans	-70.1	-7.1	167.1	-81.2	-69.9	0	0	0	113.4	P287	P287-H289 PolarHBondContact O-N 2.9Å
290	N	34.9	Very low	52	Low	100 Å²	100	74 Å²	74	54%	0.535	40%	0.4	S	S	.	.	S	Bend	trans	-121.8	110.3	-177	-155.9	-6.5	0	0	0	109.7	V288 S292	V288-N290 HydrophobicContact CG1-CB 4.3Å; V288-N290 VanDerWaalsContact CG1-O 3.28Å; V288-N290 WeakPolarHBondContact CG1-O 3.39Å; V288-N290 PolarHBondContact O-N 3.49Å; N290-S292 VanDerWaalsContact C-N 3.28Å; N290-S292 PolarHBondContact O-N 3.39Å
291	S	34.5	Very low	50.4	Low	99 Å²	99	78.7 Å²	78.7	69%	0.692	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-65	-27.2	-168.1	38.6	0	0	0	0	114.1	M293 R294	S291-M293 VanDerWaalsContact C-N 3.33Å; S291-M293 PolarHBondContact O-N 2.85Å; S291-R294 PolarHBondContact O-N 3.07Å
292	S	35	Very low	49.4	Very low	78 Å²	78	79.8 Å²	79.8	55%	0.545	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-63.9	-30.4	-174.7	-50.1	0	0	0	0	114.2	N290 R294 L295	N290-S292 VanDerWaalsContact C-N 3.28Å; N290-S292 PolarHBondContact O-N 3.39Å; S292-R294 PolarHBondContact O-N 3.21Å; S292-R294 VanDerWaalsContact O-N 3.17Å; S292-L295 PolarHBondContact O-N 2.94Å
293	M	36.8	Very low	48.1	Very low	71 Å²	71	87 Å²	87	35%	0.35	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-66.2	-19	-177.4	-68.9	178.8	78.4	0	0	113.8	N251 V288 S291 L295	N251-M293 HydrophobicContact CB-CE 4.39Å; N251-M293 WeakPolarHBondContact OD1-CE 3.43Å; V288-M293 HydrophobicContact CG1-CB 4.14Å; V288-M293 HydrophobicContact CG1-CG 4.31Å; V288-M293 HydrophobicContact CG1-SD 3.65Å; S291-M293 VanDerWaalsContact C-N 3.33Å; S291-M293 PolarHBondContact O-N 2.85Å; M293-L295 PolarHBondContact O-N 3.28Å
294	R	39.6	Very low	47.2	Very low	189 Å²	189	91.7 Å²	91.7	71%	0.713	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17.9	177.8	-99.6	-175.5	175.1	174.7	0.1	114	S291 S292	S291-R294 PolarHBondContact O-N 3.07Å; S292-R294 PolarHBondContact O-N 3.21Å; S292-R294 VanDerWaalsContact O-N 3.17Å
295	L	38.9	Very low	46.5	Very low	156 Å²	156	95.3 Å²	95.3	82%	0.817	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-94.4	-11.7	-171.5	-73.4	156.2	0	0	0	114.5	S292 M293	S292-L295 PolarHBondContact O-N 2.94Å; M293-L295 PolarHBondContact O-N 3.28Å
296	Q	48.1	Very low	45.5	Very low	125 Å²	125	103.8 Å²	103.8	58%	0.584	53%	0.534	S	S	*	.	S	Bend	trans	-107	10.8	-172.7	-84	-174.7	-21.8	0	0	115	L248	L248-Q296 HydrophobicContact CD1-CB 3.9Å; L248-Q296 HydrophobicContact CD1-CG 4.27Å
297	C	52.7	Low	45.2	Very low	20 Å²	20	102.9 Å²	102.9	14%	0.135	53%	0.532	C	S	.	.	S	Bend	trans	-108.5	138.5	-172.3	-166.6	0	0	0	0	112.1	C283 C299	C283-C297 HydrophobicContact CB-CB 3.64Å; C283-C297 WeakPolarHBondContact CB-SG 3.49Å; C283-C297 WeakPolarHBondContact SG-CB 3.12Å; C283-C297 CovalentContact SG-SG 2.03Å; C283-C297 PolarHBondContact SG-SG 3.16Å; C297-C299 PolarHBondContact O-N 3.42Å
298	M	51.1	Low	45.9	Very low	98 Å²	98	102.9 Å²	102.9	48%	0.483	53%	0.533	S	S	.	.			trans	-75.7	33.7	-176.1	-68.1	177.1	56.8	0	0	114.1	S300 R301	M298-S300 PolarHBondContact O-N 2.95Å; M298-R301 PolarHBondContact O-N 3.25Å
299	C	55.9	Low	47.2	Very low	35 Å²	35	105.6 Å²	105.6	24%	0.236	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29	-173.1	-57.9	0	0	0	0	114.5	C281 C283 C297 R301 W302	C281-C299 VanDerWaalsContact SG-SG 3.63Å; C283-C299 VanDerWaalsContact CB-SG 3.53Å; C297-C299 PolarHBondContact O-N 3.42Å; C299-R301 VanDerWaalsContact C-N 3.29Å; C299-R301 PolarHBondContact O-N 3.26Å; C299-W302 PolarHBondContact O-N 3.34Å
300	S	49.6	Very low	48.8	Very low	96 Å²	96	101.7 Å²	101.7	67%	0.671	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.2	-179.1	46.9	0	0	0	0	114.4	M298	M298-S300 PolarHBondContact O-N 2.95Å
301	R	48.6	Very low	51	Low	160 Å²	160	98.3 Å²	98.3	60%	0.604	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-40	169.9	-64.1	-170.9	-178.1	168	2.5	111.9	M298 C299 M303 N304	M298-R301 PolarHBondContact O-N 3.25Å; C299-R301 VanDerWaalsContact C-N 3.29Å; C299-R301 PolarHBondContact O-N 3.26Å; R301-M303 PolarHBondContact O-N 3.01Å; R301-N304 PolarHBondContact O-N 3.34Å
302	W	54.7	Low	53.3	Low	32 Å²	32	97.7 Å²	97.7	12%	0.121	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-12	-179.5	-118.6	81.5	0	0	0	116.6	P229 K280 C281 C299 D307	P229-W302 HydrophobicContact CG-CH2 4.31Å; P229-W302 HydrophobicContact CG-CZ2 4.22Å; K280-W302 WeakPolarHBondContact O-CZ3 3.49Å; C281-W302 VanDerWaalsContact CA-CE3 3.48Å; C281-W302 HydrophobicContact CB-CB 4.16Å; C281-W302 HydrophobicContact CB-CD2 3.78Å; C281-W302 HydrophobicContact CB-CE3 3.69Å; C281-W302 HydrophobicContact CB-CG 4.05Å; C281-W302 HydrophobicContact CB-CZ3 4.29Å; C281-W302 VanDerWaalsContact N-CE3 3.34Å; C299-W302 PolarHBondContact O-N 3.34Å; W302-D307 VanDerWaalsContact CA-OD2 3.25Å; W302-D307 WeakPolarHBondContact CA-OD2 3.49Å; W302-D307 PolarHBondContact N-OD2 2.9Å
303	M	47	Very low	55.7	Low	153 Å²	153	96.7 Å²	96.7	75%	0.754	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-6.3	177.3	-69.6	-174	-70.8	0	0	113.8	R301	R301-M303 PolarHBondContact O-N 3.01Å
304	N	48.4	Very low	58.1	Low	115 Å²	115	93.3 Å²	93.3	62%	0.615	47%	0.47	S	S	*	.	S	Bend	trans	-92.4	143	172.1	-71.7	-11.4	0	0	0	110	R301 K306 D307	R301-N304 PolarHBondContact O-N 3.34Å; N304-K306 PolarHBondContact O-N 3.21Å; N304-D307 PolarHBondContact O-N 3.19Å
305	T	46	Very low	60.5	Low	148 Å²	148	86 Å²	86	91%	0.908	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	18.8	-174.9	42	0	0	0	0	115.6
306	K	43.3	Very low	62.8	Low	181 Å²	181	87.2 Å²	87.2	79%	0.787	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-6.9	176	-70.6	-172.2	174.6	-177	0	114.7	N304 S308	N304-K306 PolarHBondContact O-N 3.21Å; K306-S308 PolarHBondContact O-N 3.25Å
307	D	53.6	Low	64.9	Low	43 Å²	43	84.5 Å²	84.5	23%	0.23	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	7.8	167.9	-90.2	28.9	0	0	0	112.8	W302 N304 I309 L310	W302-D307 VanDerWaalsContact CA-OD2 3.25Å; W302-D307 WeakPolarHBondContact CA-OD2 3.49Å; W302-D307 PolarHBondContact N-OD2 2.9Å; N304-D307 PolarHBondContact O-N 3.19Å; D307-I309 PolarHBondContact O-N 3.22Å; D307-L310 PolarHBondContact O-N 2.96Å; D307-L310 VanDerWaalsContact O-N 3.11Å
308	S	63.1	Low	66.8	Low	56 Å²	56	84.1 Å²	84.1	39%	0.392	43%	0.427	S	S	.	.	H	α-helix	trans	-44.9	-44.5	171.9	-154.3	0	0	0	0	112.5	K306 L310 V311 E312	K306-S308 PolarHBondContact O-N 3.25Å; S308-L310 VanDerWaalsContact C-N 3.28Å; S308-L310 PolarHBondContact O-N 2.97Å; S308-V311 CarbonylContact O-C 3.53Å; S308-V311 PolarHBondContact O-N 2.82Å; S308-E312 WeakPolarHBondContact CB-OE1 3.44Å; S308-E312 WeakPolarHBondContact O-CB 3.5Å; S308-E312 VanDerWaalsContact O-CG 3.29Å; S308-E312 WeakPolarHBondContact O-CG 3.33Å; S308-E312 PolarHBondContact O-N 2.85Å; S308-E312 PolarHBondContact OG-OE1 3.43Å
309	I	69.1	Low	68.7	Low	110 Å²	110	79.6 Å²	79.6	56%	0.564	41%	0.405	S	S	*	.	H	α-helix	trans	-55.9	-39.2	-178	-59.4	172	0	0	0	112.5	D307 N313	D307-I309 PolarHBondContact O-N 3.22Å; I309-N313 VanDerWaalsContact O-CB 3.24Å; I309-N313 WeakPolarHBondContact O-CB 3.38Å; I309-N313 PolarHBondContact O-N 2.95Å; I309-N313 PolarHBondContact O-ND2 3.19Å
310	L	74.3	Confident	70.1	Confident	70 Å²	70	80.5 Å²	80.5	37%	0.366	41%	0.411	S	S	.	.	H	α-helix	trans	-72.3	-35.4	-179.9	-70.3	178.8	0	0	0	112.2	V245 D307 S308 A314	V245-L310 HydrophobicContact CG1-CB 3.92Å; V245-L310 HydrophobicContact CG1-CD1 4.24Å; V245-L310 HydrophobicContact CG1-CD2 4.27Å; V245-L310 HydrophobicContact CG1-CG 4.38Å; D307-L310 PolarHBondContact O-N 2.96Å; D307-L310 VanDerWaalsContact O-N 3.11Å; S308-L310 VanDerWaalsContact C-N 3.28Å; S308-L310 PolarHBondContact O-N 2.97Å; L310-A314 PolarHBondContact O-N 3.1Å
311	V	80.5	Confident	71.7	Confident	30 Å²	30	78.3 Å²	78.3	18%	0.182	40%	0.395	C	S	.	.	H	α-helix	trans	-76.8	-42.3	176.8	-179.6	0	0	0	0	110.8	Y279 S308 N313 A314 V315	Y279-V311 HydrophobicContact CD2-CG1 3.51Å; Y279-V311 HydrophobicContact CE2-CG1 3.48Å; Y279-V311 VanDerWaalsContact CE2-CG1 3.48Å; Y279-V311 HydrophobicContact CG-CG1 4.34Å; S308-V311 CarbonylContact O-C 3.53Å; S308-V311 PolarHBondContact O-N 2.82Å; V311-N313 PolarHBondContact O-N 3.43Å; V311-A314 PolarHBondContact O-N 3.39Å; V311-V315 HydrophobicContact CG1-CG2 4.33Å; V311-V315 WeakPolarHBondContact O-CB 3.23Å; V311-V315 VanDerWaalsContact O-CG2 3.29Å; V311-V315 WeakPolarHBondContact O-CG2 3.31Å; V311-V315 PolarHBondContact O-N 2.77Å
312	E	82.6	Confident	73	Confident	85 Å²	85	77.3 Å²	77.3	40%	0.397	40%	0.395	S	S	.	.	H	α-helix	trans	-57.9	-45	172.9	-75.6	168.3	-144.3	0	0	111.7	S308 A314 V315 R316	S308-E312 WeakPolarHBondContact CB-OE1 3.44Å; S308-E312 WeakPolarHBondContact O-CB 3.5Å; S308-E312 VanDerWaalsContact O-CG 3.29Å; S308-E312 WeakPolarHBondContact O-CG 3.33Å; S308-E312 PolarHBondContact O-N 2.85Å; S308-E312 PolarHBondContact OG-OE1 3.43Å; E312-A314 VanDerWaalsContact C-N 3.32Å; E312-A314 PolarHBondContact O-N 3.18Å; E312-V315 PolarHBondContact O-N 2.79Å; E312-R316 WeakPolarHBondContact O-CB 3.34Å; E312-R316 PolarHBondContact O-N 2.77Å
313	N	85.3	Confident	73.7	Confident	58 Å²	58	76.8 Å²	76.8	31%	0.31	40%	0.396	S	S	.	.	H	α-helix	trans	-66.3	-34.4	176.6	-76.2	-18.7	0	0	0	112	I309 V311 N317	I309-N313 VanDerWaalsContact O-CB 3.24Å; I309-N313 WeakPolarHBondContact O-CB 3.38Å; I309-N313 PolarHBondContact O-N 2.95Å; I309-N313 PolarHBondContact O-ND2 3.19Å; V311-N313 PolarHBondContact O-N 3.43Å; N313-N317 VanDerWaalsContact O-CB 3.32Å; N313-N317 WeakPolarHBondContact O-CB 3.45Å; N313-N317 PolarHBondContact O-N 2.97Å; N313-N317 VanDerWaalsContact O-N 3.08Å; N313-N317 PolarHBondContact O-ND2 2.84Å
314	A	87.8	Confident	75.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-70.5	-41	173.2	0	0	0	0	0	112.4	Y215 P229 A265 L310 V311 E312 N317 S318	Y215-A314 WeakPolarHBondContact CB-O 3.43Å; Y215-A314 HydrophobicContact CD1-CB 3.62Å; Y215-A314 HydrophobicContact CE1-CB 4.27Å; Y215-A314 HydrophobicContact CG-CB 3.81Å; P229-A314 HydrophobicContact CB-CB 3.62Å; P229-A314 HydrophobicContact CG-CB 4.34Å; A265-A314 HydrophobicContact CB-CB 4.3Å; A265-A314 VanDerWaalsContact CB-O 3.29Å; A265-A314 WeakPolarHBondContact CB-O 3.31Å; L310-A314 PolarHBondContact O-N 3.1Å; V311-A314 PolarHBondContact O-N 3.39Å; E312-A314 VanDerWaalsContact C-N 3.32Å; E312-A314 PolarHBondContact O-N 3.18Å; A314-N317 CarbonylContact O-C 3.52Å; A314-S318 WeakPolarHBondContact O-CA 3.26Å; A314-S318 PolarHBondContact O-N 3.42Å
315	V	89.1	Confident	76.2	Confident	36 Å²	36	69.3 Å²	69.3	22%	0.218	36%	0.355	C	S	.	.	H	α-helix	trans	-63.7	-46.7	175.3	165	0	0	0	0	111	A265 V311 E312 N317 S318	A265-V315 WeakPolarHBondContact O-CG2 3.41Å; V311-V315 HydrophobicContact CG1-CG2 4.33Å; V311-V315 WeakPolarHBondContact O-CB 3.23Å; V311-V315 VanDerWaalsContact O-CG2 3.29Å; V311-V315 WeakPolarHBondContact O-CG2 3.31Å; V311-V315 PolarHBondContact O-N 2.77Å; E312-V315 PolarHBondContact O-N 2.79Å; V315-N317 PolarHBondContact O-N 2.81Å; V315-S318 VanDerWaalsContact O-CB 3.27Å; V315-S318 WeakPolarHBondContact O-CB 3.43Å; V315-S318 PolarHBondContact O-N 2.64Å
316	R	89	Confident	77.3	Confident	180 Å²	180	67.5 Å²	67.5	68%	0.679	34%	0.344	S	S	*	.	H	α-helix	trans	-63.4	-39.8	179.4	-170.3	-172.9	-55.2	-163.9	4.2	112.2	E312	E312-R316 WeakPolarHBondContact O-CB 3.34Å; E312-R316 PolarHBondContact O-N 2.77Å
317	N	91.5	Very high	78.5	Confident	68 Å²	68	61.9 Å²	61.9	36%	0.364	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	27.9	-179.4	-57.1	-63.2	0	0	0	112.5	R214 Y215 N313 A314 V315	R214-N317 WeakPolarHBondContact CA-O 3.5Å; R214-N317 WeakPolarHBondContact CD-O 3.46Å; Y215-N317 HydrophobicContact CD2-CB 3.73Å; Y215-N317 HydrophobicContact CE2-CB 4.03Å; Y215-N317 PolarHBondContact N-O 2.99Å; N313-N317 VanDerWaalsContact O-CB 3.32Å; N313-N317 WeakPolarHBondContact O-CB 3.45Å; N313-N317 PolarHBondContact O-N 2.97Å; N313-N317 VanDerWaalsContact O-N 3.08Å; N313-N317 PolarHBondContact O-ND2 2.84Å; A314-N317 CarbonylContact O-C 3.52Å; V315-N317 PolarHBondContact O-N 2.81Å
318	S	91.9	Very high	79.7	Confident	12 Å²	12	60.5 Å²	60.5	8%	0.084	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-62.3	153.3	176.6	-177.4	0	0	0	0	111.6	Y215 P264 A265 S266 A314 V315	Y215-S318 WeakPolarHBondContact O-CA 3.17Å; P264-S318 WeakPolarHBondContact CB-OG 3.3Å; A265-S318 PolarHBondContact N-OG 2.88Å; S266-S318 PolarHBondContact N-OG 3.07Å; A314-S318 WeakPolarHBondContact O-CA 3.26Å; A314-S318 PolarHBondContact O-N 3.42Å; V315-S318 VanDerWaalsContact O-CB 3.27Å; V315-S318 WeakPolarHBondContact O-CB 3.43Å; V315-S318 PolarHBondContact O-N 2.64Å
319	V	90.7	Very high	80.5	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.018	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-61.1	152.9	158	-62.4	0	0	0	0	110.9	F209 F210 R214 Y215 V216 I232 P264 F324	F209-V319 WeakPolarHBondContact O-CG1 3.3Å; F210-V319 HydrophobicContact CD1-CG1 4.13Å; R214-V319 HydrophobicContact CB-CG1 3.98Å; Y215-V319 PolarHBondContact O-N 3.31Å; V216-V319 HydrophobicContact CG1-CG1 4.01Å; V216-V319 HydrophobicContact CG1-CG2 3.8Å; I232-V319 HydrophobicContact CD1-CG1 3.8Å; P264-V319 HydrophobicContact CB-CG2 4.38Å; V319-F324 HydrophobicContact CB-CE2 4.47Å; V319-F324 HydrophobicContact CG2-CE2 3.62Å; V319-F324 HydrophobicContact CG2-CZ 3.91Å
320	P	86.6	Confident	81.2	Confident	55 Å²	55	58.9 Å²	58.9	36%	0.357	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-59.2	147.9	176.4	-26.5	36.6	0	0	0	113.8	F209 P323 F324	F209-P320 HydrophobicContact CD1-CB 4.44Å; F209-P320 HydrophobicContact CD1-CG 4.23Å; P320-P323 WeakPolarHBondContact O-CD 3.36Å; P320-P323 WeakPolarHBondContact O-CG 3.35Å; P320-F324 WeakPolarHBondContact O-CD2 3.49Å; P320-F324 WeakPolarHBondContact O-CE2 3.41Å
321	S	83.6	Confident	81.7	Confident	50 Å²	50	59 Å²	59	35%	0.35	30%	0.302	S	S	.	.	S	Bend	trans	-83.3	-29.4	-174	54.5	0	0	0	0	115.6	F324	S321-F324 PolarHBondContact O-N 3.25Å
322	K	74.3	Confident	82.1	Confident	139 Å²	139	65.3 Å²	65.3	60%	0.604	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-46.8	-46.3	179.4	-167.1	175.2	-175.1	179.8	0	115.1	F204 F324	F204-K322 HydrophobicContact CE2-CG 4.49Å; F204-K322 HydrophobicContact CZ-CD 4.4Å; F204-K322 HydrophobicContact CZ-CG 4.28Å; K322-F324 PolarHBondContact O-N 2.92Å; K322-F324 VanDerWaalsContact O-N 3.09Å
323	P	70.7	Confident	82.4	Confident	21 Å²	21	61.8 Å²	61.8	14%	0.136	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56	-23.7	174.3	3.4	-15.9	0	0	0	115.7	F204 F209 P320	F204-P323 HydrophobicContact CD1-CB 3.63Å; F204-P323 HydrophobicContact CD1-CG 4.41Å; F204-P323 HydrophobicContact CE1-CB 3.52Å; F204-P323 HydrophobicContact CE1-CG 3.8Å; F209-P323 HydrophobicContact CB-CG 3.99Å; F209-P323 HydrophobicContact CD1-CG 4.28Å; F209-P323 HydrophobicContact CD2-CG 4.2Å; F209-P323 HydrophobicContact CG-CG 3.86Å; P320-P323 WeakPolarHBondContact O-CD 3.36Å; P320-P323 WeakPolarHBondContact O-CG 3.35Å
324	F	76.8	Confident	82.3	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.035	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-106.3	-0.1	-167.1	-57.4	-89.8	0	0	0	114.3	F210 I262 P264 V319 P320 S321 K322 V326 C327 M328	F210-F324 HydrophobicContact CE1-CE1 4.33Å; F210-F324 AromaticContact CE1-CZ 3.73Å; F210-F324 HydrophobicContact CE1-CZ 3.73Å; F210-F324 HydrophobicContact CE2-CZ 4.42Å; F210-F324 AromaticContact CZ-CE1 3.87Å; F210-F324 HydrophobicContact CZ-CE1 3.87Å; F210-F324 AromaticContact CZ-CZ 3.49Å; F210-F324 HydrophobicContact CZ-CZ 3.49Å; F210-F324 VanDerWaalsContact CZ-CZ 3.49Å; I262-F324 HydrophobicContact CG2-CE1 4.15Å; I262-F324 WeakPolarHBondContact O-CD1 3.46Å; I262-F324 WeakPolarHBondContact O-CE1 3.24Å; P264-F324 HydrophobicContact CG-CB 4.18Å; P264-F324 HydrophobicContact CG-CD2 3.54Å; P264-F324 HydrophobicContact CG-CE2 4.11Å; P264-F324 HydrophobicContact CG-CG 4.01Å; V319-F324 HydrophobicContact CB-CE2 4.47Å; V319-F324 HydrophobicContact CG2-CE2 3.62Å; V319-F324 HydrophobicContact CG2-CZ 3.91Å; P320-F324 WeakPolarHBondContact O-CD2 3.49Å; P320-F324 WeakPolarHBondContact O-CE2 3.41Å; S321-F324 PolarHBondContact O-N 3.25Å; K322-F324 PolarHBondContact O-N 2.92Å; K322-F324 VanDerWaalsContact O-N 3.09Å; F324-V326 PolarHBondContact O-N 3.13Å; F324-V326 VanDerWaalsContact O-N 3.07Å; F324-C327 WeakPolarHBondContact O-CA 3.09Å; F324-C327 WeakPolarHBondContact O-CB 3.45Å; F324-C327 PolarHBondContact O-N 3.1Å; F324-M328 HydrophobicContact CB-CE 4.27Å; F324-M328 HydrophobicContact CB-CG 4.13Å; F324-M328 HydrophobicContact CB-SD 4.33Å; F324-M328 WeakPolarHBondContact O-CG 3.4Å; F324-M328 PolarHBondContact O-N 3.23Å
325	E	71.6	Confident	82.3	Confident	103 Å²	103	63 Å²	63	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-49	-41.5	-173.8	-71.6	176.5	-154.2	0	0	113.8	M328 Q329	E325-M328 HydrophobicContact CG-CE 4.32Å; E325-Q329 WeakPolarHBondContact O-CG 3.25Å; E325-Q329 PolarHBondContact O-N 3.04Å
326	V	67.8	Low	82.3	Confident	109 Å²	109	68 Å²	68	66%	0.661	35%	0.347	S	S	*	.	H	α-helix	trans	-68.2	-35.9	178.5	-179.1	0	0	0	0	112.2	F324 R391	F324-V326 PolarHBondContact O-N 3.13Å; F324-V326 VanDerWaalsContact O-N 3.07Å; V326-R391 PolarHBondContact O-NH1 3.17Å
327	C	69.3	Low	82.3	Confident	64 Å²	64	62.8 Å²	62.8	43%	0.432	34%	0.338	S	S	.	.	H	α-helix	trans	-78	-32.7	179.2	-63.8	0	0	0	0	111.9	F324 Q329	F324-C327 WeakPolarHBondContact O-CA 3.09Å; F324-C327 WeakPolarHBondContact O-CB 3.45Å; F324-C327 PolarHBondContact O-N 3.1Å; C327-Q329 PolarHBondContact O-N 3.13Å
328	M	77.9	Confident	82	Confident	13 Å²	13	60.5 Å²	60.5	6%	0.064	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-30.1	-179.9	-66.7	-173.1	-64.1	0	0	113.1	I263 P264 A267 M271 Y275 W277 F324 E325 L330	I263-M328 HydrophobicContact CG2-CG 4.41Å; P264-M328 HydrophobicContact CG-SD 4.24Å; A267-M328 HydrophobicContact CB-SD 3.51Å; A267-M328 VanDerWaalsContact CB-SD 3.51Å; M271-M328 HydrophobicContact CE-CB 4.47Å; Y275-M328 VanDerWaalsContact CE2-O 3.28Å; Y275-M328 WeakPolarHBondContact CE2-O 3.1Å; W277-M328 HydrophobicContact CH2-CB 4.43Å; F324-M328 HydrophobicContact CB-CE 4.27Å; F324-M328 HydrophobicContact CB-CG 4.13Å; F324-M328 HydrophobicContact CB-SD 4.33Å; F324-M328 WeakPolarHBondContact O-CG 3.4Å; F324-M328 PolarHBondContact O-N 3.23Å; E325-M328 HydrophobicContact CG-CE 4.32Å; M328-L330 PolarHBondContact O-N 3.4Å
329	Q	80.5	Confident	81.9	Confident	115 Å²	115	62.7 Å²	62.7	54%	0.537	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-76	120.8	-178.6	-69.1	173.9	23.6	0	0	112.9	E325 C327 R391	E325-Q329 WeakPolarHBondContact O-CG 3.25Å; E325-Q329 PolarHBondContact O-N 3.04Å; C327-Q329 PolarHBondContact O-N 3.13Å; Q329-R391 PolarHBondContact O-NH1 2.04Å
330	L	84.5	Confident	81.7	Confident	18 Å²	18	63 Å²	63	9%	0.094	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-94.7	131.3	174.8	-67.6	-178.3	0	0	0	112.9	Y275 W277 M328 Y364 Y365	Y275-L330 HydrophobicContact CD1-CB 4.26Å; Y275-L330 HydrophobicContact CD1-CD1 4.07Å; Y275-L330 HydrophobicContact CD2-CB 4.49Å; Y275-L330 HydrophobicContact CD2-CD1 3.84Å; Y275-L330 HydrophobicContact CD2-CG 4.06Å; Y275-L330 HydrophobicContact CE1-CB 3.96Å; Y275-L330 HydrophobicContact CE2-CB 4.22Å; Y275-L330 HydrophobicContact CE2-CD1 4.35Å; Y275-L330 HydrophobicContact CE2-CG 4.09Å; Y275-L330 HydrophobicContact CG-CD1 3.71Å; Y275-L330 HydrophobicContact CG-CG 4.32Å; Y275-L330 PolarHBondContact OH-N 2.92Å; W277-L330 HydrophobicContact CZ2-CD1 4.23Å; W277-L330 HydrophobicContact CZ2-CG 4.33Å; M328-L330 PolarHBondContact O-N 3.4Å; L330-Y364 HydrophobicContact CB-CD1 3.78Å; L330-Y364 HydrophobicContact CB-CE1 4.43Å; L330-Y364 HydrophobicContact CB-CG 4.14Å; L330-Y364 WeakPolarHBondContact O-CD1 3.41Å; L330-Y364 VanDerWaalsContact O-CE1 3.23Å; L330-Y364 WeakPolarHBondContact O-CE1 3.26Å; L330-Y365 HydrophobicContact CD1-CE2 3.74Å
331	E	84.9	Confident	81.9	Confident	72 Å²	72	60.3 Å²	60.3	34%	0.336	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-83.4	139.7	174.1	-72.2	171.6	-133	0	0	112.3	H333 R390 R391	E331-H333 PolarHBondContact O-N 2.91Å; E331-R390 HydrophobicContact CB-CB 4.31Å; E331-R390 HydrophobicContact CB-CG 4.13Å; E331-R390 IonicContact OE2-CZ 2.64Å; E331-R390 IonicContact OE2-NE 2.67Å; E331-R390 PolarHBondContact OE2-NE 3.26Å; E331-R390 IonicContact OE2-NH2 3.08Å; E331-R390 PolarHBondContact OE2-NH2 3.38Å; E331-R391 IonicContact OE1-CZ 3.55Å; E331-R391 VanDerWaalsContact OE1-CZ 3.23Å; E331-R391 IonicContact OE1-NE 3.19Å; E331-R391 PolarHBondContact OE1-NE 3.48Å; E331-R391 IonicContact OE1-NH2 3.13Å; E331-R391 PolarHBondContact OE1-NH2 3.35Å
332	R	87.7	Confident	82.2	Confident	163 Å²	163	58 Å²	58	62%	0.615	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-67.9	127.4	177	-63.1	-173.9	178.9	-176.3	0.3	111.3	N363 Y364 R390	R332-N363 VanDerWaalsContact CA-O 3.22Å; R332-N363 WeakPolarHBondContact CA-O 3.42Å; R332-N363 HydrophobicContact CG-CB 4.1Å; R332-Y364 HydrophobicContact CG-CD1 3.98Å; R332-Y364 HydrophobicContact CG-CE1 3.45Å; R332-Y364 VanDerWaalsContact CG-CE1 3.45Å; R332-Y364 PolarHBondContact NE-OH 2.97Å; R332-R390 VanDerWaalsContact O-CD 3.31Å; R332-R390 WeakPolarHBondContact O-CD 3.34Å
333	H	88	Confident	83	Confident	11 Å²	11	51.5 Å²	51.5	5%	0.051	28%	0.277	C	S	.	.			trans	-82.3	-36.3	-171.7	67.5	92.4	0	0	0	113.9	E331 L335 N362 N363 Y364 F366 R390 F432	E331-H333 PolarHBondContact O-N 2.91Å; H333-L335 HydrophobicContact CB-CG 4.4Å; H333-L335 VanDerWaalsContact ND1-CB 3.29Å; H333-L335 WeakPolarHBondContact ND1-CB 3.34Å; H333-L335 WeakPolarHBondContact ND1-CG 3.49Å; H333-L335 PolarHBondContact ND1-N 3.15Å; H333-L335 PolarHBondContact O-N 3.19Å; H333-N362 PolarHBondContact NE2-O 3.23Å; H333-N362 VanDerWaalsContact NE2-O 3.11Å; H333-N363 PolarHBondContact CD2-O 3.19Å; H333-N363 PolarHBondContact N-O 2.84Å; H333-N363 VanDerWaalsContact N-O 3.08Å; H333-Y364 VanDerWaalsContact CD2-C 3.48Å; H333-Y364 PolarHBondContact CD2-O 2.87Å; H333-F366 HydrophobicContact CB-CD1 4.19Å; H333-F366 HydrophobicContact CB-CE1 4.13Å; H333-F366 AromaticContact CG-CD1 3.74Å; H333-F366 AromaticContact ND1-CD1 3.74Å; H333-R390 HydrophobicContact CB-CB 4.05Å; H333-F432 HydrophobicContact CB-CE2 3.65Å; H333-F432 HydrophobicContact CB-CZ 4.2Å; H333-F432 WeakPolarHBondContact O-CD2 3.44Å
334	G	85	Confident	84	Confident	68 Å²	68	50.8 Å²	50.8	70%	0.701	27%	0.272	S	S	*	.			trans	70.1	13	176.8	0	0	0	0	0	115.8
335	L	87.8	Confident	84.4	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.073	27%	0.272	C	S	.	.			trans	-77.6	166.7	172.8	-51	-178	0	0	0	111.1	H333 V357 F366 C428 F432	H333-L335 HydrophobicContact CB-CG 4.4Å; H333-L335 VanDerWaalsContact ND1-CB 3.29Å; H333-L335 WeakPolarHBondContact ND1-CB 3.34Å; H333-L335 WeakPolarHBondContact ND1-CG 3.49Å; H333-L335 PolarHBondContact ND1-N 3.15Å; H333-L335 PolarHBondContact O-N 3.19Å; L335-V357 HydrophobicContact CD1-CG2 4.22Å; L335-F366 HydrophobicContact CD1-CD1 4.11Å; L335-F366 HydrophobicContact CD1-CD2 4.06Å; L335-F366 HydrophobicContact CD1-CE1 3.93Å; L335-F366 HydrophobicContact CD1-CE2 3.86Å; L335-F366 HydrophobicContact CD1-CG 4.19Å; L335-F366 HydrophobicContact CD1-CZ 3.8Å; L335-C428 HydrophobicContact CD2-CB 4.31Å; L335-F432 HydrophobicContact CD1-CE1 3.85Å; L335-F432 HydrophobicContact CD1-CE2 4.42Å; L335-F432 HydrophobicContact CD1-CZ 3.8Å; L335-F432 HydrophobicContact CD2-CD1 4.07Å; L335-F432 HydrophobicContact CD2-CD2 4.2Å; L335-F432 HydrophobicContact CD2-CE1 4.18Å; L335-F432 HydrophobicContact CD2-CE2 4.34Å; L335-F432 HydrophobicContact CD2-CG 4.08Å; L335-F432 HydrophobicContact CD2-CZ 4.33Å; L335-F432 HydrophobicContact CG-CE1 4.35Å; L335-F432 HydrophobicContact CG-CE2 4.27Å; L335-F432 HydrophobicContact CG-CZ 4.14Å
336	K	88.1	Confident	84.9	Confident	142 Å²	142	47.3 Å²	47.3	62%	0.617	26%	0.259	S	S	*	.			trans	-130.8	164.5	171.1	-52.1	-172.7	177.7	-169.8	0	109.5	Y339	K336-Y339 HydrophobicContact CB-CD2 3.93Å; K336-Y339 HydrophobicContact CB-CE2 3.75Å; K336-Y339 HydrophobicContact CG-CE2 4.19Å; K336-Y339 WeakPolarHBondContact O-CB 3.31Å; K336-Y339 VanDerWaalsContact O-CD2 3.23Å; K336-Y339 WeakPolarHBondContact O-CD2 3.2Å
337	S	89.2	Confident	85.2	Confident	70 Å²	70	43.8 Å²	43.8	49%	0.49	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	149	170.1	-178	0	0	0	0	111.2	Y339 V357 V358	S337-Y339 VanDerWaalsContact C-N 3.35Å; S337-V357 CarbonylContact C-O 3.58Å; S337-V357 VanDerWaalsContact CA-O 3.29Å; S337-V357 WeakPolarHBondContact CA-O 3.18Å; S337-V357 PolarHBondContact OG-O 2.97Å; S337-V358 PolarHBondContact OG-O 2.86Å
338	G	85.4	Confident	85.6	Confident	21 Å²	21	43 Å²	43	22%	0.216	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	16.2	-175.2	0	0	0	0	0	114.9	V357	G338-V357 PolarHBondContact N-O 3.07Å
339	Y	88.9	Confident	86	Confident	57 Å²	57	44.3 Å²	44.3	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	145.5	167.2	-85.7	-113.5	0	0	0	110.4	K336 S337 V357 K426 N427 C428	K336-Y339 HydrophobicContact CB-CD2 3.93Å; K336-Y339 HydrophobicContact CB-CE2 3.75Å; K336-Y339 HydrophobicContact CG-CE2 4.19Å; K336-Y339 WeakPolarHBondContact O-CB 3.31Å; K336-Y339 VanDerWaalsContact O-CD2 3.23Å; K336-Y339 WeakPolarHBondContact O-CD2 3.2Å; S337-Y339 VanDerWaalsContact C-N 3.35Å; Y339-V357 PolarHBondContact O-N 2.94Å; Y339-K426 WeakPolarHBondContact CA-O 3.44Å; Y339-K426 HydrophobicContact CD2-CB 4.34Å; Y339-K426 HydrophobicContact CE2-CB 4.37Å; Y339-K426 HydrophobicContact CE2-CD 4.47Å; Y339-K426 HydrophobicContact CG-CB 4.47Å; Y339-N427 VanDerWaalsContact CE1-O 3.26Å; Y339-N427 WeakPolarHBondContact CE1-O 3.13Å; Y339-C428 HydrophobicContact CD1-CB 4.49Å
340	Y	88	Confident	86.2	Confident	9 Å²	9	41 Å²	41	4%	0.035	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.4	-178.6	-63.9	-86.2	0	0	0	112.2	A355 E356 F371 W416 F419 R423 V425 K426	Y340-A355 WeakPolarHBondContact CA-O 3.46Å; Y340-E356 HydrophobicContact CD1-CB 3.94Å; Y340-E356 HydrophobicContact CD1-CG 4.25Å; Y340-E356 HydrophobicContact CE1-CB 3.65Å; Y340-E356 VanDerWaalsContact CE1-CD 3.48Å; Y340-E356 HydrophobicContact CE1-CG 3.66Å; Y340-E356 VanDerWaalsContact OH-CD 3.26Å; Y340-E356 PolarHBondContact OH-OE1 3.14Å; Y340-F371 HydrophobicContact CD1-CE2 4.45Å; Y340-F371 HydrophobicContact CE1-CE2 4.26Å; Y340-F371 HydrophobicContact CE1-CZ 4.44Å; Y340-W416 HydrophobicContact CD1-CZ3 4.37Å; Y340-W416 HydrophobicContact CG-CZ3 4.37Å; Y340-F419 AromaticContact CD1-CE1 3.83Å; Y340-F419 HydrophobicContact CD1-CE1 3.83Å; Y340-F419 HydrophobicContact CD1-CZ 4.27Å; Y340-F419 AromaticContact CE1-CE1 3.47Å; Y340-F419 HydrophobicContact CE1-CE1 3.47Å; Y340-F419 VanDerWaalsContact CE1-CE1 3.47Å; Y340-F419 AromaticContact CE1-CZ 3.61Å; Y340-F419 HydrophobicContact CE1-CZ 3.61Å; Y340-F419 HydrophobicContact CE2-CE1 4.34Å; Y340-F419 HydrophobicContact CG-CE1 4.41Å; Y340-F419 AromaticContact CZ-CE1 3.75Å; Y340-R423 PolarHBondContact OH-NH1 3.46Å; Y340-R423 VanDerWaalsContact OH-NH1 3.1Å; Y340-V425 HydrophobicContact CD2-CB 4.24Å; Y340-V425 HydrophobicContact CD2-CG1 3.77Å; Y340-V425 HydrophobicContact CD2-CG2 4.32Å; Y340-V425 HydrophobicContact CE2-CG2 4.33Å; Y340-V425 HydrophobicContact CG-CG1 4.24Å; Y340-K426 PolarHBondContact N-O 3.47Å
341	L	89.9	Confident	86.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	-177.7	-179.1	64.6	148	0	0	0	111.1	V343 A355 V357 V368 F395	L341-V343 HydrophobicContact CD1-CG2 3.55Å; L341-V343 HydrophobicContact CG-CG2 4.01Å; L341-A355 PolarHBondContact N-O 2.84Å; L341-A355 PolarHBondContact O-N 3.01Å; L341-V357 HydrophobicContact CD2-CG2 3.5Å; L341-V357 VanDerWaalsContact CD2-CG2 3.5Å; L341-V368 HydrophobicContact CD1-CG1 4.46Å; L341-V368 HydrophobicContact CD2-CG1 4.06Å; L341-F395 HydrophobicContact CD1-CB 4.06Å; L341-F395 HydrophobicContact CD1-CD2 4.29Å; L341-F395 HydrophobicContact CD1-CG 4.33Å
342	E	90.6	Very high	86.6	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.5	174.6	-63.9	173.7	178	0	0	109.4	Y353 F395 A396 G399 W400 C401 L408 W416	E342-Y353 CarbonylContact C-O 3.54Å; E342-Y353 WeakPolarHBondContact CA-O 3.35Å; E342-F395 CarbonylContact O-C 3.55Å; E342-F395 WeakPolarHBondContact O-CA 3.39Å; E342-A396 HydrophobicContact CB-CB 4.4Å; E342-A396 PolarHBondContact N-O 3.28Å; E342-A396 PolarHBondContact O-N 2.98Å; E342-G399 VanDerWaalsContact OE1-CA 3.28Å; E342-G399 WeakPolarHBondContact OE1-CA 3.4Å; E342-G399 PolarHBondContact OE1-N 3.06Å; E342-W400 PolarHBondContact OE2-N 2.86Å; E342-C401 VanDerWaalsContact OE2-CB 3.23Å; E342-C401 WeakPolarHBondContact OE2-CB 3.29Å; E342-C401 PolarHBondContact OE2-N 2.99Å; E342-C401 PolarHBondContact OE2-SG 2.94Å; E342-L408 HydrophobicContact CB-CD2 4.27Å; E342-L408 HydrophobicContact CG-CD1 4.43Å; E342-L408 HydrophobicContact CG-CD2 3.87Å; E342-W416 HydrophobicContact CG-CZ2 3.84Å; E342-W416 PolarHBondContact OE1-NE1 3.49Å
343	V	91.2	Very high	86.7	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.5	-172.2	175.6	0	0	0	0	109.5	L341 H345 F352 Y353 A355 V368 L370 L388 F395	L341-V343 HydrophobicContact CD1-CG2 3.55Å; L341-V343 HydrophobicContact CG-CG2 4.01Å; V343-H345 PolarHBondContact O-N 3.32Å; V343-F352 WeakPolarHBondContact O-CA 3.42Å; V343-Y353 PolarHBondContact N-O 3.04Å; V343-Y353 PolarHBondContact O-N 2.92Å; V343-A355 HydrophobicContact CB-CB 4.1Å; V343-A355 HydrophobicContact CG2-CB 3.64Å; V343-V368 HydrophobicContact CG2-CG2 4.32Å; V343-L370 HydrophobicContact CB-CD1 4.27Å; V343-L370 HydrophobicContact CG1-CD1 4.08Å; V343-L388 HydrophobicContact CG2-CD1 4.41Å; V343-F395 HydrophobicContact CG2-CB 4.13Å
344	L	90.6	Very high	86.8	Confident	6 Å²	6	29.4 Å²	29.4	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	130.3	165.9	-179.6	61.7	0	0	0	108.7	P346 R349 F352 G394 I487	L344-P346 WeakPolarHBondContact O-CD 3.03Å; L344-P346 VanDerWaalsContact O-N 3.09Å; L344-R349 HydrophobicContact CD2-CB 4.18Å; L344-R349 HydrophobicContact CD2-CG 4.2Å; L344-R349 HydrophobicContact CG-CB 4.4Å; L344-R349 HydrophobicContact CG-CG 4.46Å; L344-F352 HydrophobicContact CB-CD1 4.02Å; L344-F352 HydrophobicContact CB-CE1 3.83Å; L344-F352 HydrophobicContact CB-CZ 4.21Å; L344-G394 WeakPolarHBondContact CB-O 3.41Å; L344-G394 PolarHBondContact N-O 3.18Å; L344-I487 HydrophobicContact CD1-CB 3.83Å; L344-I487 HydrophobicContact CD1-CD1 3.77Å; L344-I487 HydrophobicContact CD1-CG1 4.18Å; L344-I487 HydrophobicContact CD1-CG2 4.36Å; L344-I487 HydrophobicContact CD2-CB 3.91Å; L344-I487 HydrophobicContact CD2-CG2 4.13Å; L344-I487 VanDerWaalsContact CD2-O 3.27Å; L344-I487 WeakPolarHBondContact CD2-O 3.39Å
345	H	86.4	Confident	87	Confident	8 Å²	8	26.1 Å²	26.1	4%	0.037	14%	0.138	C	C	.	.			trans	-57.3	113.8	-180	-170.3	-89.1	0	0	0	111.2	V343 V347 D348 R349 A351 Y353 Q384	V343-H345 PolarHBondContact O-N 3.32Å; H345-V347 VanDerWaalsContact C-N 3.25Å; H345-V347 PolarHBondContact O-N 2.92Å; H345-V347 VanDerWaalsContact O-N 3.09Å; H345-D348 HydrophobicContact CB-CB 4.43Å; H345-D348 IonicContact CE1-OD1 3.79Å; H345-D348 PolarHBondContact CE1-OD1 3.06Å; H345-D348 WeakPolarHBondContact ND1-CB 3.46Å; H345-D348 VanDerWaalsContact ND1-CG 3.35Å; H345-D348 PolarHBondContact ND1-N 2.67Å; H345-D348 VanDerWaalsContact ND1-N 3.19Å; H345-D348 IonicContact ND1-OD1 3.24Å; H345-D348 PolarHBondContact ND1-OD1 3.46Å; H345-D348 VanDerWaalsContact ND1-OD1 3.17Å; H345-R349 VanDerWaalsContact O-CA 3.3Å; H345-R349 WeakPolarHBondContact O-CA 3.28Å; H345-R349 PolarHBondContact O-N 2.9Å; H345-A351 PolarHBondContact N-O 2.87Å; H345-A351 VanDerWaalsContact N-O 3.08Å; H345-Y353 HydrophobicContact CB-CD2 4.03Å; H345-Y353 HydrophobicContact CB-CE2 3.9Å; H345-Q384 PolarHBondContact NE2-OE1 3.48Å; H345-Q384 VanDerWaalsContact NE2-OE1 3.14Å
346	P	80.9	Confident	87.1	Confident	30 Å²	30	26.9 Å²	26.9	20%	0.195	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.9	-165.1	-29.6	38.6	0	0	0	115.8	L344 F386	L344-P346 WeakPolarHBondContact O-CD 3.03Å; L344-P346 VanDerWaalsContact O-N 3.09Å; P346-F386 HydrophobicContact CB-CD1 4.08Å; P346-F386 HydrophobicContact CB-CE1 4.16Å; P346-F386 HydrophobicContact CG-CB 4.31Å; P346-F386 HydrophobicContact CG-CD1 3.73Å; P346-F386 HydrophobicContact CG-CD2 4.15Å; P346-F386 HydrophobicContact CG-CE1 4.02Å; P346-F386 HydrophobicContact CG-CE2 4.42Å; P346-F386 HydrophobicContact CG-CG 3.79Å; P346-F386 HydrophobicContact CG-CZ 4.35Å
347	V	74.8	Confident	87.2	Confident	35 Å²	35	20.1 Å²	20.1	21%	0.212	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-73.3	176.5	-176.1	0	0	0	0	110.6	V222 P287 H345 R349	V222-V347 HydrophobicContact CG1-CG2 3.58Å; P287-V347 HydrophobicContact CB-CG1 3.98Å; P287-V347 HydrophobicContact CB-CG2 3.86Å; P287-V347 HydrophobicContact CG-CG1 4.28Å; P287-V347 HydrophobicContact CG-CG2 4.21Å; H345-V347 VanDerWaalsContact C-N 3.25Å; H345-V347 PolarHBondContact O-N 2.92Å; H345-V347 VanDerWaalsContact O-N 3.09Å; V347-R349 VanDerWaalsContact C-N 3.25Å; V347-R349 PolarHBondContact O-N 3.17Å
348	D	76.4	Confident	87.3	Confident	47 Å²	47	18.7 Å²	18.7	25%	0.251	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-37	-178.4	-57.7	25.7	0	0	0	114.6	H345 D350 K410	H345-D348 HydrophobicContact CB-CB 4.43Å; H345-D348 IonicContact CE1-OD1 3.79Å; H345-D348 PolarHBondContact CE1-OD1 3.06Å; H345-D348 WeakPolarHBondContact ND1-CB 3.46Å; H345-D348 VanDerWaalsContact ND1-CG 3.35Å; H345-D348 PolarHBondContact ND1-N 2.67Å; H345-D348 VanDerWaalsContact ND1-N 3.19Å; H345-D348 IonicContact ND1-OD1 3.24Å; H345-D348 PolarHBondContact ND1-OD1 3.46Å; H345-D348 VanDerWaalsContact ND1-OD1 3.17Å; D348-D350 WeakPolarHBondContact CB-OD1 3.42Å; D348-D350 PolarHBondContact O-N 2.84Å; D348-D350 VanDerWaalsContact O-N 3.15Å; D348-K410 IonicContact OD2-NZ 3.56Å; D348-K410 PolarHBondContact OD2-NZ 3.15Å
349	R	87.1	Confident	87.6	Confident	41 Å²	41	21.6 Å²	21.6	16%	0.155	11%	0.111	C	C	.	.			trans	48.9	30	-173	-65.1	-172.8	68.2	147.8	11.6	114.9	L344 H345 V347 R486 I487	L344-R349 HydrophobicContact CD2-CB 4.18Å; L344-R349 HydrophobicContact CD2-CG 4.2Å; L344-R349 HydrophobicContact CG-CB 4.4Å; L344-R349 HydrophobicContact CG-CG 4.46Å; H345-R349 VanDerWaalsContact O-CA 3.3Å; H345-R349 WeakPolarHBondContact O-CA 3.28Å; H345-R349 PolarHBondContact O-N 2.9Å; V347-R349 VanDerWaalsContact C-N 3.25Å; V347-R349 PolarHBondContact O-N 3.17Å; R349-R486 HydrophobicContact CB-CB 4.45Å; R349-R486 HydrophobicContact CB-CG 4.38Å; R349-R486 CarbonylContact O-C 3.59Å; R349-R486 WeakPolarHBondContact O-CA 3.34Å; R349-I487 PolarHBondContact NE-O 2.97Å; R349-I487 PolarHBondContact NH2-O 3.48Å; R349-I487 VanDerWaalsContact NH2-O 3.07Å; R349-I487 WeakPolarHBondContact O-CB 3.4Å; R349-I487 PolarHBondContact O-N 2.78Å
350	D	85.1	Confident	87.8	Confident	46 Å²	46	21.2 Å²	21.2	25%	0.246	11%	0.114	C	C	.	.	S	Bend	trans	-104.6	-21.5	-176	65.7	-6.2	0	0	0	114.6	D348 K410	D348-D350 WeakPolarHBondContact CB-OD1 3.42Å; D348-D350 PolarHBondContact O-N 2.84Å; D348-D350 VanDerWaalsContact O-N 3.15Å; D350-K410 VanDerWaalsContact CG-CE 3.45Å; D350-K410 WeakPolarHBondContact OD1-CE 3.16Å; D350-K410 IonicContact OD1-NZ 3.25Å; D350-K410 PolarHBondContact OD1-NZ 3.22Å; D350-K410 WeakPolarHBondContact OD2-CE 3.43Å; D350-K410 IonicContact OD2-NZ 2.7Å; D350-K410 PolarHBondContact OD2-NZ 3.36Å
351	A	87.9	Confident	87.9	Confident	4 Å²	4	24.7 Å²	24.7	3%	0.033	13%	0.133	C	C	.	.			trans	-147	145.5	177.2	0	0	0	0	0	113.3	H345 Y353 K410	H345-A351 PolarHBondContact N-O 2.87Å; H345-A351 VanDerWaalsContact N-O 3.08Å; A351-Y353 HydrophobicContact CB-CD2 4.44Å; A351-Y353 HydrophobicContact CB-CE2 3.86Å; A351-Y353 VanDerWaalsContact O-CD2 3.3Å; A351-Y353 WeakPolarHBondContact O-CD2 3.41Å; A351-K410 HydrophobicContact CB-CG 4.24Å
352	F	90.8	Very high	87.9	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.1	163.3	-72.4	-89.5	0	0	0	110.1	V343 L344 A396 W400 C401 I406 L408 G409 F472 W474 I487	V343-F352 WeakPolarHBondContact O-CA 3.42Å; L344-F352 HydrophobicContact CB-CD1 4.02Å; L344-F352 HydrophobicContact CB-CE1 3.83Å; L344-F352 HydrophobicContact CB-CZ 4.21Å; F352-A396 HydrophobicContact CE1-CB 4.42Å; F352-W400 HydrophobicContact CE2-CZ3 4.05Å; F352-W400 HydrophobicContact CZ-CZ3 4.19Å; F352-C401 WeakPolarHBondContact CB-SG 3.31Å; F352-I406 HydrophobicContact CD2-CG2 4.42Å; F352-L408 HydrophobicContact CB-CD2 3.97Å; F352-L408 CarbonylContact O-C 3.54Å; F352-L408 WeakPolarHBondContact O-CA 3.46Å; F352-G409 PolarHBondContact O-N 3.25Å; F352-F472 HydrophobicContact CE1-CD2 4.47Å; F352-F472 HydrophobicContact CE1-CE1 4.49Å; F352-F472 HydrophobicContact CE1-CE2 4.04Å; F352-F472 HydrophobicContact CE1-CZ 4.06Å; F352-F472 HydrophobicContact CE2-CD2 4.36Å; F352-F472 HydrophobicContact CE2-CG 4.4Å; F352-F472 AromaticContact CZ-CD1 3.98Å; F352-F472 HydrophobicContact CZ-CD1 3.98Å; F352-F472 AromaticContact CZ-CD2 3.63Å; F352-F472 HydrophobicContact CZ-CD2 3.63Å; F352-F472 HydrophobicContact CZ-CE1 4.03Å; F352-F472 AromaticContact CZ-CE2 3.64Å; F352-F472 HydrophobicContact CZ-CE2 3.64Å; F352-F472 AromaticContact CZ-CG 3.79Å; F352-F472 HydrophobicContact CZ-CG 3.79Å; F352-F472 AromaticContact CZ-CZ 3.85Å; F352-F472 HydrophobicContact CZ-CZ 3.85Å; F352-W474 HydrophobicContact CE2-CH2 4.38Å; F352-W474 HydrophobicContact CE2-CZ2 4.25Å; F352-I487 HydrophobicContact CD2-CD1 4.14Å; F352-I487 HydrophobicContact CE2-CD1 4.07Å; F352-I487 HydrophobicContact CE2-CG2 3.99Å; F352-I487 HydrophobicContact CZ-CG2 4.38Å
353	Y	89.8	Confident	87.9	Confident	14 Å²	14	31.8 Å²	31.8	6%	0.055	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.3	174.4	-71.8	-95.8	0	0	0	109.9	E342 V343 H345 A351 L370 T372 K410	E342-Y353 CarbonylContact C-O 3.54Å; E342-Y353 WeakPolarHBondContact CA-O 3.35Å; V343-Y353 PolarHBondContact N-O 3.04Å; V343-Y353 PolarHBondContact O-N 2.92Å; H345-Y353 HydrophobicContact CB-CD2 4.03Å; H345-Y353 HydrophobicContact CB-CE2 3.9Å; A351-Y353 HydrophobicContact CB-CD2 4.44Å; A351-Y353 HydrophobicContact CB-CE2 3.86Å; A351-Y353 VanDerWaalsContact O-CD2 3.3Å; A351-Y353 WeakPolarHBondContact O-CD2 3.41Å; Y353-L370 HydrophobicContact CD2-CD2 4.22Å; Y353-L370 HydrophobicContact CG-CD2 4.19Å; Y353-T372 HydrophobicContact CD1-CG2 4.4Å; Y353-T372 HydrophobicContact CE1-CG2 4.24Å; Y353-K410 WeakPolarHBondContact OH-CD 3.17Å; Y353-K410 WeakPolarHBondContact OH-CE 3.4Å; Y353-K410 WeakPolarHBondContact OH-CG 3.48Å
354	P	88.9	Confident	87.8	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.4	167.5	5.3	11.3	0	0	0	108.2	F371 L408 F414 W416	P354-F371 HydrophobicContact CB-CD2 4.15Å; P354-F371 HydrophobicContact CG-CB 4.34Å; P354-F371 WeakPolarHBondContact O-CD2 3.49Å; P354-F371 PolarHBondContact O-N 2.91Å; P354-L408 HydrophobicContact CG-CB 4.3Å; P354-L408 HydrophobicContact CG-CD1 4.38Å; P354-F414 HydrophobicContact CB-CD1 4.05Å; P354-F414 HydrophobicContact CB-CD2 4.4Å; P354-F414 HydrophobicContact CB-CE1 3.69Å; P354-F414 HydrophobicContact CB-CE2 4.07Å; P354-F414 HydrophobicContact CB-CG 4.39Å; P354-F414 HydrophobicContact CB-CZ 3.7Å; P354-F414 HydrophobicContact CG-CB 4.1Å; P354-F414 HydrophobicContact CG-CD1 3.41Å; P354-F414 VanDerWaalsContact CG-CD1 3.41Å; P354-F414 HydrophobicContact CG-CD2 3.62Å; P354-F414 HydrophobicContact CG-CE1 3.6Å; P354-F414 HydrophobicContact CG-CE2 3.8Å; P354-F414 HydrophobicContact CG-CG 3.42Å; P354-F414 VanDerWaalsContact CG-CG 3.42Å; P354-F414 HydrophobicContact CG-CZ 3.79Å; P354-W416 HydrophobicContact CB-CH2 3.79Å; P354-W416 HydrophobicContact CB-CZ2 3.73Å
355	A	89.4	Confident	87.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.6	-178.5	0	0	0	0	0	113.1	Y340 L341 V343 V368 Q369 L370	Y340-A355 WeakPolarHBondContact CA-O 3.46Å; L341-A355 PolarHBondContact N-O 2.84Å; L341-A355 PolarHBondContact O-N 3.01Å; V343-A355 HydrophobicContact CB-CB 4.1Å; V343-A355 HydrophobicContact CG2-CB 3.64Å; A355-V368 HydrophobicContact CB-CB 4.26Å; A355-Q369 VanDerWaalsContact CA-O 3.25Å; A355-Q369 WeakPolarHBondContact CA-O 3.35Å; A355-L370 HydrophobicContact CB-CD1 4.12Å; A355-L370 HydrophobicContact CB-CG 4.42Å
356	E	89.4	Confident	88.2	Confident	30 Å²	30	31.8 Å²	31.8	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.6	176.1	-179.6	161.1	-144.5	0	0	109.6	Y340 V358 V368 Q369 F371 R423	Y340-E356 HydrophobicContact CD1-CB 3.94Å; Y340-E356 HydrophobicContact CD1-CG 4.25Å; Y340-E356 HydrophobicContact CE1-CB 3.65Å; Y340-E356 VanDerWaalsContact CE1-CD 3.48Å; Y340-E356 HydrophobicContact CE1-CG 3.66Å; Y340-E356 VanDerWaalsContact OH-CD 3.26Å; Y340-E356 PolarHBondContact OH-OE1 3.14Å; E356-V358 HydrophobicContact CB-CG1 4.43Å; E356-V358 HydrophobicContact CG-CG1 4.18Å; E356-V358 PolarHBondContact O-N 2.67Å; E356-V368 CarbonylContact O-C 3.58Å; E356-V368 WeakPolarHBondContact O-CA 3.43Å; E356-Q369 PolarHBondContact N-O 3.22Å; E356-Q369 PolarHBondContact O-N 3.09Å; E356-F371 HydrophobicContact CB-CE2 3.82Å; E356-F371 HydrophobicContact CB-CZ 3.79Å; E356-R423 IonicContact OE1-NH1 3.23Å; E356-R423 PolarHBondContact OE1-NH1 2.03Å; E356-R423 IonicContact OE2-NH1 3.51Å; E356-R423 PolarHBondContact OE2-NH1 2.85Å
357	V	91.4	Very high	88.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	98.4	167.5	-177.6	0	0	0	0	107.1	L335 S337 G338 Y339 L341 V360 F366 V368	L335-V357 HydrophobicContact CD1-CG2 4.22Å; S337-V357 CarbonylContact C-O 3.58Å; S337-V357 VanDerWaalsContact CA-O 3.29Å; S337-V357 WeakPolarHBondContact CA-O 3.18Å; S337-V357 PolarHBondContact OG-O 2.97Å; G338-V357 PolarHBondContact N-O 3.07Å; Y339-V357 PolarHBondContact O-N 2.94Å; L341-V357 HydrophobicContact CD2-CG2 3.5Å; L341-V357 VanDerWaalsContact CD2-CG2 3.5Å; V357-V360 HydrophobicContact CG1-CG2 4.07Å; V357-F366 HydrophobicContact CG1-CB 4.17Å; V357-F366 HydrophobicContact CG1-CD2 4.31Å; V357-F366 HydrophobicContact CG2-CD2 4.26Å; V357-V368 HydrophobicContact CG2-CG1 4.38Å
358	V	91.3	Very high	89.5	Confident	39 Å²	39	29.9 Å²	29.9	24%	0.236	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-35.1	-177.7	-70.9	0	0	0	0	111.8	S337 E356 V367 Q369	S337-V358 PolarHBondContact OG-O 2.86Å; E356-V358 HydrophobicContact CB-CG1 4.43Å; E356-V358 HydrophobicContact CG-CG1 4.18Å; E356-V358 PolarHBondContact O-N 2.67Å; V358-V367 HydrophobicContact CG2-CB 4.21Å; V358-V367 HydrophobicContact CG2-CG1 3.9Å; V358-V367 WeakPolarHBondContact CG2-O 3.35Å; V358-V367 PolarHBondContact N-O 2.9Å; V358-Q369 HydrophobicContact CG1-CB 3.56Å; V358-Q369 HydrophobicContact CG1-CG 4.45Å; V358-Q369 HydrophobicContact CG2-CB 4.12Å
359	N	91.2	Very high	90.1	Very high	83 Å²	83	28.7 Å²	28.7	44%	0.444	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153	-179.9	-161.3	6.8	0	0	0	111.6	F366 V367	N359-F366 WeakPolarHBondContact O-CA 3.49Å; N359-V367 HydrophobicContact CB-CB 4.16Å; N359-V367 HydrophobicContact CB-CG2 4.39Å; N359-V367 PolarHBondContact N-O 2.87Å; N359-V367 PolarHBondContact O-N 2.98Å
360	V	92.2	Very high	90.2	Very high	48 Å²	48	26.8 Å²	26.8	29%	0.291	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.3	169.9	172	0	0	0	0	106.4	V357 N362 F366	V357-V360 HydrophobicContact CG1-CG2 4.07Å; V360-N362 WeakPolarHBondContact CG1-O 3.19Å; V360-F366 HydrophobicContact CG2-CB 4.24Å
361	L	90.4	Very high	90	Very high	83 Å²	83	26.9 Å²	26.9	44%	0.435	14%	0.142	S	C	.	.			trans	-82.2	-41.3	-169.6	-59	176.6	0	0	0	111.5	Y365 V367 K387	L361-Y365 PolarHBondContact N-O 2.96Å; L361-V367 HydrophobicContact CD1-CG2 3.83Å; L361-V367 HydrophobicContact CD2-CG2 3.97Å; L361-V367 HydrophobicContact CG-CG2 3.93Å; L361-K387 HydrophobicContact CD1-CD 3.78Å; L361-K387 HydrophobicContact CD1-CG 3.92Å
362	N	89.8	Confident	89	Confident	52 Å²	52	28.2 Å²	28.2	28%	0.278	15%	0.149	S	C	.	.	S	Bend	trans	-156.9	-164.1	172.8	61.9	22.9	0	0	0	109.1	Y275 H333 V360 Y364 Y365	Y275-N362 PolarHBondContact O-ND2 3.05Å; H333-N362 PolarHBondContact NE2-O 3.23Å; H333-N362 VanDerWaalsContact NE2-O 3.11Å; V360-N362 WeakPolarHBondContact CG1-O 3.19Å; N362-Y364 PolarHBondContact O-N 2.8Å; N362-Y364 WeakPolarHBondContact OD1-CA 3.38Å; N362-Y364 WeakPolarHBondContact OD1-CB 3.32Å; N362-Y364 PolarHBondContact OD1-N 2.7Å; N362-Y365 PolarHBondContact N-O 2.87Å; N362-Y365 PolarHBondContact OD1-N 3.18Å
363	N	90	Very high	87.5	Confident	97 Å²	97	32.8 Å²	32.8	52%	0.519	17%	0.174	S	C	.	.	S	Bend	trans	-67.8	-10.5	179.3	-72.6	-63.5	0	0	0	114.6	R332 H333	R332-N363 VanDerWaalsContact CA-O 3.22Å; R332-N363 WeakPolarHBondContact CA-O 3.42Å; R332-N363 HydrophobicContact CG-CB 4.1Å; H333-N363 PolarHBondContact CD2-O 3.19Å; H333-N363 PolarHBondContact N-O 2.84Å; H333-N363 VanDerWaalsContact N-O 3.08Å
364	Y	90.9	Very high	85.5	Confident	16 Å²	16	34.9 Å²	34.9	6%	0.063	19%	0.188	C	C	.	.	S	Bend	trans	-117.5	-39.7	-169.5	-53.4	-71.6	0	0	0	112.5	E274 Y275 L330 R332 H333 N362 H389	E274-Y364 HydrophobicContact CG-CE2 4.49Å; E274-Y364 PolarHBondContact OE1-OH 2.8Å; Y275-Y364 HydrophobicContact CD1-CD1 4.43Å; Y275-Y364 AromaticContact CD1-CD2 3.5Å; Y275-Y364 HydrophobicContact CD1-CD2 3.5Å; Y275-Y364 HydrophobicContact CD1-CE1 4.44Å; Y275-Y364 AromaticContact CD1-CE2 3.5Å; Y275-Y364 HydrophobicContact CD1-CE2 3.5Å; Y275-Y364 VanDerWaalsContact CD1-CE2 3.5Å; Y275-Y364 AromaticContact CD1-CG 3.98Å; Y275-Y364 HydrophobicContact CD1-CG 3.98Å; Y275-Y364 AromaticContact CD1-CZ 3.99Å; Y275-Y364 HydrophobicContact CE1-CD1 4.23Å; Y275-Y364 AromaticContact CE1-CD2 3.95Å; Y275-Y364 HydrophobicContact CE1-CD2 3.95Å; Y275-Y364 AromaticContact CE1-CE1 3.92Å; Y275-Y364 HydrophobicContact CE1-CE1 3.92Å; Y275-Y364 AromaticContact CE1-CE2 3.59Å; Y275-Y364 HydrophobicContact CE1-CE2 3.59Å; Y275-Y364 HydrophobicContact CE1-CG 4.24Å; Y275-Y364 AromaticContact CE1-CZ 3.57Å; L330-Y364 HydrophobicContact CB-CD1 3.78Å; L330-Y364 HydrophobicContact CB-CE1 4.43Å; L330-Y364 HydrophobicContact CB-CG 4.14Å; L330-Y364 WeakPolarHBondContact O-CD1 3.41Å; L330-Y364 VanDerWaalsContact O-CE1 3.23Å; L330-Y364 WeakPolarHBondContact O-CE1 3.26Å; R332-Y364 HydrophobicContact CG-CD1 3.98Å; R332-Y364 HydrophobicContact CG-CE1 3.45Å; R332-Y364 VanDerWaalsContact CG-CE1 3.45Å; R332-Y364 PolarHBondContact NE-OH 2.97Å; H333-Y364 VanDerWaalsContact CD2-C 3.48Å; H333-Y364 PolarHBondContact CD2-O 2.87Å; N362-Y364 PolarHBondContact O-N 2.8Å; N362-Y364 WeakPolarHBondContact OD1-CA 3.38Å; N362-Y364 WeakPolarHBondContact OD1-CB 3.32Å; N362-Y364 PolarHBondContact OD1-N 2.7Å; Y364-H389 WeakPolarHBondContact O-CA 3.45Å; Y364-H389 VanDerWaalsContact O-CB 3.25Å; Y364-H389 WeakPolarHBondContact O-CB 3.46Å
365	Y	91.9	Very high	83.3	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.5	-178.2	-66.8	-75.4	0	0	0	114.2	P224 G225 W277 L330 L361 N362 K387 L388 H389	P224-Y365 HydrophobicContact CB-CD1 4.48Å; P224-Y365 HydrophobicContact CB-CE1 3.81Å; G225-Y365 VanDerWaalsContact CA-OH 3.22Å; G225-Y365 WeakPolarHBondContact CA-OH 3.1Å; G225-Y365 PolarHBondContact N-OH 3.11Å; W277-Y365 AromaticContact NE1-CE2 3.96Å; W277-Y365 AromaticContact NE1-CZ 3.86Å; W277-Y365 PolarHBondContact NE1-OH 2.91Å; L330-Y365 HydrophobicContact CD1-CE2 3.74Å; L361-Y365 PolarHBondContact N-O 2.96Å; N362-Y365 PolarHBondContact N-O 2.87Å; N362-Y365 PolarHBondContact OD1-N 3.18Å; Y365-K387 HydrophobicContact CD1-CD 4.33Å; Y365-K387 VanDerWaalsContact CD1-CE 3.49Å; Y365-K387 HydrophobicContact CD1-CG 4.05Å; Y365-K387 VanDerWaalsContact CG-CE 3.42Å; Y365-K387 HydrophobicContact CG-CG 4.49Å; Y365-L388 CarbonylContact C-O 3.6Å; Y365-L388 VanDerWaalsContact CA-O 3.31Å; Y365-L388 WeakPolarHBondContact CA-O 3.37Å; Y365-H389 HydrophobicContact CD1-CB 3.72Å; Y365-H389 HydrophobicContact CE1-CB 3.81Å; Y365-H389 AromaticContact CE1-CD2 3.85Å; Y365-H389 AromaticContact CE1-CG 3.99Å
366	F	92.8	Very high	80.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	162	173.3	57.5	-83.6	0	0	0	110.9	H333 L335 V357 N359 V360 V368 K387 L388 F432	H333-F366 HydrophobicContact CB-CD1 4.19Å; H333-F366 HydrophobicContact CB-CE1 4.13Å; H333-F366 AromaticContact CG-CD1 3.74Å; H333-F366 AromaticContact ND1-CD1 3.74Å; L335-F366 HydrophobicContact CD1-CD1 4.11Å; L335-F366 HydrophobicContact CD1-CD2 4.06Å; L335-F366 HydrophobicContact CD1-CE1 3.93Å; L335-F366 HydrophobicContact CD1-CE2 3.86Å; L335-F366 HydrophobicContact CD1-CG 4.19Å; L335-F366 HydrophobicContact CD1-CZ 3.8Å; V357-F366 HydrophobicContact CG1-CB 4.17Å; V357-F366 HydrophobicContact CG1-CD2 4.31Å; V357-F366 HydrophobicContact CG2-CD2 4.26Å; N359-F366 WeakPolarHBondContact O-CA 3.49Å; V360-F366 HydrophobicContact CG2-CB 4.24Å; F366-V368 HydrophobicContact CD2-CG1 3.9Å; F366-V368 HydrophobicContact CE2-CG1 3.8Å; F366-K387 WeakPolarHBondContact O-CA 3.18Å; F366-L388 HydrophobicContact CD2-CB 4.29Å; F366-L388 HydrophobicContact CE1-CB 4.28Å; F366-L388 HydrophobicContact CE2-CB 3.75Å; F366-L388 HydrophobicContact CE2-CD1 4.12Å; F366-L388 HydrophobicContact CZ-CB 3.73Å; F366-L388 PolarHBondContact N-O 3.08Å; F366-L388 PolarHBondContact O-N 3.24Å; F366-F432 HydrophobicContact CE1-CZ 4.08Å; F366-F432 HydrophobicContact CZ-CZ 4.09Å
367	V	92.2	Very high	78.4	Confident	24 Å²	24	52.6 Å²	52.6	15%	0.145	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.8	177.8	-178.3	0	0	0	0	109.3	V358 N359 L361 R385 F386	V358-V367 HydrophobicContact CG2-CB 4.21Å; V358-V367 HydrophobicContact CG2-CG1 3.9Å; V358-V367 WeakPolarHBondContact CG2-O 3.35Å; V358-V367 PolarHBondContact N-O 2.9Å; N359-V367 HydrophobicContact CB-CB 4.16Å; N359-V367 HydrophobicContact CB-CG2 4.39Å; N359-V367 PolarHBondContact N-O 2.87Å; N359-V367 PolarHBondContact O-N 2.98Å; L361-V367 HydrophobicContact CD1-CG2 3.83Å; L361-V367 HydrophobicContact CD2-CG2 3.97Å; L361-V367 HydrophobicContact CG-CG2 3.93Å; V367-R385 HydrophobicContact CG1-CB 4.07Å; V367-F386 WeakPolarHBondContact CA-O 3.47Å
368	V	91.2	Very high	76.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	148.2	172.6	-64	0	0	0	0	110.9	L341 V343 A355 E356 V357 F366 L370 R385 F386 L388	L341-V368 HydrophobicContact CD1-CG1 4.46Å; L341-V368 HydrophobicContact CD2-CG1 4.06Å; V343-V368 HydrophobicContact CG2-CG2 4.32Å; A355-V368 HydrophobicContact CB-CB 4.26Å; E356-V368 CarbonylContact O-C 3.58Å; E356-V368 WeakPolarHBondContact O-CA 3.43Å; V357-V368 HydrophobicContact CG2-CG1 4.38Å; F366-V368 HydrophobicContact CD2-CG1 3.9Å; F366-V368 HydrophobicContact CE2-CG1 3.8Å; V368-L370 HydrophobicContact CG2-CD1 4.03Å; V368-R385 VanDerWaalsContact O-CA 3.24Å; V368-R385 WeakPolarHBondContact O-CA 3.42Å; V368-F386 HydrophobicContact CG2-CB 4.19Å; V368-F386 PolarHBondContact N-O 2.87Å; V368-F386 PolarHBondContact O-N 2.94Å; V368-L388 HydrophobicContact CB-CD1 4.42Å; V368-L388 HydrophobicContact CG1-CD1 3.92Å; V368-L388 HydrophobicContact CG2-CD1 3.59Å; V368-L388 HydrophobicContact CG2-CG 4.14Å
369	Q	89.4	Confident	73.5	Confident	23 Å²	23	66.6 Å²	66.6	11%	0.107	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.7	171.9	-171.4	177.6	-83.8	0	0	108.9	A355 E356 V358 T383 R385	A355-Q369 VanDerWaalsContact CA-O 3.25Å; A355-Q369 WeakPolarHBondContact CA-O 3.35Å; E356-Q369 PolarHBondContact N-O 3.22Å; E356-Q369 PolarHBondContact O-N 3.09Å; V358-Q369 HydrophobicContact CG1-CB 3.56Å; V358-Q369 HydrophobicContact CG1-CG 4.45Å; V358-Q369 HydrophobicContact CG2-CB 4.12Å; Q369-T383 HydrophobicContact CG-CG2 3.9Å; Q369-R385 HydrophobicContact CB-CG 4.11Å; Q369-R385 HydrophobicContact CG-CG 3.97Å; Q369-R385 VanDerWaalsContact OE1-CZ 3.3Å
370	L	87.5	Confident	71	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.4	-177.9	-83.4	61.2	0	0	0	111	V343 Y353 A355 V368 T372 Q384 F386	V343-L370 HydrophobicContact CB-CD1 4.27Å; V343-L370 HydrophobicContact CG1-CD1 4.08Å; Y353-L370 HydrophobicContact CD2-CD2 4.22Å; Y353-L370 HydrophobicContact CG-CD2 4.19Å; A355-L370 HydrophobicContact CB-CD1 4.12Å; A355-L370 HydrophobicContact CB-CG 4.42Å; V368-L370 HydrophobicContact CG2-CD1 4.03Å; L370-T372 HydrophobicContact CB-CG2 4.47Å; L370-T372 PolarHBondContact O-N 2.92Å; L370-Q384 PolarHBondContact N-O 3.41Å; L370-F386 HydrophobicContact CD1-CD2 3.79Å; L370-F386 HydrophobicContact CD1-CE2 4.17Å; L370-F386 HydrophobicContact CD2-CD2 4.46Å; L370-F386 HydrophobicContact CD2-CE2 4.08Å
371	F	81.2	Confident	68.8	Low	47 Å²	47	69.6 Å²	69.6	21%	0.206	38%	0.38	C	S	.	.			trans	-94.2	87.8	170.6	-59.6	-69.7	0	0	0	109.5	Y340 P354 E356 F419	Y340-F371 HydrophobicContact CD1-CE2 4.45Å; Y340-F371 HydrophobicContact CE1-CE2 4.26Å; Y340-F371 HydrophobicContact CE1-CZ 4.44Å; P354-F371 HydrophobicContact CB-CD2 4.15Å; P354-F371 HydrophobicContact CG-CB 4.34Å; P354-F371 WeakPolarHBondContact O-CD2 3.49Å; P354-F371 PolarHBondContact O-N 2.91Å; E356-F371 HydrophobicContact CB-CE2 3.82Å; E356-F371 HydrophobicContact CB-CZ 3.79Å; F371-F419 HydrophobicContact CE2-CZ 4.47Å; F371-F419 HydrophobicContact CZ-CZ 4.49Å
372	T	68.2	Low	67	Low	32 Å²	32	70.8 Å²	70.8	20%	0.196	39%	0.387	C	S	.	.			trans	-75.2	-52.3	-174.6	37.8	0	0	0	0	113.3	Y353 L370 N382	Y353-T372 HydrophobicContact CD1-CG2 4.4Å; Y353-T372 HydrophobicContact CE1-CG2 4.24Å; L370-T372 HydrophobicContact CB-CG2 4.47Å; L370-T372 PolarHBondContact O-N 2.92Å; T372-N382 PolarHBondContact OG1-O 2.65Å
373	D	58.5	Low	65.6	Low	98 Å²	98	70.6 Å²	70.6	52%	0.524	39%	0.388	S	S	.	.	S	Bend	trans	-102.2	149.7	-174.5	-58.5	-56.9	0	0	0	112.2
374	T	48.4	Very low	64.8	Low	58 Å²	58	69.3 Å²	69.3	36%	0.356	38%	0.379	S	S	.	.			trans	-68.8	133.3	164.2	44.8	0	0	0	0	110.5	L376 K413	T374-L376 PolarHBondContact O-N 2.83Å; T374-K413 HydrophobicContact CG2-CB 3.41Å; T374-K413 VanDerWaalsContact CG2-CB 3.41Å; T374-K413 HydrophobicContact CG2-CD 3.52Å; T374-K413 HydrophobicContact CG2-CG 4.11Å
375	V	42.8	Very low	64.6	Low	122 Å²	122	76 Å²	76	74%	0.739	40%	0.404	S	S	*	.			trans	-58	96.3	174	-175.3	0	0	0	0	110.2
376	L	38.2	Very low	64.4	Low	146 Å²	146	76.6 Å²	76.6	76%	0.764	41%	0.407	S	S	*	.			trans	-90.2	127.8	151.4	-71.6	165.6	0	0	0	105.6	T374	T374-L376 PolarHBondContact O-N 2.83Å
377	D	37.8	Very low	64.3	Low	135 Å²	135	78.1 Å²	78.1	72%	0.722	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	149.6	-171.3	-65	-59.5	0	0	0	112.4
378	N	42.8	Very low	64.2	Low	164 Å²	164	77.6 Å²	77.6	88%	0.877	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	17.6	173.4	-47.9	-46	0	0	0	118.7
379	Q	36.6	Very low	64.1	Low	168 Å²	168	78.5 Å²	78.5	79%	0.785	41%	0.414	S	S	*	.	S	Bend	trans	-120	143.2	153.2	-74.1	-162.6	-13.7	0	0	111.5
380	P	37.5	Very low	63.9	Low	117 Å²	117	81.1 Å²	81.1	76%	0.76	42%	0.423	S	S	*	.			trans	-63	130.2	169.2	28.1	-32.8	0	0	0	108.2
381	P	47.2	Very low	63.6	Low	77 Å²	77	84.7 Å²	84.7	50%	0.5	44%	0.436	S	S	.	.			trans	-58.2	145.7	179.4	20.3	-29.8	0	0	0	110.5	T383	P381-T383 HydrophobicContact CB-CG2 3.96Å; P381-T383 HydrophobicContact CG-CG2 3.77Å; P381-T383 PolarHBondContact O-N 2.86Å
382	N	52	Low	63.8	Low	109 Å²	109	83.4 Å²	83.4	58%	0.583	43%	0.433	S	S	*	.			trans	-75.4	69.1	179.5	-168.4	3.8	0	0	0	110.6	T372 Q384	T372-N382 PolarHBondContact OG1-O 2.65Å; N382-Q384 PolarHBondContact O-N 2.96Å
383	T	60	Low	64.5	Low	48 Å²	48	83.6 Å²	83.6	29%	0.294	43%	0.434	S	S	.	.			trans	-76.4	89.8	-167.4	51.3	0	0	0	0	111.8	Q369 P381	Q369-T383 HydrophobicContact CG-CG2 3.9Å; P381-T383 HydrophobicContact CB-CG2 3.96Å; P381-T383 HydrophobicContact CG-CG2 3.77Å; P381-T383 PolarHBondContact O-N 2.86Å
384	Q	75	Confident	65.7	Low	69 Å²	69	79.1 Å²	79.1	32%	0.322	41%	0.411	S	S	.	.			trans	-67.9	135.7	166.1	-57.3	-168.8	26.9	0	0	109.9	H345 L370 N382 F386	H345-Q384 PolarHBondContact NE2-OE1 3.48Å; H345-Q384 VanDerWaalsContact NE2-OE1 3.14Å; L370-Q384 PolarHBondContact N-O 3.41Å; N382-Q384 PolarHBondContact O-N 2.96Å; Q384-F386 HydrophobicContact CB-CE2 3.67Å; Q384-F386 HydrophobicContact CB-CZ 4.08Å
385	R	85.8	Confident	67.6	Low	157 Å²	157	77.4 Å²	77.4	59%	0.592	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.5	178.9	-70.2	179.8	178.8	165.7	1.7	109.5	V367 V368 Q369	V367-R385 HydrophobicContact CG1-CB 4.07Å; V368-R385 VanDerWaalsContact O-CA 3.24Å; V368-R385 WeakPolarHBondContact O-CA 3.42Å; Q369-R385 HydrophobicContact CB-CG 4.11Å; Q369-R385 HydrophobicContact CG-CG 3.97Å; Q369-R385 VanDerWaalsContact OE1-CZ 3.3Å
386	F	87.4	Confident	69.8	Low	14 Å²	14	71.7 Å²	71.7	6%	0.061	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.6	179.4	-59.5	-88.4	0	0	0	110	V222 P346 V367 V368 L370 Q384	V222-F386 HydrophobicContact CB-CD1 4.39Å; V222-F386 HydrophobicContact CG1-CD1 4.47Å; V222-F386 HydrophobicContact CG1-CE1 4.25Å; P346-F386 HydrophobicContact CB-CD1 4.08Å; P346-F386 HydrophobicContact CB-CE1 4.16Å; P346-F386 HydrophobicContact CG-CB 4.31Å; P346-F386 HydrophobicContact CG-CD1 3.73Å; P346-F386 HydrophobicContact CG-CD2 4.15Å; P346-F386 HydrophobicContact CG-CE1 4.02Å; P346-F386 HydrophobicContact CG-CE2 4.42Å; P346-F386 HydrophobicContact CG-CG 3.79Å; P346-F386 HydrophobicContact CG-CZ 4.35Å; V367-F386 WeakPolarHBondContact CA-O 3.47Å; V368-F386 HydrophobicContact CG2-CB 4.19Å; V368-F386 PolarHBondContact N-O 2.87Å; V368-F386 PolarHBondContact O-N 2.94Å; L370-F386 HydrophobicContact CD1-CD2 3.79Å; L370-F386 HydrophobicContact CD1-CE2 4.17Å; L370-F386 HydrophobicContact CD2-CD2 4.46Å; L370-F386 HydrophobicContact CD2-CE2 4.08Å; Q384-F386 HydrophobicContact CB-CE2 3.67Å; Q384-F386 HydrophobicContact CB-CZ 4.08Å
387	K	90.2	Very high	72.2	Confident	32 Å²	32	66 Å²	66	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137.8	170.8	-176	176	171.6	-156.6	0	108.1	P224 L361 Y365 F366	P224-K387 VanDerWaalsContact CD-O 3.23Å; P224-K387 WeakPolarHBondContact CD-O 3.27Å; P224-K387 WeakPolarHBondContact CG-O 3.47Å; P224-K387 WeakPolarHBondContact O-CD 3.33Å; P224-K387 WeakPolarHBondContact O-CE 3.5Å; P224-K387 PolarHBondContact O-NZ 3.48Å; L361-K387 HydrophobicContact CD1-CD 3.78Å; L361-K387 HydrophobicContact CD1-CG 3.92Å; Y365-K387 HydrophobicContact CD1-CD 4.33Å; Y365-K387 VanDerWaalsContact CD1-CE 3.49Å; Y365-K387 HydrophobicContact CD1-CG 4.05Å; Y365-K387 VanDerWaalsContact CG-CE 3.42Å; Y365-K387 HydrophobicContact CG-CG 4.49Å; F366-K387 WeakPolarHBondContact O-CA 3.18Å
388	L	89.9	Confident	74.4	Confident	12 Å²	12	61 Å²	61	6%	0.063	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	160.7	179.5	-65.8	177.7	0	0	0	110	V343 Y365 F366 V368 F395	V343-L388 HydrophobicContact CG2-CD1 4.41Å; Y365-L388 CarbonylContact C-O 3.6Å; Y365-L388 VanDerWaalsContact CA-O 3.31Å; Y365-L388 WeakPolarHBondContact CA-O 3.37Å; F366-L388 HydrophobicContact CD2-CB 4.29Å; F366-L388 HydrophobicContact CE1-CB 4.28Å; F366-L388 HydrophobicContact CE2-CB 3.75Å; F366-L388 HydrophobicContact CE2-CD1 4.12Å; F366-L388 HydrophobicContact CZ-CB 3.73Å; F366-L388 PolarHBondContact N-O 3.08Å; F366-L388 PolarHBondContact O-N 3.24Å; V368-L388 HydrophobicContact CB-CD1 4.42Å; V368-L388 HydrophobicContact CG1-CD1 3.92Å; V368-L388 HydrophobicContact CG2-CD1 3.59Å; V368-L388 HydrophobicContact CG2-CG 4.14Å; L388-F395 HydrophobicContact CD1-CD1 4.18Å
389	H	89.2	Confident	76.3	Confident	20 Å²	20	54.2 Å²	54.2	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	172.2	170.8	58.4	107.9	0	0	0	109.6	Y364 Y365 R391 S392 F395	Y364-H389 WeakPolarHBondContact O-CA 3.45Å; Y364-H389 VanDerWaalsContact O-CB 3.25Å; Y364-H389 WeakPolarHBondContact O-CB 3.46Å; Y365-H389 HydrophobicContact CD1-CB 3.72Å; Y365-H389 HydrophobicContact CE1-CB 3.81Å; Y365-H389 AromaticContact CE1-CD2 3.85Å; Y365-H389 AromaticContact CE1-CG 3.99Å; H389-R391 PolarHBondContact ND1-N 3.18Å; H389-R391 PolarHBondContact O-N 2.85Å; H389-S392 PolarHBondContact CD2-OG 3.09Å; H389-S392 PolarHBondContact CE1-N 2.88Å; H389-S392 PolarHBondContact N-OG 3.09Å; H389-S392 PolarHBondContact NE2-OG 3.36Å; H389-S392 PolarHBondContact O-N 3.21Å; H389-S392 VanDerWaalsContact O-N 3.12Å; H389-S392 PolarHBondContact O-OG 3.02Å; H389-F395 WeakPolarHBondContact O-CE1 3.43Å
390	R	86.7	Confident	78.8	Confident	78 Å²	78	47 Å²	47	29%	0.294	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.8	-175.8	179.1	164.1	158.2	101.9	16.4	115	E331 R332 H333 T431 F432	E331-R390 HydrophobicContact CB-CB 4.31Å; E331-R390 HydrophobicContact CB-CG 4.13Å; E331-R390 IonicContact OE2-CZ 2.64Å; E331-R390 IonicContact OE2-NE 2.67Å; E331-R390 PolarHBondContact OE2-NE 3.26Å; E331-R390 IonicContact OE2-NH2 3.08Å; E331-R390 PolarHBondContact OE2-NH2 3.38Å; R332-R390 VanDerWaalsContact O-CD 3.31Å; R332-R390 WeakPolarHBondContact O-CD 3.34Å; H333-R390 HydrophobicContact CB-CB 4.05Å; R390-T431 PolarHBondContact NH1-O 3.15Å; R390-F432 HydrophobicContact CB-CE2 3.98Å; R390-F432 HydrophobicContact CB-CZ 4.49Å; R390-F432 HydrophobicContact CG-CD2 4.35Å; R390-F432 HydrophobicContact CG-CE2 3.76Å
391	R	80.6	Confident	81.1	Confident	75 Å²	75	41.4 Å²	41.4	28%	0.283	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	3.4	-178.8	-66.9	-179.1	174.7	-176.7	-6.5	114.6	R260 V326 Q329 E331 H389	R260-R391 PolarHBondContact NH1-O 2.97Å; V326-R391 PolarHBondContact O-NH1 3.17Å; Q329-R391 PolarHBondContact O-NH1 2.04Å; E331-R391 IonicContact OE1-CZ 3.55Å; E331-R391 VanDerWaalsContact OE1-CZ 3.23Å; E331-R391 IonicContact OE1-NE 3.19Å; E331-R391 PolarHBondContact OE1-NE 3.48Å; E331-R391 IonicContact OE1-NH2 3.13Å; E331-R391 PolarHBondContact OE1-NH2 3.35Å; H389-R391 PolarHBondContact ND1-N 3.18Å; H389-R391 PolarHBondContact O-N 2.85Å
392	S	84.6	Confident	82.8	Confident	20 Å²	20	40.8 Å²	40.8	14%	0.14	21%	0.209	C	C	.	.			trans	-62.7	143.8	171.4	-46.5	0	0	0	0	109.8	H389 F395	H389-S392 PolarHBondContact CD2-OG 3.09Å; H389-S392 PolarHBondContact CE1-N 2.88Å; H389-S392 PolarHBondContact N-OG 3.09Å; H389-S392 PolarHBondContact NE2-OG 3.36Å; H389-S392 PolarHBondContact O-N 3.21Å; H389-S392 VanDerWaalsContact O-N 3.12Å; H389-S392 PolarHBondContact O-OG 3.02Å; S392-F395 WeakPolarHBondContact O-CD1 3.39Å; S392-F395 WeakPolarHBondContact O-CE1 3.4Å
393	T	82.8	Confident	84.3	Confident	36 Å²	36	43.7 Å²	43.7	22%	0.221	22%	0.216	C	C	.	.	S	Bend	trans	-89.3	163.7	179.7	51.2	0	0	0	0	111.8	D489 D492	T393-D489 WeakPolarHBondContact CB-OD2 3.41Å; T393-D489 HydrophobicContact CG2-CB 4.15Å; T393-D492 HydrophobicContact CG2-CB 3.33Å; T393-D492 WeakPolarHBondContact CG2-OD2 3.4Å; T393-D492 PolarHBondContact OG1-OD2 3.39Å
394	G	85.2	Confident	85.3	Confident	4 Å²	4	43.5 Å²	43.5	4%	0.041	21%	0.213	C	C	.	.	S	Bend	trans	79.5	24.6	175.9	0	0	0	0	0	116.6	L344 D489	L344-G394 WeakPolarHBondContact CB-O 3.41Å; L344-G394 PolarHBondContact N-O 3.18Å; G394-D489 PolarHBondContact N-OD2 3.13Å; G394-D489 VanDerWaalsContact N-OD2 3.11Å
395	F	88.4	Confident	85.7	Confident	22 Å²	22	46.7 Å²	46.7	10%	0.096	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.4	169.3	70.5	-108	0	0	0	113	L341 E342 V343 L388 H389 S392 F432 F433	L341-F395 HydrophobicContact CD1-CB 4.06Å; L341-F395 HydrophobicContact CD1-CD2 4.29Å; L341-F395 HydrophobicContact CD1-CG 4.33Å; E342-F395 CarbonylContact O-C 3.55Å; E342-F395 WeakPolarHBondContact O-CA 3.39Å; V343-F395 HydrophobicContact CG2-CB 4.13Å; L388-F395 HydrophobicContact CD1-CD1 4.18Å; H389-F395 WeakPolarHBondContact O-CE1 3.43Å; S392-F395 WeakPolarHBondContact O-CD1 3.39Å; S392-F395 WeakPolarHBondContact O-CE1 3.4Å; F395-F432 HydrophobicContact CD2-CE1 4.3Å; F395-F432 HydrophobicContact CE2-CD1 4.13Å; F395-F432 AromaticContact CE2-CE1 3.38Å; F395-F432 HydrophobicContact CE2-CE1 3.38Å; F395-F432 AromaticContact CE2-CZ 3.97Å; F395-F432 HydrophobicContact CE2-CZ 3.97Å; F395-F432 AromaticContact CZ-CE1 3.82Å; F395-F432 HydrophobicContact CZ-CE1 3.82Å; F395-F432 AromaticContact CZ-CZ 3.91Å; F395-F432 HydrophobicContact CZ-CZ 3.91Å; F395-F433 AromaticContact CD2-CD1 3.87Å; F395-F433 HydrophobicContact CD2-CD1 3.87Å; F395-F433 AromaticContact CD2-CE1 3.75Å; F395-F433 HydrophobicContact CD2-CE1 3.75Å; F395-F433 AromaticContact CE2-CD1 3.87Å; F395-F433 HydrophobicContact CE2-CD1 3.87Å; F395-F433 AromaticContact CE2-CE1 3.96Å; F395-F433 HydrophobicContact CE2-CE1 3.96Å
396	A	88	Confident	85.5	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.5	-167.5	0	0	0	0	0	112.1	E342 F352 W400 F472	E342-A396 HydrophobicContact CB-CB 4.4Å; E342-A396 PolarHBondContact N-O 3.28Å; E342-A396 PolarHBondContact O-N 2.98Å; F352-A396 HydrophobicContact CE1-CB 4.42Å; A396-W400 HydrophobicContact CB-CB 3.84Å; A396-W400 HydrophobicContact CB-CD2 3.91Å; A396-W400 HydrophobicContact CB-CE3 4.03Å; A396-W400 HydrophobicContact CB-CG 3.81Å; A396-F472 HydrophobicContact CB-CE2 4.35Å
397	P	87.8	Confident	85.1	Confident	28 Å²	28	43.7 Å²	43.7	18%	0.182	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	151.2	178	21	-26.6	0	0	0	111.9	G399 W400 F433	P397-G399 PolarHBondContact O-N 3.05Å; P397-W400 HydrophobicContact CG-CB 4.08Å; P397-W400 WeakPolarHBondContact O-CB 3.38Å; P397-W400 PolarHBondContact O-N 2.91Å; P397-F433 VanDerWaalsContact CA-CZ 3.45Å; P397-F433 HydrophobicContact CB-CD2 3.81Å; P397-F433 HydrophobicContact CB-CE1 4.28Å; P397-F433 HydrophobicContact CB-CE2 3.57Å; P397-F433 HydrophobicContact CB-CG 4.29Å; P397-F433 HydrophobicContact CB-CZ 3.82Å; P397-F433 HydrophobicContact CG-CD1 4.49Å; P397-F433 HydrophobicContact CG-CD2 4.1Å; P397-F433 HydrophobicContact CG-CE2 4.34Å; P397-F433 HydrophobicContact CG-CG 4.19Å
398	M	85.1	Confident	84.7	Confident	28 Å²	28	42.7 Å²	42.7	14%	0.138	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	124.2	176.5	-168.1	-170.9	84.9	0	0	111.4	W416 E420 V425 N427	M398-W416 HydrophobicContact CG-CD2 3.54Å; M398-W416 VanDerWaalsContact CG-CE2 3.47Å; M398-W416 HydrophobicContact CG-CE3 3.71Å; M398-W416 HydrophobicContact CG-CG 4.2Å; M398-W416 HydrophobicContact CG-CH2 3.82Å; M398-W416 HydrophobicContact CG-CZ2 3.63Å; M398-W416 HydrophobicContact CG-CZ3 3.85Å; M398-W416 HydrophobicContact SD-CD2 4.15Å; M398-W416 HydrophobicContact SD-CE3 3.77Å; M398-W416 HydrophobicContact SD-CH2 4.41Å; M398-W416 HydrophobicContact SD-CZ3 3.93Å; M398-E420 VanDerWaalsContact CE-OE1 3.3Å; M398-E420 WeakPolarHBondContact CE-OE1 3.39Å; M398-V425 HydrophobicContact CE-CG1 3.97Å; M398-V425 HydrophobicContact SD-CG1 3.28Å; M398-V425 WeakPolarHBondContact SD-CG1 3.31Å; M398-N427 WeakPolarHBondContact CB-OD1 3.28Å; M398-N427 HydrophobicContact CE-CB 4.35Å
399	G	82.9	Confident	84.1	Confident	23 Å²	23	42.5 Å²	42.5	24%	0.237	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-0.1	-177.2	0	0	0	0	0	115	E342 P397 C401 A402 K403	E342-G399 VanDerWaalsContact OE1-CA 3.28Å; E342-G399 WeakPolarHBondContact OE1-CA 3.4Å; E342-G399 PolarHBondContact OE1-N 3.06Å; P397-G399 PolarHBondContact O-N 3.05Å; G399-C401 PolarHBondContact O-N 2.93Å; G399-A402 PolarHBondContact O-N 3.33Å; G399-K403 WeakPolarHBondContact O-CB 3.24Å; G399-K403 PolarHBondContact O-N 3.21Å
400	W	87.8	Confident	83.2	Confident	15 Å²	15	46.2 Å²	46.2	6%	0.057	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-43.4	178.6	-179	99.1	0	0	0	111.9	E342 F352 A396 P397 A402 K403 N404 I406 S469 P470 F472 W474	E342-W400 PolarHBondContact OE2-N 2.86Å; F352-W400 HydrophobicContact CE2-CZ3 4.05Å; F352-W400 HydrophobicContact CZ-CZ3 4.19Å; A396-W400 HydrophobicContact CB-CB 3.84Å; A396-W400 HydrophobicContact CB-CD2 3.91Å; A396-W400 HydrophobicContact CB-CE3 4.03Å; A396-W400 HydrophobicContact CB-CG 3.81Å; P397-W400 HydrophobicContact CG-CB 4.08Å; P397-W400 WeakPolarHBondContact O-CB 3.38Å; P397-W400 PolarHBondContact O-N 2.91Å; W400-A402 PolarHBondContact O-N 2.82Å; W400-K403 PolarHBondContact O-N 3.06Å; W400-N404 HydrophobicContact CH2-CB 4.31Å; W400-N404 HydrophobicContact CZ2-CB 4.36Å; W400-N404 PolarHBondContact NE1-ND2 2.75Å; W400-N404 WeakPolarHBondContact O-CB 3.49Å; W400-N404 PolarHBondContact O-N 3.36Å; W400-N404 PolarHBondContact O-ND2 3.39Å; W400-I406 HydrophobicContact CE3-CD1 4.32Å; W400-I406 HydrophobicContact CH2-CD1 3.53Å; W400-I406 HydrophobicContact CZ3-CD1 3.31Å; W400-S469 WeakPolarHBondContact CZ2-O 3Å; W400-P470 WeakPolarHBondContact CZ2-O 3.38Å; W400-F472 AromaticContact CH2-CD2 3.46Å; W400-F472 HydrophobicContact CH2-CD2 3.46Å; W400-F472 VanDerWaalsContact CH2-CD2 3.46Å; W400-F472 HydrophobicContact CH2-CE2 4.16Å; W400-F472 HydrophobicContact CH2-CG 4.42Å; W400-F472 AromaticContact CZ2-CD2 3.66Å; W400-F472 HydrophobicContact CZ2-CD2 3.66Å; W400-F472 HydrophobicContact CZ2-CE2 4.16Å; W400-F472 AromaticContact CZ3-CD2 3.97Å; W400-F472 HydrophobicContact CZ3-CD2 3.97Å; W400-F472 HydrophobicContact CZ3-CE2 4.36Å; W400-W474 HydrophobicContact CH2-CH2 4.23Å
401	C	86.7	Confident	82.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-43.4	175.1	-72.7	0	0	0	0	111.4	E342 F352 G399 K403 N404 H405 I406 L408	E342-C401 VanDerWaalsContact OE2-CB 3.23Å; E342-C401 WeakPolarHBondContact OE2-CB 3.29Å; E342-C401 PolarHBondContact OE2-N 2.99Å; E342-C401 PolarHBondContact OE2-SG 2.94Å; F352-C401 WeakPolarHBondContact CB-SG 3.31Å; G399-C401 PolarHBondContact O-N 2.93Å; C401-K403 PolarHBondContact O-N 3.35Å; C401-N404 CarbonylContact O-C 3.58Å; C401-N404 PolarHBondContact O-N 3.02Å; C401-H405 PolarHBondContact O-N 3.2Å; C401-I406 CarbonylContact C-O 3.59Å; C401-I406 HydrophobicContact CB-CB 3.94Å; C401-I406 HydrophobicContact CB-CG2 4.19Å; C401-I406 PolarHBondContact O-N 2.89Å; C401-L408 HydrophobicContact CB-CD2 3.9Å; C401-L408 HydrophobicContact CB-CG 4.02Å
402	A	82.4	Confident	81.1	Confident	64 Å²	64	45.6 Å²	45.6	53%	0.529	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-43.2	177.6	0	0	0	0	0	111.8	G399 W400 H405	G399-A402 PolarHBondContact O-N 3.33Å; W400-A402 PolarHBondContact O-N 2.82Å; A402-H405 PolarHBondContact O-N 3.12Å
403	K	83.4	Confident	80	Confident	170 Å²	170	50.5 Å²	50.5	74%	0.739	26%	0.258	S	S	*	.	H	α-helix	trans	-60.8	-43.5	174.6	-176.8	-173.4	175.4	-170	0	112	G399 W400 C401	G399-K403 WeakPolarHBondContact O-CB 3.24Å; G399-K403 PolarHBondContact O-N 3.21Å; W400-K403 PolarHBondContact O-N 3.06Å; C401-K403 PolarHBondContact O-N 3.35Å
404	N	80.6	Confident	79.4	Confident	44 Å²	44	51.5 Å²	51.5	24%	0.235	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.3	-176.5	-69.5	-74.8	0	0	0	114.4	W400 C401 I406 R467	W400-N404 HydrophobicContact CH2-CB 4.31Å; W400-N404 HydrophobicContact CZ2-CB 4.36Å; W400-N404 PolarHBondContact NE1-ND2 2.75Å; W400-N404 WeakPolarHBondContact O-CB 3.49Å; W400-N404 PolarHBondContact O-N 3.36Å; W400-N404 PolarHBondContact O-ND2 3.39Å; C401-N404 CarbonylContact O-C 3.58Å; C401-N404 PolarHBondContact O-N 3.02Å; N404-I406 HydrophobicContact CB-CD1 3.9Å; N404-R467 PolarHBondContact O-NH2 3.04Å
405	H	83.4	Confident	78.7	Confident	136 Å²	136	54.5 Å²	54.5	63%	0.63	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	49.3	-179.8	-50.8	-26.5	0	0	0	113.6	C401 A402 R467	C401-H405 PolarHBondContact O-N 3.2Å; A402-H405 PolarHBondContact O-N 3.12Å; H405-R467 PolarHBondContact O-NH1 3.12Å; H405-R467 PolarHBondContact O-NH2 3.09Å
406	I	83	Confident	78	Confident	11 Å²	11	54.1 Å²	54.1	6%	0.056	27%	0.273	C	S	.	.			trans	-116.5	141.3	175.2	-63.1	157.5	0	0	0	107.4	F352 W400 C401 N404 W474	F352-I406 HydrophobicContact CD2-CG2 4.42Å; W400-I406 HydrophobicContact CE3-CD1 4.32Å; W400-I406 HydrophobicContact CH2-CD1 3.53Å; W400-I406 HydrophobicContact CZ3-CD1 3.31Å; C401-I406 CarbonylContact C-O 3.59Å; C401-I406 HydrophobicContact CB-CB 3.94Å; C401-I406 HydrophobicContact CB-CG2 4.19Å; C401-I406 PolarHBondContact O-N 2.89Å; N404-I406 HydrophobicContact CB-CD1 3.9Å; I406-W474 HydrophobicContact CD1-CH2 3.42Å; I406-W474 VanDerWaalsContact CD1-CH2 3.42Å; I406-W474 HydrophobicContact CD1-CZ2 3.62Å; I406-W474 HydrophobicContact CG1-CH2 4.27Å; I406-W474 HydrophobicContact CG1-CZ2 4.05Å; I406-W474 HydrophobicContact CG2-CZ2 4.42Å
407	R	78.8	Confident	77.2	Confident	97 Å²	97	57.3 Å²	57.3	37%	0.366	29%	0.292	S	S	.	.			trans	-90.1	140.1	177.1	-53.9	-173.7	-171.6	-167.5	1.9	109.8	R680	R407-R680 HydrophobicContact CG-CG 4.14Å
408	L	82.5	Confident	76.2	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.063	31%	0.311	C	S	.	.	S	Bend	trans	-84.9	127.9	175.7	-71.1	165.5	0	0	0	110.9	E342 F352 P354 C401 G412 F414	E342-L408 HydrophobicContact CB-CD2 4.27Å; E342-L408 HydrophobicContact CG-CD1 4.43Å; E342-L408 HydrophobicContact CG-CD2 3.87Å; F352-L408 HydrophobicContact CB-CD2 3.97Å; F352-L408 CarbonylContact O-C 3.54Å; F352-L408 WeakPolarHBondContact O-CA 3.46Å; P354-L408 HydrophobicContact CG-CB 4.3Å; P354-L408 HydrophobicContact CG-CD1 4.38Å; C401-L408 HydrophobicContact CB-CD2 3.9Å; C401-L408 HydrophobicContact CB-CG 4.02Å; L408-G412 VanDerWaalsContact O-CA 3.29Å; L408-G412 WeakPolarHBondContact O-CA 3.49Å; L408-F414 HydrophobicContact CB-CB 4.35Å; L408-F414 HydrophobicContact CB-CD1 4.37Å; L408-F414 HydrophobicContact CD1-CD1 3.77Å; L408-F414 HydrophobicContact CD1-CE1 4.18Å
409	G	76.4	Confident	75.4	Confident	7 Å²	7	62.4 Å²	62.4	7%	0.072	31%	0.311	C	S	.	.	S	Bend	trans	71.8	162	-171.7	0	0	0	0	0	113.7	F352 E411 G412	F352-G409 PolarHBondContact O-N 3.25Å; G409-E411 VanDerWaalsContact C-N 3.32Å; G409-E411 PolarHBondContact O-N 3.48Å; G409-G412 PolarHBondContact O-N 3.43Å; G409-G412 VanDerWaalsContact O-N 3.14Å
410	K	70.4	Confident	74.8	Confident	99 Å²	99	65.5 Å²	65.5	43%	0.43	32%	0.319	S	S	.	.	S	Bend	trans	-58.8	-40.4	-178.1	-70.3	173	-163.5	-152.3	0	112.7	D348 D350 A351 Y353	D348-K410 IonicContact OD2-NZ 3.56Å; D348-K410 PolarHBondContact OD2-NZ 3.15Å; D350-K410 VanDerWaalsContact CG-CE 3.45Å; D350-K410 WeakPolarHBondContact OD1-CE 3.16Å; D350-K410 IonicContact OD1-NZ 3.25Å; D350-K410 PolarHBondContact OD1-NZ 3.22Å; D350-K410 WeakPolarHBondContact OD2-CE 3.43Å; D350-K410 IonicContact OD2-NZ 2.7Å; D350-K410 PolarHBondContact OD2-NZ 3.36Å; A351-K410 HydrophobicContact CB-CG 4.24Å; Y353-K410 WeakPolarHBondContact OH-CD 3.17Å; Y353-K410 WeakPolarHBondContact OH-CE 3.4Å; Y353-K410 WeakPolarHBondContact OH-CG 3.48Å
411	E	62.6	Low	73.5	Confident	116 Å²	116	74.4 Å²	74.4	54%	0.542	35%	0.353	S	S	.	.	S	Bend	trans	-81.5	-18.8	177.3	-59.1	-168	110	0	0	114.3	G409 K413	G409-E411 VanDerWaalsContact C-N 3.32Å; G409-E411 PolarHBondContact O-N 3.48Å; E411-K413 VanDerWaalsContact C-N 3.31Å; E411-K413 HydrophobicContact CB-CD 4.18Å; E411-K413 HydrophobicContact CB-CG 4.05Å; E411-K413 VanDerWaalsContact CD-CE 3.48Å; E411-K413 PolarHBondContact O-N 3.36Å; E411-K413 WeakPolarHBondContact OE1-CE 3.13Å; E411-K413 IonicContact OE1-NZ 2.66Å; E411-K413 PolarHBondContact OE1-NZ 3.18Å; E411-K413 WeakPolarHBondContact OE2-CD 3.43Å; E411-K413 WeakPolarHBondContact OE2-CE 3.39Å; E411-K413 IonicContact OE2-NZ 3.49Å; E411-K413 PolarHBondContact OE2-NZ 3.04Å
412	G	59.8	Low	72.2	Confident	23 Å²	23	85 Å²	85	24%	0.237	39%	0.393	C	S	.	.			trans	70.1	17.2	178.9	0	0	0	0	0	116.4	L408 G409	L408-G412 VanDerWaalsContact O-CA 3.29Å; L408-G412 WeakPolarHBondContact O-CA 3.49Å; G409-G412 PolarHBondContact O-N 3.43Å; G409-G412 VanDerWaalsContact O-N 3.14Å
413	K	63.2	Low	71.3	Confident	124 Å²	124	87.9 Å²	87.9	54%	0.539	39%	0.39	S	S	.	.			trans	-78.4	-16	-176	-65.7	174.4	-173.6	159.6	0	114.5	T374 E411	T374-K413 HydrophobicContact CG2-CB 3.41Å; T374-K413 VanDerWaalsContact CG2-CB 3.41Å; T374-K413 HydrophobicContact CG2-CD 3.52Å; T374-K413 HydrophobicContact CG2-CG 4.11Å; E411-K413 VanDerWaalsContact C-N 3.31Å; E411-K413 HydrophobicContact CB-CD 4.18Å; E411-K413 HydrophobicContact CB-CG 4.05Å; E411-K413 VanDerWaalsContact CD-CE 3.48Å; E411-K413 PolarHBondContact O-N 3.36Å; E411-K413 WeakPolarHBondContact OE1-CE 3.13Å; E411-K413 IonicContact OE1-NZ 2.66Å; E411-K413 PolarHBondContact OE1-NZ 3.18Å; E411-K413 WeakPolarHBondContact OE2-CD 3.43Å; E411-K413 WeakPolarHBondContact OE2-CE 3.39Å; E411-K413 IonicContact OE2-NZ 3.49Å; E411-K413 PolarHBondContact OE2-NZ 3.04Å
414	F	69	Low	70.2	Confident	56 Å²	56	88.9 Å²	88.9	25%	0.246	40%	0.397	C	S	.	.			trans	-79.1	144.6	-177.6	-176.2	-84.8	0	0	0	112.8	P354 L408 W416 F419	P354-F414 HydrophobicContact CB-CD1 4.05Å; P354-F414 HydrophobicContact CB-CD2 4.4Å; P354-F414 HydrophobicContact CB-CE1 3.69Å; P354-F414 HydrophobicContact CB-CE2 4.07Å; P354-F414 HydrophobicContact CB-CG 4.39Å; P354-F414 HydrophobicContact CB-CZ 3.7Å; P354-F414 HydrophobicContact CG-CB 4.1Å; P354-F414 HydrophobicContact CG-CD1 3.41Å; P354-F414 VanDerWaalsContact CG-CD1 3.41Å; P354-F414 HydrophobicContact CG-CD2 3.62Å; P354-F414 HydrophobicContact CG-CE1 3.6Å; P354-F414 HydrophobicContact CG-CE2 3.8Å; P354-F414 HydrophobicContact CG-CG 3.42Å; P354-F414 VanDerWaalsContact CG-CG 3.42Å; P354-F414 HydrophobicContact CG-CZ 3.79Å; L408-F414 HydrophobicContact CB-CB 4.35Å; L408-F414 HydrophobicContact CB-CD1 4.37Å; L408-F414 HydrophobicContact CD1-CD1 3.77Å; L408-F414 HydrophobicContact CD1-CE1 4.18Å; F414-W416 AromaticContact CE1-CD2 3.61Å; F414-W416 HydrophobicContact CE1-CD2 3.61Å; F414-W416 AromaticContact CE1-CE2 3.81Å; F414-W416 AromaticContact CE1-CE3 3.87Å; F414-W416 HydrophobicContact CE1-CE3 3.87Å; F414-W416 AromaticContact CE1-CG 3.95Å; F414-W416 HydrophobicContact CE1-CG 3.95Å; F414-W416 HydrophobicContact CE1-CH2 4.42Å; F414-W416 HydrophobicContact CE1-CZ2 4.21Å; F414-W416 HydrophobicContact CE1-CZ3 4.26Å; F414-W416 HydrophobicContact CZ-CD2 4.11Å; F414-W416 AromaticContact CZ-CE3 3.86Å; F414-W416 HydrophobicContact CZ-CE3 3.86Å; F414-W416 HydrophobicContact CZ-CH2 4.37Å; F414-W416 AromaticContact CZ-CZ3 4Å; F414-W416 HydrophobicContact CZ-CZ3 4Å; F414-F419 HydrophobicContact CE2-CB 4.29Å; F414-F419 AromaticContact CE2-CD2 3.89Å; F414-F419 HydrophobicContact CE2-CD2 3.89Å; F414-F419 HydrophobicContact CE2-CG 4.19Å; F414-F419 HydrophobicContact CZ-CB 3.9Å; F414-F419 HydrophobicContact CZ-CD2 4.1Å; F414-F419 AromaticContact CZ-CG 3.93Å; F414-F419 HydrophobicContact CZ-CG 3.93Å
415	N	69.9	Low	69.5	Low	68 Å²	68	88.4 Å²	88.4	36%	0.364	40%	0.395	S	S	.	.			trans	-149.4	117.9	176.9	169.2	9.2	0	0	0	111.1	T417 F418 F419	N415-T417 VanDerWaalsContact C-N 3.25Å; N415-T417 VanDerWaalsContact CG-OG1 3.23Å; N415-T417 PolarHBondContact ND2-OG1 2.95Å; N415-T417 PolarHBondContact O-N 3.2Å; N415-T417 PolarHBondContact OD1-N 2.87Å; N415-T417 PolarHBondContact OD1-OG1 2.9Å; N415-F418 HydrophobicContact CB-CD2 4.1Å; N415-F418 VanDerWaalsContact ND2-CD2 3.32Å; N415-F418 WeakPolarHBondContact ND2-CD2 3.5Å; N415-F418 WeakPolarHBondContact ND2-CE2 3.37Å; N415-F418 PolarHBondContact O-N 2.94Å; N415-F418 VanDerWaalsContact O-N 3.1Å; N415-F419 PolarHBondContact O-N 3.12Å
416	W	73.9	Confident	68.7	Low	14 Å²	14	87.8 Å²	87.8	5%	0.053	39%	0.391	C	S	.	.	H	α-helix	trans	-50	-40.6	179	-70.6	114	0	0	0	113.6	Y340 E342 P354 M398 F414 F418 F419 E420	Y340-W416 HydrophobicContact CD1-CZ3 4.37Å; Y340-W416 HydrophobicContact CG-CZ3 4.37Å; E342-W416 HydrophobicContact CG-CZ2 3.84Å; E342-W416 PolarHBondContact OE1-NE1 3.49Å; P354-W416 HydrophobicContact CB-CH2 3.79Å; P354-W416 HydrophobicContact CB-CZ2 3.73Å; M398-W416 HydrophobicContact CG-CD2 3.54Å; M398-W416 VanDerWaalsContact CG-CE2 3.47Å; M398-W416 HydrophobicContact CG-CE3 3.71Å; M398-W416 HydrophobicContact CG-CG 4.2Å; M398-W416 HydrophobicContact CG-CH2 3.82Å; M398-W416 HydrophobicContact CG-CZ2 3.63Å; M398-W416 HydrophobicContact CG-CZ3 3.85Å; M398-W416 HydrophobicContact SD-CD2 4.15Å; M398-W416 HydrophobicContact SD-CE3 3.77Å; M398-W416 HydrophobicContact SD-CH2 4.41Å; M398-W416 HydrophobicContact SD-CZ3 3.93Å; F414-W416 AromaticContact CE1-CD2 3.61Å; F414-W416 HydrophobicContact CE1-CD2 3.61Å; F414-W416 AromaticContact CE1-CE2 3.81Å; F414-W416 AromaticContact CE1-CE3 3.87Å; F414-W416 HydrophobicContact CE1-CE3 3.87Å; F414-W416 AromaticContact CE1-CG 3.95Å; F414-W416 HydrophobicContact CE1-CG 3.95Å; F414-W416 HydrophobicContact CE1-CH2 4.42Å; F414-W416 HydrophobicContact CE1-CZ2 4.21Å; F414-W416 HydrophobicContact CE1-CZ3 4.26Å; F414-W416 HydrophobicContact CZ-CD2 4.11Å; F414-W416 AromaticContact CZ-CE3 3.86Å; F414-W416 HydrophobicContact CZ-CE3 3.86Å; F414-W416 HydrophobicContact CZ-CH2 4.37Å; F414-W416 AromaticContact CZ-CZ3 4Å; F414-W416 HydrophobicContact CZ-CZ3 4Å; W416-F418 PolarHBondContact O-N 2.77Å; W416-F418 VanDerWaalsContact O-N 3.07Å; W416-F419 HydrophobicContact CE3-CD1 4.12Å; W416-F419 HydrophobicContact CZ3-CD1 4.01Å; W416-F419 HydrophobicContact CZ3-CE1 4.32Å; W416-F419 CarbonylContact O-C 3.56Å; W416-F419 WeakPolarHBondContact O-CA 3.34Å; W416-F419 WeakPolarHBondContact O-CB 3.46Å; W416-F419 PolarHBondContact O-N 3.41Å; W416-E420 WeakPolarHBondContact O-CG 3.1Å; W416-E420 PolarHBondContact O-N 3.34Å
417	T	70.9	Confident	68.1	Low	69 Å²	69	90.7 Å²	90.7	42%	0.423	41%	0.407	S	S	.	.	H	α-helix	trans	-66.5	-12.4	-176.9	62.4	0	0	0	0	115.2	N415 R421	N415-T417 VanDerWaalsContact C-N 3.25Å; N415-T417 VanDerWaalsContact CG-OG1 3.23Å; N415-T417 PolarHBondContact ND2-OG1 2.95Å; N415-T417 PolarHBondContact O-N 3.2Å; N415-T417 PolarHBondContact OD1-N 2.87Å; N415-T417 PolarHBondContact OD1-OG1 2.9Å; T417-R421 WeakPolarHBondContact O-CD 3.44Å; T417-R421 WeakPolarHBondContact O-CG 3.48Å; T417-R421 PolarHBondContact O-NE 2.9Å; T417-R421 VanDerWaalsContact O-NE 3.13Å
418	F	66.7	Low	67.5	Low	132 Å²	132	86.5 Å²	86.5	58%	0.579	39%	0.392	S	S	*	.	H	α-helix	trans	-96	-27	167	-72.1	-65.4	0	0	0	112.6	N415 W416	N415-F418 HydrophobicContact CB-CD2 4.1Å; N415-F418 VanDerWaalsContact ND2-CD2 3.32Å; N415-F418 WeakPolarHBondContact ND2-CD2 3.5Å; N415-F418 WeakPolarHBondContact ND2-CE2 3.37Å; N415-F418 PolarHBondContact O-N 2.94Å; N415-F418 VanDerWaalsContact O-N 3.1Å; W416-F418 PolarHBondContact O-N 2.77Å; W416-F418 VanDerWaalsContact O-N 3.07Å
419	F	70	Confident	66.6	Low	31 Å²	31	95.8 Å²	95.8	14%	0.136	43%	0.426	C	S	.	.	H	α-helix	trans	-74.7	-43.8	177.5	-168.1	-97.4	0	0	0	111.8	Y340 F371 F414 N415 W416 R421 R422 R423 V425	Y340-F419 AromaticContact CD1-CE1 3.83Å; Y340-F419 HydrophobicContact CD1-CE1 3.83Å; Y340-F419 HydrophobicContact CD1-CZ 4.27Å; Y340-F419 AromaticContact CE1-CE1 3.47Å; Y340-F419 HydrophobicContact CE1-CE1 3.47Å; Y340-F419 VanDerWaalsContact CE1-CE1 3.47Å; Y340-F419 AromaticContact CE1-CZ 3.61Å; Y340-F419 HydrophobicContact CE1-CZ 3.61Å; Y340-F419 HydrophobicContact CE2-CE1 4.34Å; Y340-F419 HydrophobicContact CG-CE1 4.41Å; Y340-F419 AromaticContact CZ-CE1 3.75Å; F371-F419 HydrophobicContact CE2-CZ 4.47Å; F371-F419 HydrophobicContact CZ-CZ 4.49Å; F414-F419 HydrophobicContact CE2-CB 4.29Å; F414-F419 AromaticContact CE2-CD2 3.89Å; F414-F419 HydrophobicContact CE2-CD2 3.89Å; F414-F419 HydrophobicContact CE2-CG 4.19Å; F414-F419 HydrophobicContact CZ-CB 3.9Å; F414-F419 HydrophobicContact CZ-CD2 4.1Å; F414-F419 AromaticContact CZ-CG 3.93Å; F414-F419 HydrophobicContact CZ-CG 3.93Å; N415-F419 PolarHBondContact O-N 3.12Å; W416-F419 HydrophobicContact CE3-CD1 4.12Å; W416-F419 HydrophobicContact CZ3-CD1 4.01Å; W416-F419 HydrophobicContact CZ3-CE1 4.32Å; W416-F419 CarbonylContact O-C 3.56Å; W416-F419 WeakPolarHBondContact O-CA 3.34Å; W416-F419 WeakPolarHBondContact O-CB 3.46Å; W416-F419 PolarHBondContact O-N 3.41Å; F419-R421 PolarHBondContact O-N 3.36Å; F419-R422 WeakPolarHBondContact O-CA 3.42Å; F419-R422 PolarHBondContact O-N 3.46Å; F419-R423 PolarHBondContact O-N 3.26Å; F419-R423 VanDerWaalsContact O-N 3.09Å; F419-V425 HydrophobicContact CD1-CG2 3.64Å; F419-V425 HydrophobicContact CE1-CG2 3.89Å
420	E	68.6	Low	65.9	Low	87 Å²	87	99.9 Å²	99.9	41%	0.407	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.1	173	-68.6	167.8	155.9	0	0	113	M398 W416 R422 R423 V425	M398-E420 VanDerWaalsContact CE-OE1 3.3Å; M398-E420 WeakPolarHBondContact CE-OE1 3.39Å; W416-E420 WeakPolarHBondContact O-CG 3.1Å; W416-E420 PolarHBondContact O-N 3.34Å; E420-R422 VanDerWaalsContact C-N 3.29Å; E420-R423 VanDerWaalsContact O-O 3.08Å; E420-V425 HydrophobicContact CG-CB 4.34Å; E420-V425 HydrophobicContact CG-CG2 4.17Å
421	R	61.7	Low	65.5	Low	202 Å²	202	100.3 Å²	100.3	76%	0.762	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.1	174.7	-66.1	177.5	-169.7	-154.3	-1.4	113.7	T417 F419	T417-R421 WeakPolarHBondContact O-CD 3.44Å; T417-R421 WeakPolarHBondContact O-CG 3.48Å; T417-R421 PolarHBondContact O-NE 2.9Å; T417-R421 VanDerWaalsContact O-NE 3.13Å; F419-R421 PolarHBondContact O-N 3.36Å
422	R	59.6	Low	65.9	Low	222 Å²	222	95.3 Å²	95.3	84%	0.838	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-15.6	-176.6	-73.2	179.9	168.9	-174.9	-4.7	113.4	F419 E420	F419-R422 WeakPolarHBondContact O-CA 3.42Å; F419-R422 PolarHBondContact O-N 3.46Å; E420-R422 VanDerWaalsContact C-N 3.29Å
423	R	62.7	Low	66.4	Low	125 Å²	125	95.1 Å²	95.1	47%	0.472	43%	0.434	S	S	.	.	S	Bend	trans	-146.2	150.1	178.7	-70.2	-171	173.3	-170.3	-0.2	111.6	Y340 E356 F419 E420 V425	Y340-R423 PolarHBondContact OH-NH1 3.46Å; Y340-R423 VanDerWaalsContact OH-NH1 3.1Å; E356-R423 IonicContact OE1-NH1 3.23Å; E356-R423 PolarHBondContact OE1-NH1 2.03Å; E356-R423 IonicContact OE2-NH1 3.51Å; E356-R423 PolarHBondContact OE2-NH1 2.85Å; F419-R423 PolarHBondContact O-N 3.26Å; F419-R423 VanDerWaalsContact O-N 3.09Å; E420-R423 VanDerWaalsContact O-O 3.08Å; R423-V425 HydrophobicContact CB-CG2 4.41Å; R423-V425 PolarHBondContact O-N 2.9Å
424	H	60.4	Low	66.4	Low	192 Å²	192	94.4 Å²	94.4	89%	0.889	44%	0.436	S	S	*	.			trans	-72.8	79.3	168.1	-71.3	-65.4	0	0	0	111	K426	H424-K426 PolarHBondContact O-N 3.48Å
425	V	65.5	Low	66	Low	33 Å²	33	95.8 Å²	95.8	20%	0.2	45%	0.446	C	S	.	.			trans	-65.6	126.7	-178.5	173	0	0	0	0	111.2	Y340 M398 F419 E420 R423	Y340-V425 HydrophobicContact CD2-CB 4.24Å; Y340-V425 HydrophobicContact CD2-CG1 3.77Å; Y340-V425 HydrophobicContact CD2-CG2 4.32Å; Y340-V425 HydrophobicContact CE2-CG2 4.33Å; Y340-V425 HydrophobicContact CG-CG1 4.24Å; M398-V425 HydrophobicContact CE-CG1 3.97Å; M398-V425 HydrophobicContact SD-CG1 3.28Å; M398-V425 WeakPolarHBondContact SD-CG1 3.31Å; F419-V425 HydrophobicContact CD1-CG2 3.64Å; F419-V425 HydrophobicContact CE1-CG2 3.89Å; E420-V425 HydrophobicContact CG-CB 4.34Å; E420-V425 HydrophobicContact CG-CG2 4.17Å; R423-V425 HydrophobicContact CB-CG2 4.41Å; R423-V425 PolarHBondContact O-N 2.9Å
426	K	67.4	Low	65.5	Low	123 Å²	123	97.9 Å²	97.9	54%	0.535	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.8	171.6	-65.1	174.1	-175	168.7	0	109.5	Y339 Y340 H424	Y339-K426 WeakPolarHBondContact CA-O 3.44Å; Y339-K426 HydrophobicContact CD2-CB 4.34Å; Y339-K426 HydrophobicContact CE2-CB 4.37Å; Y339-K426 HydrophobicContact CE2-CD 4.47Å; Y339-K426 HydrophobicContact CG-CB 4.47Å; Y340-K426 PolarHBondContact N-O 3.47Å; H424-K426 PolarHBondContact O-N 3.48Å
427	N	69.2	Low	64.8	Low	72 Å²	72	98.8 Å²	98.8	39%	0.385	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	147.9	178	-164.6	-0.4	0	0	0	111.1	Y339 M398	Y339-N427 VanDerWaalsContact CE1-O 3.26Å; Y339-N427 WeakPolarHBondContact CE1-O 3.13Å; M398-N427 WeakPolarHBondContact CB-OD1 3.28Å; M398-N427 HydrophobicContact CE-CB 4.35Å
428	C	66.6	Low	64.4	Low	9 Å²	9	100.7 Å²	100.7	6%	0.061	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-62.5	150.6	169.9	-63.7	0	0	0	0	111.1	L335 Y339 F433	L335-C428 HydrophobicContact CD2-CB 4.31Å; Y339-C428 HydrophobicContact CD1-CB 4.49Å; C428-F433 HydrophobicContact CB-CE2 3.46Å; C428-F433 VanDerWaalsContact CB-CE2 3.46Å; C428-F433 HydrophobicContact CB-CZ 3.57Å
429	R	64.3	Low	64.2	Low	207 Å²	207	97.1 Å²	97.1	78%	0.781	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-66.3	140.2	170.5	-71.3	-178.3	174.6	176.9	-2.5	109.1	T431 F432	R429-T431 PolarHBondContact O-N 3.39Å; R429-F432 VanDerWaalsContact O-CB 3.25Å; R429-F432 WeakPolarHBondContact O-CB 3.15Å; R429-F432 PolarHBondContact O-N 2.81Å
430	S	60.8	Low	63.7	Low	94 Å²	94	102.9 Å²	102.9	66%	0.657	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-55.8	-34.1	177.7	48.6	0	0	0	0	112.9	F432 F433	S430-F432 PolarHBondContact O-N 3.49Å; S430-F433 PolarHBondContact O-N 3.07Å; S430-F433 VanDerWaalsContact O-N 3.11Å
431	T	63.1	Low	63.8	Low	108 Å²	108	100 Å²	100	66%	0.663	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-66.7	2	175.5	60.9	0	0	0	0	115.2	R390 R429	R390-T431 PolarHBondContact NH1-O 3.15Å; R429-T431 PolarHBondContact O-N 3.39Å
432	F	69.8	Low	64.6	Low	11 Å²	11	91 Å²	91	5%	0.048	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-83.1	-28.1	168.9	-178.5	-114.7	0	0	0	112.8	H333 L335 F366 R390 F395 R429 S430	H333-F432 HydrophobicContact CB-CE2 3.65Å; H333-F432 HydrophobicContact CB-CZ 4.2Å; H333-F432 WeakPolarHBondContact O-CD2 3.44Å; L335-F432 HydrophobicContact CD1-CE1 3.85Å; L335-F432 HydrophobicContact CD1-CE2 4.42Å; L335-F432 HydrophobicContact CD1-CZ 3.8Å; L335-F432 HydrophobicContact CD2-CD1 4.07Å; L335-F432 HydrophobicContact CD2-CD2 4.2Å; L335-F432 HydrophobicContact CD2-CE1 4.18Å; L335-F432 HydrophobicContact CD2-CE2 4.34Å; L335-F432 HydrophobicContact CD2-CG 4.08Å; L335-F432 HydrophobicContact CD2-CZ 4.33Å; L335-F432 HydrophobicContact CG-CE1 4.35Å; L335-F432 HydrophobicContact CG-CE2 4.27Å; L335-F432 HydrophobicContact CG-CZ 4.14Å; F366-F432 HydrophobicContact CE1-CZ 4.08Å; F366-F432 HydrophobicContact CZ-CZ 4.09Å; R390-F432 HydrophobicContact CB-CE2 3.98Å; R390-F432 HydrophobicContact CB-CZ 4.49Å; R390-F432 HydrophobicContact CG-CD2 4.35Å; R390-F432 HydrophobicContact CG-CE2 3.76Å; F395-F432 HydrophobicContact CD2-CE1 4.3Å; F395-F432 HydrophobicContact CE2-CD1 4.13Å; F395-F432 AromaticContact CE2-CE1 3.38Å; F395-F432 HydrophobicContact CE2-CE1 3.38Å; F395-F432 AromaticContact CE2-CZ 3.97Å; F395-F432 HydrophobicContact CE2-CZ 3.97Å; F395-F432 AromaticContact CZ-CE1 3.82Å; F395-F432 HydrophobicContact CZ-CE1 3.82Å; F395-F432 AromaticContact CZ-CZ 3.91Å; F395-F432 HydrophobicContact CZ-CZ 3.91Å; R429-F432 VanDerWaalsContact O-CB 3.25Å; R429-F432 WeakPolarHBondContact O-CB 3.15Å; R429-F432 PolarHBondContact O-N 2.81Å; S430-F432 PolarHBondContact O-N 3.49Å
433	F	71.8	Confident	65.3	Low	19 Å²	19	86.2 Å²	86.2	8%	0.083	42%	0.422	C	S	.	.	S	Bend	trans	-109.5	120.6	-172.6	-47.8	-97.3	0	0	0	110.2	F395 P397 C428 S430 N435	F395-F433 AromaticContact CD2-CD1 3.87Å; F395-F433 HydrophobicContact CD2-CD1 3.87Å; F395-F433 AromaticContact CD2-CE1 3.75Å; F395-F433 HydrophobicContact CD2-CE1 3.75Å; F395-F433 AromaticContact CE2-CD1 3.87Å; F395-F433 HydrophobicContact CE2-CD1 3.87Å; F395-F433 AromaticContact CE2-CE1 3.96Å; F395-F433 HydrophobicContact CE2-CE1 3.96Å; P397-F433 VanDerWaalsContact CA-CZ 3.45Å; P397-F433 HydrophobicContact CB-CD2 3.81Å; P397-F433 HydrophobicContact CB-CE1 4.28Å; P397-F433 HydrophobicContact CB-CE2 3.57Å; P397-F433 HydrophobicContact CB-CG 4.29Å; P397-F433 HydrophobicContact CB-CZ 3.82Å; P397-F433 HydrophobicContact CG-CD1 4.49Å; P397-F433 HydrophobicContact CG-CD2 4.1Å; P397-F433 HydrophobicContact CG-CE2 4.34Å; P397-F433 HydrophobicContact CG-CG 4.19Å; C428-F433 HydrophobicContact CB-CE2 3.46Å; C428-F433 VanDerWaalsContact CB-CE2 3.46Å; C428-F433 HydrophobicContact CB-CZ 3.57Å; S430-F433 PolarHBondContact O-N 3.07Å; S430-F433 VanDerWaalsContact O-N 3.11Å; F433-N435 WeakPolarHBondContact CB-ND2 3Å; F433-N435 PolarHBondContact O-N 3.44Å; F433-N435 PolarHBondContact O-ND2 3.17Å
434	D	63.4	Low	65.9	Low	109 Å²	109	82.2 Å²	82.2	58%	0.583	42%	0.415	S	S	*	.			trans	-73.8	126.6	169.2	-157	-29.5	0	0	0	109.9	T436	D434-T436 VanDerWaalsContact OD1-CB 3.3Å; D434-T436 WeakPolarHBondContact OD1-CB 3.32Å; D434-T436 VanDerWaalsContact OD1-CG2 3.3Å; D434-T436 WeakPolarHBondContact OD1-CG2 3.27Å; D434-T436 PolarHBondContact OD1-N 3.44Å; D434-T436 PolarHBondContact OD1-OG1 3.34Å
435	N	59.7	Low	66.3	Low	84 Å²	84	73.8 Å²	73.8	45%	0.449	38%	0.38	S	S	.	.			trans	-128.6	20.7	179	-68	-102.4	0	0	0	110.6	F433 V437	F433-N435 WeakPolarHBondContact CB-ND2 3Å; F433-N435 PolarHBondContact O-N 3.44Å; F433-N435 PolarHBondContact O-ND2 3.17Å; N435-V437 VanDerWaalsContact C-N 3.27Å; N435-V437 PolarHBondContact O-N 3.2Å
436	T	58.8	Low	67	Low	112 Å²	112	72.8 Å²	72.8	69%	0.687	37%	0.374	S	S	*	.			trans	-80.1	-2.5	-175.8	57.8	0	0	0	0	114.4	D434 E438	D434-T436 VanDerWaalsContact OD1-CB 3.3Å; D434-T436 WeakPolarHBondContact OD1-CB 3.32Å; D434-T436 VanDerWaalsContact OD1-CG2 3.3Å; D434-T436 WeakPolarHBondContact OD1-CG2 3.27Å; D434-T436 PolarHBondContact OD1-N 3.44Å; D434-T436 PolarHBondContact OD1-OG1 3.34Å; T436-E438 PolarHBondContact O-N 3Å
437	V	60.9	Low	67.7	Low	33 Å²	33	68.4 Å²	68.4	20%	0.2	35%	0.354	C	S	.	.			trans	-65.8	120.5	-179.5	-166.2	0	0	0	0	111.6	N435 P471 M490 N491	N435-V437 VanDerWaalsContact C-N 3.27Å; N435-V437 PolarHBondContact O-N 3.2Å; V437-P471 HydrophobicContact CB-CB 4.25Å; V437-P471 HydrophobicContact CG2-CB 3.8Å; V437-M490 HydrophobicContact CG1-CB 3.79Å; V437-M490 HydrophobicContact CG1-CG 4.45Å; V437-M490 HydrophobicContact CG1-SD 3.83Å; V437-N491 WeakPolarHBondContact CG2-ND2 3.25Å; V437-N491 WeakPolarHBondContact CG2-OD1 3.34Å
438	E	61.4	Low	68.6	Low	109 Å²	109	65 Å²	65	51%	0.509	34%	0.336	S	S	.	.			trans	-75.1	136.6	175.3	-61.3	-153.3	140.1	0	0	112.6	T436 R440	T436-E438 PolarHBondContact O-N 3Å; E438-R440 VanDerWaalsContact C-N 3.27Å; E438-R440 HydrophobicContact CB-CG 4.37Å; E438-R440 VanDerWaalsContact CD-NE 3.31Å; E438-R440 PolarHBondContact O-N 2.96Å; E438-R440 IonicContact OE1-CZ 3.19Å; E438-R440 IonicContact OE1-NE 2.8Å; E438-R440 PolarHBondContact OE1-NE 3.43Å; E438-R440 IonicContact OE1-NH2 2.66Å; E438-R440 PolarHBondContact OE1-NH2 3.13Å; E438-R440 WeakPolarHBondContact OE2-CD 3.17Å; E438-R440 IonicContact OE2-CZ 3.21Å; E438-R440 IonicContact OE2-NE 2.7Å; E438-R440 PolarHBondContact OE2-NE 2.98Å; E438-R440 IonicContact OE2-NH2 2.87Å
439	S	62.8	Low	69.8	Low	58 Å²	58	64.5 Å²	64.5	41%	0.406	33%	0.333	S	S	.	.			trans	-70.2	-19.6	172.5	49.6	0	0	0	0	114.3	P441 W442	S439-P441 VanDerWaalsContact C-CD 3.4Å; S439-P441 WeakPolarHBondContact O-CD 3.24Å; S439-W442 PolarHBondContact O-N 3.31Å
440	R	58.8	Low	71	Confident	152 Å²	152	54.8 Å²	54.8	57%	0.574	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-40	-155	-59.5	-166.5	-142.2	-142.1	4.3	116.5	E438	E438-R440 VanDerWaalsContact C-N 3.27Å; E438-R440 HydrophobicContact CB-CG 4.37Å; E438-R440 VanDerWaalsContact CD-NE 3.31Å; E438-R440 PolarHBondContact O-N 2.96Å; E438-R440 IonicContact OE1-CZ 3.19Å; E438-R440 IonicContact OE1-NE 2.8Å; E438-R440 PolarHBondContact OE1-NE 3.43Å; E438-R440 IonicContact OE1-NH2 2.66Å; E438-R440 PolarHBondContact OE1-NH2 3.13Å; E438-R440 WeakPolarHBondContact OE2-CD 3.17Å; E438-R440 IonicContact OE2-CZ 3.21Å; E438-R440 IonicContact OE2-NE 2.7Å; E438-R440 PolarHBondContact OE2-NE 2.98Å; E438-R440 IonicContact OE2-NH2 2.87Å
441	P	71.9	Confident	72.4	Confident	26 Å²	26	50.6 Å²	50.6	17%	0.169	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-12.4	-178.8	37.1	-37.5	0	0	0	114.1	P77 H79 A80 S439 H446	P77-P441 VanDerWaalsContact CD-O 3.23Å; P77-P441 WeakPolarHBondContact CD-O 3.41Å; P77-P441 HydrophobicContact CG-CB 4.48Å; H79-P441 WeakPolarHBondContact NE2-CB 3.33Å; A80-P441 HydrophobicContact CB-CB 3.8Å; A80-P441 HydrophobicContact CB-CG 3.75Å; S439-P441 VanDerWaalsContact C-CD 3.4Å; S439-P441 WeakPolarHBondContact O-CD 3.24Å; P441-H446 PolarHBondContact O-CE1 2.83Å
442	W	78.2	Confident	73.3	Confident	13 Å²	13	45.7 Å²	45.7	5%	0.049	24%	0.237	C	C	.	.			trans	-94.5	126.4	179.9	-66.4	94.5	0	0	0	111.1	V76 A80 L81 S439 V465 V468 V473 M490 C493 L496	V76-W442 HydrophobicContact CB-CZ3 4.44Å; V76-W442 HydrophobicContact CG1-CD2 4.49Å; V76-W442 HydrophobicContact CG1-CE3 4.06Å; V76-W442 HydrophobicContact CG1-CH2 4Å; V76-W442 HydrophobicContact CG1-CZ2 4.41Å; V76-W442 HydrophobicContact CG1-CZ3 3.8Å; V76-W442 HydrophobicContact CG2-CE3 3.92Å; V76-W442 HydrophobicContact CG2-CZ3 3.71Å; A80-W442 HydrophobicContact CB-CD2 4.36Å; A80-W442 HydrophobicContact CB-CZ2 4.23Å; L81-W442 HydrophobicContact CD2-CH2 3.58Å; L81-W442 HydrophobicContact CD2-CZ2 3.71Å; S439-W442 PolarHBondContact O-N 3.31Å; W442-V465 HydrophobicContact CE3-CG2 4.37Å; W442-V465 HydrophobicContact CZ3-CG2 4.42Å; W442-V468 HydrophobicContact CB-CG1 3.8Å; W442-V468 HydrophobicContact CB-CG2 4.04Å; W442-V473 HydrophobicContact CE3-CB 4.35Å; W442-V473 HydrophobicContact CE3-CG1 4.31Å; W442-V473 HydrophobicContact CE3-CG2 3.81Å; W442-V473 HydrophobicContact CH2-CG1 4.25Å; W442-V473 HydrophobicContact CZ3-CG1 4.02Å; W442-V473 HydrophobicContact CZ3-CG2 4.09Å; W442-M490 HydrophobicContact CB-CE 4.19Å; W442-M490 HydrophobicContact CG-CE 4Å; W442-C493 HydrophobicContact CZ2-CB 4.5Å; W442-L496 HydrophobicContact CH2-CD1 3.95Å; W442-L496 HydrophobicContact CZ3-CD1 4.26Å
443	R	73.5	Confident	73.1	Confident	121 Å²	121	46.5 Å²	46.5	46%	0.457	25%	0.248	S	C	.	.			trans	-132.6	154	174.1	-53.6	-177.5	-178.3	-178.8	1.4	110.9	H446 V465	R443-H446 WeakPolarHBondContact O-CB 3.37Å; R443-H446 PolarHBondContact O-N 2.9Å; R443-V465 WeakPolarHBondContact O-CB 3.36Å; R443-V465 VanDerWaalsContact O-CG1 3.24Å; R443-V465 WeakPolarHBondContact O-CG1 3.21Å
444	A	75.9	Confident	72.9	Confident	41 Å²	41	50.3 Å²	50.3	34%	0.339	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	149.1	166.4	0	0	0	0	0	109.7	H446 V465 F590	A444-H446 PolarHBondContact O-N 2.76Å; A444-V465 CarbonylContact C-O 3.51Å; A444-V465 VanDerWaalsContact CA-O 3.28Å; A444-V465 WeakPolarHBondContact CA-O 3.46Å; A444-F590 WeakPolarHBondContact O-CE1 3.38Å
445	G	67.8	Low	73	Confident	15 Å²	15	46.6 Å²	46.6	16%	0.155	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-7.5	-173.2	0	0	0	0	0	115.3	V465	G445-V465 PolarHBondContact N-O 3.18Å
446	H	80.2	Confident	73.4	Confident	13 Å²	13	45.6 Å²	45.6	6%	0.06	26%	0.264	C	S	.	.			trans	-65	134.9	168.9	-78.2	-166.3	0	0	0	110.4	S74 S75 V76 P441 R443 A444 V465	S74-H446 CarbonylContact O-C 3.58Å; S74-H446 VanDerWaalsContact O-CA 3.28Å; S74-H446 WeakPolarHBondContact O-CA 3.39Å; S74-H446 PolarHBondContact OG-CD2 2.91Å; S74-H446 PolarHBondContact OG-NE2 2.97Å; S74-H446 VanDerWaalsContact OG-NE2 3.14Å; S75-H446 PolarHBondContact O-ND1 3.36Å; V76-H446 HydrophobicContact CG2-CB 3.94Å; P441-H446 PolarHBondContact O-CE1 2.83Å; R443-H446 WeakPolarHBondContact O-CB 3.37Å; R443-H446 PolarHBondContact O-N 2.9Å; A444-H446 PolarHBondContact O-N 2.76Å; H446-V465 HydrophobicContact CB-CB 4.41Å; H446-V465 HydrophobicContact CB-CG2 4.24Å; H446-V465 PolarHBondContact O-N 2.83Å
447	Y	83.5	Confident	74.1	Confident	30 Å²	30	44 Å²	44	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	154.6	171.2	-73.4	-97.4	0	0	0	110.8	F67 L73 S74 S75 V76 L462 G463 I464 C499	F67-Y447 HydrophobicContact CE1-CD1 4.07Å; F67-Y447 HydrophobicContact CE1-CD2 4.01Å; F67-Y447 HydrophobicContact CE1-CE1 4.09Å; F67-Y447 HydrophobicContact CE1-CE2 4.06Å; F67-Y447 HydrophobicContact CE1-CG 4.01Å; F67-Y447 HydrophobicContact CZ-CD1 4.13Å; F67-Y447 HydrophobicContact CZ-CD2 4.44Å; F67-Y447 AromaticContact CZ-CE1 3.71Å; F67-Y447 HydrophobicContact CZ-CE1 3.71Å; F67-Y447 HydrophobicContact CZ-CE2 4.08Å; F67-Y447 HydrophobicContact CZ-CG 4.46Å; F67-Y447 AromaticContact CZ-CZ 3.67Å; L73-Y447 HydrophobicContact CB-CD2 3.97Å; L73-Y447 HydrophobicContact CB-CE2 3.85Å; L73-Y447 HydrophobicContact CD1-CD2 4.48Å; L73-Y447 HydrophobicContact CD1-CE2 3.68Å; L73-Y447 HydrophobicContact CD2-CE2 4.05Å; L73-Y447 HydrophobicContact CG-CE2 4.03Å; S74-Y447 PolarHBondContact O-N 3.28Å; S75-Y447 CarbonylContact C-O 3.54Å; S75-Y447 WeakPolarHBondContact CA-O 3.36Å; V76-Y447 PolarHBondContact N-O 3.48Å; Y447-L462 HydrophobicContact CD1-CD1 3.99Å; Y447-L462 HydrophobicContact CD1-CG 4.34Å; Y447-G463 WeakPolarHBondContact CA-O 3.18Å; Y447-I464 HydrophobicContact CD1-CB 4.33Å; Y447-I464 HydrophobicContact CE1-CB 4.24Å; Y447-I464 HydrophobicContact CE1-CD1 4.16Å; Y447-I464 HydrophobicContact CE1-CG1 4.35Å; Y447-I464 HydrophobicContact CE2-CD1 3.97Å; Y447-I464 HydrophobicContact CE2-CG1 4.37Å; Y447-C499 VanDerWaalsContact CB-SG 3.51Å; Y447-C499 PolarHBondContact O-SG 3.13Å
448	V	88.3	Confident	75	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	145.4	-178	68.7	0	0	0	0	108.9	V76 V450 G463 V475 L496 Y497	V76-V448 HydrophobicContact CB-CG2 4.39Å; V76-V448 HydrophobicContact CG2-CB 3.92Å; V76-V448 HydrophobicContact CG2-CG2 4.07Å; V448-V450 HydrophobicContact CG1-CG2 4.38Å; V448-G463 PolarHBondContact N-O 2.84Å; V448-G463 CarbonylContact O-C 3.5Å; V448-G463 WeakPolarHBondContact O-CA 3.4Å; V448-G463 PolarHBondContact O-N 3.15Å; V448-G463 VanDerWaalsContact O-O 3.09Å; V448-V475 HydrophobicContact CG1-CB 4.46Å; V448-V475 HydrophobicContact CG1-CG1 3.52Å; V448-V475 HydrophobicContact CG1-CG2 4.04Å; V448-L496 HydrophobicContact CG1-CD2 4.32Å; V448-L496 HydrophobicContact CG2-CB 3.91Å; V448-L496 HydrophobicContact CG2-CD2 4.16Å; V448-L496 HydrophobicContact CG2-CG 4.47Å; V448-Y497 WeakPolarHBondContact CG2-O 3.45Å
449	E	90.1	Very high	76.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.7	171.6	-74.2	174.9	-172.5	0	0	109	W64 F460 Y497 G500 W501 S502 L509	W64-E449 VanDerWaalsContact CE2-OE1 3.28Å; W64-E449 HydrophobicContact CZ2-CG 4.21Å; W64-E449 WeakPolarHBondContact CZ2-OE1 3.47Å; W64-E449 PolarHBondContact NE1-OE1 2.8Å; E449-F460 HydrophobicContact CB-CB 4.45Å; E449-F460 HydrophobicContact CB-CD1 4.24Å; E449-Y497 PolarHBondContact N-O 2.86Å; E449-Y497 PolarHBondContact O-N 3.32Å; E449-G500 PolarHBondContact OE1-N 3.43Å; E449-W501 WeakPolarHBondContact OE2-CB 3.41Å; E449-W501 PolarHBondContact OE2-N 2.68Å; E449-W501 VanDerWaalsContact OE2-N 3.08Å; E449-S502 WeakPolarHBondContact OE2-CB 3.15Å; E449-S502 PolarHBondContact OE2-N 3.29Å; E449-L509 HydrophobicContact CG-CD1 3.94Å
450	V	91.3	Very high	77.4	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.9	-178.3	-178.5	0	0	0	0	108.2	V448 F460 A461 V475 Y479 F480 L496	V448-V450 HydrophobicContact CG1-CG2 4.38Å; V450-F460 CarbonylContact O-C 3.58Å; V450-F460 WeakPolarHBondContact O-CA 3.36Å; V450-A461 WeakPolarHBondContact CB-O 3.4Å; V450-A461 PolarHBondContact N-O 2.78Å; V450-A461 PolarHBondContact O-N 3.32Å; V450-V475 HydrophobicContact CG2-CG1 3.84Å; V450-Y479 HydrophobicContact CG1-CD1 4.34Å; V450-F480 HydrophobicContact CG1-CE1 3.98Å; V450-F480 HydrophobicContact CG1-CZ 3.68Å; V450-F480 HydrophobicContact CG2-CZ 4.46Å; V450-L496 HydrophobicContact CG2-CD2 3.98Å
451	A	89.8	Confident	78.7	Confident	7 Å²	7	30.6 Å²	30.6	6%	0.058	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	133.2	176.2	0	0	0	0	0	112.3	R239 F460 D495 Y497	R239-A451 VanDerWaalsContact NH1-CB 3.3Å; A451-F460 HydrophobicContact CB-CE1 4.34Å; A451-D495 HydrophobicContact CB-CB 4.49Å; A451-D495 PolarHBondContact N-O 3.21Å; A451-Y497 HydrophobicContact CB-CD2 4.22Å; A451-Y497 HydrophobicContact CB-CE2 3.92Å
452	V	81.7	Confident	79.3	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	105.7	171.3	177.7	0	0	0	0	108.2	T454 E459 A461 Y479	V452-T454 VanDerWaalsContact C-N 3.27Å; V452-T454 PolarHBondContact O-N 2.87Å; V452-E459 HydrophobicContact CB-CB 4.01Å; V452-E459 VanDerWaalsContact CB-O 3.31Å; V452-E459 WeakPolarHBondContact CB-O 3.38Å; V452-E459 HydrophobicContact CG1-CB 4.49Å; V452-E459 HydrophobicContact CG2-CB 4.27Å; V452-E459 PolarHBondContact N-O 2.77Å; V452-A461 HydrophobicContact CG2-CB 4.11Å; V452-Y479 HydrophobicContact CB-CE2 4.38Å; V452-Y479 HydrophobicContact CG1-CE2 3.78Å; V452-Y479 HydrophobicContact CG2-CD1 4.23Å; V452-Y479 HydrophobicContact CG2-CD2 4.08Å; V452-Y479 HydrophobicContact CG2-CE1 4.17Å; V452-Y479 HydrophobicContact CG2-CE2 4.04Å; V452-Y479 HydrophobicContact CG2-CG 4.2Å
453	G	66.5	Low	79.7	Confident	27 Å²	27	29.8 Å²	29.8	28%	0.278	19%	0.186	S	C	.	.			trans	-79.6	7.3	-175.5	0	0	0	0	0	116	F253 W254	F253-G453 WeakPolarHBondContact CB-O 3.3Å; W254-G453 PolarHBondContact N-O 2.98Å
454	T	65.8	Low	80.1	Confident	100 Å²	100	25.8 Å²	25.8	61%	0.613	17%	0.173	S	C	*	.	B	Isolated β-bridge	trans	-118.6	115.6	-169.4	52.2	0	0	0	0	112.6	V452	V452-T454 VanDerWaalsContact C-N 3.27Å; V452-T454 PolarHBondContact O-N 2.87Å
455	G	66.3	Low	80.5	Confident	31 Å²	31	23.9 Å²	23.9	32%	0.32	16%	0.158	S	C	.	.	S	Bend	trans	114.6	179.7	177.1	0	0	0	0	0	113.3
456	A	67.9	Low	81.1	Confident	63 Å²	63	25.4 Å²	25.4	52%	0.521	16%	0.161	S	C	.	.	S	Bend	trans	-91.2	-14	-178.1	0	0	0	0	0	114.1
457	V	73.6	Confident	81.2	Confident	79 Å²	79	26.3 Å²	26.3	48%	0.479	16%	0.164	S	C	.	.	S	Bend	trans	-84.7	139.4	170.7	-170.4	0	0	0	0	107.8	W254 E459 P508	W254-V457 VanDerWaalsContact CD1-O 3.32Å; W254-V457 PolarHBondContact NE1-O 2.83Å; V457-E459 HydrophobicContact CB-CG 3.83Å; V457-E459 HydrophobicContact CG1-CG 3.63Å; V457-P508 HydrophobicContact CG1-CG 4.04Å
458	D	80.9	Confident	81.3	Confident	15 Å²	15	26.5 Å²	26.5	8%	0.08	17%	0.169	C	C	.	.			trans	-83.4	111.3	168.3	-160.3	20.1	0	0	0	107.5	R239 W254 A507 P508	R239-D458 VanDerWaalsContact CD-OD2 3.3Å; R239-D458 WeakPolarHBondContact CD-OD2 3.45Å; R239-D458 IonicContact CZ-OD1 2.77Å; R239-D458 IonicContact CZ-OD2 3.65Å; R239-D458 VanDerWaalsContact NE-CG 3.25Å; R239-D458 IonicContact NE-OD1 3.61Å; R239-D458 PolarHBondContact NE-OD1 2.78Å; R239-D458 IonicContact NE-OD2 3.34Å; R239-D458 PolarHBondContact NE-OD2 2.88Å; R239-D458 IonicContact NH2-OD1 3.72Å; R239-D458 PolarHBondContact NH2-OD1 2.87Å; W254-D458 HydrophobicContact CD2-CB 4.02Å; W254-D458 HydrophobicContact CE3-CB 4.42Å; W254-D458 HydrophobicContact CH2-CB 4.05Å; W254-D458 HydrophobicContact CZ2-CB 3.62Å; W254-D458 HydrophobicContact CZ3-CB 4.43Å; D458-A507 WeakPolarHBondContact O-CB 3.42Å; D458-P508 WeakPolarHBondContact O-CD 3.46Å
459	E	84.2	Confident	81.2	Confident	54 Å²	54	27.1 Å²	27.1	25%	0.252	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.6	-176.7	-48.3	-169.7	-178.2	0	0	111.1	V452 V457 P508 N510	V452-E459 HydrophobicContact CB-CB 4.01Å; V452-E459 VanDerWaalsContact CB-O 3.31Å; V452-E459 WeakPolarHBondContact CB-O 3.38Å; V452-E459 HydrophobicContact CG1-CB 4.49Å; V452-E459 HydrophobicContact CG2-CB 4.27Å; V452-E459 PolarHBondContact N-O 2.77Å; V457-E459 HydrophobicContact CB-CG 3.83Å; V457-E459 HydrophobicContact CG1-CG 3.63Å; E459-P508 HydrophobicContact CB-CG 4.24Å; E459-P508 HydrophobicContact CG-CG 3.86Å; E459-N510 PolarHBondContact OE2-ND2 2.71Å
460	F	88.5	Confident	80.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155.1	174.3	-64.6	-94.8	0	0	0	109.4	E449 V450 A451 Y497 W501 V505 A507 P508 L509 N510	E449-F460 HydrophobicContact CB-CB 4.45Å; E449-F460 HydrophobicContact CB-CD1 4.24Å; V450-F460 CarbonylContact O-C 3.58Å; V450-F460 WeakPolarHBondContact O-CA 3.36Å; A451-F460 HydrophobicContact CB-CE1 4.34Å; F460-Y497 HydrophobicContact CD1-CD2 4.34Å; F460-Y497 HydrophobicContact CD1-CG 4.48Å; F460-Y497 HydrophobicContact CE1-CD1 4.27Å; F460-Y497 AromaticContact CE1-CD2 3.68Å; F460-Y497 HydrophobicContact CE1-CD2 3.68Å; F460-Y497 HydrophobicContact CE1-CE2 4.1Å; F460-Y497 AromaticContact CE1-CG 3.78Å; F460-Y497 HydrophobicContact CE1-CG 3.78Å; F460-W501 AromaticContact CE1-CD1 3.81Å; F460-W501 AromaticContact CZ-CD1 3.64Å; F460-V505 HydrophobicContact CE2-CG2 4.12Å; F460-A507 HydrophobicContact CD2-CB 3.71Å; F460-A507 HydrophobicContact CE2-CB 3.61Å; F460-P508 PolarHBondContact N-O 2.91Å; F460-L509 HydrophobicContact CB-CD1 3.92Å; F460-N510 WeakPolarHBondContact O-CB 3.23Å; F460-N510 PolarHBondContact O-N 2.97Å
461	A	86.8	Confident	80.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.2	174	0	0	0	0	0	109.9	V450 V452 G463 Y479 N510	V450-A461 WeakPolarHBondContact CB-O 3.4Å; V450-A461 PolarHBondContact N-O 2.78Å; V450-A461 PolarHBondContact O-N 3.32Å; V452-A461 HydrophobicContact CG2-CB 4.11Å; A461-G463 PolarHBondContact O-N 3.44Å; A461-Y479 HydrophobicContact CB-CD1 4.45Å; A461-Y479 HydrophobicContact CB-CG 4.1Å; A461-N510 WeakPolarHBondContact CA-O 3.33Å
462	L	85.6	Confident	80.6	Confident	19 Å²	19	29.2 Å²	29.2	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.5	179.3	-174.6	62.5	0	0	0	110.9	W62 W64 Y447 S477 N510 V511 I515	W62-L462 HydrophobicContact CH2-CD2 3.38Å; W62-L462 HydrophobicContact CZ2-CD1 4.34Å; W62-L462 HydrophobicContact CZ2-CD2 3.67Å; W62-L462 HydrophobicContact CZ3-CD2 3.97Å; W64-L462 HydrophobicContact CH2-CD1 3.48Å; W64-L462 VanDerWaalsContact CH2-CD1 3.48Å; W64-L462 HydrophobicContact CZ2-CD1 3.69Å; Y447-L462 HydrophobicContact CD1-CD1 3.99Å; Y447-L462 HydrophobicContact CD1-CG 4.34Å; L462-S477 WeakPolarHBondContact O-CB 3.48Å; L462-S477 PolarHBondContact O-OG 3.2Å; L462-N510 PolarHBondContact N-O 3.44Å; L462-V511 HydrophobicContact CB-CG2 4.31Å; L462-V511 HydrophobicContact CD2-CG1 4.08Å; L462-V511 HydrophobicContact CD2-CG2 4.4Å; L462-I515 HydrophobicContact CD2-CD1 3.52Å
463	G	85.4	Confident	81	Confident	3 Å²	3	29 Å²	29	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160.7	176.6	0	0	0	0	0	112.9	Y447 V448 A461 Q476	Y447-G463 WeakPolarHBondContact CA-O 3.18Å; V448-G463 PolarHBondContact N-O 2.84Å; V448-G463 CarbonylContact O-C 3.5Å; V448-G463 WeakPolarHBondContact O-CA 3.4Å; V448-G463 PolarHBondContact O-N 3.15Å; V448-G463 VanDerWaalsContact O-O 3.09Å; A461-G463 PolarHBondContact O-N 3.44Å; G463-Q476 CarbonylContact C-O 3.56Å; G463-Q476 VanDerWaalsContact CA-O 3.26Å; G463-Q476 WeakPolarHBondContact CA-O 3.47Å
464	I	83	Confident	82.2	Confident	38 Å²	38	27.7 Å²	27.7	20%	0.195	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.9	176.6	-169.7	176	0	0	0	110.6	Y447 I466 V475 Q476	Y447-I464 HydrophobicContact CD1-CB 4.33Å; Y447-I464 HydrophobicContact CE1-CB 4.24Å; Y447-I464 HydrophobicContact CE1-CD1 4.16Å; Y447-I464 HydrophobicContact CE1-CG1 4.35Å; Y447-I464 HydrophobicContact CE2-CD1 3.97Å; Y447-I464 HydrophobicContact CE2-CG1 4.37Å; I464-I466 HydrophobicContact CG2-CG2 4.16Å; I464-I466 PolarHBondContact O-N 2.91Å; I464-V475 WeakPolarHBondContact O-CA 3.49Å; I464-Q476 HydrophobicContact CG2-CB 4.13Å; I464-Q476 PolarHBondContact N-O 2.89Å; I464-Q476 PolarHBondContact O-N 2.94Å
465	V	84.3	Confident	83.3	Confident	1 Å²	1	23 Å²	23	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	108.4	175.5	179.3	0	0	0	0	109	V76 W442 R443 A444 G445 H446 V468 V473 W474 V475	V76-V465 HydrophobicContact CG2-CG2 3.89Å; W442-V465 HydrophobicContact CE3-CG2 4.37Å; W442-V465 HydrophobicContact CZ3-CG2 4.42Å; R443-V465 WeakPolarHBondContact O-CB 3.36Å; R443-V465 VanDerWaalsContact O-CG1 3.24Å; R443-V465 WeakPolarHBondContact O-CG1 3.21Å; A444-V465 CarbonylContact C-O 3.51Å; A444-V465 VanDerWaalsContact CA-O 3.28Å; A444-V465 WeakPolarHBondContact CA-O 3.46Å; G445-V465 PolarHBondContact N-O 3.18Å; H446-V465 HydrophobicContact CB-CB 4.41Å; H446-V465 HydrophobicContact CB-CG2 4.24Å; H446-V465 PolarHBondContact O-N 2.83Å; V465-V468 HydrophobicContact CG1-CG2 3.7Å; V465-V473 HydrophobicContact CB-CG2 4.44Å; V465-V473 HydrophobicContact CG1-CG2 3.47Å; V465-V473 VanDerWaalsContact CG1-CG2 3.47Å; V465-V473 HydrophobicContact CG2-CG2 4.16Å; V465-W474 CarbonylContact C-O 3.6Å; V465-W474 WeakPolarHBondContact CA-O 3.19Å; V465-V475 HydrophobicContact CG2-CG2 4.33Å
466	I	79.8	Confident	84.2	Confident	46 Å²	46	22.5 Å²	22.5	24%	0.236	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-20.5	179.7	61.7	167.4	0	0	0	113.2	I464 W474 Q476 H485 E677	I464-I466 HydrophobicContact CG2-CG2 4.16Å; I464-I466 PolarHBondContact O-N 2.91Å; I466-W474 HydrophobicContact CD1-CB 4.22Å; I466-W474 HydrophobicContact CG1-CB 3.62Å; I466-W474 PolarHBondContact N-O 3.12Å; I466-Q476 HydrophobicContact CD1-CB 4.35Å; I466-Q476 HydrophobicContact CG2-CB 3.6Å; I466-H485 HydrophobicContact CD1-CB 3.93Å; I466-E677 HydrophobicContact CD1-CB 3.99Å; I466-E677 HydrophobicContact CD1-CG 4.29Å
467	R	82.2	Confident	84.9	Confident	33 Å²	33	19.6 Å²	19.6	13%	0.125	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	143.4	179.5	-175.1	-174.8	-172.5	140.9	12.8	111.1	N404 H405 S469 W474 E677	N404-R467 PolarHBondContact O-NH2 3.04Å; H405-R467 PolarHBondContact O-NH1 3.12Å; H405-R467 PolarHBondContact O-NH2 3.09Å; R467-S469 PolarHBondContact NE-OG 2.83Å; R467-W474 HydrophobicContact CB-CB 3.9Å; R467-W474 HydrophobicContact CB-CD2 3.97Å; R467-W474 HydrophobicContact CB-CE3 3.95Å; R467-W474 HydrophobicContact CB-CG 3.94Å; R467-W474 HydrophobicContact CG-CD2 4.18Å; R467-W474 HydrophobicContact CG-CE3 3.9Å; R467-W474 HydrophobicContact CG-CZ3 4.44Å; R467-W474 PolarHBondContact O-N 2.8Å; R467-E677 IonicContact NH1-OE1 3.25Å
468	V	85.4	Confident	84.8	Confident	34 Å²	34	17.6 Å²	17.6	21%	0.206	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128	170.7	-174.8	0	0	0	0	107.7	W442 V465 V473 M490	W442-V468 HydrophobicContact CB-CG1 3.8Å; W442-V468 HydrophobicContact CB-CG2 4.04Å; V465-V468 HydrophobicContact CG1-CG2 3.7Å; V468-V473 HydrophobicContact CG2-CG2 4.36Å; V468-M490 HydrophobicContact CG1-CE 3.55Å
469	S	86.2	Confident	84.8	Confident	13 Å²	13	19.9 Å²	19.9	9%	0.091	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	86.9	174.8	-58.7	0	0	0	0	108.7	W400 R467 F472	W400-S469 WeakPolarHBondContact CZ2-O 3Å; R467-S469 PolarHBondContact NE-OG 2.83Å; S469-F472 CarbonylContact C-O 3.53Å; S469-F472 VanDerWaalsContact C-O 3.28Å; S469-F472 PolarHBondContact N-O 3.12Å; S469-F472 PolarHBondContact O-N 3.37Å; S469-F472 VanDerWaalsContact O-O 3.08Å
470	P	82.9	Confident	84.7	Confident	43 Å²	43	18.2 Å²	18.2	28%	0.279	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	141.6	-167	-26.5	32.7	0	0	0	114.5	W400 F472 M490	W400-P470 WeakPolarHBondContact CZ2-O 3.38Å; P470-F472 VanDerWaalsContact C-N 3.31Å; P470-F472 VanDerWaalsContact CA-N 3.34Å; P470-M490 HydrophobicContact CB-SD 4.14Å; P470-M490 HydrophobicContact CG-CE 4.26Å; P470-M490 HydrophobicContact CG-SD 4.37Å
471	P	85.6	Confident	83.7	Confident	8 Å²	8	19 Å²	19	5%	0.052	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.7	17.1	5.8	35	-37	0	0	0	114.8	V437 M490	V437-P471 HydrophobicContact CB-CB 4.25Å; V437-P471 HydrophobicContact CG2-CB 3.8Å; P471-M490 WeakPolarHBondContact O-CB 3.44Å; P471-M490 VanDerWaalsContact O-CG 3.23Å; P471-M490 WeakPolarHBondContact O-CG 3.49Å; P471-M490 PolarHBondContact O-N 3.34Å
472	F	90.4	Very high	82.7	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	148.9	-172.2	-55.6	-71.9	0	0	0	114.4	F352 A396 W400 S469 P470 W474 I487 F488 D489 M490	F352-F472 HydrophobicContact CE1-CD2 4.47Å; F352-F472 HydrophobicContact CE1-CE1 4.49Å; F352-F472 HydrophobicContact CE1-CE2 4.04Å; F352-F472 HydrophobicContact CE1-CZ 4.06Å; F352-F472 HydrophobicContact CE2-CD2 4.36Å; F352-F472 HydrophobicContact CE2-CG 4.4Å; F352-F472 AromaticContact CZ-CD1 3.98Å; F352-F472 HydrophobicContact CZ-CD1 3.98Å; F352-F472 AromaticContact CZ-CD2 3.63Å; F352-F472 HydrophobicContact CZ-CD2 3.63Å; F352-F472 HydrophobicContact CZ-CE1 4.03Å; F352-F472 AromaticContact CZ-CE2 3.64Å; F352-F472 HydrophobicContact CZ-CE2 3.64Å; F352-F472 AromaticContact CZ-CG 3.79Å; F352-F472 HydrophobicContact CZ-CG 3.79Å; F352-F472 AromaticContact CZ-CZ 3.85Å; F352-F472 HydrophobicContact CZ-CZ 3.85Å; A396-F472 HydrophobicContact CB-CE2 4.35Å; W400-F472 AromaticContact CH2-CD2 3.46Å; W400-F472 HydrophobicContact CH2-CD2 3.46Å; W400-F472 VanDerWaalsContact CH2-CD2 3.46Å; W400-F472 HydrophobicContact CH2-CE2 4.16Å; W400-F472 HydrophobicContact CH2-CG 4.42Å; W400-F472 AromaticContact CZ2-CD2 3.66Å; W400-F472 HydrophobicContact CZ2-CD2 3.66Å; W400-F472 HydrophobicContact CZ2-CE2 4.16Å; W400-F472 AromaticContact CZ3-CD2 3.97Å; W400-F472 HydrophobicContact CZ3-CD2 3.97Å; W400-F472 HydrophobicContact CZ3-CE2 4.36Å; S469-F472 CarbonylContact C-O 3.53Å; S469-F472 VanDerWaalsContact C-O 3.28Å; S469-F472 PolarHBondContact N-O 3.12Å; S469-F472 PolarHBondContact O-N 3.37Å; S469-F472 VanDerWaalsContact O-O 3.08Å; P470-F472 VanDerWaalsContact C-N 3.31Å; P470-F472 VanDerWaalsContact CA-N 3.34Å; F472-W474 HydrophobicContact CB-CH2 3.92Å; F472-W474 HydrophobicContact CB-CZ3 3.72Å; F472-W474 WeakPolarHBondContact O-CZ3 3.46Å; F472-I487 HydrophobicContact CB-CG2 3.9Å; F472-I487 HydrophobicContact CD1-CG2 4.33Å; F472-I487 HydrophobicContact CG-CG2 4.35Å; F472-F488 WeakPolarHBondContact CA-O 3.33Å; F472-D489 HydrophobicContact CD1-CB 4.21Å; F472-D489 HydrophobicContact CE1-CB 4.09Å; F472-D489 WeakPolarHBondContact CE1-OD2 3.37Å; F472-M490 WeakPolarHBondContact O-CE 3.44Å
473	V	90.3	Very high	81.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.1	177	65.1	0	0	0	0	110.7	W442 V465 V468 I487 F488 M490 L496	W442-V473 HydrophobicContact CE3-CB 4.35Å; W442-V473 HydrophobicContact CE3-CG1 4.31Å; W442-V473 HydrophobicContact CE3-CG2 3.81Å; W442-V473 HydrophobicContact CH2-CG1 4.25Å; W442-V473 HydrophobicContact CZ3-CG1 4.02Å; W442-V473 HydrophobicContact CZ3-CG2 4.09Å; V465-V473 HydrophobicContact CB-CG2 4.44Å; V465-V473 HydrophobicContact CG1-CG2 3.47Å; V465-V473 VanDerWaalsContact CG1-CG2 3.47Å; V465-V473 HydrophobicContact CG2-CG2 4.16Å; V468-V473 HydrophobicContact CG2-CG2 4.36Å; V473-I487 CarbonylContact O-C 3.57Å; V473-I487 WeakPolarHBondContact O-CA 3.44Å; V473-F488 HydrophobicContact CG1-CB 3.82Å; V473-F488 PolarHBondContact N-O 3.03Å; V473-F488 PolarHBondContact O-N 2.69Å; V473-M490 HydrophobicContact CB-CE 4.11Å; V473-L496 HydrophobicContact CG1-CD1 4.34Å
474	W	90.5	Very high	81.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.4	179.4	-70.9	-117.2	0	0	0	108.6	F352 W400 I406 V465 I466 R467 F472 H485 R486 I487 E677	F352-W474 HydrophobicContact CE2-CH2 4.38Å; F352-W474 HydrophobicContact CE2-CZ2 4.25Å; W400-W474 HydrophobicContact CH2-CH2 4.23Å; I406-W474 HydrophobicContact CD1-CH2 3.42Å; I406-W474 VanDerWaalsContact CD1-CH2 3.42Å; I406-W474 HydrophobicContact CD1-CZ2 3.62Å; I406-W474 HydrophobicContact CG1-CH2 4.27Å; I406-W474 HydrophobicContact CG1-CZ2 4.05Å; I406-W474 HydrophobicContact CG2-CZ2 4.42Å; V465-W474 CarbonylContact C-O 3.6Å; V465-W474 WeakPolarHBondContact CA-O 3.19Å; I466-W474 HydrophobicContact CD1-CB 4.22Å; I466-W474 HydrophobicContact CG1-CB 3.62Å; I466-W474 PolarHBondContact N-O 3.12Å; R467-W474 HydrophobicContact CB-CB 3.9Å; R467-W474 HydrophobicContact CB-CD2 3.97Å; R467-W474 HydrophobicContact CB-CE3 3.95Å; R467-W474 HydrophobicContact CB-CG 3.94Å; R467-W474 HydrophobicContact CG-CD2 4.18Å; R467-W474 HydrophobicContact CG-CE3 3.9Å; R467-W474 HydrophobicContact CG-CZ3 4.44Å; R467-W474 PolarHBondContact O-N 2.8Å; F472-W474 HydrophobicContact CB-CH2 3.92Å; F472-W474 HydrophobicContact CB-CZ3 3.72Å; F472-W474 WeakPolarHBondContact O-CZ3 3.46Å; W474-H485 AromaticContact CD1-CD2 3.54Å; W474-H485 AromaticContact CD1-NE2 3.51Å; W474-H485 AromaticContact NE1-NE2 4Å; W474-R486 WeakPolarHBondContact CA-O 3.47Å; W474-I487 HydrophobicContact CD2-CG1 4.25Å; W474-I487 HydrophobicContact CD2-CG2 4.43Å; W474-I487 HydrophobicContact CG-CG1 4.16Å; W474-I487 HydrophobicContact CH2-CG2 4.35Å; W474-I487 HydrophobicContact CZ2-CD1 3.84Å; W474-I487 HydrophobicContact CZ2-CG1 4.34Å; W474-I487 HydrophobicContact CZ2-CG2 4.22Å; W474-E677 HydrophobicContact CG-CG 4.16Å; W474-E677 PolarHBondContact NE1-OE1 3.25Å
475	V	89.7	Confident	81.2	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.2	175.2	-179.7	0	0	0	0	108.6	V448 V450 I464 V465 F480 H485 R486 F488 L496	V448-V475 HydrophobicContact CG1-CB 4.46Å; V448-V475 HydrophobicContact CG1-CG1 3.52Å; V448-V475 HydrophobicContact CG1-CG2 4.04Å; V450-V475 HydrophobicContact CG2-CG1 3.84Å; I464-V475 WeakPolarHBondContact O-CA 3.49Å; V465-V475 HydrophobicContact CG2-CG2 4.33Å; V475-F480 WeakPolarHBondContact O-CE2 3.44Å; V475-H485 CarbonylContact O-C 3.56Å; V475-H485 WeakPolarHBondContact O-CA 3.33Å; V475-H485 VanDerWaalsContact O-CB 3.24Å; V475-H485 WeakPolarHBondContact O-CB 3.34Å; V475-R486 PolarHBondContact N-O 2.87Å; V475-R486 PolarHBondContact O-N 3.49Å; V475-F488 HydrophobicContact CB-CD2 4.12Å; V475-F488 HydrophobicContact CB-CE2 3.99Å; V475-F488 HydrophobicContact CG2-CD2 3.96Å; V475-F488 HydrophobicContact CG2-CE2 4.26Å; V475-L496 HydrophobicContact CG2-CD1 3.92Å; V475-L496 HydrophobicContact CG2-CD2 4.1Å
476	Q	86	Confident	81.5	Confident	21 Å²	21	36.5 Å²	36.5	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.6	168.9	-171.3	-177.3	-50.1	0	0	108.7	G463 I464 I466 R484 H485	G463-Q476 CarbonylContact C-O 3.56Å; G463-Q476 VanDerWaalsContact CA-O 3.26Å; G463-Q476 WeakPolarHBondContact CA-O 3.47Å; I464-Q476 HydrophobicContact CG2-CB 4.13Å; I464-Q476 PolarHBondContact N-O 2.89Å; I464-Q476 PolarHBondContact O-N 2.94Å; I466-Q476 HydrophobicContact CD1-CB 4.35Å; I466-Q476 HydrophobicContact CG2-CB 3.6Å; Q476-R484 WeakPolarHBondContact CA-O 3.28Å; Q476-R484 VanDerWaalsContact CG-O 3.32Å; Q476-R484 WeakPolarHBondContact CG-O 3.39Å; Q476-H485 HydrophobicContact CB-CB 4.17Å
477	S	82.6	Confident	82.1	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.021	17%	0.17	C	C	.	.			trans	-153.3	138.1	173.2	179.1	0	0	0	0	108.7	L462 Y479 F480 R484	L462-S477 WeakPolarHBondContact O-CB 3.48Å; L462-S477 PolarHBondContact O-OG 3.2Å; S477-Y479 PolarHBondContact O-N 2.81Å; S477-F480 WeakPolarHBondContact O-CB 3.49Å; S477-F480 WeakPolarHBondContact O-CD2 3.3Å; S477-F480 PolarHBondContact O-N 3.39Å; S477-R484 PolarHBondContact N-O 3.44Å
478	D	71.4	Confident	82.5	Confident	36 Å²	36	32.9 Å²	32.9	19%	0.193	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-69.1	-13.4	-179	-87.7	30	0	0	0	113.1	F480 G481 Q483 Q513	D478-F480 PolarHBondContact O-N 3.18Å; D478-G481 CarbonylContact O-C 3.59Å; D478-G481 VanDerWaalsContact O-CA 3.25Å; D478-G481 WeakPolarHBondContact O-CA 3.35Å; D478-G481 PolarHBondContact O-N 3.05Å; D478-Q483 PolarHBondContact OD1-N 3.5Å; D478-Q513 HydrophobicContact CB-CG 4.13Å; D478-Q513 PolarHBondContact OD1-NE2 3.3Å; D478-Q513 WeakPolarHBondContact OD2-CG 3.29Å
479	Y	80.1	Confident	82.6	Confident	64 Å²	64	31.7 Å²	31.7	25%	0.251	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-59.1	-29	166	167.4	-122.3	0	0	0	112.6	V450 V452 A461 S477 G481	V450-Y479 HydrophobicContact CG1-CD1 4.34Å; V452-Y479 HydrophobicContact CB-CE2 4.38Å; V452-Y479 HydrophobicContact CG1-CE2 3.78Å; V452-Y479 HydrophobicContact CG2-CD1 4.23Å; V452-Y479 HydrophobicContact CG2-CD2 4.08Å; V452-Y479 HydrophobicContact CG2-CE1 4.17Å; V452-Y479 HydrophobicContact CG2-CE2 4.04Å; V452-Y479 HydrophobicContact CG2-CG 4.2Å; A461-Y479 HydrophobicContact CB-CD1 4.45Å; A461-Y479 HydrophobicContact CB-CG 4.1Å; S477-Y479 PolarHBondContact O-N 2.81Å; Y479-G481 PolarHBondContact O-N 3.42Å
480	F	81	Confident	82.6	Confident	19 Å²	19	31.4 Å²	31.4	8%	0.083	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-77.1	-4.7	172.4	-50.3	-40.2	0	0	0	112.9	V450 V475 S477 D478 R484 R486 F488	V450-F480 HydrophobicContact CG1-CE1 3.98Å; V450-F480 HydrophobicContact CG1-CZ 3.68Å; V450-F480 HydrophobicContact CG2-CZ 4.46Å; V475-F480 WeakPolarHBondContact O-CE2 3.44Å; S477-F480 WeakPolarHBondContact O-CB 3.49Å; S477-F480 WeakPolarHBondContact O-CD2 3.3Å; S477-F480 PolarHBondContact O-N 3.39Å; D478-F480 PolarHBondContact O-N 3.18Å; F480-R484 HydrophobicContact CB-CB 3.84Å; F480-R484 WeakPolarHBondContact O-CD 3.35Å; F480-R484 PolarHBondContact O-NH1 2.94Å; F480-R486 HydrophobicContact CD1-CG 4.03Å; F480-R486 HydrophobicContact CD2-CB 4.33Å; F480-R486 HydrophobicContact CD2-CG 4.08Å; F480-R486 HydrophobicContact CE1-CB 4.48Å; F480-R486 HydrophobicContact CE1-CG 4.06Å; F480-R486 HydrophobicContact CE2-CB 3.93Å; F480-R486 HydrophobicContact CE2-CG 4.09Å; F480-R486 HydrophobicContact CG-CG 4.05Å; F480-R486 HydrophobicContact CZ-CB 4.01Å; F480-R486 HydrophobicContact CZ-CG 4.07Å; F480-F488 HydrophobicContact CE2-CE2 4.45Å; F480-F488 HydrophobicContact CZ-CE2 4.06Å; F480-F488 AromaticContact CZ-CZ 3.97Å; F480-F488 HydrophobicContact CZ-CZ 3.97Å
481	G	69.4	Low	82.2	Confident	17 Å²	17	31.9 Å²	31.9	18%	0.175	15%	0.154	C	C	.	.	S	Bend	trans	102.3	158.8	-167.4	0	0	0	0	0	112	D478 Y479 Q483 R484	D478-G481 CarbonylContact O-C 3.59Å; D478-G481 VanDerWaalsContact O-CA 3.25Å; D478-G481 WeakPolarHBondContact O-CA 3.35Å; D478-G481 PolarHBondContact O-N 3.05Å; Y479-G481 PolarHBondContact O-N 3.42Å; G481-Q483 PolarHBondContact O-N 3.03Å; G481-R484 WeakPolarHBondContact O-CB 3.46Å; G481-R484 PolarHBondContact O-N 3.29Å
482	P	64.6	Low	81.8	Confident	110 Å²	110	32.6 Å²	32.6	71%	0.714	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	125.3	-171.9	-29.9	36.1	0	0	0	114	R484	P482-R484 PolarHBondContact O-N 2.77Å; P482-R484 VanDerWaalsContact O-N 3.1Å
483	Q	63.1	Low	81.5	Confident	59 Å²	59	32.6 Å²	32.6	28%	0.276	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	14.6	-175.8	-54.2	-158.2	0.3	0	0	116.7	D478 G481 S673	D478-Q483 PolarHBondContact OD1-N 3.5Å; G481-Q483 PolarHBondContact O-N 3.03Å; Q483-S673 PolarHBondContact OE1-O 2.96Å
484	R	74.7	Confident	81.4	Confident	164 Å²	164	33.2 Å²	33.2	62%	0.619	16%	0.162	S	C	*	.			trans	-82.7	153.8	174.6	-69.1	172.4	169.3	-172.4	0.4	111	Q476 S477 F480 G481 P482	Q476-R484 WeakPolarHBondContact CA-O 3.28Å; Q476-R484 VanDerWaalsContact CG-O 3.32Å; Q476-R484 WeakPolarHBondContact CG-O 3.39Å; S477-R484 PolarHBondContact N-O 3.44Å; F480-R484 HydrophobicContact CB-CB 3.84Å; F480-R484 WeakPolarHBondContact O-CD 3.35Å; F480-R484 PolarHBondContact O-NH1 2.94Å; G481-R484 WeakPolarHBondContact O-CB 3.46Å; G481-R484 PolarHBondContact O-N 3.29Å; P482-R484 PolarHBondContact O-N 2.77Å; P482-R484 VanDerWaalsContact O-N 3.1Å
485	H	85.3	Confident	81.3	Confident	21 Å²	21	35.8 Å²	35.8	10%	0.097	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.1	178.8	65.7	-102.3	0	0	0	110.1	I466 W474 V475 Q476 E677	I466-H485 HydrophobicContact CD1-CB 3.93Å; W474-H485 AromaticContact CD1-CD2 3.54Å; W474-H485 AromaticContact CD1-NE2 3.51Å; W474-H485 AromaticContact NE1-NE2 4Å; V475-H485 CarbonylContact O-C 3.56Å; V475-H485 WeakPolarHBondContact O-CA 3.33Å; V475-H485 VanDerWaalsContact O-CB 3.24Å; V475-H485 WeakPolarHBondContact O-CB 3.34Å; Q476-H485 HydrophobicContact CB-CB 4.17Å; H485-E677 IonicContact CE1-OE2 2.81Å; H485-E677 IonicContact NE2-OE2 2.76Å
486	R	89.8	Confident	81.4	Confident	73 Å²	73	35.8 Å²	35.8	28%	0.275	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.6	166.4	-74.9	-173.1	176.4	154.5	1.8	110.6	R349 W474 V475 F480 F488	R349-R486 HydrophobicContact CB-CB 4.45Å; R349-R486 HydrophobicContact CB-CG 4.38Å; R349-R486 CarbonylContact O-C 3.59Å; R349-R486 WeakPolarHBondContact O-CA 3.34Å; W474-R486 WeakPolarHBondContact CA-O 3.47Å; V475-R486 PolarHBondContact N-O 2.87Å; V475-R486 PolarHBondContact O-N 3.49Å; F480-R486 HydrophobicContact CD1-CG 4.03Å; F480-R486 HydrophobicContact CD2-CB 4.33Å; F480-R486 HydrophobicContact CD2-CG 4.08Å; F480-R486 HydrophobicContact CE1-CB 4.48Å; F480-R486 HydrophobicContact CE1-CG 4.06Å; F480-R486 HydrophobicContact CE2-CB 3.93Å; F480-R486 HydrophobicContact CE2-CG 4.09Å; F480-R486 HydrophobicContact CG-CG 4.05Å; F480-R486 HydrophobicContact CZ-CB 4.01Å; F480-R486 HydrophobicContact CZ-CG 4.07Å; R486-F488 HydrophobicContact CB-CD2 4.35Å; R486-F488 HydrophobicContact CB-CE2 3.67Å; R486-F488 HydrophobicContact CB-CZ 4.07Å
487	I	92.2	Very high	81.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.2	178.3	-53	178.6	0	0	0	107.7	L344 R349 F352 F472 V473 W474	L344-I487 HydrophobicContact CD1-CB 3.83Å; L344-I487 HydrophobicContact CD1-CD1 3.77Å; L344-I487 HydrophobicContact CD1-CG1 4.18Å; L344-I487 HydrophobicContact CD1-CG2 4.36Å; L344-I487 HydrophobicContact CD2-CB 3.91Å; L344-I487 HydrophobicContact CD2-CG2 4.13Å; L344-I487 VanDerWaalsContact CD2-O 3.27Å; L344-I487 WeakPolarHBondContact CD2-O 3.39Å; R349-I487 PolarHBondContact NE-O 2.97Å; R349-I487 PolarHBondContact NH2-O 3.48Å; R349-I487 VanDerWaalsContact NH2-O 3.07Å; R349-I487 WeakPolarHBondContact O-CB 3.4Å; R349-I487 PolarHBondContact O-N 2.78Å; F352-I487 HydrophobicContact CD2-CD1 4.14Å; F352-I487 HydrophobicContact CE2-CD1 4.07Å; F352-I487 HydrophobicContact CE2-CG2 3.99Å; F352-I487 HydrophobicContact CZ-CG2 4.38Å; F472-I487 HydrophobicContact CB-CG2 3.9Å; F472-I487 HydrophobicContact CD1-CG2 4.33Å; F472-I487 HydrophobicContact CG-CG2 4.35Å; V473-I487 CarbonylContact O-C 3.57Å; V473-I487 WeakPolarHBondContact O-CA 3.44Å; W474-I487 HydrophobicContact CD2-CG1 4.25Å; W474-I487 HydrophobicContact CD2-CG2 4.43Å; W474-I487 HydrophobicContact CG-CG1 4.16Å; W474-I487 HydrophobicContact CH2-CG2 4.35Å; W474-I487 HydrophobicContact CZ2-CD1 3.84Å; W474-I487 HydrophobicContact CZ2-CG1 4.34Å; W474-I487 HydrophobicContact CZ2-CG2 4.22Å
488	F	90.9	Very high	81.7	Confident	3 Å²	3	34.7 Å²	34.7	1%	0.013	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	149.2	176.3	-65.6	-90.4	0	0	0	110.1	F472 V473 V475 F480 R486 D495 L496	F472-F488 WeakPolarHBondContact CA-O 3.33Å; V473-F488 HydrophobicContact CG1-CB 3.82Å; V473-F488 PolarHBondContact N-O 3.03Å; V473-F488 PolarHBondContact O-N 2.69Å; V475-F488 HydrophobicContact CB-CD2 4.12Å; V475-F488 HydrophobicContact CB-CE2 3.99Å; V475-F488 HydrophobicContact CG2-CD2 3.96Å; V475-F488 HydrophobicContact CG2-CE2 4.26Å; F480-F488 HydrophobicContact CE2-CE2 4.45Å; F480-F488 HydrophobicContact CZ-CE2 4.06Å; F480-F488 AromaticContact CZ-CZ 3.97Å; F480-F488 HydrophobicContact CZ-CZ 3.97Å; R486-F488 HydrophobicContact CB-CD2 4.35Å; R486-F488 HydrophobicContact CB-CE2 3.67Å; R486-F488 HydrophobicContact CB-CZ 4.07Å; F488-D495 HydrophobicContact CE1-CB 3.94Å; F488-L496 HydrophobicContact CB-CD1 3.88Å; F488-L496 HydrophobicContact CD1-CD1 4.17Å; F488-L496 HydrophobicContact CD1-CD2 4.46Å; F488-L496 HydrophobicContact CD1-CG 4.08Å; F488-L496 HydrophobicContact CD2-CD1 3.93Å; F488-L496 HydrophobicContact CD2-CD2 4.21Å; F488-L496 HydrophobicContact CD2-CG 4.35Å; F488-L496 HydrophobicContact CE1-CD2 4.26Å; F488-L496 HydrophobicContact CE1-CG 4.29Å; F488-L496 HydrophobicContact CE2-CD2 3.99Å; F488-L496 HydrophobicContact CG-CD1 3.71Å; F488-L496 HydrophobicContact CG-CD2 4.44Å; F488-L496 HydrophobicContact CG-CG 4.11Å; F488-L496 HydrophobicContact CZ-CD2 4.01Å
489	D	87.5	Confident	82.2	Confident	9 Å²	9	33.2 Å²	33.2	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127	171.7	-167.9	-47.8	0	0	0	106.6	T393 G394 F472 N491 D492 C493	T393-D489 WeakPolarHBondContact CB-OD2 3.41Å; T393-D489 HydrophobicContact CG2-CB 4.15Å; G394-D489 PolarHBondContact N-OD2 3.13Å; G394-D489 VanDerWaalsContact N-OD2 3.11Å; F472-D489 HydrophobicContact CD1-CB 4.21Å; F472-D489 HydrophobicContact CE1-CB 4.09Å; F472-D489 WeakPolarHBondContact CE1-OD2 3.37Å; D489-N491 PolarHBondContact O-N 3.15Å; D489-N491 WeakPolarHBondContact OD1-CB 3.34Å; D489-N491 PolarHBondContact OD1-N 2.91Å; D489-N491 VanDerWaalsContact OD1-N 3.1Å; D489-N491 PolarHBondContact OD1-ND2 3.43Å; D489-D492 HydrophobicContact CB-CB 4.4Å; D489-D492 CarbonylContact O-C 3.55Å; D489-D492 PolarHBondContact O-N 2.78Å; D489-C493 PolarHBondContact O-N 3.5Å
490	M	85.8	Confident	82	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.034	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.8	-176.4	-70.9	166	177.2	0	0	112.1	V437 W442 V468 P470 P471 F472 V473 D492 C493	V437-M490 HydrophobicContact CG1-CB 3.79Å; V437-M490 HydrophobicContact CG1-CG 4.45Å; V437-M490 HydrophobicContact CG1-SD 3.83Å; W442-M490 HydrophobicContact CB-CE 4.19Å; W442-M490 HydrophobicContact CG-CE 4Å; V468-M490 HydrophobicContact CG1-CE 3.55Å; P470-M490 HydrophobicContact CB-SD 4.14Å; P470-M490 HydrophobicContact CG-CE 4.26Å; P470-M490 HydrophobicContact CG-SD 4.37Å; P471-M490 WeakPolarHBondContact O-CB 3.44Å; P471-M490 VanDerWaalsContact O-CG 3.23Å; P471-M490 WeakPolarHBondContact O-CG 3.49Å; P471-M490 PolarHBondContact O-N 3.34Å; F472-M490 WeakPolarHBondContact O-CE 3.44Å; V473-M490 HydrophobicContact CB-CE 4.11Å; M490-D492 VanDerWaalsContact C-N 3.27Å; M490-D492 PolarHBondContact O-N 2.82Å; M490-C493 PolarHBondContact O-SG 3.17Å
491	N	75.7	Confident	82	Confident	52 Å²	52	29.6 Å²	29.6	28%	0.278	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.7	177	-51.2	-77.5	0	0	0	113.5	R260 V437 D489	R260-N491 PolarHBondContact NH2-O 3.41Å; V437-N491 WeakPolarHBondContact CG2-ND2 3.25Å; V437-N491 WeakPolarHBondContact CG2-OD1 3.34Å; D489-N491 PolarHBondContact O-N 3.15Å; D489-N491 WeakPolarHBondContact OD1-CB 3.34Å; D489-N491 PolarHBondContact OD1-N 2.91Å; D489-N491 VanDerWaalsContact OD1-N 3.1Å; D489-N491 PolarHBondContact OD1-ND2 3.43Å
492	D	77.1	Confident	82.6	Confident	23 Å²	23	29 Å²	29	12%	0.123	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-150.4	52.8	-172.6	-169.7	28	0	0	0	109.3	R260 T393 D489 M490 T494	R260-D492 IonicContact NE-OD1 3.23Å; T393-D492 HydrophobicContact CG2-CB 3.33Å; T393-D492 WeakPolarHBondContact CG2-OD2 3.4Å; T393-D492 PolarHBondContact OG1-OD2 3.39Å; D489-D492 HydrophobicContact CB-CB 4.4Å; D489-D492 CarbonylContact O-C 3.55Å; D489-D492 PolarHBondContact O-N 2.78Å; M490-D492 VanDerWaalsContact C-N 3.27Å; M490-D492 PolarHBondContact O-N 2.82Å; D492-T494 VanDerWaalsContact C-N 3.31Å
493	C	83.8	Confident	82.8	Confident	3 Å²	3	27 Å²	27	2%	0.02	13%	0.134	C	C	.	.			trans	-95.5	30.9	-179.2	55.5	0	0	0	0	112	L81 H83 W442 D489 M490 D495 L496	L81-C493 HydrophobicContact CD2-CB 4.47Å; H83-C493 PolarHBondContact CE1-O 3.11Å; W442-C493 HydrophobicContact CZ2-CB 4.5Å; D489-C493 PolarHBondContact O-N 3.5Å; M490-C493 PolarHBondContact O-SG 3.17Å; C493-D495 PolarHBondContact O-N 2.92Å; C493-D495 VanDerWaalsContact O-N 3.09Å; C493-L496 HydrophobicContact CB-CB 4.47Å; C493-L496 HydrophobicContact CB-CD1 4.3Å; C493-L496 WeakPolarHBondContact O-CB 3.26Å; C493-L496 PolarHBondContact O-N 2.91Å
494	T	87.3	Confident	83.1	Confident	12 Å²	12	25.5 Å²	25.5	7%	0.074	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-3.4	-172.4	50.8	0	0	0	0	115.2	H83 F258 D492 Y497	H83-T494 HydrophobicContact CB-CG2 4.2Å; F258-T494 HydrophobicContact CB-CG2 4.12Å; D492-T494 VanDerWaalsContact C-N 3.31Å; T494-Y497 WeakPolarHBondContact O-CE2 3.45Å
495	D	89	Confident	83	Confident	54 Å²	54	18.6 Å²	18.6	29%	0.289	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.7	169.2	-58.5	-43.3	0	0	0	113.1	A451 F488 C493	A451-D495 HydrophobicContact CB-CB 4.49Å; A451-D495 PolarHBondContact N-O 3.21Å; F488-D495 HydrophobicContact CE1-CB 3.94Å; C493-D495 PolarHBondContact O-N 2.92Å; C493-D495 VanDerWaalsContact O-N 3.09Å
496	L	91.8	Very high	82.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.5	-174	-64.2	-176.1	0	0	0	111.7	L81 H83 W442 V448 V450 V473 V475 F488 C493	L81-L496 WeakPolarHBondContact CD1-O 3.23Å; L81-L496 HydrophobicContact CD2-CB 4.25Å; L81-L496 WeakPolarHBondContact CD2-O 3.4Å; H83-L496 PolarHBondContact CE1-O 2.84Å; H83-L496 PolarHBondContact NE2-O 2.87Å; W442-L496 HydrophobicContact CH2-CD1 3.95Å; W442-L496 HydrophobicContact CZ3-CD1 4.26Å; V448-L496 HydrophobicContact CG1-CD2 4.32Å; V448-L496 HydrophobicContact CG2-CB 3.91Å; V448-L496 HydrophobicContact CG2-CD2 4.16Å; V448-L496 HydrophobicContact CG2-CG 4.47Å; V450-L496 HydrophobicContact CG2-CD2 3.98Å; V473-L496 HydrophobicContact CG1-CD1 4.34Å; V475-L496 HydrophobicContact CG2-CD1 3.92Å; V475-L496 HydrophobicContact CG2-CD2 4.1Å; F488-L496 HydrophobicContact CB-CD1 3.88Å; F488-L496 HydrophobicContact CD1-CD1 4.17Å; F488-L496 HydrophobicContact CD1-CD2 4.46Å; F488-L496 HydrophobicContact CD1-CG 4.08Å; F488-L496 HydrophobicContact CD2-CD1 3.93Å; F488-L496 HydrophobicContact CD2-CD2 4.21Å; F488-L496 HydrophobicContact CD2-CG 4.35Å; F488-L496 HydrophobicContact CE1-CD2 4.26Å; F488-L496 HydrophobicContact CE1-CG 4.29Å; F488-L496 HydrophobicContact CE2-CD2 3.99Å; F488-L496 HydrophobicContact CG-CD1 3.71Å; F488-L496 HydrophobicContact CG-CD2 4.44Å; F488-L496 HydrophobicContact CG-CG 4.11Å; F488-L496 HydrophobicContact CZ-CD2 4.01Å; C493-L496 HydrophobicContact CB-CB 4.47Å; C493-L496 HydrophobicContact CB-CD1 4.3Å; C493-L496 WeakPolarHBondContact O-CB 3.26Å; C493-L496 PolarHBondContact O-N 2.91Å
497	Y	89.7	Confident	81.7	Confident	1 Å²	1	20 Å²	20	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.4	-171.6	-71.4	-96.6	0	0	0	111.3	I84 R239 V448 E449 A451 F460 T494 W501	I84-Y497 HydrophobicContact CD1-CD1 3.61Å; I84-Y497 HydrophobicContact CD1-CE1 3.88Å; R239-Y497 WeakPolarHBondContact CD-OH 3.46Å; R239-Y497 WeakPolarHBondContact CG-OH 3.24Å; R239-Y497 PolarHBondContact NH1-OH 3.36Å; V448-Y497 WeakPolarHBondContact CG2-O 3.45Å; E449-Y497 PolarHBondContact N-O 2.86Å; E449-Y497 PolarHBondContact O-N 3.32Å; A451-Y497 HydrophobicContact CB-CD2 4.22Å; A451-Y497 HydrophobicContact CB-CE2 3.92Å; F460-Y497 HydrophobicContact CD1-CD2 4.34Å; F460-Y497 HydrophobicContact CD1-CG 4.48Å; F460-Y497 HydrophobicContact CE1-CD1 4.27Å; F460-Y497 AromaticContact CE1-CD2 3.68Å; F460-Y497 HydrophobicContact CE1-CD2 3.68Å; F460-Y497 HydrophobicContact CE1-CE2 4.1Å; F460-Y497 AromaticContact CE1-CG 3.78Å; F460-Y497 HydrophobicContact CE1-CG 3.78Å; T494-Y497 WeakPolarHBondContact O-CE2 3.45Å; Y497-W501 AromaticContact CD1-CD1 3.44Å; Y497-W501 VanDerWaalsContact CD1-CD1 3.44Å; Y497-W501 AromaticContact CD1-CD2 3.67Å; Y497-W501 HydrophobicContact CD1-CD2 3.67Å; Y497-W501 AromaticContact CD1-CE2 3.5Å; Y497-W501 HydrophobicContact CD1-CE3 4.49Å; Y497-W501 AromaticContact CD1-CG 3.64Å; Y497-W501 HydrophobicContact CD1-CG 3.64Å; Y497-W501 HydrophobicContact CD1-CZ2 4.19Å; Y497-W501 AromaticContact CD1-NE1 3.35Å; Y497-W501 HydrophobicContact CE1-CD2 4.39Å; Y497-W501 AromaticContact CE1-CE2 3.75Å; Y497-W501 HydrophobicContact CE1-CZ2 4.1Å; Y497-W501 AromaticContact CE1-NE1 3.56Å; Y497-W501 AromaticContact CG-CD1 4Å; Y497-W501 HydrophobicContact CG-CG 4.17Å
498	P	86.1	Confident	81.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.142	C	C	.	.			trans	-71.7	149.9	178.6	33	-35.7	0	0	0	110.6	R78 L81 I84 A120 G500 W501	R78-P498 HydrophobicContact CG-CB 4.42Å; L81-P498 HydrophobicContact CD1-CB 4.33Å; L81-P498 HydrophobicContact CD1-CG 4.49Å; I84-P498 HydrophobicContact CG2-CG 4.38Å; A120-P498 HydrophobicContact CB-CG 4.43Å; P498-G500 PolarHBondContact O-N 3.4Å; P498-W501 HydrophobicContact CG-CB 4.39Å; P498-W501 HydrophobicContact CG-CE3 3.88Å; P498-W501 WeakPolarHBondContact O-CB 3.38Å; P498-W501 PolarHBondContact O-N 3.19Å; P498-W501 VanDerWaalsContact O-N 3.08Å
499	C	82.2	Confident	80.7	Confident	6 Å²	6	24.2 Å²	24.2	4%	0.041	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	133.2	-177	-60	0	0	0	0	112.3	W64 S75 G119 A120 Y447	W64-C499 HydrophobicContact CD2-CB 3.99Å; W64-C499 HydrophobicContact CE3-CB 3.87Å; W64-C499 HydrophobicContact CH2-CB 3.38Å; W64-C499 WeakPolarHBondContact CH2-SG 3.46Å; W64-C499 HydrophobicContact CZ2-CB 3.49Å; W64-C499 VanDerWaalsContact CZ2-CB 3.49Å; W64-C499 HydrophobicContact CZ3-CB 3.57Å; S75-C499 VanDerWaalsContact CB-SG 3.55Å; S75-C499 PolarHBondContact OG-N 3.15Å; S75-C499 PolarHBondContact OG-SG 3.45Å; G119-C499 CarbonylContact C-O 3.59Å; G119-C499 VanDerWaalsContact CA-O 3.27Å; G119-C499 WeakPolarHBondContact CA-O 3.44Å; A120-C499 PolarHBondContact N-O 2.99Å; Y447-C499 VanDerWaalsContact CB-SG 3.51Å; Y447-C499 PolarHBondContact O-SG 3.13Å
500	G	74.3	Confident	80.1	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-1.4	-171.9	0	0	0	0	0	114	W64 A120 E449 P498 S502 A503 A504	W64-G500 VanDerWaalsContact CD1-CA 3.5Å; W64-G500 VanDerWaalsContact NE1-N 3.16Å; A120-G500 VanDerWaalsContact CB-C 3.46Å; E449-G500 PolarHBondContact OE1-N 3.43Å; P498-G500 PolarHBondContact O-N 3.4Å; G500-S502 VanDerWaalsContact C-N 3.35Å; G500-S502 PolarHBondContact O-N 2.87Å; G500-A503 WeakPolarHBondContact O-CB 3.17Å; G500-A503 PolarHBondContact O-N 2.84Å; G500-A504 PolarHBondContact O-N 2.92Å
501	W	81.9	Confident	79.3	Confident	6 Å²	6	27.5 Å²	27.5	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-43.1	177.3	-174.7	-88.6	0	0	0	111.5	I84 L87 F141 H237 E449 F460 Y497 P498 A503 A504 V505	I84-W501 HydrophobicContact CD1-CD2 4.45Å; I84-W501 HydrophobicContact CD1-CE3 4.11Å; I84-W501 HydrophobicContact CD1-CH2 3.9Å; I84-W501 HydrophobicContact CD1-CZ2 4.25Å; I84-W501 HydrophobicContact CD1-CZ3 3.83Å; I84-W501 HydrophobicContact CG2-CZ3 4.07Å; L87-W501 HydrophobicContact CD1-CH2 3.65Å; L87-W501 HydrophobicContact CD1-CZ2 3.93Å; F141-W501 HydrophobicContact CD1-CH2 4.3Å; F141-W501 AromaticContact CD1-CZ3 3.79Å; F141-W501 HydrophobicContact CD1-CZ3 3.79Å; F141-W501 HydrophobicContact CD2-CE3 4.07Å; F141-W501 AromaticContact CD2-CZ3 3.8Å; F141-W501 HydrophobicContact CD2-CZ3 3.8Å; F141-W501 HydrophobicContact CE1-CH2 4.31Å; F141-W501 AromaticContact CE1-CZ3 3.69Å; F141-W501 HydrophobicContact CE1-CZ3 3.69Å; F141-W501 AromaticContact CE2-CE3 3.99Å; F141-W501 HydrophobicContact CE2-CE3 3.99Å; F141-W501 AromaticContact CE2-CZ3 3.68Å; F141-W501 HydrophobicContact CE2-CZ3 3.68Å; F141-W501 HydrophobicContact CG-CE3 4.47Å; F141-W501 AromaticContact CG-CZ3 3.86Å; F141-W501 HydrophobicContact CG-CZ3 3.86Å; F141-W501 HydrophobicContact CZ-CE3 4.37Å; F141-W501 AromaticContact CZ-CZ3 3.65Å; F141-W501 HydrophobicContact CZ-CZ3 3.65Å; H237-W501 HydrophobicContact CB-CZ2 4.11Å; H237-W501 WeakPolarHBondContact O-CZ2 3.37Å; E449-W501 WeakPolarHBondContact OE2-CB 3.41Å; E449-W501 PolarHBondContact OE2-N 2.68Å; E449-W501 VanDerWaalsContact OE2-N 3.08Å; F460-W501 AromaticContact CE1-CD1 3.81Å; F460-W501 AromaticContact CZ-CD1 3.64Å; Y497-W501 AromaticContact CD1-CD1 3.44Å; Y497-W501 VanDerWaalsContact CD1-CD1 3.44Å; Y497-W501 AromaticContact CD1-CD2 3.67Å; Y497-W501 HydrophobicContact CD1-CD2 3.67Å; Y497-W501 AromaticContact CD1-CE2 3.5Å; Y497-W501 HydrophobicContact CD1-CE3 4.49Å; Y497-W501 AromaticContact CD1-CG 3.64Å; Y497-W501 HydrophobicContact CD1-CG 3.64Å; Y497-W501 HydrophobicContact CD1-CZ2 4.19Å; Y497-W501 AromaticContact CD1-NE1 3.35Å; Y497-W501 HydrophobicContact CE1-CD2 4.39Å; Y497-W501 AromaticContact CE1-CE2 3.75Å; Y497-W501 HydrophobicContact CE1-CZ2 4.1Å; Y497-W501 AromaticContact CE1-NE1 3.56Å; Y497-W501 AromaticContact CG-CD1 4Å; Y497-W501 HydrophobicContact CG-CG 4.17Å; P498-W501 HydrophobicContact CG-CB 4.39Å; P498-W501 HydrophobicContact CG-CE3 3.88Å; P498-W501 WeakPolarHBondContact O-CB 3.38Å; P498-W501 PolarHBondContact O-N 3.19Å; P498-W501 VanDerWaalsContact O-N 3.08Å; W501-A503 PolarHBondContact O-N 3.42Å; W501-A504 PolarHBondContact O-N 3Å; W501-A504 VanDerWaalsContact O-N 3.14Å; W501-V505 HydrophobicContact CD2-CG1 4.48Å; W501-V505 HydrophobicContact CZ2-CG1 4.36Å; W501-V505 WeakPolarHBondContact O-CG1 3.42Å; W501-V505 WeakPolarHBondContact O-CG2 3.37Å; W501-V505 PolarHBondContact O-N 3.14Å
502	S	80.8	Confident	78.3	Confident	5 Å²	5	31.2 Å²	31.2	4%	0.035	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-40.1	174.7	71.6	0	0	0	0	111.8	E449 G500 V505 D506 A507	E449-S502 WeakPolarHBondContact OE2-CB 3.15Å; E449-S502 PolarHBondContact OE2-N 3.29Å; G500-S502 VanDerWaalsContact C-N 3.35Å; G500-S502 PolarHBondContact O-N 2.87Å; S502-V505 PolarHBondContact O-N 3.44Å; S502-D506 PolarHBondContact O-N 2.83Å; S502-D506 VanDerWaalsContact O-N 3.16Å; S502-A507 CarbonylContact C-O 3.46Å; S502-A507 WeakPolarHBondContact CB-O 3.12Å; S502-A507 PolarHBondContact O-N 3.3Å
503	A	70.8	Confident	77	Confident	69 Å²	69	33.6 Å²	33.6	57%	0.57	19%	0.19	S	C	*	.	H	α-helix	trans	-70.3	-41.4	177.3	0	0	0	0	0	112.2	G500 W501 V505 D506	G500-A503 WeakPolarHBondContact O-CB 3.17Å; G500-A503 PolarHBondContact O-N 2.84Å; W501-A503 PolarHBondContact O-N 3.42Å; A503-V505 PolarHBondContact O-N 3.3Å; A503-D506 PolarHBondContact O-N 3.33Å
504	A	67.5	Low	74.9	Confident	27 Å²	27	42 Å²	42	22%	0.223	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-29.5	176.5	0	0	0	0	0	113.2	D139 G500 W501	D139-A504 WeakPolarHBondContact OD1-CB 3.38Å; D139-A504 WeakPolarHBondContact OD2-CB 3.47Å; G500-A504 PolarHBondContact O-N 2.92Å; W501-A504 PolarHBondContact O-N 3Å; W501-A504 VanDerWaalsContact O-N 3.14Å
505	V	72.6	Confident	72.7	Confident	19 Å²	19	43.2 Å²	43.2	12%	0.115	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	6.1	-178.1	-48.1	0	0	0	0	114.4	H237 F460 W501 S502 A503 A507	H237-V505 HydrophobicContact CB-CB 4.37Å; H237-V505 HydrophobicContact CB-CG1 3.54Å; H237-V505 WeakPolarHBondContact ND1-CB 3.21Å; H237-V505 WeakPolarHBondContact ND1-CG1 3.37Å; F460-V505 HydrophobicContact CE2-CG2 4.12Å; W501-V505 HydrophobicContact CD2-CG1 4.48Å; W501-V505 HydrophobicContact CZ2-CG1 4.36Å; W501-V505 WeakPolarHBondContact O-CG1 3.42Å; W501-V505 WeakPolarHBondContact O-CG2 3.37Å; W501-V505 PolarHBondContact O-N 3.14Å; S502-V505 PolarHBondContact O-N 3.44Å; A503-V505 PolarHBondContact O-N 3.3Å; V505-A507 VanDerWaalsContact C-N 3.31Å; V505-A507 HydrophobicContact CG2-CB 3.63Å; V505-A507 PolarHBondContact O-N 2.7Å
506	D	71.1	Confident	70.1	Confident	106 Å²	106	44.9 Å²	44.9	57%	0.567	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	39.8	-173.2	-152.5	41.2	0	0	0	114.7	R43 S502 A503	R43-D506 IonicContact CZ-OD1 2.69Å; R43-D506 VanDerWaalsContact CZ-OD1 3.24Å; R43-D506 IonicContact CZ-OD2 3.31Å; R43-D506 IonicContact NH1-OD1 2.7Å; R43-D506 PolarHBondContact NH1-OD1 3.01Å; R43-D506 IonicContact NH2-OD1 2.71Å; R43-D506 PolarHBondContact NH2-OD1 2.72Å; R43-D506 IonicContact NH2-OD2 2.62Å; R43-D506 PolarHBondContact NH2-OD2 2.85Å; S502-D506 PolarHBondContact O-N 2.83Å; S502-D506 VanDerWaalsContact O-N 3.16Å; A503-D506 PolarHBondContact O-N 3.33Å
507	A	77.4	Confident	67.1	Low	16 Å²	16	49 Å²	49	13%	0.132	27%	0.274	C	S	.	.			trans	-101.5	144.4	175.3	0	0	0	0	0	112.3	D458 F460 S502 V505	D458-A507 WeakPolarHBondContact O-CB 3.42Å; F460-A507 HydrophobicContact CD2-CB 3.71Å; F460-A507 HydrophobicContact CE2-CB 3.61Å; S502-A507 CarbonylContact C-O 3.46Å; S502-A507 WeakPolarHBondContact CB-O 3.12Å; S502-A507 PolarHBondContact O-N 3.3Å; V505-A507 VanDerWaalsContact C-N 3.31Å; V505-A507 HydrophobicContact CG2-CB 3.63Å; V505-A507 PolarHBondContact O-N 2.7Å
508	P	80.2	Confident	64.3	Low	60 Å²	60	54 Å²	54	39%	0.39	31%	0.307	S	S	.	.			trans	-65	138.1	176.3	27.5	-37	0	0	0	112.9	V457 D458 E459 F460	V457-P508 HydrophobicContact CG1-CG 4.04Å; D458-P508 WeakPolarHBondContact O-CD 3.46Å; E459-P508 HydrophobicContact CB-CG 4.24Å; E459-P508 HydrophobicContact CG-CG 3.86Å; F460-P508 PolarHBondContact N-O 2.91Å
509	L	82	Confident	61.7	Low	33 Å²	33	59.5 Å²	59.5	17%	0.173	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	108.7	171.6	-177.6	60.2	0	0	0	110.5	W62 W64 E449 F460 V511	W62-L509 HydrophobicContact CG-CD2 4.18Å; W64-L509 HydrophobicContact CZ2-CD2 4.13Å; E449-L509 HydrophobicContact CG-CD1 3.94Å; F460-L509 HydrophobicContact CB-CD1 3.92Å; L509-V511 HydrophobicContact CD2-CG2 4.36Å; L509-V511 HydrophobicContact CG-CG2 4.1Å; L509-V511 PolarHBondContact O-N 2.85Å
510	N	75.2	Confident	59.4	Low	39 Å²	39	68.8 Å²	68.8	21%	0.209	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	108.5	176.2	-71.4	-61.8	0	0	0	111.2	E459 F460 A461 L462 Y512	E459-N510 PolarHBondContact OE2-ND2 2.71Å; F460-N510 WeakPolarHBondContact O-CB 3.23Å; F460-N510 PolarHBondContact O-N 2.97Å; A461-N510 WeakPolarHBondContact CA-O 3.33Å; L462-N510 PolarHBondContact N-O 3.44Å; N510-Y512 HydrophobicContact CB-CD2 4.16Å; N510-Y512 HydrophobicContact CB-CE1 4.24Å; N510-Y512 HydrophobicContact CB-CE2 3.54Å
511	V	67.9	Low	57.5	Low	46 Å²	46	73.3 Å²	73.3	28%	0.279	41%	0.405	S	S	.	.			trans	-103.8	79.4	174.7	-172.1	0	0	0	0	109.4	W62 L462 L509 Q513 I515	W62-V511 HydrophobicContact CB-CG2 4.28Å; W62-V511 HydrophobicContact CD2-CG2 3.92Å; W62-V511 HydrophobicContact CE3-CB 4.41Å; W62-V511 HydrophobicContact CE3-CG1 3.97Å; W62-V511 HydrophobicContact CE3-CG2 3.82Å; W62-V511 HydrophobicContact CG-CG2 4.14Å; W62-V511 HydrophobicContact CZ3-CG1 3.93Å; W62-V511 HydrophobicContact CZ3-CG2 4.42Å; L462-V511 HydrophobicContact CB-CG2 4.31Å; L462-V511 HydrophobicContact CD2-CG1 4.08Å; L462-V511 HydrophobicContact CD2-CG2 4.4Å; L509-V511 HydrophobicContact CD2-CG2 4.36Å; L509-V511 HydrophobicContact CG-CG2 4.1Å; L509-V511 PolarHBondContact O-N 2.85Å; V511-Q513 VanDerWaalsContact C-N 3.32Å; V511-Q513 PolarHBondContact O-N 3.26Å; V511-I515 HydrophobicContact CG1-CD1 4.44Å
512	Y	56.1	Low	55.4	Low	130 Å²	130	76.5 Å²	76.5	51%	0.51	43%	0.426	S	S	.	.			trans	-69.8	-25.2	-176.4	-63.2	-65.9	0	0	0	114.3	N510	N510-Y512 HydrophobicContact CB-CD2 4.16Å; N510-Y512 HydrophobicContact CB-CE1 4.24Å; N510-Y512 HydrophobicContact CB-CE2 3.54Å
513	Q	49.4	Very low	53.7	Low	74 Å²	74	81.7 Å²	81.7	35%	0.346	45%	0.454	S	S	.	.	S	Bend	trans	-76.5	130.9	172.9	-72.5	-172.2	6.7	0	0	109.9	D478 V511 I515	D478-Q513 HydrophobicContact CB-CG 4.13Å; D478-Q513 PolarHBondContact OD1-NE2 3.3Å; D478-Q513 WeakPolarHBondContact OD2-CG 3.29Å; V511-Q513 VanDerWaalsContact C-N 3.32Å; V511-Q513 PolarHBondContact O-N 3.26Å; Q513-I515 HydrophobicContact CB-CG1 4.1Å; Q513-I515 PolarHBondContact O-N 3.35Å
514	K	40.1	Very low	52.7	Low	178 Å²	178	80.7 Å²	80.7	77%	0.774	44%	0.442	S	S	*	.			trans	-63.9	74.9	139.6	-75.6	-173.9	175.9	-178.7	0	108.3
515	I	41.6	Very low	52.4	Low	38 Å²	38	81.9 Å²	81.9	20%	0.195	45%	0.449	C	S	.	.			trans	-46	130.8	144.2	-68.6	171.8	0	0	0	104.2	W62 L462 V511 Q513 S517	W62-I515 HydrophobicContact CH2-CD1 3.79Å; W62-I515 HydrophobicContact CZ3-CD1 3.89Å; L462-I515 HydrophobicContact CD2-CD1 3.52Å; V511-I515 HydrophobicContact CG1-CD1 4.44Å; Q513-I515 HydrophobicContact CB-CG1 4.1Å; Q513-I515 PolarHBondContact O-N 3.35Å; I515-S517 PolarHBondContact O-N 2.58Å
516	P	33.3	Very low	52.5	Low	90 Å²	90	84.2 Å²	84.2	58%	0.584	46%	0.46	S	S	*	.			trans	-55.3	107.4	178.3	-23.8	33.7	0	0	0	107.9
517	S	29.5	Very low	53.1	Low	85 Å²	85	79.5 Å²	79.5	59%	0.594	44%	0.435	S	S	*	.			trans	-47.6	130.2	169.8	-49.3	0	0	0	0	105.5	I515 L519	I515-S517 PolarHBondContact O-N 2.58Å; S517-L519 PolarHBondContact O-N 2.69Å
518	P	30.9	Very low	53.6	Low	106 Å²	106	80.3 Å²	80.3	69%	0.688	44%	0.439	S	S	*	.			trans	-51.2	111	-177.9	20.9	-32	0	0	0	106.6	K520	P518-K520 PolarHBondContact O-N 2.74Å; P518-K520 VanDerWaalsContact O-N 3.09Å
519	L	30.8	Very low	54.1	Low	116 Å²	116	77.4 Å²	77.4	61%	0.607	42%	0.42	S	S	*	.			trans	-51.7	124.2	-168.4	-73.4	163.5	0	0	0	106.2	S517 P521 P522	S517-L519 PolarHBondContact O-N 2.69Å; L519-P521 WeakPolarHBondContact O-CA 2.95Å; L519-P522 WeakPolarHBondContact O-CD 3.44Å
520	K	33.4	Very low	54.5	Low	201 Å²	201	78.5 Å²	78.5	87%	0.874	42%	0.422	S	S	*	.	S	Bend	trans	-32	109.6	-178.6	-90.3	-171.6	174.9	-178	0	107.5	P518 P522	P518-K520 PolarHBondContact O-N 2.74Å; P518-K520 VanDerWaalsContact O-N 3.09Å; K520-P522 VanDerWaalsContact O-CD 3.24Å; K520-P522 WeakPolarHBondContact O-CD 3.39Å
521	P	34.7	Very low	55.2	Low	95 Å²	95	76.9 Å²	76.9	62%	0.617	41%	0.414	S	S	*	.			trans	-51	110	-149.9	12.3	-28.6	0	0	0	109.2	L519	L519-P521 WeakPolarHBondContact O-CA 2.95Å
522	P	38.3	Very low	56.2	Low	73 Å²	73	75.4 Å²	75.4	47%	0.474	40%	0.404	S	S	.	.			trans	-61.4	164.6	168.6	-9.6	24.5	0	0	0	106.6	L519 K520 C524	L519-P522 WeakPolarHBondContact O-CD 3.44Å; K520-P522 VanDerWaalsContact O-CD 3.24Å; K520-P522 WeakPolarHBondContact O-CD 3.39Å; P522-C524 VanDerWaalsContact O-CB 3.26Å; P522-C524 WeakPolarHBondContact O-CB 3.47Å; P522-C524 PolarHBondContact O-N 3.34Å
523	D	45	Very low	57.4	Low	114 Å²	114	71.3 Å²	71.3	61%	0.61	39%	0.393	S	S	*	.			trans	-66.7	64.8	178.7	-83.3	-64.6	0	0	0	113.1	S525 R914	D523-S525 VanDerWaalsContact C-N 3.34Å; D523-S525 PolarHBondContact O-N 2.97Å; D523-S525 VanDerWaalsContact O-N 3.08Å; D523-R914 VanDerWaalsContact CB-NH1 3.34Å; D523-R914 PolarHBondContact O-NH1 3.41Å
524	C	50.8	Low	58.8	Low	49 Å²	49	70.1 Å²	70.1	33%	0.331	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	41.8	-149.9	-105.9	0	0	0	0	113.9	P522 L526 A618	P522-C524 VanDerWaalsContact O-CB 3.26Å; P522-C524 WeakPolarHBondContact O-CB 3.47Å; P522-C524 PolarHBondContact O-N 3.34Å; C524-L526 PolarHBondContact O-N 3.43Å; C524-L526 PolarHBondContact SG-O 3.47Å; C524-L526 VanDerWaalsContact SG-O 3.33Å; C524-A618 HydrophobicContact CB-CB 3.67Å; C524-A618 WeakPolarHBondContact O-CB 3.02Å
525	S	59.4	Low	60.7	Low	51 Å²	51	61.8 Å²	61.8	36%	0.357	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.3	151.6	59.2	0	0	0	0	112	D523	D523-S525 VanDerWaalsContact C-N 3.34Å; D523-S525 PolarHBondContact O-N 2.97Å; D523-S525 VanDerWaalsContact O-N 3.08Å
526	L	74.8	Confident	62.6	Low	68 Å²	68	62.3 Å²	62.3	36%	0.356	37%	0.371	S	S	.	.	S	Bend	trans	-126.8	144.8	178.6	-55.1	174.4	0	0	0	110.9	C524 P555 G556 P557	C524-L526 PolarHBondContact O-N 3.43Å; C524-L526 PolarHBondContact SG-O 3.47Å; C524-L526 VanDerWaalsContact SG-O 3.33Å; L526-P555 HydrophobicContact CB-CB 4.1Å; L526-P555 HydrophobicContact CD1-CB 4.39Å; L526-G556 WeakPolarHBondContact CA-O 3.49Å; L526-P557 HydrophobicContact CD2-CG 4.32Å
527	V	83.8	Confident	64.7	Low	7 Å²	7	58.7 Å²	58.7	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.4	178.8	-175.4	0	0	0	0	109.3	V529 P555 G556 A558 A618 V621 L641	V527-V529 HydrophobicContact CG1-CG2 4.23Å; V527-P555 WeakPolarHBondContact O-CA 3.42Å; V527-G556 PolarHBondContact N-O 3.28Å; V527-G556 PolarHBondContact O-N 2.81Å; V527-A558 HydrophobicContact CG2-CB 4.04Å; V527-A618 HydrophobicContact CG2-CB 3.41Å; V527-A618 VanDerWaalsContact CG2-CB 3.41Å; V527-V621 HydrophobicContact CG1-CB 4.41Å; V527-V621 HydrophobicContact CG1-CG1 4.09Å; V527-V621 HydrophobicContact CG1-CG2 4.44Å; V527-V621 HydrophobicContact CG2-CG2 4.36Å; V527-L641 HydrophobicContact CG1-CD2 3.51Å
528	T	88.8	Confident	66.6	Low	33 Å²	33	56.2 Å²	56.2	20%	0.202	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.8	171	-57.9	0	0	0	0	109.2	Y530 V552 L553 P555 L641	T528-Y530 HydrophobicContact CG2-CD2 4.37Å; T528-Y530 HydrophobicContact CG2-CE1 4.49Å; T528-Y530 HydrophobicContact CG2-CE2 3.76Å; T528-V552 HydrophobicContact CG2-CG1 3.38Å; T528-L553 WeakPolarHBondContact CA-O 3.47Å; T528-P555 VanDerWaalsContact OG1-CA 3.31Å; T528-P555 WeakPolarHBondContact OG1-CA 3.4Å; T528-L641 WeakPolarHBondContact O-CD2 3.32Å
529	V	90.4	Very high	68.5	Low	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123	178.3	-179	0	0	0	0	110.1	V527 L553 V561 L565 V621 L625 F639 S640 L641	V527-V529 HydrophobicContact CG1-CG2 4.23Å; V529-L553 HydrophobicContact CB-CB 4.36Å; V529-L553 PolarHBondContact N-O 2.76Å; V529-L553 PolarHBondContact O-N 2.79Å; V529-V561 HydrophobicContact CB-CG1 4.17Å; V529-V561 HydrophobicContact CG2-CG1 3.69Å; V529-L565 HydrophobicContact CG1-CD2 4.32Å; V529-V621 HydrophobicContact CG2-CG1 4.37Å; V529-L625 HydrophobicContact CB-CD1 4.41Å; V529-L625 HydrophobicContact CG1-CD1 3.71Å; V529-L625 HydrophobicContact CG1-CD2 3.76Å; V529-L625 HydrophobicContact CG1-CG 4.4Å; V529-L625 HydrophobicContact CG2-CD1 3.91Å; V529-L625 HydrophobicContact CG2-CD2 4.25Å; V529-F639 HydrophobicContact CG1-CB 4.36Å; V529-S640 WeakPolarHBondContact CA-O 3.27Å; V529-L641 HydrophobicContact CG2-CD2 4.11Å
530	Y	91	Very high	70.4	Confident	55 Å²	55	53.3 Å²	53.3	22%	0.216	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.1	176.8	-62.4	-93	0	0	0	110.3	T528 S551 V552 F639 S640 L641 S642 E643	T528-Y530 HydrophobicContact CG2-CD2 4.37Å; T528-Y530 HydrophobicContact CG2-CE1 4.49Å; T528-Y530 HydrophobicContact CG2-CE2 3.76Å; Y530-S551 CarbonylContact C-O 3.5Å; Y530-S551 WeakPolarHBondContact CA-O 3.24Å; Y530-V552 HydrophobicContact CD1-CB 4.45Å; Y530-V552 HydrophobicContact CD1-CG1 4.17Å; Y530-V552 HydrophobicContact CD1-CG2 3.78Å; Y530-V552 HydrophobicContact CE1-CB 4.43Å; Y530-V552 HydrophobicContact CE1-CG1 3.82Å; Y530-V552 HydrophobicContact CE1-CG2 3.79Å; Y530-F639 WeakPolarHBondContact O-CA 3.42Å; Y530-S640 PolarHBondContact N-O 2.69Å; Y530-S640 PolarHBondContact O-N 2.84Å; Y530-S640 VanDerWaalsContact O-N 3.12Å; Y530-L641 WeakPolarHBondContact CD2-O 3.44Å; Y530-L641 VanDerWaalsContact CE2-O 3.3Å; Y530-L641 WeakPolarHBondContact CE2-O 3.5Å; Y530-S642 VanDerWaalsContact CD2-C 3.43Å; Y530-E643 HydrophobicContact CD1-CB 3.5Å; Y530-E643 VanDerWaalsContact CD1-CB 3.5Å; Y530-E643 HydrophobicContact CD1-CG 3.83Å; Y530-E643 HydrophobicContact CE1-CB 3.68Å; Y530-E643 HydrophobicContact CE1-CG 4.22Å; Y530-E643 HydrophobicContact CG-CB 3.99Å
531	V	90.4	Very high	72.6	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	87.5	178.1	-176.4	0	0	0	0	107.6	V533 L546 S551 L553 T638 F639	V531-V533 VanDerWaalsContact C-N 3.3Å; V531-V533 HydrophobicContact CG1-CG1 4.12Å; V531-V533 PolarHBondContact O-N 3.02Å; V531-L546 HydrophobicContact CG1-CD1 4Å; V531-L546 HydrophobicContact CG1-CD2 3.96Å; V531-L546 HydrophobicContact CG1-CG 4.01Å; V531-S551 PolarHBondContact N-O 3.5Å; V531-L553 HydrophobicContact CG2-CD1 3.83Å; V531-L553 HydrophobicContact CG2-CG 4.02Å; V531-T638 CarbonylContact C-O 3.53Å; V531-T638 WeakPolarHBondContact CA-O 3.47Å; V531-F639 HydrophobicContact CB-CD1 4.43Å; V531-F639 HydrophobicContact CB-CE1 4.48Å; V531-F639 HydrophobicContact CG1-CD1 4.19Å; V531-F639 HydrophobicContact CG1-CE1 3.81Å; V531-F639 HydrophobicContact CG2-CD1 4.05Å; V531-F639 HydrophobicContact CG2-CE1 4.19Å
532	N	87.2	Confident	74.8	Confident	16 Å²	16	41 Å²	41	9%	0.086	26%	0.258	C	S	.	.			trans	-76.5	79.2	-173.2	-58.4	-63.1	0	0	0	110.9	G534 C535 S637 T638 S640 L644	N532-G534 PolarHBondContact O-N 3.37Å; N532-C535 VanDerWaalsContact O-CB 3.23Å; N532-C535 WeakPolarHBondContact O-CB 3.49Å; N532-C535 PolarHBondContact O-N 3.11Å; N532-S637 PolarHBondContact ND2-O 3.46Å; N532-T638 PolarHBondContact N-O 2.76Å; N532-S640 PolarHBondContact ND2-OG 2.85Å; N532-L644 HydrophobicContact CB-CB 4.38Å; N532-L644 HydrophobicContact CB-CD1 3.81Å; N532-L644 HydrophobicContact CB-CG 4.18Å; N532-L644 PolarHBondContact OD1-N 3.48Å
533	V	82.7	Confident	76.9	Confident	44 Å²	44	43 Å²	43	27%	0.267	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.5	-174.1	-66.7	0	0	0	0	115	V531 C535 R543 L546 Q547	V531-V533 VanDerWaalsContact C-N 3.3Å; V531-V533 HydrophobicContact CG1-CG1 4.12Å; V531-V533 PolarHBondContact O-N 3.02Å; V533-C535 VanDerWaalsContact C-N 3.33Å; V533-R543 PolarHBondContact O-NE 2.96Å; V533-R543 PolarHBondContact O-NH2 3.25Å; V533-L546 HydrophobicContact CG1-CD2 4.2Å; V533-L546 HydrophobicContact CG1-CG 4.24Å; V533-Q547 HydrophobicContact CB-CG 4.42Å; V533-Q547 HydrophobicContact CG1-CG 4.37Å
534	G	77.5	Confident	78.6	Confident	48 Å²	48	42 Å²	42	50%	0.495	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-29.9	170.6	0	0	0	0	0	113.6	N532 R543	N532-G534 PolarHBondContact O-N 3.37Å; G534-R543 PolarHBondContact O-NH2 3.2Å
535	C	81.5	Confident	80.1	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.02	25%	0.25	C	S	.	.	S	Bend	trans	-61	159.7	176.5	-75.4	0	0	0	0	112.9	N532 V533 L537 R543 C635 S637 L644	N532-C535 VanDerWaalsContact O-CB 3.23Å; N532-C535 WeakPolarHBondContact O-CB 3.49Å; N532-C535 PolarHBondContact O-N 3.11Å; V533-C535 VanDerWaalsContact C-N 3.33Å; C535-L537 WeakPolarHBondContact O-CG 3.43Å; C535-L537 PolarHBondContact O-N 3.27Å; C535-L537 VanDerWaalsContact O-N 3.08Å; C535-R543 PolarHBondContact O-NH2 3.17Å; C535-C635 HydrophobicContact CB-CB 4.06Å; C535-S637 PolarHBondContact SG-O 3.17Å; C535-L644 WeakPolarHBondContact SG-CD1 3.44Å
536	S	80.2	Confident	81.3	Confident	50 Å²	50	39.4 Å²	39.4	35%	0.35	23%	0.234	S	C	.	.			trans	-68.9	101.9	174.3	-71	0	0	0	0	111	G538 A634 C635 C653	S536-G538 PolarHBondContact O-N 3.06Å; S536-G538 VanDerWaalsContact O-N 3.16Å; S536-A634 CarbonylContact O-C 3.53Å; S536-A634 WeakPolarHBondContact O-CA 3.5Å; S536-C635 PolarHBondContact O-N 2.98Å; S536-C653 PolarHBondContact N-SG 3.06Å; S536-C653 VanDerWaalsContact N-SG 3.39Å; S536-C653 PolarHBondContact OG-O 3.28Å
537	L	76.8	Confident	81.8	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.068	24%	0.242	C	C	.	.			trans	-73.8	0	-171.6	-57	-178.7	0	0	0	115.7	C535 L541 R543 L546 T638	C535-L537 WeakPolarHBondContact O-CG 3.43Å; C535-L537 PolarHBondContact O-N 3.27Å; C535-L537 VanDerWaalsContact O-N 3.08Å; L537-L541 HydrophobicContact CB-CB 4.08Å; L537-L541 HydrophobicContact CB-CD1 4.26Å; L537-R543 HydrophobicContact CD1-CB 3.73Å; L537-R543 HydrophobicContact CD1-CG 3.8Å; L537-L546 HydrophobicContact CD1-CD2 3.75Å; L537-L546 HydrophobicContact CD2-CD2 3.8Å; L537-L546 HydrophobicContact CG-CD2 4.4Å; L537-T638 HydrophobicContact CD2-CG2 3.45Å; L537-T638 VanDerWaalsContact CD2-CG2 3.45Å
538	G	70	Confident	81.8	Confident	33 Å²	33	49.3 Å²	49.3	34%	0.34	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	-177.2	-178.6	0	0	0	0	0	114.6	S536 G633	S536-G538 PolarHBondContact O-N 3.06Å; S536-G538 VanDerWaalsContact O-N 3.16Å; G538-G633 WeakPolarHBondContact CA-O 3.33Å
539	P	71.6	Confident	81.7	Confident	97 Å²	97	51.6 Å²	51.6	63%	0.63	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.7	-176.3	33.5	-34.9	0	0	0	113.9
540	H	70.7	Confident	81.6	Confident	65 Å²	65	54.8 Å²	54.8	30%	0.301	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-33.1	-174.8	-69.9	-77.7	0	0	0	113.8	V573 L632	H540-V573 WeakPolarHBondContact O-CA 3.48Å; H540-V573 WeakPolarHBondContact O-CG2 3.45Å; H540-L632 HydrophobicContact CB-CD2 4.07Å; H540-L632 PolarHBondContact CD2-O 3.26Å
541	L	79.5	Confident	81.4	Confident	12 Å²	12	55.2 Å²	55.2	6%	0.063	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-89.9	128.5	-178.4	-67.8	171.1	0	0	0	112.3	L537 R543 L546 I569 V573 L632 A634 T638 F639	L537-L541 HydrophobicContact CB-CB 4.08Å; L537-L541 HydrophobicContact CB-CD1 4.26Å; L541-R543 PolarHBondContact O-N 3.06Å; L541-L546 HydrophobicContact CD1-CD2 4.34Å; L541-I569 HydrophobicContact CD2-CG2 4.38Å; L541-V573 HydrophobicContact CD2-CG2 3.95Å; L541-L632 HydrophobicContact CD1-CD1 4.18Å; L541-L632 HydrophobicContact CD2-CD1 4.21Å; L541-L632 HydrophobicContact CD2-CD2 4.27Å; L541-L632 HydrophobicContact CG-CD1 4.3Å; L541-L632 HydrophobicContact CG-CD2 4.33Å; L541-A634 HydrophobicContact CD1-CB 4.46Å; L541-T638 HydrophobicContact CD1-CG2 4.44Å; L541-F639 HydrophobicContact CD1-CE2 4.14Å; L541-F639 HydrophobicContact CD1-CZ 3.89Å
542	C	80.3	Confident	81.4	Confident	26 Å²	26	57.5 Å²	57.5	18%	0.176	33%	0.327	C	S	.	.			trans	-84.1	106.6	172.9	-169.7	0	0	0	0	110.8	T544 V545 L546 S572	C542-T544 VanDerWaalsContact C-N 3.29Å; C542-T544 PolarHBondContact O-N 3.05Å; C542-T544 PolarHBondContact SG-OG1 2.82Å; C542-V545 HydrophobicContact CB-CB 4.19Å; C542-V545 HydrophobicContact CB-CG2 4.02Å; C542-V545 PolarHBondContact O-N 3.09Å; C542-L546 PolarHBondContact O-N 2.66Å; C542-S572 VanDerWaalsContact CB-O 3.26Å; C542-S572 WeakPolarHBondContact CB-O 3.17Å; C542-S572 PolarHBondContact N-O 3.25Å
543	R	81.7	Confident	81.5	Confident	114 Å²	114	57.1 Å²	57.1	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-50.7	-44.6	-177.6	-174	170.3	-106.7	170.2	-2.7	113.1	V533 G534 C535 L537 L541 V545 L546 Q547	V533-R543 PolarHBondContact O-NE 2.96Å; V533-R543 PolarHBondContact O-NH2 3.25Å; G534-R543 PolarHBondContact O-NH2 3.2Å; C535-R543 PolarHBondContact O-NH2 3.17Å; L537-R543 HydrophobicContact CD1-CB 3.73Å; L537-R543 HydrophobicContact CD1-CG 3.8Å; L541-R543 PolarHBondContact O-N 3.06Å; R543-V545 PolarHBondContact O-N 2.78Å; R543-L546 PolarHBondContact O-N 2.96Å; R543-Q547 HydrophobicContact CG-CG 4.22Å; R543-Q547 WeakPolarHBondContact O-CB 3.17Å; R543-Q547 VanDerWaalsContact O-CG 3.29Å; R543-Q547 WeakPolarHBondContact O-CG 3.49Å; R543-Q547 PolarHBondContact O-N 3.14Å; R543-Q547 PolarHBondContact O-OE1 2.78Å
544	T	81.3	Confident	81.7	Confident	93 Å²	93	56.9 Å²	56.9	57%	0.571	33%	0.331	S	S	*	.	H	α-helix	trans	-73.1	-7.2	-179	55.2	0	0	0	0	114.7	C542 K548	C542-T544 VanDerWaalsContact C-N 3.29Å; C542-T544 PolarHBondContact O-N 3.05Å; C542-T544 PolarHBondContact SG-OG1 2.82Å; T544-K548 VanDerWaalsContact O-CE 3.31Å; T544-K548 WeakPolarHBondContact O-CE 3.42Å
545	V	82.8	Confident	82.1	Confident	43 Å²	43	59 Å²	59	26%	0.261	34%	0.336	S	S	.	.	H	α-helix	trans	-98.5	-43.7	168.3	-179.8	0	0	0	0	109.8	C542 R543 Q547 K548 Y549	C542-V545 HydrophobicContact CB-CB 4.19Å; C542-V545 HydrophobicContact CB-CG2 4.02Å; C542-V545 PolarHBondContact O-N 3.09Å; R543-V545 PolarHBondContact O-N 2.78Å; V545-Q547 VanDerWaalsContact C-N 3.31Å; V545-Q547 PolarHBondContact O-N 3Å; V545-K548 WeakPolarHBondContact O-CB 3.4Å; V545-K548 PolarHBondContact O-N 2.83Å; V545-Y549 HydrophobicContact CG1-CE2 4.09Å; V545-Y549 WeakPolarHBondContact O-CD2 3.3Å
546	L	84.6	Confident	82.2	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-40.7	178.5	-168.6	64.8	0	0	0	112.1	V531 V533 L537 L541 C542 R543 K548 Y549 I568	V531-L546 HydrophobicContact CG1-CD1 4Å; V531-L546 HydrophobicContact CG1-CD2 3.96Å; V531-L546 HydrophobicContact CG1-CG 4.01Å; V533-L546 HydrophobicContact CG1-CD2 4.2Å; V533-L546 HydrophobicContact CG1-CG 4.24Å; L537-L546 HydrophobicContact CD1-CD2 3.75Å; L537-L546 HydrophobicContact CD2-CD2 3.8Å; L537-L546 HydrophobicContact CG-CD2 4.4Å; L541-L546 HydrophobicContact CD1-CD2 4.34Å; C542-L546 PolarHBondContact O-N 2.66Å; R543-L546 PolarHBondContact O-N 2.96Å; L546-K548 PolarHBondContact O-N 3.42Å; L546-K548 VanDerWaalsContact O-N 3.09Å; L546-Y549 PolarHBondContact O-N 3Å; L546-Y549 VanDerWaalsContact O-N 3.13Å; L546-I568 HydrophobicContact CD1-CG2 3.48Å; L546-I568 VanDerWaalsContact CD1-CG2 3.48Å
547	Q	84.2	Confident	82.4	Confident	112 Å²	112	59.8 Å²	59.8	52%	0.523	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-5.4	175.4	-73.6	174.4	-49.5	0	0	115.1	V533 R543 V545	V533-Q547 HydrophobicContact CB-CG 4.42Å; V533-Q547 HydrophobicContact CG1-CG 4.37Å; R543-Q547 HydrophobicContact CG-CG 4.22Å; R543-Q547 WeakPolarHBondContact O-CB 3.17Å; R543-Q547 VanDerWaalsContact O-CG 3.29Å; R543-Q547 WeakPolarHBondContact O-CG 3.49Å; R543-Q547 PolarHBondContact O-N 3.14Å; R543-Q547 PolarHBondContact O-OE1 2.78Å; V545-Q547 VanDerWaalsContact C-N 3.31Å; V545-Q547 PolarHBondContact O-N 3Å
548	K	85.5	Confident	82.7	Confident	171 Å²	171	59.4 Å²	59.4	74%	0.743	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.2	174.3	-58.8	-173.6	177.9	-171.3	0	113.3	T544 V545 L546	T544-K548 VanDerWaalsContact O-CE 3.31Å; T544-K548 WeakPolarHBondContact O-CE 3.42Å; V545-K548 WeakPolarHBondContact O-CB 3.4Å; V545-K548 PolarHBondContact O-N 2.83Å; L546-K548 PolarHBondContact O-N 3.42Å; L546-K548 VanDerWaalsContact O-N 3.09Å
549	Y	87	Confident	83.3	Confident	82 Å²	82	58.3 Å²	58.3	32%	0.322	33%	0.329	S	S	.	.	S	Bend	trans	-107.7	158.9	177	-66	-77.2	0	0	0	110.4	V545 L546 S551 I568 A571	V545-Y549 HydrophobicContact CG1-CE2 4.09Å; V545-Y549 WeakPolarHBondContact O-CD2 3.3Å; L546-Y549 PolarHBondContact O-N 3Å; L546-Y549 VanDerWaalsContact O-N 3.13Å; Y549-S551 PolarHBondContact O-N 3.16Å; Y549-I568 HydrophobicContact CD1-CD1 4.32Å; Y549-I568 HydrophobicContact CD1-CG1 3.72Å; Y549-I568 HydrophobicContact CD2-CB 4.45Å; Y549-I568 HydrophobicContact CD2-CG1 4.28Å; Y549-I568 HydrophobicContact CD2-CG2 3.81Å; Y549-I568 HydrophobicContact CE1-CG1 4.28Å; Y549-I568 HydrophobicContact CE2-CG2 4.47Å; Y549-I568 HydrophobicContact CG-CB 4.36Å; Y549-I568 HydrophobicContact CG-CD1 4.2Å; Y549-I568 HydrophobicContact CG-CG1 3.72Å; Y549-I568 HydrophobicContact CG-CG2 3.95Å; Y549-A571 HydrophobicContact CE2-CB 4.2Å; Y549-A571 WeakPolarHBondContact OH-CB 3.49Å
550	P	87.3	Confident	83.9	Confident	67 Å²	67	61.3 Å²	61.3	44%	0.435	33%	0.331	S	S	.	.			trans	-57.7	139.9	178.1	-24.5	34.5	0	0	0	111.9	V552 L553	P550-V552 PolarHBondContact O-N 2.78Å; P550-L553 HydrophobicContact CB-CD2 4.23Å
551	S	87.1	Confident	84.8	Confident	63 Å²	63	58.7 Å²	58.7	44%	0.441	32%	0.32	S	S	.	.	S	Bend	trans	-72	-14.9	172.3	50.7	0	0	0	0	113	Y530 V531 Y549	Y530-S551 CarbonylContact C-O 3.5Å; Y530-S551 WeakPolarHBondContact CA-O 3.24Å; V531-S551 PolarHBondContact N-O 3.5Å; Y549-S551 PolarHBondContact O-N 3.16Å
552	V	90.4	Very high	85.3	Confident	54 Å²	54	58.1 Å²	58.1	33%	0.327	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.7	-179	-170.3	0	0	0	0	109.3	T528 Y530 P550	T528-V552 HydrophobicContact CG2-CG1 3.38Å; Y530-V552 HydrophobicContact CD1-CB 4.45Å; Y530-V552 HydrophobicContact CD1-CG1 4.17Å; Y530-V552 HydrophobicContact CD1-CG2 3.78Å; Y530-V552 HydrophobicContact CE1-CB 4.43Å; Y530-V552 HydrophobicContact CE1-CG1 3.82Å; Y530-V552 HydrophobicContact CE1-CG2 3.79Å; P550-V552 PolarHBondContact O-N 2.78Å
553	L	89.3	Confident	85.6	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.037	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	98.2	-176.8	-48.6	-178.7	0	0	0	109.3	T528 V529 V531 P550 V561 Y564 L565 I568	T528-L553 WeakPolarHBondContact CA-O 3.47Å; V529-L553 HydrophobicContact CB-CB 4.36Å; V529-L553 PolarHBondContact N-O 2.76Å; V529-L553 PolarHBondContact O-N 2.79Å; V531-L553 HydrophobicContact CG2-CD1 3.83Å; V531-L553 HydrophobicContact CG2-CG 4.02Å; P550-L553 HydrophobicContact CB-CD2 4.23Å; L553-V561 HydrophobicContact CB-CG1 4.1Å; L553-V561 WeakPolarHBondContact O-CG1 3.32Å; L553-Y564 HydrophobicContact CD2-CD1 3.96Å; L553-Y564 HydrophobicContact CD2-CE1 3.93Å; L553-L565 HydrophobicContact CD1-CB 3.88Å; L553-L565 HydrophobicContact CD1-CD1 3.74Å; L553-L565 HydrophobicContact CD1-CG 4.38Å; L553-I568 HydrophobicContact CD1-CD1 3.75Å; L553-I568 HydrophobicContact CD2-CD1 3.52Å; L553-I568 HydrophobicContact CG-CD1 4.3Å
554	G	86.4	Confident	85.9	Confident	40 Å²	40	57 Å²	57	41%	0.412	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.8	-168.6	-175.6	0	0	0	0	0	111.9
555	P	85.3	Confident	86.4	Confident	93 Å²	93	52.5 Å²	52.5	60%	0.604	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-66.5	138.5	-1.7	26.6	-34.3	0	0	0	112.6	L526 V527 T528	L526-P555 HydrophobicContact CB-CB 4.1Å; L526-P555 HydrophobicContact CD1-CB 4.39Å; V527-P555 WeakPolarHBondContact O-CA 3.42Å; T528-P555 VanDerWaalsContact OG1-CA 3.31Å; T528-P555 WeakPolarHBondContact OG1-CA 3.4Å
556	G	84.4	Confident	86.6	Confident	11 Å²	11	50.5 Å²	50.5	11%	0.113	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	164	178.3	0	0	0	0	0	113	L526 V527 A558 V561	L526-G556 WeakPolarHBondContact CA-O 3.49Å; V527-G556 PolarHBondContact N-O 3.28Å; V527-G556 PolarHBondContact O-N 2.81Å; G556-A558 PolarHBondContact O-N 3.5Å; G556-V561 WeakPolarHBondContact O-CG2 3.37Å
557	P	83.8	Confident	86.7	Confident	58 Å²	58	56.4 Å²	56.4	38%	0.377	30%	0.3	S	S	.	.			trans	-55.4	135.7	176.4	-26.1	35	0	0	0	111.6	L526 A559 K560 V561	L526-P557 HydrophobicContact CD2-CG 4.32Å; P557-A559 VanDerWaalsContact C-N 3.33Å; P557-A559 PolarHBondContact O-N 3.14Å; P557-A559 VanDerWaalsContact O-N 3.14Å; P557-K560 HydrophobicContact CG-CD 4.32Å; P557-K560 WeakPolarHBondContact O-CA 3.45Å; P557-K560 WeakPolarHBondContact O-CB 3.5Å; P557-K560 PolarHBondContact O-N 3.08Å; P557-V561 PolarHBondContact O-N 3.13Å; P557-V561 VanDerWaalsContact O-N 3.1Å
558	A	83.6	Confident	86.9	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-45.6	-52	-169.6	0	0	0	0	0	113.2	V527 G556 K560 V561 L562 D616 V621	V527-A558 HydrophobicContact CG2-CB 4.04Å; G556-A558 PolarHBondContact O-N 3.5Å; A558-K560 PolarHBondContact O-N 3.08Å; A558-V561 PolarHBondContact O-N 3.32Å; A558-L562 WeakPolarHBondContact O-CB 3.46Å; A558-L562 WeakPolarHBondContact O-CG 3.38Å; A558-L562 PolarHBondContact O-N 2.94Å; A558-D616 WeakPolarHBondContact CB-O 3.17Å; A558-V621 HydrophobicContact CB-CG2 3.79Å
559	A	82.4	Confident	87	Confident	10 Å²	10	43.1 Å²	43.1	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-38.7	178.5	0	0	0	0	0	114.1	P557 G563 K595 L597 V614 D616	P557-A559 VanDerWaalsContact C-N 3.33Å; P557-A559 PolarHBondContact O-N 3.14Å; P557-A559 VanDerWaalsContact O-N 3.14Å; A559-G563 PolarHBondContact O-N 3.08Å; A559-K595 HydrophobicContact CB-CB 4.25Å; A559-K595 HydrophobicContact CB-CD 3.95Å; A559-L597 HydrophobicContact CB-CD1 4.46Å; A559-L597 WeakPolarHBondContact O-CD1 3.26Å; A559-V614 HydrophobicContact CB-CG2 3.63Å; A559-D616 HydrophobicContact CB-CB 3.87Å
560	K	85	Confident	86.8	Confident	159 Å²	159	39.8 Å²	39.8	69%	0.691	23%	0.228	S	C	*	.	H	α-helix	trans	-66.1	-42.7	176.9	-75.8	-177.3	176.3	176.4	0	111.1	P557 A558 Y564	P557-K560 HydrophobicContact CG-CD 4.32Å; P557-K560 WeakPolarHBondContact O-CA 3.45Å; P557-K560 WeakPolarHBondContact O-CB 3.5Å; P557-K560 PolarHBondContact O-N 3.08Å; A558-K560 PolarHBondContact O-N 3.08Å; K560-Y564 PolarHBondContact O-N 3.3Å; K560-Y564 VanDerWaalsContact O-N 3.08Å
561	V	90.1	Very high	86.6	Confident	10 Å²	10	38.8 Å²	38.8	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-68.2	-46.9	-179.8	175.4	0	0	0	0	110.8	V529 L553 G556 P557 A558 Y564 L565	V529-V561 HydrophobicContact CB-CG1 4.17Å; V529-V561 HydrophobicContact CG2-CG1 3.69Å; L553-V561 HydrophobicContact CB-CG1 4.1Å; L553-V561 WeakPolarHBondContact O-CG1 3.32Å; G556-V561 WeakPolarHBondContact O-CG2 3.37Å; P557-V561 PolarHBondContact O-N 3.13Å; P557-V561 VanDerWaalsContact O-N 3.1Å; A558-V561 PolarHBondContact O-N 3.32Å; V561-Y564 PolarHBondContact O-N 3.25Å; V561-L565 WeakPolarHBondContact O-CB 3.28Å; V561-L565 PolarHBondContact O-N 3.17Å
562	L	88.9	Confident	86.4	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-38.9	175.7	-71	176.3	0	0	0	112.4	A558 Y564 L565 F566 V614 C615 V621 F624 L625	A558-L562 WeakPolarHBondContact O-CB 3.46Å; A558-L562 WeakPolarHBondContact O-CG 3.38Å; A558-L562 PolarHBondContact O-N 2.94Å; L562-Y564 VanDerWaalsContact C-N 3.31Å; L562-Y564 PolarHBondContact O-N 2.82Å; L562-L565 HydrophobicContact CD2-CD2 3.96Å; L562-L565 WeakPolarHBondContact O-CB 3.15Å; L562-L565 PolarHBondContact O-N 2.95Å; L562-F566 WeakPolarHBondContact O-CD2 3.47Å; L562-F566 PolarHBondContact O-N 3.11Å; L562-V614 HydrophobicContact CB-CB 4.18Å; L562-C615 HydrophobicContact CD1-CB 4.25Å; L562-C615 WeakPolarHBondContact CD1-O 3.24Å; L562-V621 HydrophobicContact CD1-CG1 4.47Å; L562-V621 HydrophobicContact CD1-CG2 4.17Å; L562-V621 HydrophobicContact CD2-CG1 4.2Å; L562-F624 HydrophobicContact CB-CE1 4.4Å; L562-F624 HydrophobicContact CD1-CD1 3.55Å; L562-F624 HydrophobicContact CD1-CE1 3.68Å; L562-F624 HydrophobicContact CD1-CG 4.14Å; L562-F624 HydrophobicContact CD1-CZ 4.4Å; L562-F624 HydrophobicContact CD2-CD1 3.65Å; L562-F624 HydrophobicContact CD2-CE1 3.9Å; L562-F624 HydrophobicContact CG-CD1 4.19Å; L562-F624 HydrophobicContact CG-CE1 4.21Å; L562-L625 HydrophobicContact CD2-CD2 3.79Å
563	G	86.7	Confident	85.8	Confident	12 Å²	12	33.8 Å²	33.8	12%	0.124	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-37.2	173.5	0	0	0	0	0	113.1	A559 K567	A559-G563 PolarHBondContact O-N 3.08Å; G563-K567 PolarHBondContact O-N 2.93Å; G563-K567 VanDerWaalsContact O-N 3.15Å
564	Y	88.6	Confident	84.8	Confident	103 Å²	103	41 Å²	41	40%	0.404	23%	0.226	S	C	.	.	H	α-helix	trans	-72.7	-39.5	173.7	-167.5	-99.7	0	0	0	112.2	L553 K560 V561 L562 F566 K567 I568	L553-Y564 HydrophobicContact CD2-CD1 3.96Å; L553-Y564 HydrophobicContact CD2-CE1 3.93Å; K560-Y564 PolarHBondContact O-N 3.3Å; K560-Y564 VanDerWaalsContact O-N 3.08Å; V561-Y564 PolarHBondContact O-N 3.25Å; L562-Y564 VanDerWaalsContact C-N 3.31Å; L562-Y564 PolarHBondContact O-N 2.82Å; Y564-F566 PolarHBondContact O-N 2.85Å; Y564-K567 WeakPolarHBondContact O-CB 3.48Å; Y564-K567 PolarHBondContact O-N 2.81Å; Y564-K567 VanDerWaalsContact O-N 3.16Å; Y564-I568 HydrophobicContact CD1-CD1 3.7Å; Y564-I568 HydrophobicContact CD1-CG1 4.36Å; Y564-I568 HydrophobicContact CE1-CD1 3.56Å; Y564-I568 HydrophobicContact CE1-CG1 4.21Å; Y564-I568 WeakPolarHBondContact O-CG1 3.06Å; Y564-I568 PolarHBondContact O-N 2.8Å
565	L	90.9	Very high	83.9	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-46.2	171.7	174.8	63.6	0	0	0	111.8	V529 L553 V561 L562 K567 I568 I569 L625 I628 F639	V529-L565 HydrophobicContact CG1-CD2 4.32Å; L553-L565 HydrophobicContact CD1-CB 3.88Å; L553-L565 HydrophobicContact CD1-CD1 3.74Å; L553-L565 HydrophobicContact CD1-CG 4.38Å; V561-L565 WeakPolarHBondContact O-CB 3.28Å; V561-L565 PolarHBondContact O-N 3.17Å; L562-L565 HydrophobicContact CD2-CD2 3.96Å; L562-L565 WeakPolarHBondContact O-CB 3.15Å; L562-L565 PolarHBondContact O-N 2.95Å; L565-K567 VanDerWaalsContact C-N 3.31Å; L565-K567 PolarHBondContact O-N 3.32Å; L565-I568 WeakPolarHBondContact O-CB 3.39Å; L565-I568 PolarHBondContact O-N 2.87Å; L565-I568 VanDerWaalsContact O-N 3.15Å; L565-I569 HydrophobicContact CD1-CD1 3.91Å; L565-I569 HydrophobicContact CD1-CG1 4.22Å; L565-I569 HydrophobicContact CD2-CD1 4.43Å; L565-I569 HydrophobicContact CG-CD1 3.76Å; L565-I569 HydrophobicContact CG-CG1 4.48Å; L565-I569 WeakPolarHBondContact O-CG1 3.15Å; L565-I569 PolarHBondContact O-N 2.92Å; L565-L625 HydrophobicContact CD2-CD2 3.36Å; L565-I628 HydrophobicContact CD2-CD1 4.14Å; L565-F639 HydrophobicContact CD1-CD1 3.59Å; L565-F639 HydrophobicContact CD1-CE1 3.61Å; L565-F639 HydrophobicContact CD1-CG 4.32Å; L565-F639 HydrophobicContact CD1-CZ 4.38Å
566	F	88	Confident	83.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-38.4	174.5	-80.7	-61.2	0	0	0	112.2	L562 Y564 I568 I569 L570 F583 F587 I599 L612 V614 F624 I628	L562-F566 WeakPolarHBondContact O-CD2 3.47Å; L562-F566 PolarHBondContact O-N 3.11Å; Y564-F566 PolarHBondContact O-N 2.85Å; F566-I568 VanDerWaalsContact C-N 3.32Å; F566-I568 PolarHBondContact O-N 3.09Å; F566-I569 PolarHBondContact O-N 3.03Å; F566-L570 WeakPolarHBondContact O-CB 3.36Å; F566-L570 VanDerWaalsContact O-CG 3.25Å; F566-L570 WeakPolarHBondContact O-CG 3.49Å; F566-L570 PolarHBondContact O-N 3.03Å; F566-F583 AromaticContact CD1-CD2 3.77Å; F566-F583 HydrophobicContact CD1-CD2 3.77Å; F566-F583 AromaticContact CD1-CE2 3.62Å; F566-F583 HydrophobicContact CD1-CE2 3.62Å; F566-F583 HydrophobicContact CD1-CZ 4.32Å; F566-F583 HydrophobicContact CE1-CB 4.48Å; F566-F583 HydrophobicContact CE1-CD1 4.22Å; F566-F583 AromaticContact CE1-CD2 3.45Å; F566-F583 HydrophobicContact CE1-CD2 3.45Å; F566-F583 VanDerWaalsContact CE1-CD2 3.45Å; F566-F583 HydrophobicContact CE1-CE1 4.25Å; F566-F583 AromaticContact CE1-CE2 3.49Å; F566-F583 HydrophobicContact CE1-CE2 3.49Å; F566-F583 VanDerWaalsContact CE1-CE2 3.49Å; F566-F583 AromaticContact CE1-CG 3.84Å; F566-F583 HydrophobicContact CE1-CG 3.84Å; F566-F583 AromaticContact CE1-CZ 3.89Å; F566-F583 HydrophobicContact CE1-CZ 3.89Å; F566-F587 HydrophobicContact CE1-CE2 4.13Å; F566-F587 HydrophobicContact CZ-CD2 4.04Å; F566-F587 AromaticContact CZ-CE2 3.72Å; F566-F587 HydrophobicContact CZ-CE2 3.72Å; F566-I599 HydrophobicContact CB-CD1 3.77Å; F566-L612 HydrophobicContact CB-CD1 3.98Å; F566-L612 HydrophobicContact CD1-CD1 4.06Å; F566-L612 HydrophobicContact CD2-CD1 4.45Å; F566-L612 HydrophobicContact CG-CD1 3.93Å; F566-V614 HydrophobicContact CD2-CG1 3.74Å; F566-V614 HydrophobicContact CE2-CB 4.36Å; F566-V614 HydrophobicContact CE2-CG1 3.59Å; F566-F624 AromaticContact CE2-CE1 3.5Å; F566-F624 HydrophobicContact CE2-CE1 3.5Å; F566-F624 AromaticContact CE2-CZ 3.64Å; F566-F624 HydrophobicContact CE2-CZ 3.64Å; F566-F624 AromaticContact CZ-CE1 3.58Å; F566-F624 HydrophobicContact CZ-CE1 3.58Å; F566-F624 AromaticContact CZ-CZ 3.68Å; F566-F624 HydrophobicContact CZ-CZ 3.68Å; F566-I628 HydrophobicContact CE1-CD1 3.91Å; F566-I628 HydrophobicContact CE1-CG1 4.2Å; F566-I628 HydrophobicContact CE2-CD1 4.33Å; F566-I628 HydrophobicContact CZ-CD1 3.69Å; F566-I628 HydrophobicContact CZ-CG1 4.17Å
567	K	85.3	Confident	82.4	Confident	127 Å²	127	41.8 Å²	41.8	55%	0.552	21%	0.207	S	C	*	.	H	α-helix	trans	-61	-40.4	174	-174	-179	177.7	-176	0	111.8	G563 Y564 L565 A571	G563-K567 PolarHBondContact O-N 2.93Å; G563-K567 VanDerWaalsContact O-N 3.15Å; Y564-K567 WeakPolarHBondContact O-CB 3.48Å; Y564-K567 PolarHBondContact O-N 2.81Å; Y564-K567 VanDerWaalsContact O-N 3.16Å; L565-K567 VanDerWaalsContact C-N 3.31Å; L565-K567 PolarHBondContact O-N 3.32Å; K567-A571 WeakPolarHBondContact O-CB 3.41Å; K567-A571 PolarHBondContact O-N 3.39Å; K567-A571 VanDerWaalsContact O-N 3.13Å
568	I	87.9	Confident	81.7	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-48.1	174	-68.6	168.8	0	0	0	111.3	L546 Y549 L553 Y564 L565 F566 A571 S572	L546-I568 HydrophobicContact CD1-CG2 3.48Å; L546-I568 VanDerWaalsContact CD1-CG2 3.48Å; Y549-I568 HydrophobicContact CD1-CD1 4.32Å; Y549-I568 HydrophobicContact CD1-CG1 3.72Å; Y549-I568 HydrophobicContact CD2-CB 4.45Å; Y549-I568 HydrophobicContact CD2-CG1 4.28Å; Y549-I568 HydrophobicContact CD2-CG2 3.81Å; Y549-I568 HydrophobicContact CE1-CG1 4.28Å; Y549-I568 HydrophobicContact CE2-CG2 4.47Å; Y549-I568 HydrophobicContact CG-CB 4.36Å; Y549-I568 HydrophobicContact CG-CD1 4.2Å; Y549-I568 HydrophobicContact CG-CG1 3.72Å; Y549-I568 HydrophobicContact CG-CG2 3.95Å; L553-I568 HydrophobicContact CD1-CD1 3.75Å; L553-I568 HydrophobicContact CD2-CD1 3.52Å; L553-I568 HydrophobicContact CG-CD1 4.3Å; Y564-I568 HydrophobicContact CD1-CD1 3.7Å; Y564-I568 HydrophobicContact CD1-CG1 4.36Å; Y564-I568 HydrophobicContact CE1-CD1 3.56Å; Y564-I568 HydrophobicContact CE1-CG1 4.21Å; Y564-I568 WeakPolarHBondContact O-CG1 3.06Å; Y564-I568 PolarHBondContact O-N 2.8Å; L565-I568 WeakPolarHBondContact O-CB 3.39Å; L565-I568 PolarHBondContact O-N 2.87Å; L565-I568 VanDerWaalsContact O-N 3.15Å; F566-I568 VanDerWaalsContact C-N 3.32Å; F566-I568 PolarHBondContact O-N 3.09Å; I568-A571 PolarHBondContact O-N 3.15Å; I568-S572 VanDerWaalsContact O-CB 3.29Å; I568-S572 WeakPolarHBondContact O-CB 3.37Å; I568-S572 PolarHBondContact O-N 3.34Å; I568-S572 PolarHBondContact O-OG 3.36Å
569	I	88.2	Confident	81.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-50.2	179.9	-70.2	164.3	0	0	0	110.4	L541 L565 F566 A571 S572 V573 L579 F583 I628 L632 F639	L541-I569 HydrophobicContact CD2-CG2 4.38Å; L565-I569 HydrophobicContact CD1-CD1 3.91Å; L565-I569 HydrophobicContact CD1-CG1 4.22Å; L565-I569 HydrophobicContact CD2-CD1 4.43Å; L565-I569 HydrophobicContact CG-CD1 3.76Å; L565-I569 HydrophobicContact CG-CG1 4.48Å; L565-I569 WeakPolarHBondContact O-CG1 3.15Å; L565-I569 PolarHBondContact O-N 2.92Å; F566-I569 PolarHBondContact O-N 3.03Å; I569-A571 VanDerWaalsContact C-N 3.29Å; I569-A571 PolarHBondContact O-N 3.22Å; I569-S572 CarbonylContact O-C 3.54Å; I569-S572 WeakPolarHBondContact O-CA 3.47Å; I569-S572 PolarHBondContact O-N 3.12Å; I569-V573 HydrophobicContact CG2-CG2 4.06Å; I569-V573 WeakPolarHBondContact O-CB 3.23Å; I569-V573 WeakPolarHBondContact O-CG2 3.49Å; I569-V573 PolarHBondContact O-N 3.33Å; I569-L579 HydrophobicContact CG2-CD2 3.88Å; I569-F583 HydrophobicContact CG2-CE2 4.12Å; I569-F583 HydrophobicContact CG2-CZ 4.13Å; I569-I628 HydrophobicContact CD1-CG2 3.57Å; I569-L632 HydrophobicContact CD1-CD1 4.08Å; I569-L632 HydrophobicContact CG1-CD1 4.23Å; I569-L632 HydrophobicContact CG2-CD1 3.93Å; I569-L632 HydrophobicContact CG2-CD2 3.92Å; I569-F639 HydrophobicContact CD1-CE2 4.29Å; I569-F639 HydrophobicContact CD1-CZ 4.17Å; I569-F639 HydrophobicContact CG1-CZ 3.99Å
570	L	83.9	Confident	80.8	Confident	13 Å²	13	41 Å²	41	7%	0.068	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-27.6	-178.4	-66.7	177.2	0	0	0	113.2	F566 P576 L579 C580 I599 A601 L612	F566-L570 WeakPolarHBondContact O-CB 3.36Å; F566-L570 VanDerWaalsContact O-CG 3.25Å; F566-L570 WeakPolarHBondContact O-CG 3.49Å; F566-L570 PolarHBondContact O-N 3.03Å; L570-P576 HydrophobicContact CB-CB 4.43Å; L570-P576 HydrophobicContact CD2-CB 3.75Å; L570-L579 HydrophobicContact CD2-CD2 4.36Å; L570-C580 VanDerWaalsContact CD2-SG 3.51Å; L570-I599 HydrophobicContact CD1-CG2 4.05Å; L570-A601 HydrophobicContact CD1-CB 4.22Å; L570-L612 HydrophobicContact CD1-CD1 3.89Å
571	A	82.7	Confident	80	Confident	45 Å²	45	41.9 Å²	41.9	37%	0.372	20%	0.199	S	C	.	.	H	α-helix	trans	-73.4	-32.5	168.7	0	0	0	0	0	112.6	Y549 K567 I568 I569	Y549-A571 HydrophobicContact CE2-CB 4.2Å; Y549-A571 WeakPolarHBondContact OH-CB 3.49Å; K567-A571 WeakPolarHBondContact O-CB 3.41Å; K567-A571 PolarHBondContact O-N 3.39Å; K567-A571 VanDerWaalsContact O-N 3.13Å; I568-A571 PolarHBondContact O-N 3.15Å; I569-A571 VanDerWaalsContact C-N 3.29Å; I569-A571 PolarHBondContact O-N 3.22Å
572	S	83.6	Confident	78.9	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-84.7	-9.7	-177.5	-56.9	0	0	0	0	114.5	C542 I568 I569	C542-S572 VanDerWaalsContact CB-O 3.26Å; C542-S572 WeakPolarHBondContact CB-O 3.17Å; C542-S572 PolarHBondContact N-O 3.25Å; I568-S572 VanDerWaalsContact O-CB 3.29Å; I568-S572 WeakPolarHBondContact O-CB 3.37Å; I568-S572 PolarHBondContact O-N 3.34Å; I568-S572 PolarHBondContact O-OG 3.36Å; I569-S572 CarbonylContact O-C 3.54Å; I569-S572 WeakPolarHBondContact O-CA 3.47Å; I569-S572 PolarHBondContact O-N 3.12Å
573	V	77.2	Confident	78.1	Confident	10 Å²	10	42.7 Å²	42.7	6%	0.061	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-104.5	125.7	-173.2	170.3	0	0	0	0	111.9	H540 L541 I569 R575 L579 L632	H540-V573 WeakPolarHBondContact O-CA 3.48Å; H540-V573 WeakPolarHBondContact O-CG2 3.45Å; L541-V573 HydrophobicContact CD2-CG2 3.95Å; I569-V573 HydrophobicContact CG2-CG2 4.06Å; I569-V573 WeakPolarHBondContact O-CB 3.23Å; I569-V573 WeakPolarHBondContact O-CG2 3.49Å; I569-V573 PolarHBondContact O-N 3.33Å; V573-R575 PolarHBondContact O-N 3.46Å; V573-L579 HydrophobicContact CB-CD2 4.25Å; V573-L579 HydrophobicContact CG1-CD2 4Å; V573-L579 HydrophobicContact CG2-CD2 3.81Å; V573-L632 HydrophobicContact CG2-CD2 3.94Å
574	H	67.9	Low	77.1	Confident	160 Å²	160	47 Å²	47	74%	0.741	22%	0.22	S	C	*	.	S	Bend	trans	-60.2	-15.2	-177.8	-76.5	-59.7	0	0	0	116
575	R	68.2	Low	75.9	Confident	123 Å²	123	44.8 Å²	44.8	46%	0.464	22%	0.223	S	C	.	.			trans	-146.7	88.1	177.5	-73.1	-179.8	168.9	164.8	-11.1	109.5	V573 P578 V685	V573-R575 PolarHBondContact O-N 3.46Å; R575-P578 HydrophobicContact CB-CG 4.39Å; R575-P578 WeakPolarHBondContact O-CD 3.35Å; R575-V685 VanDerWaalsContact NH1-CG1 3.33Å
576	P	70.9	Confident	74.4	Confident	16 Å²	16	46 Å²	46	10%	0.104	23%	0.231	C	C	.	.	H	α-helix	trans	-70.3	-37.3	-178.7	25.6	-33.3	0	0	0	112.8	L570 L579 C580 N602	L570-P576 HydrophobicContact CB-CB 4.43Å; L570-P576 HydrophobicContact CD2-CB 3.75Å; P576-L579 CarbonylContact O-C 3.47Å; P576-L579 WeakPolarHBondContact O-CA 3.41Å; P576-L579 WeakPolarHBondContact O-CB 3.32Å; P576-L579 PolarHBondContact O-N 3.06Å; P576-C580 PolarHBondContact O-N 3.11Å; P576-C580 PolarHBondContact O-SG 2.87Å; P576-C580 VanDerWaalsContact O-SG 3.33Å; P576-N602 WeakPolarHBondContact CG-O 3.34Å
577	A	66.2	Low	73.2	Confident	21 Å²	21	46 Å²	46	17%	0.174	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-37.5	-171.5	0	0	0	0	0	116.7	R581 Y603	A577-R581 PolarHBondContact O-NE 3.27Å; A577-Y603 HydrophobicContact CB-CD1 3.66Å; A577-Y603 HydrophobicContact CB-CE1 3.34Å; A577-Y603 HydrophobicContact CB-CG 4.43Å
578	P	69	Low	71.7	Confident	43 Å²	43	42.6 Å²	42.6	28%	0.279	22%	0.223	S	C	.	.	H	α-helix	trans	-68.5	-38.1	169.3	-20.7	34.2	0	0	0	112.8	R575 R581 A582	R575-P578 HydrophobicContact CB-CG 4.39Å; R575-P578 WeakPolarHBondContact O-CD 3.35Å; P578-R581 PolarHBondContact O-N 3.24Å; P578-A582 PolarHBondContact O-N 3.35Å
579	L	75	Confident	69.7	Low	11 Å²	11	47 Å²	47	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-41.1	-178.4	-176.8	67.7	0	0	0	111.8	I569 L570 V573 P576 R581 A582 F583 L632	I569-L579 HydrophobicContact CG2-CD2 3.88Å; L570-L579 HydrophobicContact CD2-CD2 4.36Å; V573-L579 HydrophobicContact CB-CD2 4.25Å; V573-L579 HydrophobicContact CG1-CD2 4Å; V573-L579 HydrophobicContact CG2-CD2 3.81Å; P576-L579 CarbonylContact O-C 3.47Å; P576-L579 WeakPolarHBondContact O-CA 3.41Å; P576-L579 WeakPolarHBondContact O-CB 3.32Å; P576-L579 PolarHBondContact O-N 3.06Å; L579-R581 VanDerWaalsContact C-N 3.27Å; L579-R581 PolarHBondContact O-N 2.99Å; L579-A582 WeakPolarHBondContact O-CB 3.37Å; L579-A582 PolarHBondContact O-N 3.14Å; L579-A582 VanDerWaalsContact O-N 3.14Å; L579-F583 HydrophobicContact CD1-CD1 4.26Å; L579-F583 HydrophobicContact CD1-CD2 4.48Å; L579-F583 HydrophobicContact CD1-CE1 3.75Å; L579-F583 HydrophobicContact CD1-CE2 3.99Å; L579-F583 HydrophobicContact CD1-CZ 3.6Å; L579-F583 HydrophobicContact CD2-CD2 4.5Å; L579-F583 HydrophobicContact CD2-CE2 3.62Å; L579-F583 HydrophobicContact CD2-CZ 3.75Å; L579-F583 HydrophobicContact CG-CD2 3.93Å; L579-F583 HydrophobicContact CG-CE1 4.18Å; L579-F583 HydrophobicContact CG-CE2 3.47Å; L579-F583 VanDerWaalsContact CG-CE2 3.47Å; L579-F583 HydrophobicContact CG-CG 4.47Å; L579-F583 HydrophobicContact CG-CZ 3.63Å; L579-F583 WeakPolarHBondContact O-CG 3.2Å; L579-F583 PolarHBondContact O-N 2.81Å; L579-L632 HydrophobicContact CD1-CD2 4.04Å; L579-L632 HydrophobicContact CD2-CD2 3.61Å; L579-L632 HydrophobicContact CG-CD2 4.49Å
580	C	72.5	Confident	67.8	Low	2 Å²	2	49.2 Å²	49.2	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-54.7	-43.2	172	-67.1	0	0	0	0	112.2	L570 P576 F583 Y584 V610	L570-C580 VanDerWaalsContact CD2-SG 3.51Å; P576-C580 PolarHBondContact O-N 3.11Å; P576-C580 PolarHBondContact O-SG 2.87Å; P576-C580 VanDerWaalsContact O-SG 3.33Å; C580-F583 PolarHBondContact O-N 3.16Å; C580-Y584 WeakPolarHBondContact O-CB 3.47Å; C580-Y584 PolarHBondContact O-N 3.49Å; C580-V610 HydrophobicContact CB-CG1 3.78Å
581	R	67.5	Low	66.2	Low	177 Å²	177	49.3 Å²	49.3	67%	0.668	26%	0.255	S	S	*	.	H	α-helix	trans	-68.2	-38.7	177.3	-72.4	-175.5	-71.8	-176.8	1.5	112.1	A577 P578 L579 A585	A577-R581 PolarHBondContact O-NE 3.27Å; P578-R581 PolarHBondContact O-N 3.24Å; L579-R581 VanDerWaalsContact C-N 3.27Å; L579-R581 PolarHBondContact O-N 2.99Å; R581-A585 VanDerWaalsContact O-CB 3.24Å; R581-A585 WeakPolarHBondContact O-CB 3.35Å; R581-A585 PolarHBondContact O-N 3.5Å
582	A	67.5	Low	64.4	Low	29 Å²	29	51.6 Å²	51.6	24%	0.24	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-44.2	173.2	0	0	0	0	0	112.1	P578 L579 S586	P578-A582 PolarHBondContact O-N 3.35Å; L579-A582 WeakPolarHBondContact O-CB 3.37Å; L579-A582 PolarHBondContact O-N 3.14Å; L579-A582 VanDerWaalsContact O-N 3.14Å; A582-S586 VanDerWaalsContact O-CB 3.26Å; A582-S586 WeakPolarHBondContact O-CB 3.19Å; A582-S586 PolarHBondContact O-N 3.42Å; A582-S586 PolarHBondContact O-OG 3.23Å
583	F	72.6	Confident	63.1	Low	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-48	176.2	-69.4	-28.2	0	0	0	112.3	F566 I569 L579 C580 S586 F587 L612 I628 L631 L632	F566-F583 AromaticContact CD1-CD2 3.77Å; F566-F583 HydrophobicContact CD1-CD2 3.77Å; F566-F583 AromaticContact CD1-CE2 3.62Å; F566-F583 HydrophobicContact CD1-CE2 3.62Å; F566-F583 HydrophobicContact CD1-CZ 4.32Å; F566-F583 HydrophobicContact CE1-CB 4.48Å; F566-F583 HydrophobicContact CE1-CD1 4.22Å; F566-F583 AromaticContact CE1-CD2 3.45Å; F566-F583 HydrophobicContact CE1-CD2 3.45Å; F566-F583 VanDerWaalsContact CE1-CD2 3.45Å; F566-F583 HydrophobicContact CE1-CE1 4.25Å; F566-F583 AromaticContact CE1-CE2 3.49Å; F566-F583 HydrophobicContact CE1-CE2 3.49Å; F566-F583 VanDerWaalsContact CE1-CE2 3.49Å; F566-F583 AromaticContact CE1-CG 3.84Å; F566-F583 HydrophobicContact CE1-CG 3.84Å; F566-F583 AromaticContact CE1-CZ 3.89Å; F566-F583 HydrophobicContact CE1-CZ 3.89Å; I569-F583 HydrophobicContact CG2-CE2 4.12Å; I569-F583 HydrophobicContact CG2-CZ 4.13Å; L579-F583 HydrophobicContact CD1-CD1 4.26Å; L579-F583 HydrophobicContact CD1-CD2 4.48Å; L579-F583 HydrophobicContact CD1-CE1 3.75Å; L579-F583 HydrophobicContact CD1-CE2 3.99Å; L579-F583 HydrophobicContact CD1-CZ 3.6Å; L579-F583 HydrophobicContact CD2-CD2 4.5Å; L579-F583 HydrophobicContact CD2-CE2 3.62Å; L579-F583 HydrophobicContact CD2-CZ 3.75Å; L579-F583 HydrophobicContact CG-CD2 3.93Å; L579-F583 HydrophobicContact CG-CE1 4.18Å; L579-F583 HydrophobicContact CG-CE2 3.47Å; L579-F583 VanDerWaalsContact CG-CE2 3.47Å; L579-F583 HydrophobicContact CG-CG 4.47Å; L579-F583 HydrophobicContact CG-CZ 3.63Å; L579-F583 WeakPolarHBondContact O-CG 3.2Å; L579-F583 PolarHBondContact O-N 2.81Å; C580-F583 PolarHBondContact O-N 3.16Å; F583-S586 PolarHBondContact O-N 2.84Å; F583-F587 HydrophobicContact CB-CD2 3.97Å; F583-F587 HydrophobicContact CB-CE2 3.88Å; F583-F587 HydrophobicContact CD1-CD2 4.43Å; F583-F587 AromaticContact CD1-CE2 3.5Å; F583-F587 HydrophobicContact CD1-CE2 3.5Å; F583-F587 HydrophobicContact CD1-CZ 4.18Å; F583-F587 HydrophobicContact CE1-CE2 4.24Å; F583-F587 HydrophobicContact CG-CD2 4.48Å; F583-F587 AromaticContact CG-CE2 3.91Å; F583-F587 HydrophobicContact CG-CE2 3.91Å; F583-F587 VanDerWaalsContact O-CD2 3.23Å; F583-F587 WeakPolarHBondContact O-CD2 2.97Å; F583-F587 PolarHBondContact O-N 3.15Å; F583-L612 HydrophobicContact CB-CD2 3.61Å; F583-L612 HydrophobicContact CD2-CD2 4.19Å; F583-L612 HydrophobicContact CG-CD2 4.41Å; F583-I628 HydrophobicContact CE1-CG1 4.48Å; F583-L631 HydrophobicContact CD1-CB 4.48Å; F583-L631 HydrophobicContact CD1-CD1 3.85Å; F583-L631 HydrophobicContact CE1-CB 4.03Å; F583-L631 HydrophobicContact CE1-CD1 4.15Å; F583-L632 HydrophobicContact CZ-CG 4.46Å
584	Y	66.4	Low	62.5	Low	103 Å²	103	55.3 Å²	55.3	40%	0.404	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-47.1	178	-173.5	-86	0	0	0	112	C580 S586 S588 E611 V613	C580-Y584 WeakPolarHBondContact O-CB 3.47Å; C580-Y584 PolarHBondContact O-N 3.49Å; Y584-S586 PolarHBondContact O-N 3.42Å; Y584-S588 WeakPolarHBondContact O-CB 3.43Å; Y584-S588 PolarHBondContact O-N 3.06Å; Y584-S588 PolarHBondContact O-OG 2.94Å; Y584-E611 WeakPolarHBondContact CD2-O 3.04Å; Y584-V613 HydrophobicContact CD2-CG2 4.29Å; Y584-V613 HydrophobicContact CE2-CG2 4.25Å
585	A	61.8	Low	62.6	Low	56 Å²	56	51.7 Å²	51.7	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-66.3	-21.9	177.7	0	0	0	0	0	113.5	R581 Q589	R581-A585 VanDerWaalsContact O-CB 3.24Å; R581-A585 WeakPolarHBondContact O-CB 3.35Å; R581-A585 PolarHBondContact O-N 3.5Å; A585-Q589 PolarHBondContact O-NE2 2.84Å
586	S	60.3	Low	62.9	Low	24 Å²	24	49.4 Å²	49.4	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-83.4	-68.1	174.5	-59.4	0	0	0	0	111.2	A582 F583 Y584 S588 Q589 F590	A582-S586 VanDerWaalsContact O-CB 3.26Å; A582-S586 WeakPolarHBondContact O-CB 3.19Å; A582-S586 PolarHBondContact O-N 3.42Å; A582-S586 PolarHBondContact O-OG 3.23Å; F583-S586 PolarHBondContact O-N 2.84Å; Y584-S586 PolarHBondContact O-N 3.42Å; S586-S588 VanDerWaalsContact C-N 3.31Å; S586-S588 PolarHBondContact O-N 2.66Å; S586-Q589 PolarHBondContact O-N 3.38Å; S586-F590 WeakPolarHBondContact O-CD2 3.46Å; S586-F590 WeakPolarHBondContact O-CE2 3.38Å
587	F	63.5	Low	63.1	Low	2 Å²	2	50.5 Å²	50.5	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-72.7	-19.1	-163	-59	-53.5	0	0	0	114.8	F566 F583 Q589 F590 N594 V613 F624 H627 I628 L631	F566-F587 HydrophobicContact CE1-CE2 4.13Å; F566-F587 HydrophobicContact CZ-CD2 4.04Å; F566-F587 AromaticContact CZ-CE2 3.72Å; F566-F587 HydrophobicContact CZ-CE2 3.72Å; F583-F587 HydrophobicContact CB-CD2 3.97Å; F583-F587 HydrophobicContact CB-CE2 3.88Å; F583-F587 HydrophobicContact CD1-CD2 4.43Å; F583-F587 AromaticContact CD1-CE2 3.5Å; F583-F587 HydrophobicContact CD1-CE2 3.5Å; F583-F587 HydrophobicContact CD1-CZ 4.18Å; F583-F587 HydrophobicContact CE1-CE2 4.24Å; F583-F587 HydrophobicContact CG-CD2 4.48Å; F583-F587 AromaticContact CG-CE2 3.91Å; F583-F587 HydrophobicContact CG-CE2 3.91Å; F583-F587 VanDerWaalsContact O-CD2 3.23Å; F583-F587 WeakPolarHBondContact O-CD2 2.97Å; F583-F587 PolarHBondContact O-N 3.15Å; F587-Q589 PolarHBondContact O-N 3.17Å; F587-F590 HydrophobicContact CD1-CD2 4.25Å; F587-F590 PolarHBondContact O-N 2.87Å; F587-N594 PolarHBondContact O-ND2 3.03Å; F587-N594 VanDerWaalsContact O-ND2 3.17Å; F587-V613 HydrophobicContact CB-CB 4.17Å; F587-V613 HydrophobicContact CB-CG1 4.22Å; F587-F624 HydrophobicContact CB-CE2 3.86Å; F587-F624 HydrophobicContact CB-CZ 4.37Å; F587-F624 AromaticContact CD1-CD2 3.76Å; F587-F624 HydrophobicContact CD1-CD2 3.76Å; F587-F624 AromaticContact CD1-CE2 3.41Å; F587-F624 HydrophobicContact CD1-CE2 3.41Å; F587-F624 VanDerWaalsContact CD1-CE2 3.41Å; F587-F624 HydrophobicContact CD1-CZ 4.01Å; F587-F624 HydrophobicContact CD2-CE2 4.04Å; F587-F624 AromaticContact CD2-CZ 3.87Å; F587-F624 HydrophobicContact CD2-CZ 3.87Å; F587-F624 HydrophobicContact CE1-CD2 4.05Å; F587-F624 AromaticContact CE1-CE2 3.95Å; F587-F624 HydrophobicContact CE1-CE2 3.95Å; F587-F624 HydrophobicContact CE1-CG 4.49Å; F587-F624 HydrophobicContact CE1-CZ 4.3Å; F587-F624 HydrophobicContact CE2-CZ 4.15Å; F587-F624 HydrophobicContact CG-CD2 4.31Å; F587-F624 AromaticContact CG-CE2 3.49Å; F587-F624 HydrophobicContact CG-CE2 3.49Å; F587-F624 VanDerWaalsContact CG-CE2 3.49Å; F587-F624 AromaticContact CG-CZ 3.82Å; F587-F624 HydrophobicContact CG-CZ 3.82Å; F587-F624 HydrophobicContact CZ-CE2 4.48Å; F587-F624 HydrophobicContact CZ-CZ 4.38Å; F587-H627 HydrophobicContact CE1-CB 3.89Å; F587-H627 HydrophobicContact CZ-CB 4.43Å; F587-I628 HydrophobicContact CE2-CG1 4.1Å; F587-I628 HydrophobicContact CZ-CG1 3.64Å; F587-L631 HydrophobicContact CE2-CD1 4.44Å; F587-L631 HydrophobicContact CZ-CD1 4Å
588	S	52	Low	63.6	Low	54 Å²	54	53.9 Å²	53.9	38%	0.378	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-11.6	168	52.3	0	0	0	0	114.2	Y584 S586	Y584-S588 WeakPolarHBondContact O-CB 3.43Å; Y584-S588 PolarHBondContact O-N 3.06Å; Y584-S588 PolarHBondContact O-OG 2.94Å; S586-S588 VanDerWaalsContact C-N 3.31Å; S586-S588 PolarHBondContact O-N 2.66Å
589	Q	47.5	Very low	63.8	Low	96 Å²	96	52.6 Å²	52.6	45%	0.449	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-1.8	-176.1	-56.4	-175.8	70.7	0	0	114.5	A585 S586 F587	A585-Q589 PolarHBondContact O-NE2 2.84Å; S586-Q589 PolarHBondContact O-N 3.38Å; F587-Q589 PolarHBondContact O-N 3.17Å
590	F	48	Very low	63.6	Low	47 Å²	47	58.9 Å²	58.9	21%	0.206	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-9.7	-165.2	-67.7	-49.4	0	0	0	117.2	A444 S586 F587	A444-F590 WeakPolarHBondContact O-CE1 3.38Å; S586-F590 WeakPolarHBondContact O-CD2 3.46Å; S586-F590 WeakPolarHBondContact O-CE2 3.38Å; F587-F590 HydrophobicContact CD1-CD2 4.25Å; F587-F590 PolarHBondContact O-N 2.87Å
591	C	50.6	Low	63.4	Low	15 Å²	15	58.9 Å²	58.9	10%	0.101	31%	0.313	C	S	.	.			trans	-137.2	140.5	176.4	-60	0	0	0	0	110.5	S593 N594 C615	C591-S593 WeakPolarHBondContact CB-O 3.49Å; C591-N594 VanDerWaalsContact O-CG 3.28Å; C591-N594 PolarHBondContact O-ND2 3.38Å; C591-C615 HydrophobicContact CB-CB 4.42Å
592	P	45.2	Very low	63.3	Low	93 Å²	93	55.2 Å²	55.2	60%	0.604	31%	0.307	S	S	*	.	S	Bend	trans	-78.8	-36.1	178.1	30.5	-35.2	0	0	0	111.1
593	S	54.4	Low	63.1	Low	40 Å²	40	57 Å²	57	28%	0.28	31%	0.308	S	S	.	.	S	Bend	trans	-93.5	113.8	167.1	77.7	0	0	0	0	108.3	C591 D616	C591-S593 WeakPolarHBondContact CB-O 3.49Å; S593-D616 WeakPolarHBondContact CB-OD1 3.47Å; S593-D616 PolarHBondContact OG-OD1 3.35Å
594	N	66.6	Low	62.5	Low	49 Å²	49	62.7 Å²	62.7	26%	0.262	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	101.2	-163.5	-116.5	-10.2	0	0	0	109.3	F587 C591 V613	F587-N594 PolarHBondContact O-ND2 3.03Å; F587-N594 VanDerWaalsContact O-ND2 3.17Å; C591-N594 VanDerWaalsContact O-CG 3.28Å; C591-N594 PolarHBondContact O-ND2 3.38Å; N594-V613 HydrophobicContact CB-CG1 3.98Å; N594-V613 WeakPolarHBondContact ND2-CG1 3.39Å; N594-V613 WeakPolarHBondContact OD1-CG1 3.19Å
595	K	69.6	Low	62.3	Low	85 Å²	85	63.1 Å²	63.1	37%	0.37	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.6	-178.5	-160.3	164.3	-153	107.6	0	110.5	A559 L597 V614 D616	A559-K595 HydrophobicContact CB-CB 4.25Å; A559-K595 HydrophobicContact CB-CD 3.95Å; K595-L597 HydrophobicContact CD-CD2 4.45Å; K595-L597 HydrophobicContact CG-CD2 4.21Å; K595-L597 PolarHBondContact O-N 3.29Å; K595-V614 HydrophobicContact CB-CG2 4.32Å; K595-V614 PolarHBondContact N-O 3.26Å; K595-V614 PolarHBondContact O-N 3.36Å; K595-D616 HydrophobicContact CB-CB 4.06Å; K595-D616 HydrophobicContact CD-CB 4.5Å
596	V	73.8	Confident	62.7	Low	75 Å²	75	62.4 Å²	62.4	46%	0.455	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	118.1	171.8	-175.5	0	0	0	0	109.1	E611	V596-E611 HydrophobicContact CG1-CB 3.66Å; V596-E611 HydrophobicContact CG1-CG 3.81Å
597	L	74.5	Confident	63.1	Low	39 Å²	39	67.5 Å²	67.5	20%	0.204	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.3	176.2	-67.4	-173.5	0	0	0	111.7	A559 K595 I599 L612 V614	A559-L597 HydrophobicContact CB-CD1 4.46Å; A559-L597 WeakPolarHBondContact O-CD1 3.26Å; K595-L597 HydrophobicContact CD-CD2 4.45Å; K595-L597 HydrophobicContact CG-CD2 4.21Å; K595-L597 PolarHBondContact O-N 3.29Å; L597-I599 HydrophobicContact CB-CD1 4.42Å; L597-I599 HydrophobicContact CB-CG1 4.32Å; L597-I599 PolarHBondContact O-N 3.24Å; L597-L612 PolarHBondContact N-O 3.17Å; L597-L612 PolarHBondContact O-N 2.83Å; L597-V614 HydrophobicContact CB-CG1 4.47Å; L597-V614 HydrophobicContact CD1-CB 4.49Å; L597-V614 HydrophobicContact CD1-CG1 4Å; L597-V614 HydrophobicContact CD1-CG2 3.6Å; L597-V614 HydrophobicContact CG-CG1 4.31Å; L597-V614 HydrophobicContact CG-CG2 3.9Å
598	P	77.2	Confident	63.4	Low	91 Å²	91	73.1 Å²	73.1	59%	0.591	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	105.4	174.1	28.8	-32.6	0	0	0	111	L609	P598-L609 HydrophobicContact CB-CD2 4Å
599	I	73.1	Confident	64.3	Low	16 Å²	16	76.2 Å²	76.2	8%	0.082	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128	-177.6	-64.3	-179.3	0	0	0	110.2	F566 L570 L597 A601 V610 L612	F566-I599 HydrophobicContact CB-CD1 3.77Å; L570-I599 HydrophobicContact CD1-CG2 4.05Å; L597-I599 HydrophobicContact CB-CD1 4.42Å; L597-I599 HydrophobicContact CB-CG1 4.32Å; L597-I599 PolarHBondContact O-N 3.24Å; I599-A601 PolarHBondContact O-N 3.16Å; I599-V610 PolarHBondContact N-O 3.47Å; I599-V610 PolarHBondContact O-N 3.44Å; I599-L612 HydrophobicContact CB-CD1 4.4Å; I599-L612 HydrophobicContact CD1-CB 4.32Å; I599-L612 HydrophobicContact CD1-CD1 3.96Å
600	K	71.9	Confident	65.3	Low	143 Å²	143	72.3 Å²	72.3	62%	0.622	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.9	175.5	-67.2	-175.4	179.3	-176.4	0	110.3	L609	K600-L609 HydrophobicContact CG-CD2 3.85Å; K600-L609 HydrophobicContact CG-CG 4.27Å
601	A	67.3	Low	66.5	Low	2 Å²	2	75.8 Å²	75.8	2%	0.017	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.8	176.3	0	0	0	0	0	111.5	L570 I599 Y603 Q607 R608 V610	L570-A601 HydrophobicContact CD1-CB 4.22Å; I599-A601 PolarHBondContact O-N 3.16Å; A601-Y603 HydrophobicContact CB-CD2 4.42Å; A601-Y603 HydrophobicContact CB-CE2 4.03Å; A601-Y603 PolarHBondContact O-N 3.46Å; A601-Q607 WeakPolarHBondContact O-CA 3.39Å; A601-R608 PolarHBondContact N-O 3.38Å; A601-R608 PolarHBondContact O-N 3.37Å; A601-V610 HydrophobicContact CB-CG2 3.76Å
602	N	65.5	Low	67.5	Low	101 Å²	101	75.1 Å²	75.1	54%	0.54	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	108.5	178.9	-65.4	-28.2	0	0	0	110.4	P576 Q607	P576-N602 WeakPolarHBondContact CG-O 3.34Å; N602-Q607 WeakPolarHBondContact OD1-CG 3.46Å; N602-Q607 PolarHBondContact OD1-NE2 3.34Å
603	Y	62.9	Low	68.8	Low	66 Å²	66	71.1 Å²	71.1	26%	0.259	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	165.2	170.6	-75.1	-116.5	0	0	0	110.1	A577 A601 N605 G606 R608 V610	A577-Y603 HydrophobicContact CB-CD1 3.66Å; A577-Y603 HydrophobicContact CB-CE1 3.34Å; A577-Y603 HydrophobicContact CB-CG 4.43Å; A601-Y603 HydrophobicContact CB-CD2 4.42Å; A601-Y603 HydrophobicContact CB-CE2 4.03Å; A601-Y603 PolarHBondContact O-N 3.46Å; Y603-N605 WeakPolarHBondContact CB-OD1 3.5Å; Y603-N605 PolarHBondContact O-N 3.05Å; Y603-N605 VanDerWaalsContact O-N 3.12Å; Y603-G606 CarbonylContact C-O 3.51Å; Y603-G606 WeakPolarHBondContact CA-O 3.28Å; Y603-G606 WeakPolarHBondContact CB-O 3.4Å; Y603-G606 PolarHBondContact N-O 2.98Å; Y603-G606 PolarHBondContact O-N 3.08Å; Y603-R608 HydrophobicContact CD2-CB 3.73Å; Y603-R608 HydrophobicContact CD2-CG 3.97Å; Y603-R608 HydrophobicContact CE2-CB 3.83Å; Y603-R608 HydrophobicContact CE2-CG 4.43Å; Y603-R608 HydrophobicContact CG-CB 4.43Å; Y603-R608 HydrophobicContact CG-CG 4.18Å; Y603-V610 HydrophobicContact CE2-CG2 3.66Å; Y603-V610 WeakPolarHBondContact OH-CG2 3.05Å
604	A	59.7	Low	69.9	Low	120 Å²	120	69.2 Å²	69.2	99%	0.992	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.8	175.8	0	0	0	0	0	113.6
605	N	62.5	Low	70.2	Confident	111 Å²	111	66.9 Å²	66.9	59%	0.594	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	32.2	177.3	60.9	2.8	0	0	0	112.9	Y603 R608	Y603-N605 WeakPolarHBondContact CB-OD1 3.5Å; Y603-N605 PolarHBondContact O-N 3.05Å; Y603-N605 VanDerWaalsContact O-N 3.12Å; N605-R608 PolarHBondContact ND2-NH2 3.18Å; N605-R608 PolarHBondContact OD1-NE 3.03Å
606	G	70	Confident	70.5	Confident	42 Å²	42	65.7 Å²	65.7	43%	0.433	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.5	-173.4	176.4	0	0	0	0	0	113.8	Y603	Y603-G606 CarbonylContact C-O 3.51Å; Y603-G606 WeakPolarHBondContact CA-O 3.28Å; Y603-G606 WeakPolarHBondContact CB-O 3.4Å; Y603-G606 PolarHBondContact N-O 2.98Å; Y603-G606 PolarHBondContact O-N 3.08Å
607	Q	69.9	Low	70.3	Confident	130 Å²	130	63.5 Å²	63.5	61%	0.607	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.3	174.8	-61.3	-160.4	-33.8	0	0	110.4	A601 N602	A601-Q607 WeakPolarHBondContact O-CA 3.39Å; N602-Q607 WeakPolarHBondContact OD1-CG 3.46Å; N602-Q607 PolarHBondContact OD1-NE2 3.34Å
608	R	68.2	Low	70.2	Confident	121 Å²	121	62.2 Å²	62.2	46%	0.457	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.2	169.3	-62.7	-175.3	175.4	-132.9	-7	109.4	A601 Y603 N605	A601-R608 PolarHBondContact N-O 3.38Å; A601-R608 PolarHBondContact O-N 3.37Å; Y603-R608 HydrophobicContact CD2-CB 3.73Å; Y603-R608 HydrophobicContact CD2-CG 3.97Å; Y603-R608 HydrophobicContact CE2-CB 3.83Å; Y603-R608 HydrophobicContact CE2-CG 4.43Å; Y603-R608 HydrophobicContact CG-CB 4.43Å; Y603-R608 HydrophobicContact CG-CG 4.18Å; N605-R608 PolarHBondContact ND2-NH2 3.18Å; N605-R608 PolarHBondContact OD1-NE 3.03Å
609	L	71.4	Confident	69.5	Low	118 Å²	118	63.9 Å²	63.9	62%	0.618	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	134.4	163.7	-79.4	153.6	0	0	0	108.2	P598 K600	P598-L609 HydrophobicContact CB-CD2 4Å; K600-L609 HydrophobicContact CG-CD2 3.85Å; K600-L609 HydrophobicContact CG-CG 4.27Å
610	V	69.5	Low	69.3	Low	14 Å²	14	63.4 Å²	63.4	9%	0.085	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.7	175.5	179.2	0	0	0	0	106.2	C580 I599 A601 Y603 L612	C580-V610 HydrophobicContact CB-CG1 3.78Å; I599-V610 PolarHBondContact N-O 3.47Å; I599-V610 PolarHBondContact O-N 3.44Å; A601-V610 HydrophobicContact CB-CG2 3.76Å; Y603-V610 HydrophobicContact CE2-CG2 3.66Å; Y603-V610 WeakPolarHBondContact OH-CG2 3.05Å; V610-L612 HydrophobicContact CG1-CG 4.14Å; V610-L612 PolarHBondContact O-N 2.86Å
611	E	71.8	Confident	69.7	Low	121 Å²	121	56.6 Å²	56.6	57%	0.565	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	119	168.2	-74.5	172.3	175.8	0	0	108.3	Y584 V596	Y584-E611 WeakPolarHBondContact CD2-O 3.04Å; V596-E611 HydrophobicContact CG1-CB 3.66Å; V596-E611 HydrophobicContact CG1-CG 3.81Å
612	L	73	Confident	69.9	Low	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.4	173.4	-83.1	171.1	0	0	0	108.8	F566 L570 F583 L597 I599 V610 V614	F566-L612 HydrophobicContact CB-CD1 3.98Å; F566-L612 HydrophobicContact CD1-CD1 4.06Å; F566-L612 HydrophobicContact CD2-CD1 4.45Å; F566-L612 HydrophobicContact CG-CD1 3.93Å; L570-L612 HydrophobicContact CD1-CD1 3.89Å; F583-L612 HydrophobicContact CB-CD2 3.61Å; F583-L612 HydrophobicContact CD2-CD2 4.19Å; F583-L612 HydrophobicContact CG-CD2 4.41Å; L597-L612 PolarHBondContact N-O 3.17Å; L597-L612 PolarHBondContact O-N 2.83Å; I599-L612 HydrophobicContact CB-CD1 4.4Å; I599-L612 HydrophobicContact CD1-CB 4.32Å; I599-L612 HydrophobicContact CD1-CD1 3.96Å; V610-L612 HydrophobicContact CG1-CG 4.14Å; V610-L612 PolarHBondContact O-N 2.86Å; L612-V614 PolarHBondContact O-N 3.32Å
613	V	72.3	Confident	69.8	Low	9 Å²	9	56.5 Å²	56.5	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122	171	-179.7	0	0	0	0	108.1	Y584 F587 N594	Y584-V613 HydrophobicContact CD2-CG2 4.29Å; Y584-V613 HydrophobicContact CE2-CG2 4.25Å; F587-V613 HydrophobicContact CB-CB 4.17Å; F587-V613 HydrophobicContact CB-CG1 4.22Å; N594-V613 HydrophobicContact CB-CG1 3.98Å; N594-V613 WeakPolarHBondContact ND2-CG1 3.39Å; N594-V613 WeakPolarHBondContact OD1-CG1 3.19Å
614	V	76.9	Confident	70.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.2	173.9	-41	0	0	0	0	110	A559 L562 F566 K595 L597 L612 F624	A559-V614 HydrophobicContact CB-CG2 3.63Å; L562-V614 HydrophobicContact CB-CB 4.18Å; F566-V614 HydrophobicContact CD2-CG1 3.74Å; F566-V614 HydrophobicContact CE2-CB 4.36Å; F566-V614 HydrophobicContact CE2-CG1 3.59Å; K595-V614 HydrophobicContact CB-CG2 4.32Å; K595-V614 PolarHBondContact N-O 3.26Å; K595-V614 PolarHBondContact O-N 3.36Å; L597-V614 HydrophobicContact CB-CG1 4.47Å; L597-V614 HydrophobicContact CD1-CB 4.49Å; L597-V614 HydrophobicContact CD1-CG1 4Å; L597-V614 HydrophobicContact CD1-CG2 3.6Å; L597-V614 HydrophobicContact CG-CG1 4.31Å; L597-V614 HydrophobicContact CG-CG2 3.9Å; L612-V614 PolarHBondContact O-N 3.32Å; V614-F624 HydrophobicContact CB-CZ 4.21Å
615	C	73.6	Confident	71.5	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.3	167.3	-175.6	0	0	0	0	110.2	L562 C591 D617 H620 F624	L562-C615 HydrophobicContact CD1-CB 4.25Å; L562-C615 WeakPolarHBondContact CD1-O 3.24Å; C591-C615 HydrophobicContact CB-CB 4.42Å; C615-D617 PolarHBondContact SG-N 2.88Å; C615-D617 VanDerWaalsContact SG-N 3.44Å; C615-D617 PolarHBondContact SG-O 2.91Å; C615-H620 PolarHBondContact SG-ND1 3.48Å; C615-H620 VanDerWaalsContact SG-ND1 3.4Å; C615-F624 HydrophobicContact CB-CD2 3.92Å; C615-F624 HydrophobicContact CB-CE2 4.26Å; C615-F624 HydrophobicContact CB-CG 4.38Å
616	D	76.1	Confident	72	Confident	61 Å²	61	47.3 Å²	47.3	33%	0.326	23%	0.233	S	C	.	.			trans	-108.1	-10.5	172.4	57.9	-2.5	0	0	0	114.2	A558 A559 S593 K595	A558-D616 WeakPolarHBondContact CB-O 3.17Å; A559-D616 HydrophobicContact CB-CB 3.87Å; S593-D616 WeakPolarHBondContact CB-OD1 3.47Å; S593-D616 PolarHBondContact OG-OD1 3.35Å; K595-D616 HydrophobicContact CB-CB 4.06Å; K595-D616 HydrophobicContact CD-CB 4.5Å
617	D	68.8	Low	72	Confident	29 Å²	29	48 Å²	48	16%	0.155	23%	0.225	C	C	.	.	S	Bend	trans	-83.3	128.2	169.7	-174.4	-15.7	0	0	0	110.8	C615 R619 H620 V621	C615-D617 PolarHBondContact SG-N 2.88Å; C615-D617 VanDerWaalsContact SG-N 3.44Å; C615-D617 PolarHBondContact SG-O 2.91Å; D617-R619 PolarHBondContact O-N 2.85Å; D617-R619 VanDerWaalsContact OD1-CB 3.27Å; D617-R619 WeakPolarHBondContact OD1-CB 3.24Å; D617-R619 VanDerWaalsContact OD1-CG 3.28Å; D617-R619 WeakPolarHBondContact OD1-CG 3.32Å; D617-R619 PolarHBondContact OD1-N 3.17Å; D617-R619 IonicContact OD1-NE 2.67Å; D617-R619 PolarHBondContact OD1-NE 2.98Å; D617-R619 IonicContact OD2-CZ 3.46Å; D617-R619 IonicContact OD2-NE 3.17Å; D617-R619 PolarHBondContact OD2-NE 3.38Å; D617-R619 IonicContact OD2-NH2 3.06Å; D617-R619 PolarHBondContact OD2-NH2 3.27Å; D617-H620 IonicContact OD2-CE1 3.98Å; D617-H620 PolarHBondContact OD2-CE1 3.06Å; D617-H620 VanDerWaalsContact OD2-CE1 3.25Å; D617-H620 IonicContact OD2-NE2 2.61Å; D617-H620 PolarHBondContact OD2-NE2 2.7Å; D617-V621 WeakPolarHBondContact O-CG2 3.41Å
618	A	72.9	Confident	72.4	Confident	11 Å²	11	41.8 Å²	41.8	9%	0.091	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-60.4	-29.3	176.8	0	0	0	0	0	113.5	C524 V527 H620 V621	C524-A618 HydrophobicContact CB-CB 3.67Å; C524-A618 WeakPolarHBondContact O-CB 3.02Å; V527-A618 HydrophobicContact CG2-CB 3.41Å; V527-A618 VanDerWaalsContact CG2-CB 3.41Å; A618-H620 PolarHBondContact O-N 2.84Å; A618-V621 PolarHBondContact O-N 3.4Å
619	R	62.9	Low	73	Confident	127 Å²	127	36 Å²	36	48%	0.479	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-66.2	-32.1	-174.2	-62.5	177.5	-64.6	172.3	6.8	113	D617 P622	D617-R619 PolarHBondContact O-N 2.85Å; D617-R619 VanDerWaalsContact OD1-CB 3.27Å; D617-R619 WeakPolarHBondContact OD1-CB 3.24Å; D617-R619 VanDerWaalsContact OD1-CG 3.28Å; D617-R619 WeakPolarHBondContact OD1-CG 3.32Å; D617-R619 PolarHBondContact OD1-N 3.17Å; D617-R619 IonicContact OD1-NE 2.67Å; D617-R619 PolarHBondContact OD1-NE 2.98Å; D617-R619 IonicContact OD2-CZ 3.46Å; D617-R619 IonicContact OD2-NE 3.17Å; D617-R619 PolarHBondContact OD2-NE 3.38Å; D617-R619 IonicContact OD2-NH2 3.06Å; D617-R619 PolarHBondContact OD2-NH2 3.27Å; R619-P622 WeakPolarHBondContact O-CD 3.23Å
620	H	68.6	Low	72.7	Confident	5 Å²	5	31.8 Å²	31.8	2%	0.023	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-92.2	-8.7	-179.7	-34.3	133.1	0	0	0	113.1	G70 L71 C615 D617 A618 P622 N623 F624	G70-H620 PolarHBondContact O-NE2 2.84Å; L71-H620 PolarHBondContact O-CD2 3Å; C615-H620 PolarHBondContact SG-ND1 3.48Å; C615-H620 VanDerWaalsContact SG-ND1 3.4Å; D617-H620 IonicContact OD2-CE1 3.98Å; D617-H620 PolarHBondContact OD2-CE1 3.06Å; D617-H620 VanDerWaalsContact OD2-CE1 3.25Å; D617-H620 IonicContact OD2-NE2 2.61Å; D617-H620 PolarHBondContact OD2-NE2 2.7Å; A618-H620 PolarHBondContact O-N 2.84Å; H620-P622 VanDerWaalsContact C-CD 3.43Å; H620-N623 PolarHBondContact O-N 3.11Å; H620-N623 VanDerWaalsContact O-N 3.11Å; H620-F624 PolarHBondContact O-N 2.92Å
621	V	78.8	Confident	72.8	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-55	-40.9	-178.8	-175.7	0	0	0	0	113.4	V527 V529 A558 L562 D617 A618 N623 F624 L625 L641	V527-V621 HydrophobicContact CG1-CB 4.41Å; V527-V621 HydrophobicContact CG1-CG1 4.09Å; V527-V621 HydrophobicContact CG1-CG2 4.44Å; V527-V621 HydrophobicContact CG2-CG2 4.36Å; V529-V621 HydrophobicContact CG2-CG1 4.37Å; A558-V621 HydrophobicContact CB-CG2 3.79Å; L562-V621 HydrophobicContact CD1-CG1 4.47Å; L562-V621 HydrophobicContact CD1-CG2 4.17Å; L562-V621 HydrophobicContact CD2-CG1 4.2Å; D617-V621 WeakPolarHBondContact O-CG2 3.41Å; A618-V621 PolarHBondContact O-N 3.4Å; V621-N623 VanDerWaalsContact C-N 3.32Å; V621-N623 PolarHBondContact O-N 3.01Å; V621-F624 WeakPolarHBondContact O-CB 3.37Å; V621-F624 PolarHBondContact O-N 2.92Å; V621-F624 VanDerWaalsContact O-N 3.17Å; V621-L625 HydrophobicContact CG1-CD1 3.83Å; V621-L625 HydrophobicContact CG1-CD2 4.39Å; V621-L625 HydrophobicContact CG1-CG 3.81Å; V621-L625 VanDerWaalsContact O-CG 3.26Å; V621-L625 WeakPolarHBondContact O-CG 3.49Å; V621-L625 PolarHBondContact O-N 2.04Å; V621-L641 HydrophobicContact CG1-CD2 3.97Å
622	P	72.6	Confident	73.1	Confident	46 Å²	46	26.8 Å²	26.8	30%	0.299	13%	0.13	S	C	.	.	H	α-helix	trans	-53.6	-46.9	175.3	-26.2	34.6	0	0	0	113.2	R619 H620 L625 Y626 L641	R619-P622 WeakPolarHBondContact O-CD 3.23Å; H620-P622 VanDerWaalsContact C-CD 3.43Å; P622-L625 PolarHBondContact O-N 2.89Å; P622-Y626 WeakPolarHBondContact O-CB 3.18Å; P622-Y626 PolarHBondContact O-N 3.38Å; P622-L641 HydrophobicContact CG-CD1 3.72Å; P622-L641 HydrophobicContact CG-CG 4.33Å
623	N	63.6	Low	73	Confident	55 Å²	55	28.1 Å²	28.1	29%	0.294	14%	0.143	S	C	.	.	H	α-helix	trans	-68.5	-40.7	178.9	-63.5	-19.8	0	0	0	110.8	H620 V621 L625 Y626 H627	H620-N623 PolarHBondContact O-N 3.11Å; H620-N623 VanDerWaalsContact O-N 3.11Å; V621-N623 VanDerWaalsContact C-N 3.32Å; V621-N623 PolarHBondContact O-N 3.01Å; N623-L625 PolarHBondContact O-N 3.5Å; N623-Y626 WeakPolarHBondContact O-CB 3.48Å; N623-Y626 PolarHBondContact O-N 3.5Å; N623-H627 PolarHBondContact O-CD2 2.89Å; N623-H627 PolarHBondContact O-N 2.96Å
624	F	75.4	Confident	73.4	Confident	5 Å²	5	27.9 Å²	27.9	2%	0.022	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-44.8	177.1	-162.5	-91.8	0	0	0	112.1	L562 F566 F587 V614 C615 H620 V621 H627 I628	L562-F624 HydrophobicContact CB-CE1 4.4Å; L562-F624 HydrophobicContact CD1-CD1 3.55Å; L562-F624 HydrophobicContact CD1-CE1 3.68Å; L562-F624 HydrophobicContact CD1-CG 4.14Å; L562-F624 HydrophobicContact CD1-CZ 4.4Å; L562-F624 HydrophobicContact CD2-CD1 3.65Å; L562-F624 HydrophobicContact CD2-CE1 3.9Å; L562-F624 HydrophobicContact CG-CD1 4.19Å; L562-F624 HydrophobicContact CG-CE1 4.21Å; F566-F624 AromaticContact CE2-CE1 3.5Å; F566-F624 HydrophobicContact CE2-CE1 3.5Å; F566-F624 AromaticContact CE2-CZ 3.64Å; F566-F624 HydrophobicContact CE2-CZ 3.64Å; F566-F624 AromaticContact CZ-CE1 3.58Å; F566-F624 HydrophobicContact CZ-CE1 3.58Å; F566-F624 AromaticContact CZ-CZ 3.68Å; F566-F624 HydrophobicContact CZ-CZ 3.68Å; F587-F624 HydrophobicContact CB-CE2 3.86Å; F587-F624 HydrophobicContact CB-CZ 4.37Å; F587-F624 AromaticContact CD1-CD2 3.76Å; F587-F624 HydrophobicContact CD1-CD2 3.76Å; F587-F624 AromaticContact CD1-CE2 3.41Å; F587-F624 HydrophobicContact CD1-CE2 3.41Å; F587-F624 VanDerWaalsContact CD1-CE2 3.41Å; F587-F624 HydrophobicContact CD1-CZ 4.01Å; F587-F624 HydrophobicContact CD2-CE2 4.04Å; F587-F624 AromaticContact CD2-CZ 3.87Å; F587-F624 HydrophobicContact CD2-CZ 3.87Å; F587-F624 HydrophobicContact CE1-CD2 4.05Å; F587-F624 AromaticContact CE1-CE2 3.95Å; F587-F624 HydrophobicContact CE1-CE2 3.95Å; F587-F624 HydrophobicContact CE1-CG 4.49Å; F587-F624 HydrophobicContact CE1-CZ 4.3Å; F587-F624 HydrophobicContact CE2-CZ 4.15Å; F587-F624 HydrophobicContact CG-CD2 4.31Å; F587-F624 AromaticContact CG-CE2 3.49Å; F587-F624 HydrophobicContact CG-CE2 3.49Å; F587-F624 VanDerWaalsContact CG-CE2 3.49Å; F587-F624 AromaticContact CG-CZ 3.82Å; F587-F624 HydrophobicContact CG-CZ 3.82Å; F587-F624 HydrophobicContact CZ-CE2 4.48Å; F587-F624 HydrophobicContact CZ-CZ 4.38Å; V614-F624 HydrophobicContact CB-CZ 4.21Å; C615-F624 HydrophobicContact CB-CD2 3.92Å; C615-F624 HydrophobicContact CB-CE2 4.26Å; C615-F624 HydrophobicContact CB-CG 4.38Å; H620-F624 PolarHBondContact O-N 2.92Å; V621-F624 WeakPolarHBondContact O-CB 3.37Å; V621-F624 PolarHBondContact O-N 2.92Å; V621-F624 VanDerWaalsContact O-N 3.17Å; F624-H627 PolarHBondContact O-N 3.49Å; F624-I628 HydrophobicContact CD1-CD1 3.65Å; F624-I628 HydrophobicContact CD1-CG1 4.36Å; F624-I628 HydrophobicContact CE1-CD1 3.57Å; F624-I628 HydrophobicContact CE1-CG1 4.35Å; F624-I628 WeakPolarHBondContact O-CG1 3.5Å; F624-I628 PolarHBondContact O-N 3.12Å
625	L	83.4	Confident	73.5	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-37.5	175.8	-64.3	177.2	0	0	0	112.9	V529 L562 L565 V621 P622 N623 I628 S629 F639 L641	V529-L625 HydrophobicContact CB-CD1 4.41Å; V529-L625 HydrophobicContact CG1-CD1 3.71Å; V529-L625 HydrophobicContact CG1-CD2 3.76Å; V529-L625 HydrophobicContact CG1-CG 4.4Å; V529-L625 HydrophobicContact CG2-CD1 3.91Å; V529-L625 HydrophobicContact CG2-CD2 4.25Å; L562-L625 HydrophobicContact CD2-CD2 3.79Å; L565-L625 HydrophobicContact CD2-CD2 3.36Å; V621-L625 HydrophobicContact CG1-CD1 3.83Å; V621-L625 HydrophobicContact CG1-CD2 4.39Å; V621-L625 HydrophobicContact CG1-CG 3.81Å; V621-L625 VanDerWaalsContact O-CG 3.26Å; V621-L625 WeakPolarHBondContact O-CG 3.49Å; V621-L625 PolarHBondContact O-N 2.04Å; P622-L625 PolarHBondContact O-N 2.89Å; N623-L625 PolarHBondContact O-N 3.5Å; L625-I628 PolarHBondContact O-N 3.08Å; L625-S629 WeakPolarHBondContact O-CB 3.38Å; L625-S629 PolarHBondContact O-N 3.25Å; L625-S629 PolarHBondContact O-OG 3.37Å; L625-F639 HydrophobicContact CB-CB 4.26Å; L625-F639 HydrophobicContact CD2-CB 4.03Å; L625-L641 HydrophobicContact CD1-CD2 3.82Å; L625-L641 HydrophobicContact CD1-CG 4.47Å
626	Y	72.4	Confident	73.7	Confident	96 Å²	96	28.7 Å²	28.7	38%	0.376	15%	0.148	S	C	.	.	H	α-helix	trans	-60.2	-49.9	172.9	-178.7	-89.6	0	0	0	110.8	P622 N623 I628 S629 V630 C636	P622-Y626 WeakPolarHBondContact O-CB 3.18Å; P622-Y626 PolarHBondContact O-N 3.38Å; N623-Y626 WeakPolarHBondContact O-CB 3.48Å; N623-Y626 PolarHBondContact O-N 3.5Å; Y626-I628 PolarHBondContact O-N 3.38Å; Y626-S629 PolarHBondContact O-N 3.17Å; Y626-V630 HydrophobicContact CD1-CG2 4.28Å; Y626-V630 HydrophobicContact CE1-CG2 3.94Å; Y626-V630 WeakPolarHBondContact O-CB 3.3Å; Y626-V630 WeakPolarHBondContact O-CG2 3.34Å; Y626-V630 PolarHBondContact O-N 3.12Å; Y626-C636 HydrophobicContact CD2-CB 3.6Å; Y626-C636 HydrophobicContact CE2-CB 3.51Å; Y626-C636 VanDerWaalsContact CE2-SG 3.58Å
627	H	69.4	Low	73.8	Confident	57 Å²	57	26.6 Å²	26.6	26%	0.264	14%	0.138	S	C	.	.	H	α-helix	trans	-63.6	-38.5	176.6	-78.7	-69	0	0	0	113	F587 N623 F624 V630 L631	F587-H627 HydrophobicContact CE1-CB 3.89Å; F587-H627 HydrophobicContact CZ-CB 4.43Å; N623-H627 PolarHBondContact O-CD2 2.89Å; N623-H627 PolarHBondContact O-N 2.96Å; F624-H627 PolarHBondContact O-N 3.49Å; H627-V630 PolarHBondContact O-N 2.86Å; H627-L631 WeakPolarHBondContact O-CB 3.44Å; H627-L631 VanDerWaalsContact O-CG 3.28Å; H627-L631 WeakPolarHBondContact O-CG 3.22Å; H627-L631 PolarHBondContact O-N 3.03Å
628	I	79.1	Confident	74.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.7	-50.5	171.2	-75.7	172.7	0	0	0	111	L565 F566 I569 F583 F587 F624 L625 Y626 V630 L631 L632 F639	L565-I628 HydrophobicContact CD2-CD1 4.14Å; F566-I628 HydrophobicContact CE1-CD1 3.91Å; F566-I628 HydrophobicContact CE1-CG1 4.2Å; F566-I628 HydrophobicContact CE2-CD1 4.33Å; F566-I628 HydrophobicContact CZ-CD1 3.69Å; F566-I628 HydrophobicContact CZ-CG1 4.17Å; I569-I628 HydrophobicContact CD1-CG2 3.57Å; F583-I628 HydrophobicContact CE1-CG1 4.48Å; F587-I628 HydrophobicContact CE2-CG1 4.1Å; F587-I628 HydrophobicContact CZ-CG1 3.64Å; F624-I628 HydrophobicContact CD1-CD1 3.65Å; F624-I628 HydrophobicContact CD1-CG1 4.36Å; F624-I628 HydrophobicContact CE1-CD1 3.57Å; F624-I628 HydrophobicContact CE1-CG1 4.35Å; F624-I628 WeakPolarHBondContact O-CG1 3.5Å; F624-I628 PolarHBondContact O-N 3.12Å; L625-I628 PolarHBondContact O-N 3.08Å; Y626-I628 PolarHBondContact O-N 3.38Å; I628-V630 VanDerWaalsContact C-N 3.31Å; I628-V630 PolarHBondContact O-N 3.33Å; I628-L631 PolarHBondContact O-N 2.92Å; I628-L632 HydrophobicContact CG2-CD1 3.67Å; I628-L632 WeakPolarHBondContact O-CG 3.43Å; I628-L632 PolarHBondContact O-N 2.78Å; I628-F639 HydrophobicContact CG2-CD2 3.88Å; I628-F639 HydrophobicContact CG2-CE2 3.99Å
629	S	80.5	Confident	75.4	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-44.8	-178.6	-60	0	0	0	0	111.1	L625 Y626 L632 G633 A634 F639	L625-S629 WeakPolarHBondContact O-CB 3.38Å; L625-S629 PolarHBondContact O-N 3.25Å; L625-S629 PolarHBondContact O-OG 3.37Å; Y626-S629 PolarHBondContact O-N 3.17Å; S629-L632 PolarHBondContact O-N 3.33Å; S629-G633 PolarHBondContact O-N 3.08Å; S629-A634 PolarHBondContact O-N 3.36Å; S629-F639 WeakPolarHBondContact OG-CD2 3.15Å
630	V	65.2	Low	76.5	Confident	28 Å²	28	19.6 Å²	19.6	17%	0.17	11%	0.11	C	C	.	.	H	α-helix	trans	-56.8	-50.7	173	152.9	0	0	0	0	112.4	Y626 H627 I628 L632 G633 T678	Y626-V630 HydrophobicContact CD1-CG2 4.28Å; Y626-V630 HydrophobicContact CE1-CG2 3.94Å; Y626-V630 WeakPolarHBondContact O-CB 3.3Å; Y626-V630 WeakPolarHBondContact O-CG2 3.34Å; Y626-V630 PolarHBondContact O-N 3.12Å; H627-V630 PolarHBondContact O-N 2.86Å; I628-V630 VanDerWaalsContact C-N 3.31Å; I628-V630 PolarHBondContact O-N 3.33Å; V630-L632 PolarHBondContact O-N 3.29Å; V630-G633 PolarHBondContact O-N 2.94Å; V630-T678 HydrophobicContact CB-CG2 4.22Å; V630-T678 HydrophobicContact CG1-CG2 3.48Å; V630-T678 VanDerWaalsContact CG1-CG2 3.48Å; V630-T678 HydrophobicContact CG2-CG2 3.99Å
631	L	71.2	Confident	77.3	Confident	31 Å²	31	22.2 Å²	22.2	16%	0.162	12%	0.124	C	C	.	.	H	α-helix	trans	-67.9	-17.6	-179.2	-73.5	171	0	0	0	113.6	F583 F587 H627 I628 L682	F583-L631 HydrophobicContact CD1-CB 4.48Å; F583-L631 HydrophobicContact CD1-CD1 3.85Å; F583-L631 HydrophobicContact CE1-CB 4.03Å; F583-L631 HydrophobicContact CE1-CD1 4.15Å; F587-L631 HydrophobicContact CE2-CD1 4.44Å; F587-L631 HydrophobicContact CZ-CD1 4Å; H627-L631 WeakPolarHBondContact O-CB 3.44Å; H627-L631 VanDerWaalsContact O-CG 3.28Å; H627-L631 WeakPolarHBondContact O-CG 3.22Å; H627-L631 PolarHBondContact O-N 3.03Å; I628-L631 PolarHBondContact O-N 2.92Å; L631-L682 VanDerWaalsContact O-CD2 3.31Å; L631-L682 WeakPolarHBondContact O-CD2 3.01Å
632	L	77.8	Confident	77.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.6	173.1	-70.9	165.2	0	0	0	113.2	H540 L541 I569 V573 L579 F583 I628 S629 V630 A634 F639	H540-L632 HydrophobicContact CB-CD2 4.07Å; H540-L632 PolarHBondContact CD2-O 3.26Å; L541-L632 HydrophobicContact CD1-CD1 4.18Å; L541-L632 HydrophobicContact CD2-CD1 4.21Å; L541-L632 HydrophobicContact CD2-CD2 4.27Å; L541-L632 HydrophobicContact CG-CD1 4.3Å; L541-L632 HydrophobicContact CG-CD2 4.33Å; I569-L632 HydrophobicContact CD1-CD1 4.08Å; I569-L632 HydrophobicContact CG1-CD1 4.23Å; I569-L632 HydrophobicContact CG2-CD1 3.93Å; I569-L632 HydrophobicContact CG2-CD2 3.92Å; V573-L632 HydrophobicContact CG2-CD2 3.94Å; L579-L632 HydrophobicContact CD1-CD2 4.04Å; L579-L632 HydrophobicContact CD2-CD2 3.61Å; L579-L632 HydrophobicContact CG-CD2 4.49Å; F583-L632 HydrophobicContact CZ-CG 4.46Å; I628-L632 HydrophobicContact CG2-CD1 3.67Å; I628-L632 WeakPolarHBondContact O-CG 3.43Å; I628-L632 PolarHBondContact O-N 2.78Å; S629-L632 PolarHBondContact O-N 3.33Å; V630-L632 PolarHBondContact O-N 3.29Å; L632-A634 HydrophobicContact CB-CB 4.33Å; L632-A634 PolarHBondContact O-N 3.46Å; L632-F639 HydrophobicContact CD1-CE2 3.72Å; L632-F639 HydrophobicContact CD1-CZ 4.34Å
633	G	70.8	Confident	77.7	Confident	27 Å²	27	29.2 Å²	29.2	28%	0.278	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	21.7	-172.2	0	0	0	0	0	113.3	G538 S629 V630	G538-G633 WeakPolarHBondContact CA-O 3.33Å; S629-G633 PolarHBondContact O-N 3.08Å; V630-G633 PolarHBondContact O-N 2.94Å
634	A	80.8	Confident	78.3	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.033	16%	0.158	C	C	.	.			trans	-90.1	165.3	179.1	0	0	0	0	0	111	S536 L541 S629 L632 T638	S536-A634 CarbonylContact O-C 3.53Å; S536-A634 WeakPolarHBondContact O-CA 3.5Å; L541-A634 HydrophobicContact CD1-CB 4.46Å; S629-A634 PolarHBondContact O-N 3.36Å; L632-A634 HydrophobicContact CB-CB 4.33Å; L632-A634 PolarHBondContact O-N 3.46Å; A634-T638 HydrophobicContact CB-CG2 4.31Å
635	C	80.4	Confident	77.7	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.034	18%	0.182	C	C	.	.			trans	-57.8	137.5	168.7	172.6	0	0	0	0	110.1	C535 S536 S637 T638 C649 C653	C535-C635 HydrophobicContact CB-CB 4.06Å; S536-C635 PolarHBondContact O-N 2.98Å; C635-S637 PolarHBondContact O-N 3.11Å; C635-S637 VanDerWaalsContact O-N 3.08Å; C635-T638 PolarHBondContact N-OG1 3.34Å; C635-T638 WeakPolarHBondContact O-CB 3.31Å; C635-T638 PolarHBondContact O-N 3.37Å; C635-T638 PolarHBondContact O-OG1 2.81Å; C635-C649 VanDerWaalsContact SG-SG 3.62Å; C635-C653 HydrophobicContact CB-CB 4.25Å
636	C	76.8	Confident	76.4	Confident	13 Å²	13	37.5 Å²	37.5	9%	0.088	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.1	-175.3	-49.9	0	0	0	0	113.8	Y626 L651	Y626-C636 HydrophobicContact CD2-CB 3.6Å; Y626-C636 HydrophobicContact CE2-CB 3.51Å; Y626-C636 VanDerWaalsContact CE2-SG 3.58Å; C636-L651 HydrophobicContact CB-CD1 3.81Å
637	S	79.1	Confident	75.6	Confident	17 Å²	17	38 Å²	38	12%	0.119	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	18.1	171.3	-40.5	0	0	0	0	113.6	N532 C535 C635	N532-S637 PolarHBondContact ND2-O 3.46Å; C535-S637 PolarHBondContact SG-O 3.17Å; C635-S637 PolarHBondContact O-N 3.11Å; C635-S637 VanDerWaalsContact O-N 3.08Å
638	T	85.7	Confident	75.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-71.7	-35.9	174.6	-58.6	0	0	0	0	111.2	V531 N532 L537 L541 A634 C635	V531-T638 CarbonylContact C-O 3.53Å; V531-T638 WeakPolarHBondContact CA-O 3.47Å; N532-T638 PolarHBondContact N-O 2.76Å; L537-T638 HydrophobicContact CD2-CG2 3.45Å; L537-T638 VanDerWaalsContact CD2-CG2 3.45Å; L541-T638 HydrophobicContact CD1-CG2 4.44Å; A634-T638 HydrophobicContact CB-CG2 4.31Å; C635-T638 PolarHBondContact N-OG1 3.34Å; C635-T638 WeakPolarHBondContact O-CB 3.31Å; C635-T638 PolarHBondContact O-N 3.37Å; C635-T638 PolarHBondContact O-OG1 2.81Å
639	F	89.2	Confident	75	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.8	170.8	-50.5	-71.7	0	0	0	108.2	V529 Y530 V531 L541 L565 I569 L625 I628 S629 L632	V529-F639 HydrophobicContact CG1-CB 4.36Å; Y530-F639 WeakPolarHBondContact O-CA 3.42Å; V531-F639 HydrophobicContact CB-CD1 4.43Å; V531-F639 HydrophobicContact CB-CE1 4.48Å; V531-F639 HydrophobicContact CG1-CD1 4.19Å; V531-F639 HydrophobicContact CG1-CE1 3.81Å; V531-F639 HydrophobicContact CG2-CD1 4.05Å; V531-F639 HydrophobicContact CG2-CE1 4.19Å; L541-F639 HydrophobicContact CD1-CE2 4.14Å; L541-F639 HydrophobicContact CD1-CZ 3.89Å; L565-F639 HydrophobicContact CD1-CD1 3.59Å; L565-F639 HydrophobicContact CD1-CE1 3.61Å; L565-F639 HydrophobicContact CD1-CG 4.32Å; L565-F639 HydrophobicContact CD1-CZ 4.38Å; I569-F639 HydrophobicContact CD1-CE2 4.29Å; I569-F639 HydrophobicContact CD1-CZ 4.17Å; I569-F639 HydrophobicContact CG1-CZ 3.99Å; L625-F639 HydrophobicContact CB-CB 4.26Å; L625-F639 HydrophobicContact CD2-CB 4.03Å; I628-F639 HydrophobicContact CG2-CD2 3.88Å; I628-F639 HydrophobicContact CG2-CE2 3.99Å; S629-F639 WeakPolarHBondContact OG-CD2 3.15Å; L632-F639 HydrophobicContact CD1-CE2 3.72Å; L632-F639 HydrophobicContact CD1-CZ 4.34Å
640	S	85.3	Confident	74.3	Confident	18 Å²	18	41.7 Å²	41.7	13%	0.126	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	165.1	-175.9	49.8	0	0	0	0	112.2	V529 Y530 N532 S642	V529-S640 WeakPolarHBondContact CA-O 3.27Å; Y530-S640 PolarHBondContact N-O 2.69Å; Y530-S640 PolarHBondContact O-N 2.84Å; Y530-S640 VanDerWaalsContact O-N 3.12Å; N532-S640 PolarHBondContact ND2-OG 2.85Å; S640-S642 VanDerWaalsContact C-N 3.28Å; S640-S642 PolarHBondContact OG-O 2.89Å
641	L	85	Confident	74.3	Confident	59 Å²	59	42.5 Å²	42.5	31%	0.309	29%	0.29	S	S	.	.	S	Bend	trans	-81.8	-6.5	172.7	-59.7	-165.7	0	0	0	113.7	V527 T528 V529 Y530 V621 P622 L625	V527-L641 HydrophobicContact CG1-CD2 3.51Å; T528-L641 WeakPolarHBondContact O-CD2 3.32Å; V529-L641 HydrophobicContact CG2-CD2 4.11Å; Y530-L641 WeakPolarHBondContact CD2-O 3.44Å; Y530-L641 VanDerWaalsContact CE2-O 3.3Å; Y530-L641 WeakPolarHBondContact CE2-O 3.5Å; V621-L641 HydrophobicContact CG1-CD2 3.97Å; P622-L641 HydrophobicContact CG-CD1 3.72Å; P622-L641 HydrophobicContact CG-CG 4.33Å; L625-L641 HydrophobicContact CD1-CD2 3.82Å; L625-L641 HydrophobicContact CD1-CG 4.47Å
642	S	79.9	Confident	74	Confident	74 Å²	74	47.6 Å²	47.6	52%	0.517	31%	0.311	S	S	.	.	S	Bend	trans	-118.3	146.9	174.6	51.1	0	0	0	0	111.4	Y530 S640	Y530-S642 VanDerWaalsContact CD2-C 3.43Å; S640-S642 VanDerWaalsContact C-N 3.28Å; S640-S642 PolarHBondContact OG-O 2.89Å
643	E	81.5	Confident	73.6	Confident	120 Å²	120	48 Å²	48	56%	0.561	31%	0.313	S	S	*	.			trans	-77.2	138.3	170.7	-164.8	163.3	-162.6	0	0	110.6	Y530 G645	Y530-E643 HydrophobicContact CD1-CB 3.5Å; Y530-E643 VanDerWaalsContact CD1-CB 3.5Å; Y530-E643 HydrophobicContact CD1-CG 3.83Å; Y530-E643 HydrophobicContact CE1-CB 3.68Å; Y530-E643 HydrophobicContact CE1-CG 4.22Å; Y530-E643 HydrophobicContact CG-CB 3.99Å; E643-G645 PolarHBondContact O-N 3.1Å
644	L	75.6	Confident	73.1	Confident	44 Å²	44	49.1 Å²	49.1	23%	0.23	32%	0.315	C	S	.	.			trans	-86.5	88.3	171.4	-63.8	-179	0	0	0	110.2	N532 C535 C649 P650	N532-L644 HydrophobicContact CB-CB 4.38Å; N532-L644 HydrophobicContact CB-CD1 3.81Å; N532-L644 HydrophobicContact CB-CG 4.18Å; N532-L644 PolarHBondContact OD1-N 3.48Å; C535-L644 WeakPolarHBondContact SG-CD1 3.44Å; L644-C649 HydrophobicContact CD1-CB 4.16Å; L644-P650 HydrophobicContact CD2-CG 4.43Å
645	G	63.7	Low	71.7	Confident	51 Å²	51	54.3 Å²	54.3	53%	0.526	34%	0.342	S	S	.	.			trans	-68.7	-160.2	172.4	0	0	0	0	0	113.9	E643 A647 G648	E643-G645 PolarHBondContact O-N 3.1Å; G645-A647 PolarHBondContact O-N 3.09Å; G645-G648 PolarHBondContact O-N 3.09Å
646	S	55.3	Low	70.2	Confident	141 Å²	141	58.3 Å²	58.3	99%	0.986	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.7	-176.3	50.9	0	0	0	0	115.3	G648	S646-G648 PolarHBondContact O-N 3.23Å
647	A	56.3	Low	68.6	Low	106 Å²	106	62.5 Å²	62.5	88%	0.876	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.9	171.5	0	0	0	0	0	114	G645	G645-A647 PolarHBondContact O-N 3.09Å
648	G	66.3	Low	66.4	Low	31 Å²	31	65.2 Å²	65.2	32%	0.32	42%	0.419	S	S	.	.			trans	76	-165.5	175.6	0	0	0	0	0	113.5	G645 S646	G645-G648 PolarHBondContact O-N 3.09Å; S646-G648 PolarHBondContact O-N 3.23Å
649	C	68.3	Low	63.9	Low	8 Å²	8	70.9 Å²	70.9	5%	0.054	45%	0.449	C	S	.	.			trans	-81.9	127.9	179.8	-178.6	0	0	0	0	110.9	C635 L644 L651 K652	C635-C649 VanDerWaalsContact SG-SG 3.62Å; L644-C649 HydrophobicContact CD1-CB 4.16Å; C649-L651 PolarHBondContact O-N 3.26Å; C649-L651 PolarHBondContact SG-N 3.39Å; C649-K652 WeakPolarHBondContact O-CA 3.45Å; C649-K652 PolarHBondContact O-N 3.2Å
650	P	65.9	Low	61	Low	96 Å²	96	81.5 Å²	81.5	62%	0.623	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.9	177.8	25.7	-35.2	0	0	0	113.1	L644	L644-P650 HydrophobicContact CD2-CG 4.43Å
651	L	64.6	Low	58.3	Low	46 Å²	46	87.7 Å²	87.7	24%	0.241	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.3	175.5	-53	178.2	0	0	0	113	C636 C649 C653	C636-L651 HydrophobicContact CB-CD1 3.81Å; C649-L651 PolarHBondContact O-N 3.26Å; C649-L651 PolarHBondContact SG-N 3.39Å; L651-C653 PolarHBondContact O-N 3.33Å; L651-C653 VanDerWaalsContact O-N 3.11Å
652	K	65.8	Low	55.5	Low	137 Å²	137	90.8 Å²	90.8	60%	0.596	54%	0.537	S	S	*	.			trans	44.7	43.3	179.2	-62.3	-167.1	179.6	-173.3	0	113.8	C649 K656	C649-K652 WeakPolarHBondContact O-CA 3.45Å; C649-K652 PolarHBondContact O-N 3.2Å; K652-K656 WeakPolarHBondContact O-CE 3.29Å
653	C	68.5	Low	52.9	Low	8 Å²	8	90.2 Å²	90.2	5%	0.054	54%	0.543	C	S	.	.			trans	-82.4	-22	-177	76.7	0	0	0	0	113.5	S536 C635 L651 D655	S536-C653 PolarHBondContact N-SG 3.06Å; S536-C653 VanDerWaalsContact N-SG 3.39Å; S536-C653 PolarHBondContact OG-O 3.28Å; C635-C653 HydrophobicContact CB-CB 4.25Å; L651-C653 PolarHBondContact O-N 3.33Å; L651-C653 VanDerWaalsContact O-N 3.11Å; C653-D655 VanDerWaalsContact C-N 3.34Å
654	T	60.6	Low	50.2	Low	51 Å²	51	92.6 Å²	92.6	31%	0.313	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-62.5	-39.9	175.7	35	0	0	0	0	112.2	K656 S657	T654-K656 PolarHBondContact O-N 3.47Å; T654-S657 VanDerWaalsContact O-CB 3.23Å; T654-S657 WeakPolarHBondContact O-CB 3.39Å; T654-S657 PolarHBondContact O-N 3.37Å; T654-S657 PolarHBondContact O-OG 2.88Å
655	D	52.2	Low	48.2	Very low	114 Å²	114	97.9 Å²	97.9	61%	0.61	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-71.4	-4.6	-170.9	-43.6	-7.5	0	0	0	112.3	C653	C653-D655 VanDerWaalsContact C-N 3.34Å
656	K	49.1	Very low	46.5	Very low	89 Å²	89	98.4 Å²	98.4	39%	0.387	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-111.1	8.5	-175.9	-43.7	-162.2	-174.8	-153.8	0	112.3	K652 T654 G658 G670	K652-K656 WeakPolarHBondContact O-CE 3.29Å; T654-K656 PolarHBondContact O-N 3.47Å; K656-G658 VanDerWaalsContact C-N 3.27Å; K656-G658 PolarHBondContact O-N 3.5Å; K656-G670 WeakPolarHBondContact CD-O 3.27Å; K656-G670 WeakPolarHBondContact CE-O 3.39Å; K656-G670 PolarHBondContact NZ-O 3.47Å
657	S	42.1	Very low	45.5	Very low	101 Å²	101	94.8 Å²	94.8	71%	0.706	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-10.1	-176.6	54.6	0	0	0	0	115.6	T654 L659	T654-S657 VanDerWaalsContact O-CB 3.23Å; T654-S657 WeakPolarHBondContact O-CB 3.39Å; T654-S657 PolarHBondContact O-N 3.37Å; T654-S657 PolarHBondContact O-OG 2.88Å; S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 3.45Å
658	G	33.3	Very low	44.6	Very low	74 Å²	74	92.1 Å²	92.1	76%	0.763	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-20.1	178.9	0	0	0	0	0	115.2	K656 R660	K656-G658 VanDerWaalsContact C-N 3.27Å; K656-G658 PolarHBondContact O-N 3.5Å; G658-R660 PolarHBondContact O-N 2.84Å; G658-R660 VanDerWaalsContact O-N 3.15Å
659	L	33.9	Very low	43.3	Very low	119 Å²	119	94.9 Å²	94.9	62%	0.623	55%	0.546	S	S	*	.	S	Bend	trans	-78.5	97.9	177.5	-80.2	163.6	0	0	0	110.9	S657 H661	S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 3.45Å; L659-H661 PolarHBondContact O-N 3Å
660	R	27.5	Very low	41.8	Very low	224 Å²	224	96 Å²	96	85%	0.845	56%	0.558	S	S	*	*			trans	-58.4	110.7	168.6	-68.1	-175.6	179.3	-173.1	1	109.4	G658 T662	G658-R660 PolarHBondContact O-N 2.84Å; G658-R660 VanDerWaalsContact O-N 3.15Å; R660-T662 HydrophobicContact CB-CG2 4.46Å; R660-T662 PolarHBondContact O-N 3.25Å
661	H	29.2	Very low	40.5	Very low	148 Å²	148	92.3 Å²	92.3	69%	0.685	54%	0.535	S	S	*	.			trans	-72.5	63.2	174	-75.9	-76.3	0	0	0	112.3	L659	L659-H661 PolarHBondContact O-N 3Å
662	T	25.5	Very low	39.3	Very low	125 Å²	125	94.8 Å²	94.8	77%	0.767	55%	0.553	S	S	*	*			trans	-89.9	106.4	168.9	48.9	0	0	0	0	109.8	R660	R660-T662 HydrophobicContact CB-CG2 4.46Å; R660-T662 PolarHBondContact O-N 3.25Å
663	G	25.5	Very low	38.1	Very low	62 Å²	62	88.8 Å²	88.8	64%	0.639	53%	0.529	S	S	*	.	S	Bend	trans	129.1	161.7	174.2	0	0	0	0	0	113.8	H665	G663-H665 PolarHBondContact O-N 3.32Å; G663-H665 VanDerWaalsContact O-N 3.12Å
664	L	25.5	Very low	36.6	Very low	170 Å²	170	89.4 Å²	89.4	89%	0.89	53%	0.533	S	S	*	.	S	Bend	trans	-80.8	84.4	-175.9	-69.1	71.2	0	0	0	110.7
665	H	32.4	Very low	35.7	Very low	154 Å²	154	87.6 Å²	87.6	71%	0.713	52%	0.522	S	S	*	.			trans	-160.7	136.6	156.3	-105.9	-82.5	0	0	0	110.8	G663 D667	G663-H665 PolarHBondContact O-N 3.32Å; G663-H665 VanDerWaalsContact O-N 3.12Å; H665-D667 WeakPolarHBondContact CB-OD2 3.44Å; H665-D667 IonicContact CG-OD2 3.3Å; H665-D667 IonicContact ND1-OD2 3.43Å; H665-D667 PolarHBondContact O-N 3.41Å
666	G	29.1	Very low	35.2	Very low	63 Å²	63	83.7 Å²	83.7	65%	0.649	51%	0.506	S	S	*	.			trans	-82.2	36.3	-175.1	0	0	0	0	0	114.1	C668	G666-C668 PolarHBondContact O-N 3.32Å; G666-C668 VanDerWaalsContact O-N 3.1Å
667	D	33.9	Very low	34.8	Very low	65 Å²	65	80 Å²	80	35%	0.348	49%	0.49	S	S	.	.			trans	-86.5	88.8	-168.3	-68.1	-41.2	0	0	0	111.5	H665 S669	H665-D667 WeakPolarHBondContact CB-OD2 3.44Å; H665-D667 IonicContact CG-OD2 3.3Å; H665-D667 IonicContact ND1-OD2 3.43Å; H665-D667 PolarHBondContact O-N 3.41Å; D667-S669 PolarHBondContact O-N 2.97Å
668	C	37.8	Very low	34.6	Very low	49 Å²	49	77 Å²	77	33%	0.331	47%	0.468	S	S	.	.			trans	-69.9	65.7	156.7	-166.1	0	0	0	0	108.8	G666 G670 C671 R679	G666-C668 PolarHBondContact O-N 3.32Å; G666-C668 VanDerWaalsContact O-N 3.1Å; C668-G670 VanDerWaalsContact C-N 3.34Å; C668-C671 WeakPolarHBondContact SG-CB 3.12Å; C668-R679 PolarHBondContact O-NH1 3.4Å
669	S	38.5	Very low	35	Very low	90 Å²	90	77.5 Å²	77.5	63%	0.629	45%	0.447	S	S	*	.			trans	-74	-23.7	-174.3	51.6	0	0	0	0	113	D667	D667-S669 PolarHBondContact O-N 2.97Å
670	G	37.7	Very low	35.2	Very low	30 Å²	30	72.9 Å²	72.9	31%	0.309	42%	0.421	S	S	.	.	S	Bend	trans	-86.7	-16.9	-178.1	0	0	0	0	0	116.2	K656 C668 P672	K656-G670 WeakPolarHBondContact CD-O 3.27Å; K656-G670 WeakPolarHBondContact CE-O 3.39Å; K656-G670 PolarHBondContact NZ-O 3.47Å; C668-G670 VanDerWaalsContact C-N 3.34Å; G670-P672 VanDerWaalsContact O-CD 3.28Å; G670-P672 WeakPolarHBondContact O-CD 3.47Å
671	C	37.2	Very low	35.6	Very low	19 Å²	19	65.9 Å²	65.9	13%	0.128	41%	0.411	C	S	.	.			trans	-79.6	116	-171.2	-168.1	0	0	0	0	112	C668 S673 C674	C668-C671 WeakPolarHBondContact SG-CB 3.12Å; C671-S673 VanDerWaalsContact C-N 3.29Å; C671-S673 PolarHBondContact O-N 2.79Å; C671-S673 PolarHBondContact SG-OG 3.46Å; C671-S673 VanDerWaalsContact SG-OG 3.34Å; C671-C674 HydrophobicContact CB-CB 4.27Å; C671-C674 PolarHBondContact SG-SG 2.75Å
672	P	39.4	Very low	35.8	Very low	98 Å²	98	60.8 Å²	60.8	64%	0.636	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.7	177.3	-12.7	29.7	0	0	0	112	G670	G670-P672 VanDerWaalsContact O-CD 3.28Å; G670-P672 WeakPolarHBondContact O-CD 3.47Å
673	S	40.8	Very low	35.9	Very low	11 Å²	11	58.9 Å²	58.9	8%	0.077	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	27	-170.3	68.3	0	0	0	0	114	Q483 C671	Q483-S673 PolarHBondContact OE1-O 2.96Å; C671-S673 VanDerWaalsContact C-N 3.29Å; C671-S673 PolarHBondContact O-N 2.79Å; C671-S673 PolarHBondContact SG-OG 3.46Å; C671-S673 VanDerWaalsContact SG-OG 3.34Å
674	C	37.5	Very low	36.4	Very low	22 Å²	22	62.2 Å²	62.2	15%	0.149	39%	0.386	C	S	.	.	S	Bend	trans	-131.9	109.5	174.6	-70.4	0	0	0	0	109.3	C671 R679	C671-C674 HydrophobicContact CB-CB 4.27Å; C671-C674 PolarHBondContact SG-SG 2.75Å; C674-R679 PolarHBondContact O-NE 2.75Å; C674-R679 PolarHBondContact O-NH2 3.21Å
675	S	41.2	Very low	36.5	Very low	12 Å²	12	58 Å²	58	8%	0.084	37%	0.368	C	S	.	.			trans	-57.7	158.9	177.2	86.7	0	0	0	0	112	E677 T678 R679	S675-E677 PolarHBondContact O-N 3.44Å; S675-E677 PolarHBondContact OG-N 3.4Å; S675-T678 PolarHBondContact OG-N 2.8Å; S675-T678 PolarHBondContact OG-OG1 2.64Å; S675-R679 PolarHBondContact O-NE 3.1Å
676	A	41.4	Very low	36.2	Very low	33 Å²	33	59.9 Å²	59.9	27%	0.273	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.6	173.6	0	0	0	0	0	111.9	R679 R680	A676-R679 PolarHBondContact O-N 3.11Å; A676-R680 VanDerWaalsContact O-CD 3.31Å; A676-R680 WeakPolarHBondContact O-CD 3.47Å; A676-R680 WeakPolarHBondContact O-CG 3.18Å; A676-R680 PolarHBondContact O-N 3.08Å; A676-R680 PolarHBondContact O-NE 2.86Å
677	E	41.1	Very low	36.1	Very low	10 Å²	10	67.3 Å²	67.3	5%	0.047	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-40.7	-178.5	-86.9	16.2	-110.7	0	0	112.2	I466 R467 W474 H485 S675 R679 R680 A681	I466-E677 HydrophobicContact CD1-CB 3.99Å; I466-E677 HydrophobicContact CD1-CG 4.29Å; R467-E677 IonicContact NH1-OE1 3.25Å; W474-E677 HydrophobicContact CG-CG 4.16Å; W474-E677 PolarHBondContact NE1-OE1 3.25Å; H485-E677 IonicContact CE1-OE2 2.81Å; H485-E677 IonicContact NE2-OE2 2.76Å; S675-E677 PolarHBondContact O-N 3.44Å; S675-E677 PolarHBondContact OG-N 3.4Å; E677-R679 PolarHBondContact O-N 3.08Å; E677-R680 VanDerWaalsContact CD-NH1 3.34Å; E677-R680 WeakPolarHBondContact O-CA 3.5Å; E677-R680 WeakPolarHBondContact O-CB 3.49Å; E677-R680 PolarHBondContact O-N 2.84Å; E677-R680 WeakPolarHBondContact OE1-CD 3.44Å; E677-R680 IonicContact OE1-CZ 2.67Å; E677-R680 IonicContact OE1-NE 3.72Å; E677-R680 PolarHBondContact OE1-NE 2.85Å; E677-R680 IonicContact OE1-NH1 3.28Å; E677-R680 PolarHBondContact OE1-NH1 3.14Å; E677-R680 IonicContact OE2-CZ 3.96Å; E677-R680 IonicContact OE2-NE 3.37Å; E677-R680 PolarHBondContact OE2-NE 3.37Å; E677-R680 IonicContact OE2-NH1 2.84Å; E677-R680 PolarHBondContact OE2-NH1 3.37Å; E677-R680 IonicContact OE2-NH2 2.69Å; E677-A681 PolarHBondContact O-N 3.37Å
678	T	37.3	Very low	35.8	Very low	38 Å²	38	73 Å²	73	23%	0.233	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.6	171.9	-46.8	0	0	0	0	110.7	V630 S675 R680	V630-T678 HydrophobicContact CB-CG2 4.22Å; V630-T678 HydrophobicContact CG1-CG2 3.48Å; V630-T678 VanDerWaalsContact CG1-CG2 3.48Å; V630-T678 HydrophobicContact CG2-CG2 3.99Å; S675-T678 PolarHBondContact OG-N 2.8Å; S675-T678 PolarHBondContact OG-OG1 2.64Å; T678-R680 VanDerWaalsContact C-N 3.29Å; T678-R680 PolarHBondContact O-N 3.35Å
679	R	42.2	Very low	35.4	Very low	85 Å²	85	76.2 Å²	76.2	32%	0.321	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.1	175.3	-68	175.7	-84.6	175.8	-2.5	114.5	C668 C674 S675 A676 E677	C668-R679 PolarHBondContact O-NH1 3.4Å; C674-R679 PolarHBondContact O-NE 2.75Å; C674-R679 PolarHBondContact O-NH2 3.21Å; S675-R679 PolarHBondContact O-NE 3.1Å; A676-R679 PolarHBondContact O-N 3.11Å; E677-R679 PolarHBondContact O-N 3.08Å
680	R	38.9	Very low	34.8	Very low	22 Å²	22	81.8 Å²	81.8	8%	0.083	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-16.6	179.4	-67.9	162.1	-159.9	-163.5	-1.3	113.6	R407 A676 E677 T678 L682	R407-R680 HydrophobicContact CG-CG 4.14Å; A676-R680 VanDerWaalsContact O-CD 3.31Å; A676-R680 WeakPolarHBondContact O-CD 3.47Å; A676-R680 WeakPolarHBondContact O-CG 3.18Å; A676-R680 PolarHBondContact O-N 3.08Å; A676-R680 PolarHBondContact O-NE 2.86Å; E677-R680 VanDerWaalsContact CD-NH1 3.34Å; E677-R680 WeakPolarHBondContact O-CA 3.5Å; E677-R680 WeakPolarHBondContact O-CB 3.49Å; E677-R680 PolarHBondContact O-N 2.84Å; E677-R680 WeakPolarHBondContact OE1-CD 3.44Å; E677-R680 IonicContact OE1-CZ 2.67Å; E677-R680 IonicContact OE1-NE 3.72Å; E677-R680 PolarHBondContact OE1-NE 2.85Å; E677-R680 IonicContact OE1-NH1 3.28Å; E677-R680 PolarHBondContact OE1-NH1 3.14Å; E677-R680 IonicContact OE2-CZ 3.96Å; E677-R680 IonicContact OE2-NE 3.37Å; E677-R680 PolarHBondContact OE2-NE 3.37Å; E677-R680 IonicContact OE2-NH1 2.84Å; E677-R680 PolarHBondContact OE2-NH1 3.37Å; E677-R680 IonicContact OE2-NH2 2.69Å; T678-R680 VanDerWaalsContact C-N 3.29Å; T678-R680 PolarHBondContact O-N 3.35Å; R680-L682 PolarHBondContact O-N 2.95Å
681	A	35.6	Very low	34.6	Very low	78 Å²	78	88.2 Å²	88.2	65%	0.645	47%	0.467	S	S	*	.	S	Bend	trans	-72.8	-11.6	174.8	0	0	0	0	0	113.9	E677	E677-A681 PolarHBondContact O-N 3.37Å
682	L	32.6	Very low	34.1	Very low	40 Å²	40	96.9 Å²	96.9	21%	0.209	50%	0.502	C	S	.	.	S	Bend	trans	-81.2	129	-179.1	-64.7	171.3	0	0	0	111.8	L631 R680 V684	L631-L682 VanDerWaalsContact O-CD2 3.31Å; L631-L682 WeakPolarHBondContact O-CD2 3.01Å; R680-L682 PolarHBondContact O-N 2.95Å; L682-V684 PolarHBondContact O-N 3.13Å
683	P	29.2	Very low	33.7	Very low	86 Å²	86	103.6 Å²	103.6	56%	0.558	52%	0.515	S	S	*	.			trans	-70.2	112.4	-178.4	26.6	-33.8	0	0	0	112.4	V685	P683-V685 PolarHBondContact O-N 3.1Å
684	V	34.3	Very low	33.1	Very low	131 Å²	131	114 Å²	114	79%	0.794	55%	0.552	S	S	*	*			trans	-75.7	85.2	-176.7	-175.1	0	0	0	0	111.8	L682 K686	L682-V684 PolarHBondContact O-N 3.13Å; V684-K686 PolarHBondContact O-N 2.96Å
685	V	28.7	Very low	32.6	Very low	83 Å²	83	119 Å²	119	50%	0.503	58%	0.577	S	S	.	*			trans	-77.1	89.3	177.6	-171.7	0	0	0	0	111.5	R575 P683 R687	R575-V685 VanDerWaalsContact NH1-CG1 3.33Å; P683-V685 PolarHBondContact O-N 3.1Å; V685-R687 PolarHBondContact O-N 2.81Å
686	K	26.5	Very low	32	Very low	192 Å²	192	124.9 Å²	124.9	84%	0.835	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-52.5	131.2	170	-66.2	-179	179.9	177	0	110.7	V684	V684-K686 PolarHBondContact O-N 2.96Å
687	R	26.3	Very low	31.3	Very low	219 Å²	219	132.5 Å²	132.5	83%	0.826	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-85.9	130.9	164.7	-75.7	-179.1	171.9	173.6	-1.6	108.7	V685	V685-R687 PolarHBondContact O-N 2.81Å
688	Q	26.8	Very low	30.7	Very low	185 Å²	185	136.5 Å²	136.5	86%	0.864	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-71.2	147.4	163.1	-73.2	-166.9	-0.8	0	0	110.3
689	P	30.3	Very low	30.4	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-73	134.8	180	29.7	-34.4	0	0	0	111.6	N691	P689-N691 PolarHBondContact O-N 2.96Å
690	K	26.5	Very low	29.8	Very low	207 Å²	207	148.2 Å²	148.2	90%	0.9	72%	0.716	S	S	*	*			trans	-76.4	114	170.2	-71.5	-174.8	175.4	-174.4	0	109.8
691	N	32.6	Very low	29.4	Very low	165 Å²	165	151 Å²	151	88%	0.882	75%	0.752	S	S	*	*			trans	-109.7	145.6	164	-104	-20.7	0	0	0	111.2	P689	P689-N691 PolarHBondContact O-N 2.96Å
692	K	27	Very low	29	Very low	200 Å²	200	151 Å²	151	87%	0.87	76%	0.759	S	S	*	*			trans	-100.3	134.5	-168.2	-58.4	172.2	-178.2	173.6	0	112.4
693	R	31.9	Very low	28.9	Very low	239 Å²	239	155.1 Å²	155.1	90%	0.902	79%	0.788	S	S	*	*			trans	-165.5	128.6	148.9	-94.6	147.3	-165.6	-145.1	2.8	105.4
694	R	26.9	Very low	28.9	Very low	229 Å²	229	157.1 Å²	157.1	86%	0.864	80%	0.804	S	S	*	*				56	126.4	73.2	-79.9	-167.7	166.2	-176.2	-3.1	111.3
695	I	27.2	Very low	28.7	Very low	128 Å²	128	162.9 Å²	162.9	66%	0.656	81%	0.812	S	S	*	*			cis	-164.6	167.5	6.5	-135.6	169.4	0	0	0	113.8
696	L	28.9	Very low	28.8	Very low	135 Å²	135	169.1 Å²	169.1	71%	0.707	83%	0.832	S	S	*	*			trans	34.8	111.9	165	-74.4	121.4	0	0	0	124.1
697	F	27.5	Very low	28.9	Very low	194 Å²	194	169.4 Å²	169.4	85%	0.851	83%	0.833	S	S	*	*				48.9	126	115.5	-71.3	-75	0	0	0	125.6
698	S	28.8	Very low	29.2	Very low	94 Å²	94	166.9 Å²	166.9	66%	0.657	84%	0.836	S	S	*	*				108.7	103.8	119.3	-172.2	0	0	0	0	123.3
699	K	29.2	Very low	29.1	Very low	179 Å²	179	167.7 Å²	167.7	78%	0.778	84%	0.837	S	S	*	*			trans	78	135.9	132.4	-74.2	-177.6	178.9	-180	0	123.9
700	Q	29.4	Very low	29	Very low	189 Å²	189	167.9 Å²	167.9	88%	0.883	84%	0.838	S	S	*	*			trans	75.3	143.9	146.6	-72.8	169.2	-14.1	0	0	119.6
701	G	30.6	Very low	29.1	Very low	82 Å²	82	164.3 Å²	164.3	85%	0.845	83%	0.834	S	S	*	*			trans	131.1	105.4	178.6	0	0	0	0	0	113.4
702	G	27	Very low	28.9	Very low	76 Å²	76	162.8 Å²	162.8	78%	0.784	83%	0.83	S	S	*	*			trans	-91	-168.5	175	0	0	0	0	0	113.9
703	P	32.4	Very low	28.9	Very low	127 Å²	127	160 Å²	160	83%	0.825	82%	0.824	S	S	*	*				-114.4	155.9	-110.7	38.3	-34.2	0	0	0	115
704	S	29.3	Very low	28.6	Very low	128 Å²	128	156.6 Å²	156.6	90%	0.895	82%	0.824	S	S	*	*			trans	-155.8	148.6	160.1	-91.1	0	0	0	0	113.2
705	R	28.4	Very low	28.6	Very low	253 Å²	253	149.4 Å²	149.4	96%	0.955	81%	0.814	S	S	*	*			trans	-79.6	131.2	-174.7	-64	171.2	173	168.9	-4.4	111.7
706	K	32.5	Very low	28.7	Very low	213 Å²	213	150.1 Å²	150.1	93%	0.926	82%	0.817	S	S	*	*			trans	-149.9	154.6	147.7	-110.1	163.4	-173.1	176.7	0	110.1
707	K	27.6	Very low	28.6	Very low	199 Å²	199	148.4 Å²	148.4	87%	0.865	82%	0.823	S	S	*	*			trans	-79	138.9	-172.5	-58	170.9	-179.8	176.2	0	110
708	D	32.1	Very low	28.7	Very low	165 Å²	165	142.5 Å²	142.5	88%	0.882	80%	0.798	S	S	*	*			trans	-163.4	162.1	139.7	-108.4	-38.1	0	0	0	112.4
709	K	25.5	Very low	29	Very low	203 Å²	203	141.2 Å²	141.2	88%	0.883	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-87	131.2	-171.8	-67.8	176.1	177.2	176.2	0	113.4
710	P	27.5	Very low	29.2	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-97.9	152	157.8	1.8	19.1	0	0	0	112.1
711	T	28.7	Very low	29.4	Very low	133 Å²	133	134 Å²	134	82%	0.816	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-72.4	133.9	178.2	47	0	0	0	0	113.5	L713	T711-L713 PolarHBondContact O-N 3.43Å
712	T	28.8	Very low	29.8	Very low	133 Å²	133	133.3 Å²	133.3	82%	0.816	74%	0.737	S	S	*	*			trans	-75.8	87.5	173.4	27.3	0	0	0	0	113
713	L	26	Very low	30.1	Very low	142 Å²	142	133.6 Å²	133.6	74%	0.743	72%	0.724	S	S	*	*			trans	-100.9	159.8	141.2	-93	75.2	0	0	0	108.8	T711	T711-L713 PolarHBondContact O-N 3.43Å
714	D	26.4	Very low	30.3	Very low	166 Å²	166	133.1 Å²	133.1	89%	0.888	71%	0.711	S	S	*	*	S	Bend	trans	63.3	42.2	169.7	-58.9	-26.7	0	0	0	117.9
715	A	26.2	Very low	30.7	Very low	79 Å²	79	133 Å²	133	65%	0.653	69%	0.691	S	S	*	*			trans	-145.6	37.9	175.5	0	0	0	0	0	116.8
716	I	29.1	Very low	31	Very low	143 Å²	143	127.7 Å²	127.7	73%	0.733	68%	0.677	S	S	*	*			trans	-131.7	113.1	166	-62.1	-176.8	0	0	0	111.2	M718	I716-M718 HydrophobicContact CG2-CB 4.24Å; I716-M718 HydrophobicContact CG2-CG 3.78Å; I716-M718 HydrophobicContact CG2-SD 3.57Å; I716-M718 VanDerWaalsContact CG2-SD 3.57Å
717	A	27.5	Very low	31.3	Very low	99 Å²	99	122 Å²	122	82%	0.818	66%	0.66	S	S	*	*			trans	-127.9	99.9	153	0	0	0	0	0	105.8
718	M	30.1	Very low	31.8	Very low	69 Å²	69	116.7 Å²	116.7	34%	0.34	65%	0.653	S	S	.	*			trans	-103.2	142.3	179.4	-79.9	160.2	80.8	0	0	109.4	I716 E722 V723 E726	I716-M718 HydrophobicContact CG2-CB 4.24Å; I716-M718 HydrophobicContact CG2-CG 3.78Å; I716-M718 HydrophobicContact CG2-SD 3.57Å; I716-M718 VanDerWaalsContact CG2-SD 3.57Å; M718-E722 HydrophobicContact CB-CB 3.74Å; M718-E722 HydrophobicContact CB-CG 4.34Å; M718-E722 HydrophobicContact CE-CB 3.83Å; M718-E722 HydrophobicContact CE-CG 4.46Å; M718-E722 HydrophobicContact CG-CB 3.85Å; M718-E722 HydrophobicContact CG-CG 4.07Å; M718-V723 HydrophobicContact CB-CG2 4.4Å; M718-V723 HydrophobicContact CE-CG2 4.24Å; M718-E726 HydrophobicContact CE-CG 4.17Å; M718-E726 WeakPolarHBondContact CE-OE2 3.28Å
719	T	35.4	Very low	31.9	Very low	67 Å²	67	112.3 Å²	112.3	41%	0.411	64%	0.64	S	S	.	*			trans	-69.5	165.5	167.5	63.4	0	0	0	0	110.5	E721 E722 V723	T719-E721 PolarHBondContact O-N 3.45Å; T719-E721 PolarHBondContact OG1-N 3.38Å; T719-E722 WeakPolarHBondContact CB-OE2 3.41Å; T719-E722 WeakPolarHBondContact CG2-OE2 3.4Å; T719-E722 PolarHBondContact N-OE2 3.33Å; T719-E722 VanDerWaalsContact N-OE2 3.16Å; T719-E722 PolarHBondContact O-N 3.36Å; T719-E722 VanDerWaalsContact OG1-CD 3.27Å; T719-E722 PolarHBondContact OG1-N 3.12Å; T719-E722 PolarHBondContact OG1-OE2 2.84Å; T719-V723 PolarHBondContact O-N 2.93Å
720	V	32.2	Very low	32.3	Very low	107 Å²	107	106.9 Å²	106.9	65%	0.648	63%	0.632	S	S	*	*	H	α-helix	trans	-58.8	-33.1	171.5	178	0	0	0	0	110.7	V723 Q724	V720-V723 PolarHBondContact O-N 3.07Å; V720-Q724 PolarHBondContact O-N 2.91Å
721	E	34.5	Very low	32.6	Very low	110 Å²	110	107.4 Å²	107.4	51%	0.514	64%	0.636	S	S	.	*	H	α-helix	trans	-69	-39.2	177.7	-49.7	177.4	171.1	0	0	112.7	T719 V723 Q724 R725	T719-E721 PolarHBondContact O-N 3.45Å; T719-E721 PolarHBondContact OG1-N 3.38Å; E721-V723 VanDerWaalsContact C-N 3.28Å; E721-V723 PolarHBondContact O-N 3.1Å; E721-Q724 PolarHBondContact O-N 2.84Å; E721-Q724 VanDerWaalsContact O-N 3.14Å; E721-R725 WeakPolarHBondContact O-CG 3.37Å; E721-R725 PolarHBondContact O-N 2.93Å; E721-R725 IonicContact OE2-CZ 3.83Å; E721-R725 IonicContact OE2-NH1 2.67Å; E721-R725 IonicContact OE2-NH2 2.73Å; E721-R725 PolarHBondContact OE2-NH2 3.47Å
722	E	37.8	Very low	32.6	Very low	67 Å²	67	110.3 Å²	110.3	31%	0.313	64%	0.64	S	S	.	*	H	α-helix	trans	-57.2	-42.8	174.7	-106.6	79.7	-113.1	0	0	111.8	M718 T719 Q724 R725 E726	M718-E722 HydrophobicContact CB-CB 3.74Å; M718-E722 HydrophobicContact CB-CG 4.34Å; M718-E722 HydrophobicContact CE-CB 3.83Å; M718-E722 HydrophobicContact CE-CG 4.46Å; M718-E722 HydrophobicContact CG-CB 3.85Å; M718-E722 HydrophobicContact CG-CG 4.07Å; T719-E722 WeakPolarHBondContact CB-OE2 3.41Å; T719-E722 WeakPolarHBondContact CG2-OE2 3.4Å; T719-E722 PolarHBondContact N-OE2 3.33Å; T719-E722 VanDerWaalsContact N-OE2 3.16Å; T719-E722 PolarHBondContact O-N 3.36Å; T719-E722 VanDerWaalsContact OG1-CD 3.27Å; T719-E722 PolarHBondContact OG1-N 3.12Å; T719-E722 PolarHBondContact OG1-OE2 2.84Å; E722-Q724 VanDerWaalsContact C-N 3.25Å; E722-Q724 PolarHBondContact O-N 3Å; E722-R725 PolarHBondContact O-N 3.23Å; E722-R725 IonicContact OE1-NH1 3.42Å; E722-R725 PolarHBondContact OE1-NH1 3.14Å; E722-E726 PolarHBondContact O-N 2.84Å
723	V	34.8	Very low	32.7	Very low	82 Å²	82	107.5 Å²	107.5	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-66	-31.2	180	-179.5	0	0	0	0	111.2	M718 T719 V720 E721 V727	M718-V723 HydrophobicContact CB-CG2 4.4Å; M718-V723 HydrophobicContact CE-CG2 4.24Å; T719-V723 PolarHBondContact O-N 2.93Å; V720-V723 PolarHBondContact O-N 3.07Å; E721-V723 VanDerWaalsContact C-N 3.28Å; E721-V723 PolarHBondContact O-N 3.1Å; V723-V727 VanDerWaalsContact O-CG2 3.32Å; V723-V727 WeakPolarHBondContact O-CG2 3.21Å
724	Q	34.9	Very low	33.1	Very low	118 Å²	118	107.4 Å²	107.4	55%	0.551	65%	0.645	S	S	*	*	H	α-helix	trans	-77.4	-33.1	174	-68.7	172.9	-37	0	0	112.2	V720 E721 E722 A728	V720-Q724 PolarHBondContact O-N 2.91Å; E721-Q724 PolarHBondContact O-N 2.84Å; E721-Q724 VanDerWaalsContact O-N 3.14Å; E722-Q724 VanDerWaalsContact C-N 3.25Å; E722-Q724 PolarHBondContact O-N 3Å; Q724-A728 PolarHBondContact O-N 3.48Å
725	R	38.1	Very low	33.2	Very low	125 Å²	125	103 Å²	103	47%	0.472	64%	0.639	S	S	.	*	H	α-helix	trans	-69.3	-46.1	175.9	-69.9	173.6	-166.1	119.5	11.2	112.9	E721 E722 V727 A728 A729	E721-R725 WeakPolarHBondContact O-CG 3.37Å; E721-R725 PolarHBondContact O-N 2.93Å; E721-R725 IonicContact OE2-CZ 3.83Å; E721-R725 IonicContact OE2-NH1 2.67Å; E721-R725 IonicContact OE2-NH2 2.73Å; E721-R725 PolarHBondContact OE2-NH2 3.47Å; E722-R725 PolarHBondContact O-N 3.23Å; E722-R725 IonicContact OE1-NH1 3.42Å; E722-R725 PolarHBondContact OE1-NH1 3.14Å; R725-V727 VanDerWaalsContact C-N 3.28Å; R725-V727 PolarHBondContact O-N 3.46Å; R725-A728 PolarHBondContact O-N 2.77Å; R725-A729 VanDerWaalsContact O-CB 3.28Å; R725-A729 WeakPolarHBondContact O-CB 3.43Å; R725-A729 PolarHBondContact O-N 3.37Å; R725-A729 VanDerWaalsContact O-N 3.15Å
726	E	35.9	Very low	33.5	Very low	142 Å²	142	104.6 Å²	104.6	66%	0.664	65%	0.652	S	S	*	*	H	α-helix	trans	-64.1	-32.7	-179.9	-75.5	-158.5	142.1	0	0	112.8	M718 E722 A728	M718-E726 HydrophobicContact CE-CG 4.17Å; M718-E726 WeakPolarHBondContact CE-OE2 3.28Å; E722-E726 PolarHBondContact O-N 2.84Å; E726-A728 PolarHBondContact O-N 3.38Å
727	V	38.8	Very low	33.6	Very low	94 Å²	94	101.2 Å²	101.2	57%	0.57	65%	0.653	S	S	*	*	H	α-helix	trans	-70	-20.4	174.8	172.7	0	0	0	0	112.5	V723 R725 P770	V723-V727 VanDerWaalsContact O-CG2 3.32Å; V723-V727 WeakPolarHBondContact O-CG2 3.21Å; R725-V727 VanDerWaalsContact C-N 3.28Å; R725-V727 PolarHBondContact O-N 3.46Å; V727-P770 HydrophobicContact CG1-CG 3.64Å
728	A	36.7	Very low	34.1	Very low	87 Å²	87	101.7 Å²	101.7	72%	0.719	65%	0.647	S	S	*	*	H	α-helix	trans	-100.9	-5.5	179.9	0	0	0	0	0	114.6	Q724 R725 E726	Q724-A728 PolarHBondContact O-N 3.48Å; R725-A728 PolarHBondContact O-N 2.77Å; E726-A728 PolarHBondContact O-N 3.38Å
729	A	34.1	Very low	34	Very low	73 Å²	73	107.6 Å²	107.6	60%	0.603	67%	0.674	S	S	*	*			trans	-113.3	15.8	-166.3	0	0	0	0	0	115.7	R725	R725-A729 VanDerWaalsContact O-CB 3.28Å; R725-A729 WeakPolarHBondContact O-CB 3.43Å; R725-A729 PolarHBondContact O-N 3.37Å; R725-A729 VanDerWaalsContact O-N 3.15Å
730	A	34.2	Very low	33.7	Very low	88 Å²	88	107.8 Å²	107.8	73%	0.727	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-74.6	134.3	178	0	0	0	0	0	111.9
731	P	35.3	Very low	33.7	Very low	131 Å²	131	110.5 Å²	110.5	85%	0.851	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-85.8	155.9	-161.8	-11.4	30.1	0	0	0	115.4
732	Q	28.2	Very low	33.4	Very low	195 Å²	195	111 Å²	111	91%	0.911	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-103.7	144.1	171.5	-65.1	-174.2	4.1	0	0	113.1
733	G	31.6	Very low	33.3	Very low	74 Å²	74	115 Å²	115	76%	0.763	73%	0.733	S	S	*	*			trans	79.1	-180	161.4	0	0	0	0	0	117.3
734	P	33.5	Very low	33	Very low	139 Å²	139	115.6 Å²	115.6	90%	0.903	75%	0.747	S	S	*	*			cis	-115.7	-173.8	-13.5	38.4	-24.2	0	0	0	112.6
735	G	27.7	Very low	32.8	Very low	73 Å²	73	113.5 Å²	113.5	75%	0.753	76%	0.757	S	S	*	*			trans	-113.9	-150.6	-176.5	0	0	0	0	0	115.9
736	A	32.5	Very low	32.5	Very low	113 Å²	113	119.2 Å²	119.2	93%	0.934	78%	0.779	S	S	*	*			trans	90.1	148.6	-171.5	0	0	0	0	0	116
737	G	31.2	Very low	32.4	Very low	73 Å²	73	120 Å²	120	75%	0.753	79%	0.787	S	S	*	*			trans	-102.6	-138.6	-170	0	0	0	0	0	114.3
738	P	37.7	Very low	32.4	Very low	108 Å²	108	120.2 Å²	120.2	70%	0.701	79%	0.791	S	S	*	*			cis	-136.3	-178.8	24.2	43.4	-26.2	0	0	0	117.2
739	E	28.3	Very low	32.2	Very low	194 Å²	194	121.2 Å²	121.2	91%	0.907	79%	0.793	S	S	*	*			trans	63	143.2	146.9	-78.3	162.8	-152.1	0	0	123.7
740	G	30.3	Very low	32.1	Very low	70 Å²	70	125.3 Å²	125.3	72%	0.722	80%	0.803	S	S	*	*			trans	142.9	69.8	161.1	0	0	0	0	0	119
741	N	30.9	Very low	32	Very low	165 Å²	165	126.4 Å²	126.4	88%	0.882	80%	0.802	S	S	*	*			trans	32.1	142.8	133.6	-68.8	-9.8	0	0	0	120.9
742	V	30	Very low	31.5	Very low	120 Å²	120	129.5 Å²	129.5	73%	0.727	81%	0.806	S	S	*	*			cis	-173	166.6	3.6	80.6	0	0	0	0	106.7
743	L	33.8	Very low	31.6	Very low	150 Å²	150	123.6 Å²	123.6	79%	0.785	80%	0.797	S	S	*	*			cis	-127.9	164.5	-6.6	-80.2	163.7	0	0	0	106.2
744	A	29	Very low	31.4	Very low	96 Å²	96	128.9 Å²	128.9	79%	0.793	80%	0.801	S	S	*	*			cis	98.9	105.5	18.3	0	0	0	0	0	116.8
745	G	31.8	Very low	31	Very low	74 Å²	74	130.8 Å²	130.8	76%	0.763	80%	0.803	S	S	*	*			trans	140.3	139	162.6	0	0	0	0	0	115.7
746	R	32.2	Very low	31	Very low	245 Å²	245	132.1 Å²	132.1	93%	0.925	80%	0.801	S	S	*	*			cis	-165.5	94.8	-12	-146.2	-179	-163.9	-175.5	4.8	114.7
747	N	31.9	Very low	30.7	Very low	158 Å²	158	138.1 Å²	138.1	85%	0.845	80%	0.799	S	S	*	*			trans	61.9	177.3	140.3	-116.3	23.7	0	0	0	121.5
748	P	39	Very low	30.5	Very low	99 Å²	99	143.5 Å²	143.5	64%	0.643	81%	0.807	S	S	*	*				-143.3	172.2	-120.2	43.4	-21.6	0	0	0	119.9
749	S	32.5	Very low	30	Very low	108 Å²	108	149.5 Å²	149.5	76%	0.755	82%	0.816	S	S	*	*			trans	-177.5	135.4	149.6	10.7	0	0	0	0	108
750	I	31.8	Very low	29.9	Very low	159 Å²	159	145 Å²	145	82%	0.815	81%	0.812	S	S	*	*				73.4	130.7	54.7	-60.9	171.4	0	0	0	112
751	P	32.1	Very low	29.7	Very low	111 Å²	111	147.2 Å²	147.2	72%	0.721	82%	0.816	S	S	*	*			cis	-125.6	-178.9	1.1	37.4	-19	0	0	0	116.6
752	E	26.4	Very low	29.4	Very low	196 Å²	196	144.4 Å²	144.4	92%	0.916	82%	0.816	S	S	*	*			trans	-6.1	133.8	158.5	-57.4	175.3	141.1	0	0	120.4
753	G	30	Very low	29.2	Very low	70 Å²	70	149.7 Å²	149.7	72%	0.722	82%	0.823	S	S	*	*			trans	161.9	33.3	169.8	0	0	0	0	0	118.1
754	Q	27.2	Very low	28.9	Very low	185 Å²	185	151.4 Å²	151.4	86%	0.864	83%	0.827	S	S	*	*			trans	-159.6	78	179.2	-126.4	155.3	104.7	0	0	115.1	S756	Q754-S756 PolarHBondContact O-N 2.61Å
755	L	25.2	Very low	28.7	Very low	180 Å²	180	153.7 Å²	153.7	94%	0.942	83%	0.831	S	S	*	*			trans	-85.9	57.4	178	-149.2	144.1	0	0	0	111.7
756	S	26.4	Very low	28.4	Very low	100 Å²	100	158.4 Å²	158.4	70%	0.699	83%	0.834	S	S	*	*			trans	-165.1	139.8	174.6	-86.8	0	0	0	0	112.3	Q754	Q754-S756 PolarHBondContact O-N 2.61Å
757	R	27.2	Very low	28	Very low	239 Å²	239	152.5 Å²	152.5	90%	0.902	83%	0.83	S	S	*	*			trans	77.1	74.1	175.7	-55.2	175.8	169.5	172.6	-2.5	118.8
758	M	26.9	Very low	27.7	Very low	187 Å²	187	151.2 Å²	151.2	92%	0.921	83%	0.827	S	S	*	*			trans	-129.2	125.3	135.7	-72.2	-168.2	-76.9	0	0	107.7
759	R	26.6	Very low	26.9	Very low	233 Å²	233	150 Å²	150	88%	0.879	83%	0.826	S	S	*	*				66.6	97.4	51.2	-73.7	-168.3	169.5	176	-0.1	114.5
760	A	26.1	Very low	26.5	Very low	101 Å²	101	147.9 Å²	147.9	84%	0.835	81%	0.809	S	S	*	*	S	Bend		42.2	136.5	129.3	0	0	0	0	0	121.2
761	S	25.7	Very low	26.1	Very low	115 Å²	115	146 Å²	146	80%	0.804	81%	0.805	S	S	*	*			trans	80.5	57.6	160.3	-166.3	0	0	0	0	118.1
762	A	26	Very low	25.6	Very low	107 Å²	107	145.8 Å²	145.8	88%	0.884	80%	0.801	S	S	*	*			trans	-97.2	94.2	149.4	0	0	0	0	0	109.8
763	R	25.4	Very low	25.5	Very low	231 Å²	231	143.9 Å²	143.9	87%	0.872	80%	0.796	S	S	*	*			trans	-86.7	109.6	164.3	-82.7	-177.2	172	-178	-2.8	108.5
764	Q	28.3	Very low	25.3	Very low	186 Å²	186	143.9 Å²	143.9	87%	0.869	79%	0.789	S	S	*	*			trans	-122.7	120.5	152.3	-80.8	-169.9	-14.1	0	0	109	Q766	Q764-Q766 PolarHBondContact O-N 3.07Å
765	T	24.3	Very low	25.2	Very low	143 Å²	143	141.3 Å²	141.3	88%	0.877	79%	0.786	S	S	*	*			trans	-84.4	98.1	178.4	45.2	0	0	0	0	109.5
766	Q	26	Very low	25.3	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	78%	0.78	S	S	*	*			trans	-91.2	129	155.8	-72.9	-171.7	-8	0	0	109	Q764 V768	Q764-Q766 PolarHBondContact O-N 3.07Å; Q766-V768 PolarHBondContact O-N 3.03Å; Q766-V768 VanDerWaalsContact O-N 3.08Å
767	S	23.1	Very low	25.3	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	78%	0.779	S	S	*	*			trans	-79.7	86.6	-179	52.4	0	0	0	0	110.5	A769	S767-A769 PolarHBondContact O-N 2.9Å
768	V	25	Very low	25.3	Very low	130 Å²	130	132.2 Å²	132.2	79%	0.788	77%	0.772	S	S	*	*			trans	-68.2	103.9	168	-177	0	0	0	0	108	Q766	Q766-V768 PolarHBondContact O-N 3.03Å; Q766-V768 VanDerWaalsContact O-N 3.08Å
769	A	23.3	Very low	25.3	Very low	74 Å²	74	129.6 Å²	129.6	61%	0.612	77%	0.767	S	S	*	*			trans	-57.9	147.8	173.8	0	0	0	0	0	110.1	S767 V771	S767-A769 PolarHBondContact O-N 2.9Å; A769-V771 PolarHBondContact O-N 3.15Å
770	P	23.1	Very low	25.4	Very low	64 Å²	64	124.1 Å²	124.1	42%	0.416	76%	0.758	S	S	.	*			trans	-65.7	111.6	-176.2	26	-32.8	0	0	0	110.2	V727 V772	V727-P770 HydrophobicContact CG1-CG 3.64Å; P770-V772 VanDerWaalsContact C-N 3.29Å; P770-V772 PolarHBondContact O-N 2.81Å
771	V	22.7	Very low	25.5	Very low	119 Å²	119	124.4 Å²	124.4	72%	0.721	75%	0.752	S	S	*	*			trans	-65.2	94.4	168.3	179.9	0	0	0	0	107.7	A769 I773	A769-V771 PolarHBondContact O-N 3.15Å; V771-I773 HydrophobicContact CG1-CG1 4.33Å; V771-I773 PolarHBondContact O-N 3.43Å
772	V	23.1	Very low	25.7	Very low	106 Å²	106	125.3 Å²	125.3	64%	0.642	75%	0.753	S	S	*	*			trans	-69.4	100.6	167.8	178.5	0	0	0	0	106.3	P770 A774	P770-V772 VanDerWaalsContact C-N 3.29Å; P770-V772 PolarHBondContact O-N 2.81Å; V772-A774 PolarHBondContact O-N 3.38Å
773	I	24.8	Very low	25.9	Very low	157 Å²	157	128.1 Å²	128.1	81%	0.805	75%	0.752	S	S	*	*			trans	-68.9	86.8	163.3	-56.3	178.8	0	0	0	106.2	V771	V771-I773 HydrophobicContact CG1-CG1 4.33Å; V771-I773 PolarHBondContact O-N 3.43Å
774	A	24.2	Very low	26	Very low	69 Å²	69	126.2 Å²	126.2	57%	0.57	75%	0.753	S	S	*	*			trans	-60.2	147.1	164.9	0	0	0	0	0	108.6	V772 A776	V772-A774 PolarHBondContact O-N 3.38Å; A774-A776 PolarHBondContact O-N 3.43Å
775	T	26	Very low	26	Very low	131 Å²	131	126.9 Å²	126.9	80%	0.804	75%	0.753	S	S	*	*			trans	-53.3	127.4	168	43.5	0	0	0	0	109.2	V777	T775-V777 PolarHBondContact O-N 3.09Å
776	A	27.5	Very low	26.3	Very low	98 Å²	98	127.3 Å²	127.3	81%	0.81	76%	0.755	S	S	*	*			trans	-62.4	103.9	-171.3	0	0	0	0	0	111.8	A774	A774-A776 PolarHBondContact O-N 3.43Å
777	V	26.5	Very low	26.2	Very low	115 Å²	115	127.9 Å²	127.9	70%	0.697	76%	0.758	S	S	*	*			trans	-75	132.7	161.7	179.8	0	0	0	0	106.9	T775 V779	T775-V777 PolarHBondContact O-N 3.09Å; V777-V779 PolarHBondContact O-N 3.41Å; V777-V779 VanDerWaalsContact O-N 3.13Å
778	P	27.2	Very low	26.6	Very low	115 Å²	115	129.2 Å²	129.2	75%	0.747	76%	0.761	S	S	*	*			trans	-64.9	114.6	176.9	26	-33.6	0	0	0	110.2	V780	P778-V780 PolarHBondContact O-N 2.77Å
779	V	27	Very low	26.6	Very low	133 Å²	133	132.4 Å²	132.4	81%	0.806	76%	0.764	S	S	*	*			trans	-86.6	104.9	177.5	179.7	0	0	0	0	109	V777	V777-V779 PolarHBondContact O-N 3.41Å; V777-V779 VanDerWaalsContact O-N 3.13Å
780	V	27.5	Very low	27.3	Very low	117 Å²	117	134.3 Å²	134.3	71%	0.709	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-81.7	128.3	169.5	-179	0	0	0	0	108.8	P778 T782	P778-V780 PolarHBondContact O-N 2.77Å; V780-T782 PolarHBondContact O-N 3.14Å
781	P	29.7	Very low	27.5	Very low	107 Å²	107	136.7 Å²	136.7	70%	0.695	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-67.4	121.9	174.7	-18.3	31.7	0	0	0	111.4
782	T	28.6	Very low	27.7	Very low	134 Å²	134	137.1 Å²	137.1	82%	0.822	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-84.6	120	170.1	46.7	0	0	0	0	110.2	V780	V780-T782 PolarHBondContact O-N 3.14Å
783	L	30.3	Very low	27.9	Very low	166 Å²	166	138.6 Å²	138.6	87%	0.869	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-60.4	139.1	168.9	-82.5	98.2	0	0	0	111.1
784	E	28.7	Very low	28	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.8	152.9	172.8	-60.1	-171.4	133.6	0	0	111.7
785	K	28.1	Very low	28.1	Very low	200 Å²	200	137.5 Å²	137.5	87%	0.87	80%	0.799	S	S	*	*			trans	-128	116.3	168.4	-74	-171.7	175.7	-176.5	0	109.5
786	T	29.9	Very low	28.1	Very low	151 Å²	151	139 Å²	139	93%	0.926	80%	0.802	S	S	*	*			trans	-69.2	154.2	175.8	9.7	0	0	0	0	112.3
787	E	24.8	Very low	28.1	Very low	186 Å²	186	138 Å²	138	87%	0.869	80%	0.802	S	S	*	*			trans	-82	139	-164.8	-51.1	178.7	108.5	0	0	115.1
788	V	30.4	Very low	28	Very low	150 Å²	150	139.7 Å²	139.7	91%	0.909	81%	0.812	S	S	*	*			trans	-142.4	150.3	145.5	-172.4	0	0	0	0	108.7
789	K	25.7	Very low	28	Very low	196 Å²	196	140.5 Å²	140.5	85%	0.852	82%	0.815	S	S	*	*			trans	-87	152.7	-163	-70.6	174.1	178.1	170.6	0	116.1
790	P	36.8	Very low	27.9	Very low	115 Å²	115	138 Å²	138	75%	0.747	81%	0.808	S	S	*	*			trans	-88	-170.6	170.4	41	-38.5	0	0	0	111.7
791	P	29.2	Very low	27.9	Very low	114 Å²	114	138.1 Å²	138.1	74%	0.74	81%	0.811	S	S	*	*				-160.9	178.4	91.7	41.4	-19.6	0	0	0	119.9
792	V	25.3	Very low	27.7	Very low	127 Å²	127	143.9 Å²	143.9	77%	0.77	82%	0.819	S	S	*	*			trans	78.2	135.6	154.8	-118	0	0	0	0	125.3
793	V	28.4	Very low	27.5	Very low	138 Å²	138	147.1 Å²	147.1	84%	0.836	82%	0.822	S	S	*	*			trans	68.9	134.8	157.9	-166.7	0	0	0	0	120
794	A	25.9	Very low	27.5	Very low	79 Å²	79	147 Å²	147	65%	0.653	82%	0.821	S	S	*	*			cis	-173.4	170.3	-35.8	0	0	0	0	0	110.9
795	V	26.4	Very low	27.4	Very low	123 Å²	123	142.4 Å²	142.4	75%	0.745	81%	0.81	S	S	*	*			trans	84.3	113.4	157.9	-169.2	0	0	0	0	119.6
796	N	25.6	Very low	27.3	Very low	163 Å²	163	139.9 Å²	139.9	87%	0.872	80%	0.801	S	S	*	*			trans	63.4	118.4	154.8	-62.2	-10.2	0	0	0	121.5
797	G	28	Very low	27	Very low	78 Å²	78	139.6 Å²	139.6	80%	0.804	80%	0.801	S	S	*	*			trans	159.5	85.7	162.4	0	0	0	0	0	115	V799	G797-V799 PolarHBondContact O-N 3.34Å
798	T	24.3	Very low	27.1	Very low	149 Å²	149	134 Å²	134	91%	0.914	78%	0.783	S	S	*	*			trans	-84.7	95	-178.5	36.7	0	0	0	0	113.9
799	V	27.8	Very low	27.1	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	78%	0.775	S	S	*	*			trans	-141.3	119.3	161.2	-176.1	0	0	0	0	110.4	G797	G797-V799 PolarHBondContact O-N 3.34Å
800	A	25.5	Very low	27.5	Very low	81 Å²	81	128.8 Å²	128.8	67%	0.669	76%	0.757	S	S	*	*			trans	-80.9	145.3	166	0	0	0	0	0	110.1	R802	A800-R802 PolarHBondContact O-N 3.46Å
801	P	25.8	Very low	27.6	Very low	118 Å²	118	125.8 Å²	125.8	77%	0.766	73%	0.734	S	S	*	*			trans	-64.4	120.6	-175.6	25.9	-34.1	0	0	0	111.2	F803	P801-F803 PolarHBondContact O-N 3.19Å
802	R	26.5	Very low	28.3	Very low	229 Å²	229	128.7 Å²	128.7	86%	0.864	74%	0.744	S	S	*	*			trans	-73.3	113.5	170.2	-71.7	179.8	174	173.5	-2.4	108.9	A800 I804	A800-R802 PolarHBondContact O-N 3.46Å; R802-I804 PolarHBondContact O-N 3.29Å
803	F	25	Very low	29.7	Very low	202 Å²	202	125.4 Å²	125.4	89%	0.886	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-59.7	128.2	159.7	-80.1	-98.8	0	0	0	108.5	P801	P801-F803 PolarHBondContact O-N 3.19Å
804	I	28.8	Very low	31.1	Very low	163 Å²	163	124.8 Å²	124.8	84%	0.836	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-87.5	121.3	-178.3	-64.5	175.8	0	0	0	108.4	R802	R802-I804 PolarHBondContact O-N 3.29Å
805	S	26.2	Very low	33.4	Very low	95 Å²	95	123.1 Å²	123.1	66%	0.664	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-76.1	142.9	170.3	43.3	0	0	0	0	111.7
806	E	26.1	Very low	35.9	Very low	148 Å²	148	118 Å²	118	69%	0.692	67%	0.665	S	S	*	*			trans	56.2	123.8	154.9	-63.1	174.1	-165.5	0	0	119	S808	E806-S808 PolarHBondContact O-N 3.24Å
807	P	24.9	Very low	38.2	Very low	144 Å²	144	112.8 Å²	112.8	94%	0.935	64%	0.64	S	S	*	*	S	Bend	trans	-78.5	64.6	171.6	35	-35.5	0	0	0	111.4
808	S	27.1	Very low	40.8	Very low	69 Å²	69	109.3 Å²	109.3	48%	0.483	60%	0.603	S	S	.	*			trans	-125.8	-0.3	-174.1	62.2	0	0	0	0	114.9	E806	E806-S808 PolarHBondContact O-N 3.24Å
809	H	29.3	Very low	43	Very low	158 Å²	158	108 Å²	108	73%	0.731	59%	0.587	S	S	*	*			trans	-130.7	68.8	-172.8	-72.5	-4.1	0	0	0	113.4
810	V	34	Very low	45.5	Very low	79 Å²	79	104.1 Å²	104.1	48%	0.479	57%	0.565	S	S	.	*			trans	-142.2	117.6	179.3	177.6	0	0	0	0	105.6
811	L	39.2	Very low	48.1	Very low	52 Å²	52	102.1 Å²	102.1	27%	0.272	54%	0.543	S	S	.	.			cis	-136.4	164.6	-5.4	-77.3	145.3	0	0	0	111.4	F813 K877 E880	L811-F813 HydrophobicContact CB-CD1 3.87Å; L811-F813 HydrophobicContact CB-CE1 3.48Å; L811-F813 VanDerWaalsContact CB-CE1 3.48Å; L811-F813 HydrophobicContact CB-CZ 4.16Å; L811-F813 HydrophobicContact CD1-CE1 3.65Å; L811-F813 HydrophobicContact CD1-CZ 4.06Å; L811-F813 HydrophobicContact CD2-CD1 4.32Å; L811-F813 HydrophobicContact CD2-CE1 3.93Å; L811-F813 HydrophobicContact CG-CD1 4.46Å; L811-F813 HydrophobicContact CG-CE1 3.8Å; L811-K877 HydrophobicContact CD1-CB 3.71Å; L811-K877 HydrophobicContact CD1-CD 4.38Å; L811-K877 HydrophobicContact CD1-CG 3.59Å; L811-K877 HydrophobicContact CD2-CD 3.62Å; L811-K877 VanDerWaalsContact CD2-CE 3.49Å; L811-K877 HydrophobicContact CD2-CG 3.68Å; L811-K877 HydrophobicContact CG-CG 4.23Å; L811-E880 HydrophobicContact CD1-CB 4.39Å; L811-E880 HydrophobicContact CD1-CG 4.41Å
812	N	43.4	Very low	50.8	Low	175 Å²	175	96.5 Å²	96.5	94%	0.936	51%	0.506	S	S	*	.			trans	-129.2	73.3	-178.9	-129.5	-5.3	0	0	0	110.8
813	F	55	Low	53.5	Low	58 Å²	58	88.5 Å²	88.5	25%	0.254	48%	0.48	S	S	.	.			trans	-138.9	153.5	173	54.5	-108.7	0	0	0	112	L811 L815 I837 F840 I881	L811-F813 HydrophobicContact CB-CD1 3.87Å; L811-F813 HydrophobicContact CB-CE1 3.48Å; L811-F813 VanDerWaalsContact CB-CE1 3.48Å; L811-F813 HydrophobicContact CB-CZ 4.16Å; L811-F813 HydrophobicContact CD1-CE1 3.65Å; L811-F813 HydrophobicContact CD1-CZ 4.06Å; L811-F813 HydrophobicContact CD2-CD1 4.32Å; L811-F813 HydrophobicContact CD2-CE1 3.93Å; L811-F813 HydrophobicContact CG-CD1 4.46Å; L811-F813 HydrophobicContact CG-CE1 3.8Å; F813-L815 HydrophobicContact CD2-CD2 3.92Å; F813-L815 HydrophobicContact CD2-CG 4Å; F813-L815 HydrophobicContact CE2-CD1 4.24Å; F813-L815 HydrophobicContact CE2-CD2 3.57Å; F813-L815 HydrophobicContact CE2-CG 3.75Å; F813-I837 HydrophobicContact CD2-CG2 4.19Å; F813-F840 HydrophobicContact CB-CE2 4.38Å; F813-F840 AromaticContact CD1-CE2 3.46Å; F813-F840 HydrophobicContact CD1-CE2 3.46Å; F813-F840 VanDerWaalsContact CD1-CE2 3.46Å; F813-F840 AromaticContact CD1-CZ 3.39Å; F813-F840 HydrophobicContact CD1-CZ 3.39Å; F813-F840 HydrophobicContact CD2-CE2 4.46Å; F813-F840 HydrophobicContact CE1-CE1 4.19Å; F813-F840 AromaticContact CE1-CE2 3.72Å; F813-F840 HydrophobicContact CE1-CE2 3.72Å; F813-F840 AromaticContact CE1-CZ 3.25Å; F813-F840 HydrophobicContact CE1-CZ 3.25Å; F813-F840 AromaticContact CG-CE2 3.87Å; F813-F840 HydrophobicContact CG-CE2 3.87Å; F813-F840 HydrophobicContact CG-CZ 4.24Å; F813-F840 HydrophobicContact CZ-CE2 4.38Å; F813-F840 HydrophobicContact CZ-CZ 4.05Å; F813-I881 HydrophobicContact CE2-CG1 4.44Å; F813-I881 HydrophobicContact CZ-CG1 4.16Å
814	T	58.7	Low	56.3	Low	124 Å²	124	84.5 Å²	84.5	76%	0.761	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-90	125	169.6	46.4	0	0	0	0	110.4
815	L	74.5	Confident	59.3	Low	44 Å²	44	77.2 Å²	77.2	23%	0.23	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-80.6	143.1	170.7	-69.3	173.3	0	0	0	111	F813 W833 I837 I881 F884	F813-L815 HydrophobicContact CD2-CD2 3.92Å; F813-L815 HydrophobicContact CD2-CG 4Å; F813-L815 HydrophobicContact CE2-CD1 4.24Å; F813-L815 HydrophobicContact CE2-CD2 3.57Å; F813-L815 HydrophobicContact CE2-CG 3.75Å; L815-W833 HydrophobicContact CD2-CH2 4.08Å; L815-I837 HydrophobicContact CD2-CD1 3.67Å; L815-I837 HydrophobicContact CD2-CG1 4.05Å; L815-I837 HydrophobicContact CD2-CG2 3.9Å; L815-I881 HydrophobicContact CD2-CG1 4.27Å; L815-F884 HydrophobicContact CB-CE1 4.43Å; L815-F884 HydrophobicContact CB-CZ 4.44Å; L815-F884 HydrophobicContact CD1-CB 3.78Å; L815-F884 HydrophobicContact CD1-CD1 3.55Å; L815-F884 HydrophobicContact CD1-CD2 3.72Å; L815-F884 HydrophobicContact CD1-CE1 4.02Å; L815-F884 HydrophobicContact CD1-CE2 4.19Å; L815-F884 HydrophobicContact CD1-CG 3.37Å; L815-F884 HydrophobicContact CD1-CZ 4.32Å
816	P	77.7	Confident	62.2	Low	17 Å²	17	74.8 Å²	74.8	11%	0.11	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-69.4	157.9	170.5	29.6	-32	0	0	0	110.8	W833 R836 I837	P816-W833 HydrophobicContact CG-CD2 4.3Å; P816-W833 HydrophobicContact CG-CZ2 3.9Å; P816-W833 WeakPolarHBondContact O-CZ2 3.46Å; P816-R836 HydrophobicContact CB-CB 4.14Å; P816-R836 HydrophobicContact CG-CB 3.91Å; P816-I837 HydrophobicContact CG-CG1 4.15Å
817	P	74.6	Confident	65.1	Low	53 Å²	53	71 Å²	71	34%	0.344	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62.3	155	176.7	27.8	-35.5	0	0	0	111.9	W833	P817-W833 PolarHBondContact O-NE1 3.36Å
818	V	81.4	Confident	68.1	Low	4 Å²	4	68.1 Å²	68.1	2%	0.024	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-97	107.7	175.2	173.8	0	0	0	0	107.7	S820 P822 W825 W833 F884 L885 T888 Y892	V818-S820 WeakPolarHBondContact CG1-O 3.11Å; V818-P822 HydrophobicContact CG1-CB 4.47Å; V818-P822 HydrophobicContact CG1-CG 4.23Å; V818-W825 HydrophobicContact CG1-CH2 4.14Å; V818-W825 HydrophobicContact CG1-CZ2 3.81Å; V818-W825 HydrophobicContact CG2-CH2 4.28Å; V818-W833 HydrophobicContact CG2-CZ2 4.06Å; V818-F884 HydrophobicContact CG2-CE1 3.52Å; V818-F884 HydrophobicContact CG2-CZ 3.93Å; V818-L885 HydrophobicContact CG2-CD2 3.99Å; V818-T888 HydrophobicContact CB-CG2 3.84Å; V818-T888 HydrophobicContact CG1-CG2 3.8Å; V818-T888 HydrophobicContact CG2-CG2 4.01Å; V818-Y892 HydrophobicContact CG1-CE2 4.27Å
819	E	72.2	Confident	71.1	Confident	123 Å²	123	69 Å²	69	58%	0.575	37%	0.371	S	S	*	.			trans	-88	-15.3	-167	-73	156.7	179.7	0	0	113.8	R836	E819-R836 VanDerWaalsContact CD-NH1 3.25Å; E819-R836 IonicContact OE1-CZ 2.86Å; E819-R836 IonicContact OE1-NH1 3.11Å; E819-R836 PolarHBondContact OE1-NH1 3.08Å; E819-R836 VanDerWaalsContact OE1-NH1 3.1Å; E819-R836 IonicContact OE1-NH2 2.85Å; E819-R836 PolarHBondContact OE1-NH2 3.45Å; E819-R836 IonicContact OE2-CZ 3.67Å; E819-R836 IonicContact OE2-NH1 3.22Å; E819-R836 PolarHBondContact OE2-NH1 3.05Å; E819-R836 IonicContact OE2-NH2 2.7Å
820	S	79.6	Confident	74.1	Confident	50 Å²	50	61.4 Å²	61.4	35%	0.35	34%	0.337	S	S	.	.	S	Bend	trans	-152	170.3	175.4	60.9	0	0	0	0	109.9	V818 P822 W825	V818-S820 WeakPolarHBondContact CG1-O 3.11Å; S820-P822 WeakPolarHBondContact O-CD 3.46Å; S820-P822 VanDerWaalsContact O-N 3.15Å; S820-W825 PolarHBondContact OG-NE1 3.2Å
821	N	79.6	Confident	76.7	Confident	39 Å²	39	58.2 Å²	58.2	21%	0.209	32%	0.317	C	S	.	.			trans	-58	115.7	-179.9	175.8	4.7	0	0	0	111.3	L823 N824 F889	N821-L823 PolarHBondContact O-N 3.47Å; N821-L823 WeakPolarHBondContact OD1-CB 3.41Å; N821-L823 PolarHBondContact OD1-N 2.99Å; N821-N824 PolarHBondContact O-N 3.29Å; N821-F889 WeakPolarHBondContact OD1-CD2 3.43Å
822	P	83.3	Confident	79.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-70.7	-14.4	-174.3	29.8	-35.5	0	0	0	113.8	V818 S820 N824 W825 G855 M859 L885 F889	V818-P822 HydrophobicContact CG1-CB 4.47Å; V818-P822 HydrophobicContact CG1-CG 4.23Å; S820-P822 WeakPolarHBondContact O-CD 3.46Å; S820-P822 VanDerWaalsContact O-N 3.15Å; P822-N824 PolarHBondContact O-N 3.38Å; P822-W825 HydrophobicContact CB-CD2 3.94Å; P822-W825 HydrophobicContact CB-CE3 3.95Å; P822-W825 HydrophobicContact CB-CH2 4.17Å; P822-W825 HydrophobicContact CB-CZ2 4.16Å; P822-W825 HydrophobicContact CB-CZ3 4.06Å; P822-W825 PolarHBondContact O-N 3.48Å; P822-G855 CarbonylContact O-C 3.53Å; P822-G855 VanDerWaalsContact O-CA 3.31Å; P822-G855 WeakPolarHBondContact O-CA 3.46Å; P822-M859 HydrophobicContact CB-CE 4.33Å; P822-M859 HydrophobicContact CB-SD 4.49Å; P822-M859 HydrophobicContact CG-CE 4.42Å; P822-M859 HydrophobicContact CG-SD 4.33Å; P822-L885 HydrophobicContact CB-CB 4.44Å; P822-L885 HydrophobicContact CB-CD2 4.05Å; P822-F889 HydrophobicContact CG-CB 4.23Å
823	L	82	Confident	81.4	Confident	61 Å²	61	51.7 Å²	51.7	32%	0.319	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-63.9	-31.1	170.6	-164.9	76.6	0	0	0	111.6	N821 E856 M859 F889	N821-L823 PolarHBondContact O-N 3.47Å; N821-L823 WeakPolarHBondContact OD1-CB 3.41Å; N821-L823 PolarHBondContact OD1-N 2.99Å; L823-E856 HydrophobicContact CD1-CB 4.24Å; L823-E856 HydrophobicContact CD1-CG 4.17Å; L823-M859 HydrophobicContact CB-CE 4.16Å; L823-M859 HydrophobicContact CD1-CE 3.92Å; L823-F889 HydrophobicContact CB-CD2 4Å; L823-F889 HydrophobicContact CB-CE2 4.04Å; L823-F889 HydrophobicContact CD2-CE2 3.81Å; L823-F889 HydrophobicContact CD2-CZ 3.93Å; L823-F889 HydrophobicContact CG-CE2 4.4Å
824	N	84.6	Confident	83.1	Confident	119 Å²	119	49 Å²	49	64%	0.636	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-90.5	-5	-175.2	-64.6	6.2	0	0	0	113.3	N821 P822 S826	N821-N824 PolarHBondContact O-N 3.29Å; P822-N824 PolarHBondContact O-N 3.38Å; N824-S826 PolarHBondContact O-N 3.09Å
825	W	91.2	Very high	84.4	Confident	10 Å²	10	45.9 Å²	45.9	4%	0.038	26%	0.26	C	S	.	.			trans	-66.5	125.2	-176.2	-71.1	-7.9	0	0	0	112	V818 S820 P822 E829 L830 W833 N854 G855 L885	V818-W825 HydrophobicContact CG1-CH2 4.14Å; V818-W825 HydrophobicContact CG1-CZ2 3.81Å; V818-W825 HydrophobicContact CG2-CH2 4.28Å; S820-W825 PolarHBondContact OG-NE1 3.2Å; P822-W825 HydrophobicContact CB-CD2 3.94Å; P822-W825 HydrophobicContact CB-CE3 3.95Å; P822-W825 HydrophobicContact CB-CH2 4.17Å; P822-W825 HydrophobicContact CB-CZ2 4.16Å; P822-W825 HydrophobicContact CB-CZ3 4.06Å; P822-W825 PolarHBondContact O-N 3.48Å; W825-E829 HydrophobicContact CB-CB 3.96Å; W825-E829 HydrophobicContact CG-CB 4.07Å; W825-L830 HydrophobicContact CE3-CD1 4.09Å; W825-L830 HydrophobicContact CZ3-CD1 4.38Å; W825-W833 HydrophobicContact CH2-CB 4.04Å; W825-W833 AromaticContact CH2-CD1 3.54Å; W825-W833 AromaticContact CH2-CD2 3.58Å; W825-W833 HydrophobicContact CH2-CD2 3.58Å; W825-W833 AromaticContact CH2-CE2 3.81Å; W825-W833 HydrophobicContact CH2-CE3 4.22Å; W825-W833 AromaticContact CH2-CG 3.45Å; W825-W833 HydrophobicContact CH2-CG 3.45Å; W825-W833 VanDerWaalsContact CH2-CG 3.45Å; W825-W833 AromaticContact CH2-NE1 3.74Å; W825-W833 HydrophobicContact CZ2-CG 4.32Å; W825-W833 HydrophobicContact CZ3-CB 3.95Å; W825-W833 AromaticContact CZ3-CD2 3.69Å; W825-W833 HydrophobicContact CZ3-CD2 3.69Å; W825-W833 AromaticContact CZ3-CE3 3.9Å; W825-W833 HydrophobicContact CZ3-CE3 3.9Å; W825-W833 AromaticContact CZ3-CG 3.71Å; W825-W833 HydrophobicContact CZ3-CG 3.71Å; W825-N854 WeakPolarHBondContact O-CB 3.35Å; W825-G855 PolarHBondContact O-N 2.62Å; W825-L885 HydrophobicContact CH2-CD2 3.78Å; W825-L885 HydrophobicContact CZ3-CD1 4.09Å; W825-L885 HydrophobicContact CZ3-CD2 3.63Å
826	S	88.7	Confident	85	Confident	44 Å²	44	49.2 Å²	49.2	31%	0.308	27%	0.27	S	S	.	.			trans	-60.1	164	162.4	66.2	0	0	0	0	111.6	N824 V828 E829 L830	N824-S826 PolarHBondContact O-N 3.09Å; S826-V828 PolarHBondContact O-N 3.34Å; S826-E829 WeakPolarHBondContact CB-OE2 3.25Å; S826-E829 PolarHBondContact N-OE2 2.9Å; S826-E829 PolarHBondContact O-N 2.93Å; S826-E829 VanDerWaalsContact O-N 3.16Å; S826-E829 PolarHBondContact OG-N 3.48Å; S826-E829 PolarHBondContact OG-OE2 2.96Å; S826-L830 PolarHBondContact O-N 3.48Å
827	H	86.8	Confident	85.3	Confident	68 Å²	68	48.5 Å²	48.5	32%	0.315	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-27.2	173.7	71.5	-93.2	0	0	0	112.6	C831 L853	H827-C831 VanDerWaalsContact O-CB 3.27Å; H827-C831 WeakPolarHBondContact O-CB 3.47Å; H827-C831 PolarHBondContact O-N 3.21Å; H827-C831 PolarHBondContact O-SG 3.42Å; H827-L853 WeakPolarHBondContact CA-O 3.41Å; H827-L853 WeakPolarHBondContact CB-O 3.25Å
828	V	87.9	Confident	85.2	Confident	83 Å²	83	54.5 Å²	54.5	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-69.5	-47.1	175.4	-176	0	0	0	0	110.7	S826 C831 T832	S826-V828 PolarHBondContact O-N 3.34Å; V828-C831 PolarHBondContact O-N 2.97Å; V828-T832 VanDerWaalsContact O-CB 3.3Å; V828-T832 WeakPolarHBondContact O-CB 3.37Å; V828-T832 PolarHBondContact O-N 3.17Å; V828-T832 PolarHBondContact O-OG1 3.37Å
829	E	90	Very high	84.6	Confident	87 Å²	87	57.3 Å²	57.3	41%	0.407	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-44.9	177.5	-72.4	158.2	107.2	0	0	111.6	W825 S826 C831 T832 W833	W825-E829 HydrophobicContact CB-CB 3.96Å; W825-E829 HydrophobicContact CG-CB 4.07Å; S826-E829 WeakPolarHBondContact CB-OE2 3.25Å; S826-E829 PolarHBondContact N-OE2 2.9Å; S826-E829 PolarHBondContact O-N 2.93Å; S826-E829 VanDerWaalsContact O-N 3.16Å; S826-E829 PolarHBondContact OG-N 3.48Å; S826-E829 PolarHBondContact OG-OE2 2.96Å; E829-C831 PolarHBondContact O-N 3.45Å; E829-T832 PolarHBondContact O-N 3.2Å; E829-W833 WeakPolarHBondContact O-CB 3.45Å; E829-W833 PolarHBondContact O-N 3.14Å
830	L	91.9	Very high	84.4	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.4	-50.1	174.2	178.9	72.6	0	0	0	111.2	W825 S826 T832 W833 L834 A848 L853 F858 L885	W825-L830 HydrophobicContact CE3-CD1 4.09Å; W825-L830 HydrophobicContact CZ3-CD1 4.38Å; S826-L830 PolarHBondContact O-N 3.48Å; L830-T832 VanDerWaalsContact C-N 3.31Å; L830-T832 PolarHBondContact O-N 3.45Å; L830-W833 PolarHBondContact O-N 3.23Å; L830-L834 HydrophobicContact CD1-CD1 4.15Å; L830-L834 HydrophobicContact CD1-CG 4.21Å; L830-L834 HydrophobicContact CD2-CD1 4.24Å; L830-L834 HydrophobicContact CG-CD1 3.82Å; L830-L834 HydrophobicContact CG-CG 4.26Å; L830-L834 WeakPolarHBondContact O-CB 3.29Å; L830-L834 VanDerWaalsContact O-CG 3.3Å; L830-L834 WeakPolarHBondContact O-CG 3.31Å; L830-L834 PolarHBondContact O-N 2.75Å; L830-A848 HydrophobicContact CD2-CB 4.4Å; L830-L853 HydrophobicContact CD2-CB 4.16Å; L830-L853 VanDerWaalsContact CD2-O 3.29Å; L830-L853 WeakPolarHBondContact CD2-O 3.36Å; L830-F858 HydrophobicContact CD1-CB 4.24Å; L830-F858 HydrophobicContact CD1-CD1 4.1Å; L830-F858 HydrophobicContact CD1-CG 4.13Å; L830-F858 HydrophobicContact CD2-CB 3.49Å; L830-F858 VanDerWaalsContact CD2-CB 3.49Å; L830-F858 HydrophobicContact CD2-CD2 3.99Å; L830-F858 HydrophobicContact CD2-CG 3.77Å; L830-L885 HydrophobicContact CD1-CD1 4.09Å
831	C	89.5	Confident	83.8	Confident	11 Å²	11	51.2 Å²	51.2	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-36.2	-179.9	-69.6	0	0	0	0	112.2	H827 V828 E829 A835 V845 L849	H827-C831 VanDerWaalsContact O-CB 3.27Å; H827-C831 WeakPolarHBondContact O-CB 3.47Å; H827-C831 PolarHBondContact O-N 3.21Å; H827-C831 PolarHBondContact O-SG 3.42Å; V828-C831 PolarHBondContact O-N 2.97Å; E829-C831 PolarHBondContact O-N 3.45Å; C831-A835 VanDerWaalsContact O-CB 3.26Å; C831-A835 WeakPolarHBondContact O-CB 3.32Å; C831-A835 PolarHBondContact O-N 3.24Å; C831-V845 HydrophobicContact CB-CG1 4.16Å; C831-L849 HydrophobicContact CB-CD2 4.22Å
832	T	89.1	Confident	83.3	Confident	83 Å²	83	60.3 Å²	60.3	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-39.8	174.6	-57.7	0	0	0	0	111.5	V828 E829 L830	V828-T832 VanDerWaalsContact O-CB 3.3Å; V828-T832 WeakPolarHBondContact O-CB 3.37Å; V828-T832 PolarHBondContact O-N 3.17Å; V828-T832 PolarHBondContact O-OG1 3.37Å; E829-T832 PolarHBondContact O-N 3.2Å; L830-T832 VanDerWaalsContact C-N 3.31Å; L830-T832 PolarHBondContact O-N 3.45Å
833	W	92.2	Very high	82.9	Confident	8 Å²	8	62.3 Å²	62.3	3%	0.03	34%	0.337	C	S	.	.	H	α-helix	trans	-72.4	-45.3	177.3	-173.1	88.8	0	0	0	112.2	L815 P816 P817 V818 W825 E829 L830 A835 R836 I837 I881 F884 L885	L815-W833 HydrophobicContact CD2-CH2 4.08Å; P816-W833 HydrophobicContact CG-CD2 4.3Å; P816-W833 HydrophobicContact CG-CZ2 3.9Å; P816-W833 WeakPolarHBondContact O-CZ2 3.46Å; P817-W833 PolarHBondContact O-NE1 3.36Å; V818-W833 HydrophobicContact CG2-CZ2 4.06Å; W825-W833 HydrophobicContact CH2-CB 4.04Å; W825-W833 AromaticContact CH2-CD1 3.54Å; W825-W833 AromaticContact CH2-CD2 3.58Å; W825-W833 HydrophobicContact CH2-CD2 3.58Å; W825-W833 AromaticContact CH2-CE2 3.81Å; W825-W833 HydrophobicContact CH2-CE3 4.22Å; W825-W833 AromaticContact CH2-CG 3.45Å; W825-W833 HydrophobicContact CH2-CG 3.45Å; W825-W833 VanDerWaalsContact CH2-CG 3.45Å; W825-W833 AromaticContact CH2-NE1 3.74Å; W825-W833 HydrophobicContact CZ2-CG 4.32Å; W825-W833 HydrophobicContact CZ3-CB 3.95Å; W825-W833 AromaticContact CZ3-CD2 3.69Å; W825-W833 HydrophobicContact CZ3-CD2 3.69Å; W825-W833 AromaticContact CZ3-CE3 3.9Å; W825-W833 HydrophobicContact CZ3-CE3 3.9Å; W825-W833 AromaticContact CZ3-CG 3.71Å; W825-W833 HydrophobicContact CZ3-CG 3.71Å; E829-W833 WeakPolarHBondContact O-CB 3.45Å; E829-W833 PolarHBondContact O-N 3.14Å; L830-W833 PolarHBondContact O-N 3.23Å; W833-A835 VanDerWaalsContact C-N 3.27Å; W833-A835 PolarHBondContact O-N 2.76Å; W833-R836 WeakPolarHBondContact O-CB 3.25Å; W833-R836 PolarHBondContact O-N 2.73Å; W833-I837 HydrophobicContact CE3-CD1 4.4Å; W833-I837 HydrophobicContact CH2-CD1 4.3Å; W833-I837 HydrophobicContact CZ3-CD1 3.89Å; W833-I881 HydrophobicContact CH2-CG2 4.15Å; W833-I881 HydrophobicContact CZ3-CG2 3.63Å; W833-F884 AromaticContact CH2-CD1 3.88Å; W833-F884 HydrophobicContact CH2-CD1 3.88Å; W833-F884 AromaticContact CH2-CE1 3.79Å; W833-F884 HydrophobicContact CH2-CE1 3.79Å; W833-F884 HydrophobicContact CZ2-CD1 4.24Å; W833-F884 AromaticContact CZ2-CE1 3.67Å; W833-F884 HydrophobicContact CZ2-CE1 3.67Å; W833-L885 HydrophobicContact CE3-CD2 4.38Å; W833-L885 HydrophobicContact CH2-CD2 3.84Å; W833-L885 HydrophobicContact CH2-CG 4.35Å; W833-L885 HydrophobicContact CZ2-CD2 4.16Å; W833-L885 HydrophobicContact CZ3-CD1 4.12Å; W833-L885 HydrophobicContact CZ3-CD2 3.95Å; W833-L885 HydrophobicContact CZ3-CG 4.23Å
834	L	89.1	Confident	82.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-35.2	174.5	-72.7	173.8	0	0	0	112.5	L830 R836 I837 I844 V845 A848 F858 I881	L830-L834 HydrophobicContact CD1-CD1 4.15Å; L830-L834 HydrophobicContact CD1-CG 4.21Å; L830-L834 HydrophobicContact CD2-CD1 4.24Å; L830-L834 HydrophobicContact CG-CD1 3.82Å; L830-L834 HydrophobicContact CG-CG 4.26Å; L830-L834 WeakPolarHBondContact O-CB 3.29Å; L830-L834 VanDerWaalsContact O-CG 3.3Å; L830-L834 WeakPolarHBondContact O-CG 3.31Å; L830-L834 PolarHBondContact O-N 2.75Å; L834-R836 PolarHBondContact O-N 3.15Å; L834-I837 HydrophobicContact CD2-CD1 3.94Å; L834-I837 PolarHBondContact O-N 3.34Å; L834-I844 HydrophobicContact CD1-CG2 3.95Å; L834-V845 HydrophobicContact CB-CG2 3.58Å; L834-A848 HydrophobicContact CD1-CB 4.13Å; L834-F858 HydrophobicContact CD1-CE2 4.24Å; L834-F858 HydrophobicContact CD1-CZ 4.45Å; L834-F858 HydrophobicContact CD2-CE1 4.45Å; L834-F858 HydrophobicContact CD2-CZ 4.15Å; L834-I881 HydrophobicContact CD2-CG2 3.86Å
835	A	87.3	Confident	83	Confident	59 Å²	59	54.8 Å²	54.8	49%	0.488	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.7	176.3	0	0	0	0	0	113.7	C831 W833 I837 V845	C831-A835 VanDerWaalsContact O-CB 3.26Å; C831-A835 WeakPolarHBondContact O-CB 3.32Å; C831-A835 PolarHBondContact O-N 3.24Å; W833-A835 VanDerWaalsContact C-N 3.27Å; W833-A835 PolarHBondContact O-N 2.76Å; A835-I837 VanDerWaalsContact C-N 3.32Å; A835-V845 HydrophobicContact CB-CG2 4.49Å
836	R	87.2	Confident	82.6	Confident	114 Å²	114	57.6 Å²	57.6	43%	0.43	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.8	176.1	-66.3	160.9	69	172.8	0.9	113	P816 E819 W833 L834	P816-R836 HydrophobicContact CB-CB 4.14Å; P816-R836 HydrophobicContact CG-CB 3.91Å; E819-R836 VanDerWaalsContact CD-NH1 3.25Å; E819-R836 IonicContact OE1-CZ 2.86Å; E819-R836 IonicContact OE1-NH1 3.11Å; E819-R836 PolarHBondContact OE1-NH1 3.08Å; E819-R836 VanDerWaalsContact OE1-NH1 3.1Å; E819-R836 IonicContact OE1-NH2 2.85Å; E819-R836 PolarHBondContact OE1-NH2 3.45Å; E819-R836 IonicContact OE2-CZ 3.67Å; E819-R836 IonicContact OE2-NH1 3.22Å; E819-R836 PolarHBondContact OE2-NH1 3.05Å; E819-R836 IonicContact OE2-NH2 2.7Å; W833-R836 WeakPolarHBondContact O-CB 3.25Å; W833-R836 PolarHBondContact O-N 2.73Å; L834-R836 PolarHBondContact O-N 3.15Å
837	I	83.4	Confident	82.2	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	31%	0.308	C	S	.	.	S	Bend	trans	-87.2	120.4	178.6	-34.8	166.5	0	0	0	109.8	F813 L815 P816 W833 L834 A835 G839 F840 I881	F813-I837 HydrophobicContact CD2-CG2 4.19Å; L815-I837 HydrophobicContact CD2-CD1 3.67Å; L815-I837 HydrophobicContact CD2-CG1 4.05Å; L815-I837 HydrophobicContact CD2-CG2 3.9Å; P816-I837 HydrophobicContact CG-CG1 4.15Å; W833-I837 HydrophobicContact CE3-CD1 4.4Å; W833-I837 HydrophobicContact CH2-CD1 4.3Å; W833-I837 HydrophobicContact CZ3-CD1 3.89Å; L834-I837 HydrophobicContact CD2-CD1 3.94Å; L834-I837 PolarHBondContact O-N 3.34Å; A835-I837 VanDerWaalsContact C-N 3.32Å; I837-G839 PolarHBondContact O-N 2.91Å; I837-F840 HydrophobicContact CB-CB 4.14Å; I837-F840 HydrophobicContact CB-CD2 3.66Å; I837-F840 HydrophobicContact CB-CG 4.2Å; I837-F840 HydrophobicContact CG2-CD2 3.35Å; I837-F840 HydrophobicContact CG2-CE2 3.8Å; I837-F840 HydrophobicContact CG2-CG 4.25Å; I837-F840 PolarHBondContact O-N 3.23Å; I837-F840 VanDerWaalsContact O-N 3.15Å; I837-I881 HydrophobicContact CD1-CD1 3.9Å; I837-I881 HydrophobicContact CD1-CG1 4.32Å; I837-I881 HydrophobicContact CD1-CG2 4.19Å
838	Q	72.8	Confident	82	Confident	178 Å²	178	53.5 Å²	53.5	83%	0.832	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	123.3	-177.6	-72.9	-169.3	-8.1	0	0	112.1	F840	Q838-F840 VanDerWaalsContact O-CD2 3.25Å; Q838-F840 WeakPolarHBondContact O-CD2 3.38Å; Q838-F840 WeakPolarHBondContact O-CE2 3.27Å
839	G	68.9	Low	81.9	Confident	63 Å²	63	53.5 Å²	53.5	65%	0.649	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-22.6	-179.9	0	0	0	0	0	115.2	I837	I837-G839 PolarHBondContact O-N 2.91Å
840	F	68.3	Low	81.4	Confident	13 Å²	13	55.7 Å²	55.7	6%	0.057	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-90.2	-27	-169.5	-66	-80.8	0	0	0	114.8	F813 I837 Q838 R842 T843 I844 K877 I881	F813-F840 HydrophobicContact CB-CE2 4.38Å; F813-F840 AromaticContact CD1-CE2 3.46Å; F813-F840 HydrophobicContact CD1-CE2 3.46Å; F813-F840 VanDerWaalsContact CD1-CE2 3.46Å; F813-F840 AromaticContact CD1-CZ 3.39Å; F813-F840 HydrophobicContact CD1-CZ 3.39Å; F813-F840 HydrophobicContact CD2-CE2 4.46Å; F813-F840 HydrophobicContact CE1-CE1 4.19Å; F813-F840 AromaticContact CE1-CE2 3.72Å; F813-F840 HydrophobicContact CE1-CE2 3.72Å; F813-F840 AromaticContact CE1-CZ 3.25Å; F813-F840 HydrophobicContact CE1-CZ 3.25Å; F813-F840 AromaticContact CG-CE2 3.87Å; F813-F840 HydrophobicContact CG-CE2 3.87Å; F813-F840 HydrophobicContact CG-CZ 4.24Å; F813-F840 HydrophobicContact CZ-CE2 4.38Å; F813-F840 HydrophobicContact CZ-CZ 4.05Å; I837-F840 HydrophobicContact CB-CB 4.14Å; I837-F840 HydrophobicContact CB-CD2 3.66Å; I837-F840 HydrophobicContact CB-CG 4.2Å; I837-F840 HydrophobicContact CG2-CD2 3.35Å; I837-F840 HydrophobicContact CG2-CE2 3.8Å; I837-F840 HydrophobicContact CG2-CG 4.25Å; I837-F840 PolarHBondContact O-N 3.23Å; I837-F840 VanDerWaalsContact O-N 3.15Å; Q838-F840 VanDerWaalsContact O-CD2 3.25Å; Q838-F840 WeakPolarHBondContact O-CD2 3.38Å; Q838-F840 WeakPolarHBondContact O-CE2 3.27Å; F840-R842 PolarHBondContact O-N 2.93Å; F840-T843 PolarHBondContact O-N 2.7Å; F840-I844 HydrophobicContact CD1-CD1 3.54Å; F840-I844 HydrophobicContact CD1-CG1 4.18Å; F840-I844 HydrophobicContact CE1-CD1 4.25Å; F840-I844 HydrophobicContact CG-CD1 4.45Å; F840-I844 PolarHBondContact O-N 3.41Å; F840-I844 VanDerWaalsContact O-N 3.08Å; F840-K877 HydrophobicContact CE1-CB 3.63Å; F840-K877 HydrophobicContact CE1-CD 3.49Å; F840-K877 VanDerWaalsContact CE1-CD 3.49Å; F840-K877 HydrophobicContact CE1-CG 4.2Å; F840-K877 HydrophobicContact CZ-CB 4.29Å; F840-K877 HydrophobicContact CZ-CD 3.82Å; F840-I881 HydrophobicContact CD1-CD1 3.89Å; F840-I881 HydrophobicContact CE1-CD1 4.08Å; F840-I881 HydrophobicContact CG-CD1 4.26Å
841	G	66	Low	80.8	Confident	33 Å²	33	61.2 Å²	61.2	34%	0.34	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-59.6	-9.9	177.2	0	0	0	0	0	115.3
842	R	69.5	Low	80.5	Confident	230 Å²	230	67 Å²	67	87%	0.868	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-103	-14	176	-68.2	-172.5	178.2	-172.8	-0.7	114.8	F840	F840-R842 PolarHBondContact O-N 2.93Å
843	T	75.1	Confident	80.3	Confident	41 Å²	41	64.2 Å²	64.2	25%	0.252	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-53.2	-174.1	52	0	0	0	0	112.3	F840	F840-T843 PolarHBondContact O-N 2.7Å
844	I	81.5	Confident	80.1	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.015	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-43.6	-176.9	-56	-179.3	0	0	0	111.5	L834 F840 I847 A848 F858 L870 A878 I881	L834-I844 HydrophobicContact CD1-CG2 3.95Å; F840-I844 HydrophobicContact CD1-CD1 3.54Å; F840-I844 HydrophobicContact CD1-CG1 4.18Å; F840-I844 HydrophobicContact CE1-CD1 4.25Å; F840-I844 HydrophobicContact CG-CD1 4.45Å; F840-I844 PolarHBondContact O-N 3.41Å; F840-I844 VanDerWaalsContact O-N 3.08Å; I844-I847 PolarHBondContact O-N 3.38Å; I844-A848 PolarHBondContact O-N 3.09Å; I844-F858 HydrophobicContact CG2-CE2 3.72Å; I844-F858 HydrophobicContact CG2-CZ 4.14Å; I844-L870 HydrophobicContact CG1-CD1 4.32Å; I844-A878 HydrophobicContact CD1-CB 3.61Å; I844-A878 HydrophobicContact CG1-CB 4.22Å; I844-A878 HydrophobicContact CG2-CB 4.47Å; I844-I881 HydrophobicContact CD1-CD1 3.69Å
845	V	86	Confident	80	Confident	19 Å²	19	66.5 Å²	66.5	12%	0.115	34%	0.341	C	S	.	.	H	α-helix	trans	-57.1	-43.4	-176	172.5	0	0	0	0	113.5	C831 L834 A835 I847 A848 L849	C831-V845 HydrophobicContact CB-CG1 4.16Å; L834-V845 HydrophobicContact CB-CG2 3.58Å; A835-V845 HydrophobicContact CB-CG2 4.49Å; V845-I847 PolarHBondContact O-N 2.83Å; V845-A848 PolarHBondContact O-N 3.25Å; V845-L849 HydrophobicContact CG1-CD1 3.96Å; V845-L849 HydrophobicContact CG1-CG 4.33Å; V845-L849 WeakPolarHBondContact O-CB 3.36Å; V845-L849 WeakPolarHBondContact O-CG 3.34Å; V845-L849 PolarHBondContact O-N 2.83Å
846	P	82.8	Confident	79.9	Confident	69 Å²	69	68.6 Å²	68.6	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-58.1	-29.1	174.8	-26.3	35.9	0	0	0	114.2	K850	P846-K850 VanDerWaalsContact O-CB 3.22Å; P846-K850 WeakPolarHBondContact O-CB 3.23Å; P846-K850 PolarHBondContact O-N 3.41Å
847	I	81.9	Confident	79.8	Confident	25 Å²	25	64.7 Å²	64.7	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-86.9	-40.6	-178.3	-70.4	165.8	0	0	0	110.7	I844 V845 L849 K850 Y851 S869 L870	I844-I847 PolarHBondContact O-N 3.38Å; V845-I847 PolarHBondContact O-N 2.83Å; I847-L849 PolarHBondContact O-N 2.83Å; I847-K850 PolarHBondContact O-N 3.35Å; I847-Y851 HydrophobicContact CG2-CD2 3.83Å; I847-Y851 HydrophobicContact CG2-CE2 4.11Å; I847-Y851 WeakPolarHBondContact O-CD2 3.46Å; I847-Y851 PolarHBondContact O-N 2.88Å; I847-S869 VanDerWaalsContact CD1-O 3.24Å; I847-S869 WeakPolarHBondContact CD1-O 3.5Å; I847-L870 HydrophobicContact CD1-CD2 3.44Å; I847-L870 VanDerWaalsContact CD1-CD2 3.44Å; I847-L870 HydrophobicContact CD1-CG 3.58Å
848	A	82.8	Confident	80.1	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-39.1	169.4	0	0	0	0	0	111.7	L830 L834 I844 V845 H852 L853	L830-A848 HydrophobicContact CD2-CB 4.4Å; L834-A848 HydrophobicContact CD1-CB 4.13Å; I844-A848 PolarHBondContact O-N 3.09Å; V845-A848 PolarHBondContact O-N 3.25Å; A848-H852 CarbonylContact O-C 3.56Å; A848-H852 WeakPolarHBondContact O-CA 3.35Å; A848-H852 PolarHBondContact O-N 3.43Å; A848-H852 VanDerWaalsContact O-N 3.13Å; A848-L853 HydrophobicContact CB-CB 4.38Å; A848-L853 PolarHBondContact O-N 3.11Å
849	L	83.9	Confident	80.7	Confident	84 Å²	84	56.6 Å²	56.6	44%	0.44	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-50.2	171	-69.5	171.9	0	0	0	112.4	C831 V845 I847 Y851 H852	C831-L849 HydrophobicContact CB-CD2 4.22Å; V845-L849 HydrophobicContact CG1-CD1 3.96Å; V845-L849 HydrophobicContact CG1-CG 4.33Å; V845-L849 WeakPolarHBondContact O-CB 3.36Å; V845-L849 WeakPolarHBondContact O-CG 3.34Å; V845-L849 PolarHBondContact O-N 2.83Å; I847-L849 PolarHBondContact O-N 2.83Å; L849-Y851 VanDerWaalsContact C-N 3.26Å; L849-Y851 PolarHBondContact O-N 3.15Å; L849-H852 PolarHBondContact O-N 2.85Å; L849-H852 VanDerWaalsContact O-N 3.11Å
850	K	80	Confident	81.3	Confident	132 Å²	132	59.6 Å²	59.6	57%	0.574	29%	0.293	S	S	*	.	H	α-helix	trans	-56.8	-36.5	-178.3	179.6	-172	172.3	-155.5	0	113.4	P846 I847	P846-K850 VanDerWaalsContact O-CB 3.22Å; P846-K850 WeakPolarHBondContact O-CB 3.23Å; P846-K850 PolarHBondContact O-N 3.41Å; I847-K850 PolarHBondContact O-N 3.35Å
851	Y	80.6	Confident	81.7	Confident	117 Å²	117	59.6 Å²	59.6	46%	0.459	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	10.4	-179.5	-66.2	-80.3	0	0	0	113.3	I847 L849 L853 S869	I847-Y851 HydrophobicContact CG2-CD2 3.83Å; I847-Y851 HydrophobicContact CG2-CE2 4.11Å; I847-Y851 WeakPolarHBondContact O-CD2 3.46Å; I847-Y851 PolarHBondContact O-N 2.88Å; L849-Y851 VanDerWaalsContact C-N 3.26Å; L849-Y851 PolarHBondContact O-N 3.15Å; Y851-L853 PolarHBondContact O-N 3.41Å; Y851-L853 VanDerWaalsContact O-N 3.16Å; Y851-S869 WeakPolarHBondContact CE2-OG 3.45Å; Y851-S869 PolarHBondContact OH-OG 2.85Å
852	H	82.4	Confident	82	Confident	133 Å²	133	61 Å²	61	62%	0.616	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	37.8	-178	-66	-77	0	0	0	114.4	A848 L849 N854	A848-H852 CarbonylContact O-C 3.56Å; A848-H852 WeakPolarHBondContact O-CA 3.35Å; A848-H852 PolarHBondContact O-N 3.43Å; A848-H852 VanDerWaalsContact O-N 3.13Å; L849-H852 PolarHBondContact O-N 2.85Å; L849-H852 VanDerWaalsContact O-N 3.11Å; H852-N854 PolarHBondContact O-N 3.19Å
853	L	85	Confident	82	Confident	23 Å²	23	52 Å²	52	12%	0.12	26%	0.264	C	S	.	.			trans	-64.7	120.6	-175.3	-59	-178.4	0	0	0	110.3	H827 L830 A848 Y851 S857 F858	H827-L853 WeakPolarHBondContact CA-O 3.41Å; H827-L853 WeakPolarHBondContact CB-O 3.25Å; L830-L853 HydrophobicContact CD2-CB 4.16Å; L830-L853 VanDerWaalsContact CD2-O 3.29Å; L830-L853 WeakPolarHBondContact CD2-O 3.36Å; A848-L853 HydrophobicContact CB-CB 4.38Å; A848-L853 PolarHBondContact O-N 3.11Å; Y851-L853 PolarHBondContact O-N 3.41Å; Y851-L853 VanDerWaalsContact O-N 3.16Å; L853-S857 WeakPolarHBondContact CA-OG 3.4Å; L853-S857 WeakPolarHBondContact CD2-OG 3.44Å; L853-F858 HydrophobicContact CB-CB 4.4Å; L853-F858 HydrophobicContact CD1-CD2 3.99Å
854	N	89	Confident	81.6	Confident	56 Å²	56	56 Å²	56	30%	0.299	28%	0.284	S	S	.	.			trans	-86.7	176.1	167.6	74.6	-15.6	0	0	0	109.6	W825 H852 E856 S857 F858	W825-N854 WeakPolarHBondContact O-CB 3.35Å; H852-N854 PolarHBondContact O-N 3.19Å; N854-E856 VanDerWaalsContact C-N 3.32Å; N854-E856 PolarHBondContact O-N 3.04Å; N854-S857 PolarHBondContact N-OG 2.89Å; N854-S857 PolarHBondContact O-N 2.94Å; N854-S857 PolarHBondContact O-OG 3.18Å; N854-S857 VanDerWaalsContact OD1-CB 3.25Å; N854-S857 WeakPolarHBondContact OD1-CB 3.25Å; N854-S857 PolarHBondContact OD1-N 2.78Å; N854-S857 PolarHBondContact OD1-OG 2.99Å; N854-S857 VanDerWaalsContact OD1-OG 3.07Å; N854-F858 WeakPolarHBondContact O-CB 3.33Å; N854-F858 PolarHBondContact O-N 3.33Å
855	G	86.9	Confident	81	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-40.4	-178.5	0	0	0	0	0	113.3	P822 W825 M859	P822-G855 CarbonylContact O-C 3.53Å; P822-G855 VanDerWaalsContact O-CA 3.31Å; P822-G855 WeakPolarHBondContact O-CA 3.46Å; W825-G855 PolarHBondContact O-N 2.62Å; G855-M859 WeakPolarHBondContact O-CB 3.24Å; G855-M859 WeakPolarHBondContact O-CE 3.49Å; G855-M859 VanDerWaalsContact O-CG 3.29Å; G855-M859 WeakPolarHBondContact O-CG 3.26Å; G855-M859 PolarHBondContact O-N 2.8Å
856	E	84.7	Confident	80.4	Confident	104 Å²	104	60.4 Å²	60.4	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-59.7	-53.9	173	-177.4	-179.1	-156	0	0	112.3	L823 N854 F858 M859 I860	L823-E856 HydrophobicContact CD1-CB 4.24Å; L823-E856 HydrophobicContact CD1-CG 4.17Å; N854-E856 VanDerWaalsContact C-N 3.32Å; N854-E856 PolarHBondContact O-N 3.04Å; E856-F858 PolarHBondContact O-N 3.38Å; E856-M859 WeakPolarHBondContact O-CB 3.35Å; E856-M859 PolarHBondContact O-N 2.7Å; E856-M859 VanDerWaalsContact O-N 3.09Å; E856-I860 PolarHBondContact O-N 3.19Å
857	S	85.2	Confident	80	Confident	31 Å²	31	59 Å²	59	22%	0.217	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-39.8	-175.7	71.2	0	0	0	0	111.8	L853 N854 M859 I860 C861	L853-S857 WeakPolarHBondContact CA-OG 3.4Å; L853-S857 WeakPolarHBondContact CD2-OG 3.44Å; N854-S857 PolarHBondContact N-OG 2.89Å; N854-S857 PolarHBondContact O-N 2.94Å; N854-S857 PolarHBondContact O-OG 3.18Å; N854-S857 VanDerWaalsContact OD1-CB 3.25Å; N854-S857 WeakPolarHBondContact OD1-CB 3.25Å; N854-S857 PolarHBondContact OD1-N 2.78Å; N854-S857 PolarHBondContact OD1-OG 2.99Å; N854-S857 VanDerWaalsContact OD1-OG 3.07Å; S857-M859 VanDerWaalsContact C-N 3.29Å; S857-M859 PolarHBondContact O-N 2.87Å; S857-I860 VanDerWaalsContact O-CG1 3.22Å; S857-I860 WeakPolarHBondContact O-CG1 3.46Å; S857-I860 PolarHBondContact O-N 2.85Å; S857-I860 VanDerWaalsContact O-N 3.15Å; S857-C861 PolarHBondContact O-N 2.87Å; S857-C861 PolarHBondContact O-SG 2.83Å
858	F	89.2	Confident	79.7	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-32.6	173.9	-171.8	-90.9	0	0	0	112.4	L830 L834 I844 L853 N854 E856 I860 A878 I881 A882 L885	L830-F858 HydrophobicContact CD1-CB 4.24Å; L830-F858 HydrophobicContact CD1-CD1 4.1Å; L830-F858 HydrophobicContact CD1-CG 4.13Å; L830-F858 HydrophobicContact CD2-CB 3.49Å; L830-F858 VanDerWaalsContact CD2-CB 3.49Å; L830-F858 HydrophobicContact CD2-CD2 3.99Å; L830-F858 HydrophobicContact CD2-CG 3.77Å; L834-F858 HydrophobicContact CD1-CE2 4.24Å; L834-F858 HydrophobicContact CD1-CZ 4.45Å; L834-F858 HydrophobicContact CD2-CE1 4.45Å; L834-F858 HydrophobicContact CD2-CZ 4.15Å; I844-F858 HydrophobicContact CG2-CE2 3.72Å; I844-F858 HydrophobicContact CG2-CZ 4.14Å; L853-F858 HydrophobicContact CB-CB 4.4Å; L853-F858 HydrophobicContact CD1-CD2 3.99Å; N854-F858 WeakPolarHBondContact O-CB 3.33Å; N854-F858 PolarHBondContact O-N 3.33Å; E856-F858 PolarHBondContact O-N 3.38Å; F858-I860 VanDerWaalsContact C-N 3.29Å; F858-I860 PolarHBondContact O-N 3.08Å; F858-A878 HydrophobicContact CZ-CB 4.26Å; F858-I881 HydrophobicContact CE1-CB 4.28Å; F858-I881 HydrophobicContact CE1-CG2 3.93Å; F858-I881 HydrophobicContact CZ-CB 4.46Å; F858-I881 HydrophobicContact CZ-CG2 4.33Å; F858-A882 HydrophobicContact CD1-CB 4.14Å; F858-A882 HydrophobicContact CE1-CB 3.96Å; F858-A882 VanDerWaalsContact O-CB 3.29Å; F858-A882 WeakPolarHBondContact O-CB 3.28Å; F858-L885 HydrophobicContact CD1-CD1 4.06Å; F858-L885 HydrophobicContact CE1-CD1 4.31Å
859	M	85.9	Confident	79.2	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.044	34%	0.338	C	S	.	.	H	α-helix	trans	-73.5	-12.5	173.7	-80.3	-169.2	-66.2	0	0	114.3	P822 L823 G855 E856 S857 L885 R886 F889	P822-M859 HydrophobicContact CB-CE 4.33Å; P822-M859 HydrophobicContact CB-SD 4.49Å; P822-M859 HydrophobicContact CG-CE 4.42Å; P822-M859 HydrophobicContact CG-SD 4.33Å; L823-M859 HydrophobicContact CB-CE 4.16Å; L823-M859 HydrophobicContact CD1-CE 3.92Å; G855-M859 WeakPolarHBondContact O-CB 3.24Å; G855-M859 WeakPolarHBondContact O-CE 3.49Å; G855-M859 VanDerWaalsContact O-CG 3.29Å; G855-M859 WeakPolarHBondContact O-CG 3.26Å; G855-M859 PolarHBondContact O-N 2.8Å; E856-M859 WeakPolarHBondContact O-CB 3.35Å; E856-M859 PolarHBondContact O-N 2.7Å; E856-M859 VanDerWaalsContact O-N 3.09Å; S857-M859 VanDerWaalsContact C-N 3.29Å; S857-M859 PolarHBondContact O-N 2.87Å; M859-L885 HydrophobicContact CG-CB 3.68Å; M859-L885 HydrophobicContact SD-CB 3.71Å; M859-R886 HydrophobicContact CB-CG 3.92Å; M859-R886 HydrophobicContact CG-CG 4.04Å; M859-R886 VanDerWaalsContact O-CD 3.25Å; M859-R886 WeakPolarHBondContact O-CD 2.9Å; M859-R886 PolarHBondContact O-NH1 2.84Å; M859-R886 HydrophobicContact SD-CG 4.16Å; M859-F889 HydrophobicContact SD-CB 4.43Å
860	I	81.8	Confident	78.9	Confident	127 Å²	127	60.1 Å²	60.1	65%	0.651	32%	0.319	S	S	*	.	H	α-helix	trans	-106.9	-9.6	175.4	62.7	175.8	0	0	0	114.3	E856 S857 F858 N862	E856-I860 PolarHBondContact O-N 3.19Å; S857-I860 VanDerWaalsContact O-CG1 3.22Å; S857-I860 WeakPolarHBondContact O-CG1 3.46Å; S857-I860 PolarHBondContact O-N 2.85Å; S857-I860 VanDerWaalsContact O-N 3.15Å; F858-I860 VanDerWaalsContact C-N 3.29Å; F858-I860 PolarHBondContact O-N 3.08Å; I860-N862 PolarHBondContact O-N 2.68Å
861	C	75.7	Confident	78.9	Confident	12 Å²	12	58 Å²	58	8%	0.081	32%	0.318	C	S	.	.			trans	-54.2	134.5	177.7	-74.7	0	0	0	0	113.2	S857 E865 L866	S857-C861 PolarHBondContact O-N 2.87Å; S857-C861 PolarHBondContact O-SG 2.83Å; C861-E865 WeakPolarHBondContact CA-OE2 3.4Å; C861-L866 HydrophobicContact CB-CD1 4.05Å; C861-L866 HydrophobicContact CB-CD2 4.33Å; C861-L866 HydrophobicContact CB-CG 4.06Å
862	N	72.8	Confident	78.2	Confident	63 Å²	63	57.4 Å²	57.4	34%	0.337	32%	0.323	S	S	.	.			trans	-96	175.2	173.3	59.8	55	0	0	0	112.2	I860 D864 E865 L866	I860-N862 PolarHBondContact O-N 2.68Å; N862-D864 VanDerWaalsContact C-N 3.33Å; N862-D864 PolarHBondContact O-N 2.86Å; N862-D864 PolarHBondContact OD1-N 3.41Å; N862-E865 PolarHBondContact N-OE2 2.99Å; N862-E865 PolarHBondContact ND2-OE1 3.31Å; N862-E865 PolarHBondContact ND2-OE2 2.85Å; N862-E865 WeakPolarHBondContact OD1-CB 3.11Å; N862-E865 WeakPolarHBondContact OD1-CG 3.21Å; N862-E865 PolarHBondContact OD1-N 2.78Å; N862-L866 WeakPolarHBondContact O-CD1 3.31Å; N862-L866 WeakPolarHBondContact O-CG 3.21Å; N862-L866 PolarHBondContact O-N 2.79Å
863	V	69.6	Low	77.6	Confident	41 Å²	41	53.3 Å²	53.3	25%	0.248	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-37.1	-178	177.3	0	0	0	0	111.7	L866 A867 L872 L879	V863-L866 PolarHBondContact O-N 3.04Å; V863-A867 WeakPolarHBondContact O-CB 3.46Å; V863-A867 PolarHBondContact O-N 2.75Å; V863-L872 HydrophobicContact CG1-CD1 4.2Å; V863-L879 HydrophobicContact CG2-CD1 3.97Å; V863-L879 HydrophobicContact CG2-CD2 3.68Å; V863-L879 HydrophobicContact CG2-CG 4.31Å
864	D	66.3	Low	77.3	Confident	125 Å²	125	53.4 Å²	53.4	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-72	-44.1	-174.1	-54.4	-62.9	0	0	0	112.1	N862 L866 A867 A868	N862-D864 VanDerWaalsContact C-N 3.33Å; N862-D864 PolarHBondContact O-N 2.86Å; N862-D864 PolarHBondContact OD1-N 3.41Å; D864-L866 VanDerWaalsContact C-N 3.28Å; D864-L866 PolarHBondContact O-N 2.67Å; D864-A867 PolarHBondContact O-N 3.12Å; D864-A868 WeakPolarHBondContact O-CB 3.43Å; D864-A868 PolarHBondContact O-N 3.27Å
865	E	69.5	Low	76.8	Confident	108 Å²	108	50.8 Å²	50.8	51%	0.505	30%	0.303	S	S	.	.	H	α-helix	trans	-57	-41.9	171.8	-74.8	161.6	-167	0	0	112.1	C861 N862	C861-E865 WeakPolarHBondContact CA-OE2 3.4Å; N862-E865 PolarHBondContact N-OE2 2.99Å; N862-E865 PolarHBondContact ND2-OE1 3.31Å; N862-E865 PolarHBondContact ND2-OE2 2.85Å; N862-E865 WeakPolarHBondContact OD1-CB 3.11Å; N862-E865 WeakPolarHBondContact OD1-CG 3.21Å; N862-E865 PolarHBondContact OD1-N 2.78Å
866	L	73.2	Confident	76.1	Confident	7 Å²	7	54 Å²	54	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-73.1	-44.3	178.3	-70.9	166.4	0	0	0	111.3	C861 N862 V863 D864 A868 S869 L870 A875 A878 L879	C861-L866 HydrophobicContact CB-CD1 4.05Å; C861-L866 HydrophobicContact CB-CD2 4.33Å; C861-L866 HydrophobicContact CB-CG 4.06Å; N862-L866 WeakPolarHBondContact O-CD1 3.31Å; N862-L866 WeakPolarHBondContact O-CG 3.21Å; N862-L866 PolarHBondContact O-N 2.79Å; V863-L866 PolarHBondContact O-N 3.04Å; D864-L866 VanDerWaalsContact C-N 3.28Å; D864-L866 PolarHBondContact O-N 2.67Å; L866-A868 VanDerWaalsContact C-N 3.28Å; L866-A868 PolarHBondContact O-N 2.8Å; L866-S869 CarbonylContact O-C 3.12Å; L866-S869 PolarHBondContact O-N 2.66Å; L866-L870 HydrophobicContact CD2-CD1 4.33Å; L866-L870 WeakPolarHBondContact O-CB 3.28Å; L866-L870 PolarHBondContact O-N 2.84Å; L866-A875 HydrophobicContact CB-CB 3.83Å; L866-A878 HydrophobicContact CD1-CB 3.92Å; L866-A878 HydrophobicContact CD2-CB 3.91Å; L866-A878 HydrophobicContact CG-CB 4.47Å; L866-L879 HydrophobicContact CD1-CB 4.5Å; L866-L879 HydrophobicContact CD1-CD1 4.48Å
867	A	72.8	Confident	75.8	Confident	40 Å²	40	51.4 Å²	51.4	33%	0.331	31%	0.307	S	S	.	.	H	α-helix	trans	-69.8	-21.6	180	0	0	0	0	0	113.3	V863 D864 S869 L870 A875	V863-A867 WeakPolarHBondContact O-CB 3.46Å; V863-A867 PolarHBondContact O-N 2.75Å; D864-A867 PolarHBondContact O-N 3.12Å; A867-S869 PolarHBondContact O-N 2.69Å; A867-L870 VanDerWaalsContact O-O 3.13Å; A867-A875 HydrophobicContact CB-CB 4.15Å
868	A	76.4	Confident	75.7	Confident	85 Å²	85	50 Å²	50	70%	0.702	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.7	169	0	0	0	0	0	113.5	D864 L866	D864-A868 WeakPolarHBondContact O-CB 3.43Å; D864-A868 PolarHBondContact O-N 3.27Å; L866-A868 VanDerWaalsContact C-N 3.28Å; L866-A868 PolarHBondContact O-N 2.8Å
869	S	72.8	Confident	75.3	Confident	38 Å²	38	52.3 Å²	52.3	27%	0.266	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-21.7	179.2	-66.3	0	0	0	0	115.2	I847 Y851 L866 A867	I847-S869 VanDerWaalsContact CD1-O 3.24Å; I847-S869 WeakPolarHBondContact CD1-O 3.5Å; Y851-S869 WeakPolarHBondContact CE2-OG 3.45Å; Y851-S869 PolarHBondContact OH-OG 2.85Å; L866-S869 CarbonylContact O-C 3.12Å; L866-S869 PolarHBondContact O-N 2.66Å; A867-S869 PolarHBondContact O-N 2.69Å
870	L	77.5	Confident	75	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.052	32%	0.32	C	S	.	.	S	Bend	trans	-112.4	150.7	177.9	-74.3	168	0	0	0	110.8	I844 I847 L866 A867 L872 D874 A875 A878	I844-L870 HydrophobicContact CG1-CD1 4.32Å; I847-L870 HydrophobicContact CD1-CD2 3.44Å; I847-L870 VanDerWaalsContact CD1-CD2 3.44Å; I847-L870 HydrophobicContact CD1-CG 3.58Å; L866-L870 HydrophobicContact CD2-CD1 4.33Å; L866-L870 WeakPolarHBondContact O-CB 3.28Å; L866-L870 PolarHBondContact O-N 2.84Å; A867-L870 VanDerWaalsContact O-O 3.13Å; L870-L872 PolarHBondContact O-N 2.99Å; L870-D874 HydrophobicContact CB-CB 4.2Å; L870-D874 HydrophobicContact CD1-CB 4.41Å; L870-D874 HydrophobicContact CD2-CB 3.92Å; L870-D874 HydrophobicContact CG-CB 4.42Å; L870-A875 HydrophobicContact CB-CB 4.08Å; L870-A878 HydrophobicContact CD1-CB 4.01Å
871	P	78.9	Confident	75.1	Confident	86 Å²	86	48.5 Å²	48.5	56%	0.558	29%	0.289	S	S	*	.			trans	-52.1	141.7	158.1	-20.9	32.5	0	0	0	110	G873 D874 A875	P871-G873 PolarHBondContact O-N 3.39Å; P871-G873 VanDerWaalsContact O-N 3.07Å; P871-D874 WeakPolarHBondContact O-CA 3.06Å; P871-D874 PolarHBondContact O-N 3.44Å; P871-A875 PolarHBondContact O-N 3.06Å
872	L	67.3	Low	75.6	Confident	106 Å²	106	48 Å²	48	56%	0.555	29%	0.285	S	S	*	.	H	α-helix	trans	-50.7	-40	-178.6	179.8	63.4	0	0	0	112.7	V863 L870 D874 A875 L876	V863-L872 HydrophobicContact CG1-CD1 4.2Å; L870-L872 PolarHBondContact O-N 2.99Å; L872-D874 PolarHBondContact O-N 3.19Å; L872-A875 PolarHBondContact O-N 2.78Å; L872-L876 HydrophobicContact CD1-CD1 4.44Å; L872-L876 HydrophobicContact CD1-CG 4.26Å; L872-L876 HydrophobicContact CG-CD1 4.28Å; L872-L876 WeakPolarHBondContact O-CG 3.47Å; L872-L876 PolarHBondContact O-N 3.08Å
873	G	70	Confident	75.9	Confident	46 Å²	46	48.9 Å²	48.9	47%	0.474	28%	0.284	S	S	.	.	H	α-helix	trans	-68.8	-7	176.6	0	0	0	0	0	115.8	P871 K877	P871-G873 PolarHBondContact O-N 3.39Å; P871-G873 VanDerWaalsContact O-N 3.07Å; G873-K877 WeakPolarHBondContact O-CD 3.28Å; G873-K877 WeakPolarHBondContact O-CE 3.46Å; G873-K877 VanDerWaalsContact O-CG 3.28Å; G873-K877 WeakPolarHBondContact O-CG 3.21Å; G873-K877 PolarHBondContact O-NZ 3.3Å
874	D	77.9	Confident	76.5	Confident	26 Å²	26	47.8 Å²	47.8	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-107.2	-33.5	166.4	-75.7	-39.3	0	0	0	112	L870 P871 L872 L876 K877 A878	L870-D874 HydrophobicContact CB-CB 4.2Å; L870-D874 HydrophobicContact CD1-CB 4.41Å; L870-D874 HydrophobicContact CD2-CB 3.92Å; L870-D874 HydrophobicContact CG-CB 4.42Å; P871-D874 WeakPolarHBondContact O-CA 3.06Å; P871-D874 PolarHBondContact O-N 3.44Å; L872-D874 PolarHBondContact O-N 3.19Å; D874-L876 VanDerWaalsContact C-N 3.33Å; D874-L876 PolarHBondContact O-N 2.9Å; D874-K877 WeakPolarHBondContact O-CA 3.29Å; D874-K877 WeakPolarHBondContact O-CB 3.3Å; D874-K877 PolarHBondContact O-N 3.32Å; D874-K877 IonicContact OD1-NZ 2.83Å; D874-K877 PolarHBondContact OD1-NZ 3.49Å; D874-A878 PolarHBondContact O-N 3.42Å
875	A	78	Confident	77.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-45	173.9	0	0	0	0	0	111.9	L866 A867 L870 P871 L872 K877 A878 L879	L866-A875 HydrophobicContact CB-CB 3.83Å; A867-A875 HydrophobicContact CB-CB 4.15Å; L870-A875 HydrophobicContact CB-CB 4.08Å; P871-A875 PolarHBondContact O-N 3.06Å; L872-A875 PolarHBondContact O-N 2.78Å; A875-K877 PolarHBondContact O-N 2.93Å; A875-A878 PolarHBondContact O-N 2.93Å; A875-L879 PolarHBondContact O-N 3.35Å
876	L	72.9	Confident	78	Confident	67 Å²	67	40.6 Å²	40.6	35%	0.351	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-33.2	174	-68.7	170.7	0	0	0	112.7	L872 D874 L879 E880	L872-L876 HydrophobicContact CD1-CD1 4.44Å; L872-L876 HydrophobicContact CD1-CG 4.26Å; L872-L876 HydrophobicContact CG-CD1 4.28Å; L872-L876 WeakPolarHBondContact O-CG 3.47Å; L872-L876 PolarHBondContact O-N 3.08Å; D874-L876 VanDerWaalsContact C-N 3.33Å; D874-L876 PolarHBondContact O-N 2.9Å; L876-L879 PolarHBondContact O-N 3.36Å; L876-E880 PolarHBondContact O-N 2.65Å; L876-E880 VanDerWaalsContact O-N 3.11Å
877	K	77.2	Confident	77.9	Confident	51 Å²	51	42.4 Å²	42.4	22%	0.222	24%	0.244	C	C	.	.	H	α-helix	trans	-72.5	-41.3	176.8	-44.2	-174.4	177.3	126.7	0	111.3	L811 F840 G873 D874 A875 L879 E880 I881	L811-K877 HydrophobicContact CD1-CB 3.71Å; L811-K877 HydrophobicContact CD1-CD 4.38Å; L811-K877 HydrophobicContact CD1-CG 3.59Å; L811-K877 HydrophobicContact CD2-CD 3.62Å; L811-K877 VanDerWaalsContact CD2-CE 3.49Å; L811-K877 HydrophobicContact CD2-CG 3.68Å; L811-K877 HydrophobicContact CG-CG 4.23Å; F840-K877 HydrophobicContact CE1-CB 3.63Å; F840-K877 HydrophobicContact CE1-CD 3.49Å; F840-K877 VanDerWaalsContact CE1-CD 3.49Å; F840-K877 HydrophobicContact CE1-CG 4.2Å; F840-K877 HydrophobicContact CZ-CB 4.29Å; F840-K877 HydrophobicContact CZ-CD 3.82Å; G873-K877 WeakPolarHBondContact O-CD 3.28Å; G873-K877 WeakPolarHBondContact O-CE 3.46Å; G873-K877 VanDerWaalsContact O-CG 3.28Å; G873-K877 WeakPolarHBondContact O-CG 3.21Å; G873-K877 PolarHBondContact O-NZ 3.3Å; D874-K877 WeakPolarHBondContact O-CA 3.29Å; D874-K877 WeakPolarHBondContact O-CB 3.3Å; D874-K877 PolarHBondContact O-N 3.32Å; D874-K877 IonicContact OD1-NZ 2.83Å; D874-K877 PolarHBondContact OD1-NZ 3.49Å; A875-K877 PolarHBondContact O-N 2.93Å; K877-L879 VanDerWaalsContact C-N 3.26Å; K877-L879 PolarHBondContact O-N 3.02Å; K877-E880 PolarHBondContact O-N 3.15Å; K877-I881 WeakPolarHBondContact O-CD1 3.24Å; K877-I881 VanDerWaalsContact O-CG1 3.26Å; K877-I881 WeakPolarHBondContact O-CG1 3.43Å; K877-I881 PolarHBondContact O-N 2.74Å
878	A	83.7	Confident	78	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-38	175.3	0	0	0	0	0	110.9	I844 F858 L866 L870 D874 A875 I881 A882	I844-A878 HydrophobicContact CD1-CB 3.61Å; I844-A878 HydrophobicContact CG1-CB 4.22Å; I844-A878 HydrophobicContact CG2-CB 4.47Å; F858-A878 HydrophobicContact CZ-CB 4.26Å; L866-A878 HydrophobicContact CD1-CB 3.92Å; L866-A878 HydrophobicContact CD2-CB 3.91Å; L866-A878 HydrophobicContact CG-CB 4.47Å; L870-A878 HydrophobicContact CD1-CB 4.01Å; D874-A878 PolarHBondContact O-N 3.42Å; A875-A878 PolarHBondContact O-N 2.93Å; A878-I881 PolarHBondContact O-N 2.71Å; A878-A882 WeakPolarHBondContact O-CB 3.44Å; A878-A882 PolarHBondContact O-N 2.95Å
879	L	82	Confident	78.1	Confident	51 Å²	51	38.6 Å²	38.6	27%	0.267	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-40.9	173.4	-163	86	0	0	0	113.2	V863 L866 A875 L876 K877 A882 R883	V863-L879 HydrophobicContact CG2-CD1 3.97Å; V863-L879 HydrophobicContact CG2-CD2 3.68Å; V863-L879 HydrophobicContact CG2-CG 4.31Å; L866-L879 HydrophobicContact CD1-CB 4.5Å; L866-L879 HydrophobicContact CD1-CD1 4.48Å; A875-L879 PolarHBondContact O-N 3.35Å; L876-L879 PolarHBondContact O-N 3.36Å; K877-L879 VanDerWaalsContact C-N 3.26Å; K877-L879 PolarHBondContact O-N 3.02Å; L879-A882 PolarHBondContact O-N 2.95Å; L879-R883 PolarHBondContact O-N 3.19Å
880	E	78.1	Confident	77.7	Confident	57 Å²	57	37.5 Å²	37.5	27%	0.266	20%	0.196	S	C	.	.	H	α-helix	trans	-65.6	-39.8	174.1	-80.4	-164.4	-168.2	0	0	112.5	L811 L876 K877 R883 F884	L811-E880 HydrophobicContact CD1-CB 4.39Å; L811-E880 HydrophobicContact CD1-CG 4.41Å; L876-E880 PolarHBondContact O-N 2.65Å; L876-E880 VanDerWaalsContact O-N 3.11Å; K877-E880 PolarHBondContact O-N 3.15Å; E880-R883 WeakPolarHBondContact O-CB 3.31Å; E880-R883 PolarHBondContact O-N 2.93Å; E880-F884 PolarHBondContact O-N 3.32Å
881	I	85.5	Confident	77	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-43.1	175	-62.6	162.1	0	0	0	110.2	F813 L815 W833 L834 I837 F840 I844 F858 K877 A878 R883 F884 L885	F813-I881 HydrophobicContact CE2-CG1 4.44Å; F813-I881 HydrophobicContact CZ-CG1 4.16Å; L815-I881 HydrophobicContact CD2-CG1 4.27Å; W833-I881 HydrophobicContact CH2-CG2 4.15Å; W833-I881 HydrophobicContact CZ3-CG2 3.63Å; L834-I881 HydrophobicContact CD2-CG2 3.86Å; I837-I881 HydrophobicContact CD1-CD1 3.9Å; I837-I881 HydrophobicContact CD1-CG1 4.32Å; I837-I881 HydrophobicContact CD1-CG2 4.19Å; F840-I881 HydrophobicContact CD1-CD1 3.89Å; F840-I881 HydrophobicContact CE1-CD1 4.08Å; F840-I881 HydrophobicContact CG-CD1 4.26Å; I844-I881 HydrophobicContact CD1-CD1 3.69Å; F858-I881 HydrophobicContact CE1-CB 4.28Å; F858-I881 HydrophobicContact CE1-CG2 3.93Å; F858-I881 HydrophobicContact CZ-CB 4.46Å; F858-I881 HydrophobicContact CZ-CG2 4.33Å; K877-I881 WeakPolarHBondContact O-CD1 3.24Å; K877-I881 VanDerWaalsContact O-CG1 3.26Å; K877-I881 WeakPolarHBondContact O-CG1 3.43Å; K877-I881 PolarHBondContact O-N 2.74Å; A878-I881 PolarHBondContact O-N 2.71Å; I881-R883 VanDerWaalsContact C-N 3.33Å; I881-R883 PolarHBondContact O-N 2.7Å; I881-F884 PolarHBondContact O-N 3.26Å; I881-L885 WeakPolarHBondContact O-CG 3.49Å; I881-L885 PolarHBondContact O-N 3.39Å
882	A	85.7	Confident	76.3	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-38.5	173.7	0	0	0	0	0	112.1	F858 A878 L879 L885 R886	F858-A882 HydrophobicContact CD1-CB 4.14Å; F858-A882 HydrophobicContact CE1-CB 3.96Å; F858-A882 VanDerWaalsContact O-CB 3.29Å; F858-A882 WeakPolarHBondContact O-CB 3.28Å; A878-A882 WeakPolarHBondContact O-CB 3.44Å; A878-A882 PolarHBondContact O-N 2.95Å; L879-A882 PolarHBondContact O-N 2.95Å; A882-L885 PolarHBondContact O-N 2.79Å; A882-R886 WeakPolarHBondContact O-CG 3.21Å; A882-R886 PolarHBondContact O-N 3.31Å
883	R	78.2	Confident	75.9	Confident	81 Å²	81	32 Å²	32	31%	0.306	16%	0.16	S	C	.	.	H	α-helix	trans	-61.5	-48.4	172.9	-173.1	-179.9	69	-161.9	-7.6	111.3	L879 E880 I881 L885 R886 D887 Y913	L879-R883 PolarHBondContact O-N 3.19Å; E880-R883 WeakPolarHBondContact O-CB 3.31Å; E880-R883 PolarHBondContact O-N 2.93Å; I881-R883 VanDerWaalsContact C-N 3.33Å; I881-R883 PolarHBondContact O-N 2.7Å; R883-L885 VanDerWaalsContact C-N 3.31Å; R883-L885 PolarHBondContact O-N 2.86Å; R883-R886 WeakPolarHBondContact O-CB 3.29Å; R883-R886 PolarHBondContact O-N 3.32Å; R883-R886 VanDerWaalsContact O-N 3.16Å; R883-D887 PolarHBondContact O-N 3.47Å; R883-Y913 PolarHBondContact NE-OH 2.79Å; R883-Y913 PolarHBondContact NH2-OH 3.28Å
884	F	82.9	Confident	75	Confident	19 Å²	19	32.2 Å²	32.2	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-40.4	177.9	167.4	-93.7	0	0	0	112.8	L815 V818 W833 E880 I881 D887 T888 P910	L815-F884 HydrophobicContact CB-CE1 4.43Å; L815-F884 HydrophobicContact CB-CZ 4.44Å; L815-F884 HydrophobicContact CD1-CB 3.78Å; L815-F884 HydrophobicContact CD1-CD1 3.55Å; L815-F884 HydrophobicContact CD1-CD2 3.72Å; L815-F884 HydrophobicContact CD1-CE1 4.02Å; L815-F884 HydrophobicContact CD1-CE2 4.19Å; L815-F884 HydrophobicContact CD1-CG 3.37Å; L815-F884 HydrophobicContact CD1-CZ 4.32Å; V818-F884 HydrophobicContact CG2-CE1 3.52Å; V818-F884 HydrophobicContact CG2-CZ 3.93Å; W833-F884 AromaticContact CH2-CD1 3.88Å; W833-F884 HydrophobicContact CH2-CD1 3.88Å; W833-F884 AromaticContact CH2-CE1 3.79Å; W833-F884 HydrophobicContact CH2-CE1 3.79Å; W833-F884 HydrophobicContact CZ2-CD1 4.24Å; W833-F884 AromaticContact CZ2-CE1 3.67Å; W833-F884 HydrophobicContact CZ2-CE1 3.67Å; E880-F884 PolarHBondContact O-N 3.32Å; I881-F884 PolarHBondContact O-N 3.26Å; F884-D887 PolarHBondContact O-N 3.32Å; F884-T888 WeakPolarHBondContact O-CB 3.45Å; F884-T888 PolarHBondContact O-N 3.42Å; F884-T888 PolarHBondContact O-OG1 3.05Å; F884-P910 HydrophobicContact CE2-CB 4.09Å
885	L	85.6	Confident	73.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-41.4	176.1	-66.6	176.2	0	0	0	111.7	V818 P822 W825 L830 W833 F858 M859 I881 A882 R883 T888 F889	V818-L885 HydrophobicContact CG2-CD2 3.99Å; P822-L885 HydrophobicContact CB-CB 4.44Å; P822-L885 HydrophobicContact CB-CD2 4.05Å; W825-L885 HydrophobicContact CH2-CD2 3.78Å; W825-L885 HydrophobicContact CZ3-CD1 4.09Å; W825-L885 HydrophobicContact CZ3-CD2 3.63Å; L830-L885 HydrophobicContact CD1-CD1 4.09Å; W833-L885 HydrophobicContact CE3-CD2 4.38Å; W833-L885 HydrophobicContact CH2-CD2 3.84Å; W833-L885 HydrophobicContact CH2-CG 4.35Å; W833-L885 HydrophobicContact CZ2-CD2 4.16Å; W833-L885 HydrophobicContact CZ3-CD1 4.12Å; W833-L885 HydrophobicContact CZ3-CD2 3.95Å; W833-L885 HydrophobicContact CZ3-CG 4.23Å; F858-L885 HydrophobicContact CD1-CD1 4.06Å; F858-L885 HydrophobicContact CE1-CD1 4.31Å; M859-L885 HydrophobicContact CG-CB 3.68Å; M859-L885 HydrophobicContact SD-CB 3.71Å; I881-L885 WeakPolarHBondContact O-CG 3.49Å; I881-L885 PolarHBondContact O-N 3.39Å; A882-L885 PolarHBondContact O-N 2.79Å; R883-L885 VanDerWaalsContact C-N 3.31Å; R883-L885 PolarHBondContact O-N 2.86Å; L885-T888 PolarHBondContact O-N 3.44Å; L885-F889 PolarHBondContact O-N 3.23Å
886	R	81.9	Confident	72.7	Confident	82 Å²	82	39.6 Å²	39.6	31%	0.309	19%	0.185	S	C	.	.	H	α-helix	trans	-59.2	-48.4	172.1	-72.6	-177	-67.7	-108.4	3.4	112	M859 A882 R883 T888 F889 M890	M859-R886 HydrophobicContact CB-CG 3.92Å; M859-R886 HydrophobicContact CG-CG 4.04Å; M859-R886 VanDerWaalsContact O-CD 3.25Å; M859-R886 WeakPolarHBondContact O-CD 2.9Å; M859-R886 PolarHBondContact O-NH1 2.84Å; M859-R886 HydrophobicContact SD-CG 4.16Å; A882-R886 WeakPolarHBondContact O-CG 3.21Å; A882-R886 PolarHBondContact O-N 3.31Å; R883-R886 WeakPolarHBondContact O-CB 3.29Å; R883-R886 PolarHBondContact O-N 3.32Å; R883-R886 VanDerWaalsContact O-N 3.16Å; R886-T888 VanDerWaalsContact C-N 3.26Å; R886-T888 PolarHBondContact O-N 2.95Å; R886-F889 PolarHBondContact O-N 3.37Å; R886-M890 WeakPolarHBondContact O-CG 3.45Å; R886-M890 PolarHBondContact O-N 3.39Å
887	D	70.4	Confident	71.3	Confident	45 Å²	45	41.9 Å²	41.9	24%	0.241	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-39.2	178.4	-64.6	-24.1	0	0	0	110.9	R883 F884 M890 A891	R883-D887 PolarHBondContact O-N 3.47Å; F884-D887 PolarHBondContact O-N 3.32Å; D887-M890 PolarHBondContact O-N 2.78Å; D887-A891 PolarHBondContact O-N 3.45Å; D887-A891 VanDerWaalsContact O-N 3.11Å
888	T	76	Confident	69.7	Low	11 Å²	11	42.1 Å²	42.1	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-71.8	-38.5	178.3	-52.9	0	0	0	0	112.6	V818 F884 L885 R886 M890 A891 Y892 I908	V818-T888 HydrophobicContact CB-CG2 3.84Å; V818-T888 HydrophobicContact CG1-CG2 3.8Å; V818-T888 HydrophobicContact CG2-CG2 4.01Å; F884-T888 WeakPolarHBondContact O-CB 3.45Å; F884-T888 PolarHBondContact O-N 3.42Å; F884-T888 PolarHBondContact O-OG1 3.05Å; L885-T888 PolarHBondContact O-N 3.44Å; R886-T888 VanDerWaalsContact C-N 3.26Å; R886-T888 PolarHBondContact O-N 2.95Å; T888-M890 VanDerWaalsContact C-N 3.33Å; T888-M890 PolarHBondContact O-N 3.45Å; T888-A891 WeakPolarHBondContact O-CB 3.36Å; T888-A891 PolarHBondContact O-N 3.05Å; T888-Y892 HydrophobicContact CG2-CD2 4.33Å; T888-Y892 HydrophobicContact CG2-CE2 4.29Å; T888-Y892 WeakPolarHBondContact O-CD2 3.29Å; T888-Y892 PolarHBondContact O-N 3.4Å; T888-Y892 VanDerWaalsContact O-N 3.08Å; T888-I908 HydrophobicContact CG2-CD1 4.47Å
889	F	77.2	Confident	67.3	Low	33 Å²	33	45.5 Å²	45.5	15%	0.145	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-42.8	171.1	168.9	-112.7	0	0	0	111.6	N821 P822 L823 M859 L885 R886 A891 Y892 M893	N821-F889 WeakPolarHBondContact OD1-CD2 3.43Å; P822-F889 HydrophobicContact CG-CB 4.23Å; L823-F889 HydrophobicContact CB-CD2 4Å; L823-F889 HydrophobicContact CB-CE2 4.04Å; L823-F889 HydrophobicContact CD2-CE2 3.81Å; L823-F889 HydrophobicContact CD2-CZ 3.93Å; L823-F889 HydrophobicContact CG-CE2 4.4Å; M859-F889 HydrophobicContact SD-CB 4.43Å; L885-F889 PolarHBondContact O-N 3.23Å; R886-F889 PolarHBondContact O-N 3.37Å; F889-A891 VanDerWaalsContact C-N 3.29Å; F889-A891 PolarHBondContact O-N 2.7Å; F889-Y892 WeakPolarHBondContact O-CB 3.38Å; F889-Y892 PolarHBondContact O-N 2.82Å; F889-M893 HydrophobicContact CD2-CG 4.22Å; F889-M893 HydrophobicContact CE1-CG 4.11Å; F889-M893 HydrophobicContact CE2-CG 3.62Å; F889-M893 HydrophobicContact CE2-SD 3.79Å; F889-M893 HydrophobicContact CZ-CG 3.56Å; F889-M893 HydrophobicContact CZ-SD 4.02Å; F889-M893 PolarHBondContact O-N 3.1Å
890	M	64.4	Low	65.2	Low	15 Å²	15	48.8 Å²	48.8	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-35.8	175.6	-67	-59.9	-69.4	0	0	112.3	R886 D887 T888 M893 L894 L944 A947 L948	R886-M890 WeakPolarHBondContact O-CG 3.45Å; R886-M890 PolarHBondContact O-N 3.39Å; D887-M890 PolarHBondContact O-N 2.78Å; T888-M890 VanDerWaalsContact C-N 3.33Å; T888-M890 PolarHBondContact O-N 3.45Å; M890-M893 PolarHBondContact O-N 3.46Å; M890-L894 WeakPolarHBondContact O-CB 3.22Å; M890-L894 VanDerWaalsContact O-CG 3.3Å; M890-L894 WeakPolarHBondContact O-CG 3.29Å; M890-L894 PolarHBondContact O-N 3.36Å; M890-L944 HydrophobicContact CE-CB 4.14Å; M890-L944 HydrophobicContact CE-CG 4.19Å; M890-A947 HydrophobicContact CE-CB 3.9Å; M890-L948 HydrophobicContact CE-CD1 4.29Å; M890-L948 HydrophobicContact CE-CG 3.87Å; M890-L948 HydrophobicContact SD-CD1 4.31Å; M890-L948 HydrophobicContact SD-CD2 3.79Å; M890-L948 HydrophobicContact SD-CG 3.78Å
891	A	63.2	Low	63.1	Low	9 Å²	9	54.5 Å²	54.5	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-43	173	0	0	0	0	0	112.5	D887 T888 F889 M893 L894 L895 F924	D887-A891 PolarHBondContact O-N 3.45Å; D887-A891 VanDerWaalsContact O-N 3.11Å; T888-A891 WeakPolarHBondContact O-CB 3.36Å; T888-A891 PolarHBondContact O-N 3.05Å; F889-A891 VanDerWaalsContact C-N 3.29Å; F889-A891 PolarHBondContact O-N 2.7Å; A891-M893 PolarHBondContact O-N 2.84Å; A891-L894 PolarHBondContact O-N 3.27Å; A891-L895 WeakPolarHBondContact O-CG 3.47Å; A891-L895 PolarHBondContact O-N 2.98Å; A891-F924 HydrophobicContact CB-CE1 4.05Å
892	Y	64.8	Low	60.5	Low	41 Å²	41	59.1 Å²	59.1	16%	0.161	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-44.3	172.4	-89	-75.2	0	0	0	112.1	V818 T888 F889 L895 H896 I908	V818-Y892 HydrophobicContact CG1-CE2 4.27Å; T888-Y892 HydrophobicContact CG2-CD2 4.33Å; T888-Y892 HydrophobicContact CG2-CE2 4.29Å; T888-Y892 WeakPolarHBondContact O-CD2 3.29Å; T888-Y892 PolarHBondContact O-N 3.4Å; T888-Y892 VanDerWaalsContact O-N 3.08Å; F889-Y892 WeakPolarHBondContact O-CB 3.38Å; F889-Y892 PolarHBondContact O-N 2.82Å; Y892-L895 PolarHBondContact O-N 3.46Å; Y892-H896 PolarHBondContact O-N 3.37Å; Y892-I908 HydrophobicContact CD1-CD1 4.27Å; Y892-I908 HydrophobicContact CD2-CD1 3.74Å; Y892-I908 HydrophobicContact CE1-CD1 4.11Å; Y892-I908 HydrophobicContact CE2-CD1 3.56Å; Y892-I908 HydrophobicContact CG-CD1 4.1Å
893	M	58.3	Low	57.9	Low	36 Å²	36	64.3 Å²	64.3	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-68.2	-39.5	179	-67.3	-47.5	-56	0	0	112.9	F889 M890 A891 L895 H896 L897 L951	F889-M893 HydrophobicContact CD2-CG 4.22Å; F889-M893 HydrophobicContact CE1-CG 4.11Å; F889-M893 HydrophobicContact CE2-CG 3.62Å; F889-M893 HydrophobicContact CE2-SD 3.79Å; F889-M893 HydrophobicContact CZ-CG 3.56Å; F889-M893 HydrophobicContact CZ-SD 4.02Å; F889-M893 PolarHBondContact O-N 3.1Å; M890-M893 PolarHBondContact O-N 3.46Å; A891-M893 PolarHBondContact O-N 2.84Å; M893-L895 VanDerWaalsContact C-N 3.33Å; M893-L895 PolarHBondContact O-N 2.83Å; M893-H896 PolarHBondContact O-N 2.95Å; M893-L897 WeakPolarHBondContact O-CB 3.48Å; M893-L897 VanDerWaalsContact O-CG 3.29Å; M893-L897 WeakPolarHBondContact O-CG 3.4Å; M893-L897 PolarHBondContact O-N 2.76Å; M893-L951 HydrophobicContact CB-CD1 4.46Å; M893-L951 HydrophobicContact CE-CD1 3.72Å; M893-L951 HydrophobicContact CE-CD2 4.11Å; M893-L951 HydrophobicContact CG-CD1 4.31Å
894	L	50.4	Low	55.5	Low	51 Å²	51	66.7 Å²	66.7	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-36.3	175.2	-73.5	168.9	0	0	0	112.1	M890 A891 S898 F924	M890-L894 WeakPolarHBondContact O-CB 3.22Å; M890-L894 VanDerWaalsContact O-CG 3.3Å; M890-L894 WeakPolarHBondContact O-CG 3.29Å; M890-L894 PolarHBondContact O-N 3.36Å; A891-L894 PolarHBondContact O-N 3.27Å; L894-S898 WeakPolarHBondContact O-CB 3.17Å; L894-S898 PolarHBondContact O-N 2.78Å; L894-S898 VanDerWaalsContact O-N 3.14Å; L894-F924 HydrophobicContact CD1-CE2 4.08Å; L894-F924 HydrophobicContact CD1-CZ 4Å
895	L	55.7	Low	52.8	Low	37 Å²	37	74.3 Å²	74.3	19%	0.194	40%	0.397	C	S	.	.	H	α-helix	trans	-63.4	-49.4	172.4	-76.4	165.1	0	0	0	111.2	A891 Y892 M893 L897 S898 L902 I908 L926	A891-L895 WeakPolarHBondContact O-CG 3.47Å; A891-L895 PolarHBondContact O-N 2.98Å; Y892-L895 PolarHBondContact O-N 3.46Å; M893-L895 VanDerWaalsContact C-N 3.33Å; M893-L895 PolarHBondContact O-N 2.83Å; L895-L897 PolarHBondContact O-N 3.37Å; L895-S898 WeakPolarHBondContact O-CB 2.93Å; L895-S898 PolarHBondContact O-N 3.12Å; L895-S898 VanDerWaalsContact O-N 3.08Å; L895-S898 PolarHBondContact O-OG 3.02Å; L895-L902 HydrophobicContact CB-CD1 4.16Å; L895-L902 HydrophobicContact CD1-CD1 4.39Å; L895-I908 HydrophobicContact CD1-CD1 4.41Å; L895-L926 HydrophobicContact CD2-CD1 4.21Å; L895-L926 HydrophobicContact CD2-CD2 4.12Å
896	H	53.6	Low	50.3	Low	145 Å²	145	81.5 Å²	81.5	67%	0.671	44%	0.435	S	S	*	.	H	α-helix	trans	-58.8	-43.1	176.6	-108	-48.7	0	0	0	112.9	Y892 M893 S898 G899	Y892-H896 PolarHBondContact O-N 3.37Å; M893-H896 PolarHBondContact O-N 2.95Å; H896-S898 PolarHBondContact O-N 2.95Å; H896-G899 PolarHBondContact O-N 2.82Å
897	L	42.6	Very low	48.2	Very low	115 Å²	115	80.9 Å²	80.9	60%	0.602	44%	0.444	S	S	*	.	H	α-helix	trans	-68.4	-17.8	177.6	-71.2	168.9	0	0	0	113.4	M893 L895 G899	M893-L897 WeakPolarHBondContact O-CB 3.48Å; M893-L897 VanDerWaalsContact O-CG 3.29Å; M893-L897 WeakPolarHBondContact O-CG 3.4Å; M893-L897 PolarHBondContact O-N 2.76Å; L895-L897 PolarHBondContact O-N 3.37Å; L897-G899 VanDerWaalsContact C-N 3.26Å; L897-G899 PolarHBondContact O-N 3.37Å
898	S	43	Very low	46.5	Very low	55 Å²	55	80.9 Å²	80.9	39%	0.385	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.6	178.8	77.8	0	0	0	0	114.7	L894 L895 H896 K900	L894-S898 WeakPolarHBondContact O-CB 3.17Å; L894-S898 PolarHBondContact O-N 2.78Å; L894-S898 VanDerWaalsContact O-N 3.14Å; L895-S898 WeakPolarHBondContact O-CB 2.93Å; L895-S898 PolarHBondContact O-N 3.12Å; L895-S898 VanDerWaalsContact O-N 3.08Å; L895-S898 PolarHBondContact O-OG 3.02Å; H896-S898 PolarHBondContact O-N 2.95Å; S898-K900 PolarHBondContact O-N 2.96Å
899	G	34	Very low	44.7	Very low	71 Å²	71	90.4 Å²	90.4	73%	0.732	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	9.7	-178	0	0	0	0	0	114.6	H896 L897	H896-G899 PolarHBondContact O-N 2.82Å; L897-G899 VanDerWaalsContact C-N 3.26Å; L897-G899 PolarHBondContact O-N 3.37Å
900	K	37.7	Very low	42.4	Very low	120 Å²	120	92.8 Å²	92.8	52%	0.522	50%	0.497	S	S	.	.			trans	-95.9	114.1	179	-64.8	175.3	-175.9	174.5	0	109.6	S898 L902	S898-K900 PolarHBondContact O-N 2.96Å; K900-L902 PolarHBondContact O-N 3.23Å
901	E	34.6	Very low	40.9	Very low	178 Å²	178	95.9 Å²	95.9	83%	0.832	52%	0.518	S	S	*	.			trans	-61.8	132.8	170.6	-62.4	-174.5	136.8	0	0	110.2	C903	E901-C903 PolarHBondContact O-N 2.87Å
902	L	31	Very low	39.3	Very low	97 Å²	97	100.3 Å²	100.3	51%	0.508	55%	0.549	S	S	.	.			trans	-73	96.4	161.5	-85.8	91.4	0	0	0	108.2	L895 K900	L895-L902 HydrophobicContact CB-CD1 4.16Å; L895-L902 HydrophobicContact CD1-CD1 4.39Å; K900-L902 PolarHBondContact O-N 3.23Å
903	C	30.4	Very low	37.5	Very low	109 Å²	109	105.1 Å²	105.1	74%	0.736	57%	0.567	S	S	*	*			trans	-53.1	140.5	156	-66.8	0	0	0	0	109	E901	E901-C903 PolarHBondContact O-N 2.87Å
904	T	27.5	Very low	36	Very low	131 Å²	131	108.6 Å²	108.6	80%	0.804	58%	0.579	S	S	*	*	S	Bend	trans	-52.1	148.3	-169.9	48.3	0	0	0	0	114.5
905	E	27.7	Very low	34.8	Very low	180 Å²	180	109.9 Å²	109.9	84%	0.841	60%	0.604	S	S	*	*			trans	59.9	78.8	168.8	-57.7	-172.7	159.1	0	0	116.3
906	N	32	Very low	33.4	Very low	150 Å²	150	112 Å²	112	80%	0.802	62%	0.622	S	S	*	*			trans	-156	150.8	147.3	-108.7	-71.4	0	0	0	112.3
907	S	37	Very low	32.2	Very low	69 Å²	69	108.6 Å²	108.6	48%	0.483	62%	0.618	S	S	.	*			trans	-92.7	133.7	-170.3	43	0	0	0	0	113.3	R909	S907-R909 PolarHBondContact O-N 3.21Å; S907-R909 VanDerWaalsContact O-N 3.17Å
908	I	36.7	Very low	31.5	Very low	45 Å²	45	108.2 Å²	108.2	23%	0.231	62%	0.617	C	S	.	*	B	Isolated β-bridge	trans	-66.1	113.6	167.5	-57	-178.1	0	0	0	107.8	T888 Y892 L895	T888-I908 HydrophobicContact CG2-CD1 4.47Å; Y892-I908 HydrophobicContact CD1-CD1 4.27Å; Y892-I908 HydrophobicContact CD2-CD1 3.74Å; Y892-I908 HydrophobicContact CE1-CD1 4.11Å; Y892-I908 HydrophobicContact CE2-CD1 3.56Å; Y892-I908 HydrophobicContact CG-CD1 4.1Å; L895-I908 HydrophobicContact CD1-CD1 4.41Å
909	R	37.1	Very low	31.1	Very low	212 Å²	212	111 Å²	111	80%	0.8	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-81.2	144.1	175	-66.9	-171.8	-178.8	-162.9	0.6	110.1	S907	S907-R909 PolarHBondContact O-N 3.21Å; S907-R909 VanDerWaalsContact O-N 3.17Å
910	P	29.8	Very low	30.9	Very low	82 Å²	82	111 Å²	111	53%	0.532	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-64.2	147.8	179.6	27.7	-35.8	0	0	0	111.2	F884	F884-P910 HydrophobicContact CE2-CB 4.09Å
911	P	31.1	Very low	30.7	Very low	81 Å²	81	108.8 Å²	108.8	53%	0.526	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-61	139.6	169.2	27.6	-34.3	0	0	0	109.7	Y913	P911-Y913 HydrophobicContact CG-CD2 4.24Å; P911-Y913 HydrophobicContact CG-CE2 4.11Å; P911-Y913 PolarHBondContact O-N 3.07Å
912	S	30	Very low	30.7	Very low	102 Å²	102	103.7 Å²	103.7	71%	0.713	58%	0.584	S	S	*	*			trans	-72.6	92.5	174.4	58.2	0	0	0	0	109.9	R914	S912-R914 PolarHBondContact O-N 2.94Å
913	Y	26.6	Very low	30.8	Very low	141 Å²	141	102 Å²	102	55%	0.553	58%	0.581	S	S	*	*			trans	-56.7	93	175.2	-95.4	-101.6	0	0	0	111	R883 P911	R883-Y913 PolarHBondContact NE-OH 2.79Å; R883-Y913 PolarHBondContact NH2-OH 3.28Å; P911-Y913 HydrophobicContact CG-CD2 4.24Å; P911-Y913 HydrophobicContact CG-CE2 4.11Å; P911-Y913 PolarHBondContact O-N 3.07Å
914	R	27.2	Very low	31.2	Very low	110 Å²	110	99.9 Å²	99.9	42%	0.415	56%	0.559	S	S	.	*			trans	-92	120.8	161.1	-64.5	-167.6	-167.5	-146.3	11.9	107.6	D523 S912 S916	D523-R914 VanDerWaalsContact CB-NH1 3.34Å; D523-R914 PolarHBondContact O-NH1 3.41Å; S912-R914 PolarHBondContact O-N 2.94Å; R914-S916 PolarHBondContact O-N 3Å; R914-S916 VanDerWaalsContact O-N 3.12Å
915	G	25.7	Very low	31.7	Very low	77 Å²	77	98.1 Å²	98.1	79%	0.794	55%	0.548	S	S	*	.			trans	-65.9	110.7	179.3	0	0	0	0	0	111.8
916	S	26.6	Very low	32.1	Very low	82 Å²	82	92 Å²	92	57%	0.573	52%	0.521	S	S	*	.			trans	-143.4	159.3	160.3	67.8	0	0	0	0	108.2	R914	R914-S916 PolarHBondContact O-N 3Å; R914-S916 VanDerWaalsContact O-N 3.12Å
917	A	28.6	Very low	32.2	Very low	73 Å²	73	91.3 Å²	91.3	60%	0.603	51%	0.511	S	S	*	.	S	Bend	trans	-88.9	-8.7	-172.1	0	0	0	0	0	114.1	F919	A917-F919 WeakPolarHBondContact O-CD2 3.3Å; A917-F919 PolarHBondContact O-N 2.82Å
918	D	28.3	Very low	32.1	Very low	108 Å²	108	90 Å²	90	58%	0.578	50%	0.502	S	S	*	.			trans	-86	70.9	-168.3	-66	-54.5	0	0	0	113.2	S920	D918-S920 PolarHBondContact O-N 3.48Å
919	F	33	Very low	32	Very low	114 Å²	114	95 Å²	95	50%	0.5	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	69.3	176.3	-69.9	-86.1	0	0	0	112.9	A917 R941	A917-F919 WeakPolarHBondContact O-CD2 3.3Å; A917-F919 PolarHBondContact O-N 2.82Å; F919-R941 WeakPolarHBondContact O-CD 3.45Å; F919-R941 PolarHBondContact O-NH1 2.99Å
920	S	31	Very low	31.8	Very low	71 Å²	71	89.4 Å²	89.4	50%	0.497	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-33.1	178.2	61.4	0	0	0	0	113.9	D918 V940 R941	D918-S920 PolarHBondContact O-N 3.48Å; S920-V940 WeakPolarHBondContact O-CG1 3.42Å; S920-R941 PolarHBondContact O-N 3.17Å; S920-R941 VanDerWaalsContact O-N 3.12Å
921	S	32	Very low	32.3	Very low	72 Å²	72	89.9 Å²	89.9	50%	0.503	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157.1	-179	61.8	0	0	0	0	113	V939	S921-V939 WeakPolarHBondContact CA-O 3.31Å
922	Y	34.6	Very low	32.6	Very low	71 Å²	71	88.2 Å²	88.2	28%	0.278	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135	175.5	-61.8	-103.6	0	0	0	108.3	S938 V939 R941 L944	Y922-S938 CarbonylContact O-C 3.59Å; Y922-S938 VanDerWaalsContact O-CA 3.28Å; Y922-S938 WeakPolarHBondContact O-CA 3.43Å; Y922-V939 PolarHBondContact N-O 3.41Å; Y922-V939 PolarHBondContact O-N 3.21Å; Y922-R941 HydrophobicContact CE2-CG 4.43Å; Y922-L944 HydrophobicContact CD2-CD1 3.86Å; Y922-L944 HydrophobicContact CE1-CD2 4.46Å; Y922-L944 HydrophobicContact CE2-CD1 3.76Å; Y922-L944 HydrophobicContact CE2-CD2 3.86Å; Y922-L944 HydrophobicContact CE2-CG 4.49Å
923	S	34.1	Very low	32.8	Very low	62 Å²	62	90.7 Å²	90.7	43%	0.434	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.7	170.7	79.3	0	0	0	0	113	E936 I937	S923-E936 WeakPolarHBondContact CB-OE1 2.9Å; S923-E936 PolarHBondContact OG-OE1 2.87Å; S923-I937 WeakPolarHBondContact CA-O 3.24Å
924	F	37.8	Very low	33.6	Very low	64 Å²	64	89.8 Å²	89.8	28%	0.281	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125	178.9	-57.3	-90	0	0	0	110	A891 L894 E936 I937 V939	A891-F924 HydrophobicContact CB-CE1 4.05Å; L894-F924 HydrophobicContact CD1-CE2 4.08Å; L894-F924 HydrophobicContact CD1-CZ 4Å; F924-E936 CarbonylContact O-C 3.53Å; F924-E936 WeakPolarHBondContact O-CA 3.25Å; F924-I937 PolarHBondContact N-O 2.91Å; F924-I937 PolarHBondContact O-N 3.12Å; F924-V939 HydrophobicContact CD2-CG2 4.09Å; F924-V939 HydrophobicContact CE2-CB 4.19Å; F924-V939 HydrophobicContact CE2-CG2 3.76Å
925	T	38.7	Very low	34	Very low	94 Å²	94	88.2 Å²	88.2	58%	0.577	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	111	175.4	-38.6	0	0	0	0	110.7	E934	T925-E934 HydrophobicContact CG2-CB 3.98Å; T925-E934 HydrophobicContact CG2-CG 4.28Å
926	L	36.9	Very low	34.7	Very low	53 Å²	53	90.7 Å²	90.7	28%	0.277	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.9	173.1	-64.4	-177.3	0	0	0	111	L895 E934 T935 I937	L895-L926 HydrophobicContact CD2-CD1 4.21Å; L895-L926 HydrophobicContact CD2-CD2 4.12Å; L926-E934 CarbonylContact O-C 3.58Å; L926-E934 WeakPolarHBondContact O-CA 3.42Å; L926-T935 PolarHBondContact N-O 3.2Å; L926-T935 PolarHBondContact O-N 3.39Å; L926-T935 PolarHBondContact O-OG1 3.46Å; L926-T935 VanDerWaalsContact O-OG1 3.11Å; L926-I937 HydrophobicContact CD1-CD1 3.7Å; L926-I937 HydrophobicContact CG-CD1 4.4Å
927	K	34.4	Very low	35.1	Very low	135 Å²	135	90 Å²	90	59%	0.587	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.6	178.5	-165.6	162.2	-165.7	149.5	0	111.2	V929 G932 E934	K927-V929 PolarHBondContact O-N 2.98Å; K927-G932 WeakPolarHBondContact CE-O 3.36Å; K927-E934 HydrophobicContact CB-CG 4.08Å; K927-E934 HydrophobicContact CD-CG 3.9Å; K927-E934 WeakPolarHBondContact CD-OE1 3.2Å; K927-E934 WeakPolarHBondContact CE-OE1 3.48Å; K927-E934 HydrophobicContact CG-CG 3.82Å; K927-E934 IonicContact NZ-OE1 3.1Å; K927-E934 PolarHBondContact NZ-OE1 3.12Å
928	S	33.2	Very low	35.5	Very low	42 Å²	42	90.6 Å²	90.6	29%	0.294	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-73.9	117.3	179.9	176.9	0	0	0	0	111.2	A930 T931 G932 K933	S928-A930 PolarHBondContact O-N 2.93Å; S928-T931 WeakPolarHBondContact CB-OG1 3.35Å; S928-T931 PolarHBondContact O-N 3.34Å; S928-T931 PolarHBondContact OG-N 2.91Å; S928-T931 PolarHBondContact OG-OG1 2.82Å; S928-G932 WeakPolarHBondContact O-CA 3.25Å; S928-G932 PolarHBondContact O-N 3.45Å; S928-K933 PolarHBondContact N-O 3.25Å
929	V	34.3	Very low	35.9	Very low	148 Å²	148	86.1 Å²	86.1	90%	0.897	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-34.8	175.1	-178.5	0	0	0	0	111.6	K927	K927-V929 PolarHBondContact O-N 2.98Å
930	A	34.6	Very low	36.1	Very low	96 Å²	96	84.6 Å²	84.6	79%	0.793	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-18.1	-177	0	0	0	0	0	114.9	S928	S928-A930 PolarHBondContact O-N 2.93Å
931	T	39.5	Very low	36.3	Very low	92 Å²	92	87.6 Å²	87.6	56%	0.564	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	-6.2	-173.4	65.4	0	0	0	0	115	S928 K933	S928-T931 WeakPolarHBondContact CB-OG1 3.35Å; S928-T931 PolarHBondContact O-N 3.34Å; S928-T931 PolarHBondContact OG-N 2.91Å; S928-T931 PolarHBondContact OG-OG1 2.82Å; T931-K933 PolarHBondContact O-N 3.38Å
932	G	37.8	Very low	36.6	Very low	46 Å²	46	87 Å²	87	47%	0.474	49%	0.485	S	S	.	.			trans	68.6	-13.7	-174.3	0	0	0	0	0	115.2	K927 S928 E934	K927-G932 WeakPolarHBondContact CE-O 3.36Å; S928-G932 WeakPolarHBondContact O-CA 3.25Å; S928-G932 PolarHBondContact O-N 3.45Å; G932-E934 PolarHBondContact O-N 3.21Å
933	K	34.3	Very low	37	Very low	154 Å²	154	88 Å²	88	67%	0.67	50%	0.495	S	S	*	.			trans	-60.9	132.9	179.5	-73.4	-173.5	173.3	-177.5	0	111	S928 T931	S928-K933 PolarHBondContact N-O 3.25Å; T931-K933 PolarHBondContact O-N 3.38Å
934	E	42.1	Very low	37.3	Very low	121 Å²	121	86.2 Å²	86.2	57%	0.565	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.4	166.2	-72.4	168.9	-175.7	0	0	108.4	T925 L926 K927 G932	T925-E934 HydrophobicContact CG2-CB 3.98Å; T925-E934 HydrophobicContact CG2-CG 4.28Å; L926-E934 CarbonylContact O-C 3.58Å; L926-E934 WeakPolarHBondContact O-CA 3.42Å; K927-E934 HydrophobicContact CB-CG 4.08Å; K927-E934 HydrophobicContact CD-CG 3.9Å; K927-E934 WeakPolarHBondContact CD-OE1 3.2Å; K927-E934 WeakPolarHBondContact CE-OE1 3.48Å; K927-E934 HydrophobicContact CG-CG 3.82Å; K927-E934 IonicContact NZ-OE1 3.1Å; K927-E934 PolarHBondContact NZ-OE1 3.12Å; G932-E934 PolarHBondContact O-N 3.21Å
935	T	37.4	Very low	37.4	Very low	77 Å²	77	85.6 Å²	85.6	47%	0.472	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120	-176.9	-10.7	0	0	0	0	107.3	L926	L926-T935 PolarHBondContact N-O 3.2Å; L926-T935 PolarHBondContact O-N 3.39Å; L926-T935 PolarHBondContact O-OG1 3.46Å; L926-T935 VanDerWaalsContact O-OG1 3.11Å
936	E	38.7	Very low	37.7	Very low	129 Å²	129	85.6 Å²	85.6	60%	0.603	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.6	176.4	-170.3	164.8	-154.1	0	0	110.1	S923 F924	S923-E936 WeakPolarHBondContact CB-OE1 2.9Å; S923-E936 PolarHBondContact OG-OE1 2.87Å; F924-E936 CarbonylContact O-C 3.53Å; F924-E936 WeakPolarHBondContact O-CA 3.25Å
937	I	36.9	Very low	38	Very low	67 Å²	67	83.5 Å²	83.5	34%	0.344	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.5	178.7	-58.8	179.1	0	0	0	108.2	S923 F924 L926 V939	S923-I937 WeakPolarHBondContact CA-O 3.24Å; F924-I937 PolarHBondContact N-O 2.91Å; F924-I937 PolarHBondContact O-N 3.12Å; L926-I937 HydrophobicContact CD1-CD1 3.7Å; L926-I937 HydrophobicContact CG-CD1 4.4Å; I937-V939 HydrophobicContact CG2-CG2 4.17Å
938	S	35.6	Very low	38.2	Very low	87 Å²	87	81 Å²	81	61%	0.608	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	124	175.5	-57.7	0	0	0	0	111.4	Y922	Y922-S938 CarbonylContact O-C 3.59Å; Y922-S938 VanDerWaalsContact O-CA 3.28Å; Y922-S938 WeakPolarHBondContact O-CA 3.43Å
939	V	36.5	Very low	38.7	Very low	14 Å²	14	83.5 Å²	83.5	9%	0.085	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.9	179.6	-177.2	0	0	0	0	109.5	S921 Y922 F924 I937 L943 L944	S921-V939 WeakPolarHBondContact CA-O 3.31Å; Y922-V939 PolarHBondContact N-O 3.41Å; Y922-V939 PolarHBondContact O-N 3.21Å; F924-V939 HydrophobicContact CD2-CG2 4.09Å; F924-V939 HydrophobicContact CE2-CB 4.19Å; F924-V939 HydrophobicContact CE2-CG2 3.76Å; I937-V939 HydrophobicContact CG2-CG2 4.17Å; V939-L943 HydrophobicContact CG1-CB 3.94Å; V939-L943 HydrophobicContact CG1-CD1 3.99Å; V939-L944 HydrophobicContact CG1-CD1 3.92Å
940	V	38.3	Very low	39.3	Very low	81 Å²	81	81.8 Å²	81.8	49%	0.491	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.6	-179.3	-160.9	0	0	0	0	110.3	S920 P942 L943	S920-V940 WeakPolarHBondContact O-CG1 3.42Å; V940-P942 VanDerWaalsContact C-N 3.35Å; V940-P942 WeakPolarHBondContact O-CD 3.32Å; V940-P942 VanDerWaalsContact O-N 3.08Å; V940-L943 WeakPolarHBondContact O-CB 3.49Å; V940-L943 PolarHBondContact O-N 2.95Å
941	R	33.9	Very low	39.6	Very low	135 Å²	135	81.1 Å²	81.1	51%	0.509	44%	0.442	S	S	.	.	H	α-helix	trans	-49.1	-34.3	-171.2	-159.6	164.7	179.2	-167.1	-0.5	117	F919 S920 Y922 L943 L944	F919-R941 WeakPolarHBondContact O-CD 3.45Å; F919-R941 PolarHBondContact O-NH1 2.99Å; S920-R941 PolarHBondContact O-N 3.17Å; S920-R941 VanDerWaalsContact O-N 3.12Å; Y922-R941 HydrophobicContact CE2-CG 4.43Å; R941-L943 PolarHBondContact O-N 3.13Å; R941-L944 PolarHBondContact O-N 3.33Å
942	P	38.7	Very low	39.4	Very low	58 Å²	58	81.1 Å²	81.1	38%	0.377	44%	0.438	S	S	.	.	H	α-helix	trans	-59.4	-29.9	174.9	-26.5	36.8	0	0	0	114.6	V940 L944 A945 I946	V940-P942 VanDerWaalsContact C-N 3.35Å; V940-P942 WeakPolarHBondContact O-CD 3.32Å; V940-P942 VanDerWaalsContact O-N 3.08Å; P942-L944 VanDerWaalsContact C-N 3.33Å; P942-L944 PolarHBondContact O-N 3.45Å; P942-A945 PolarHBondContact O-N 2.96Å; P942-I946 WeakPolarHBondContact O-CG1 3.34Å; P942-I946 PolarHBondContact O-N 3.33Å; P942-I946 VanDerWaalsContact O-N 3.17Å
943	L	42.8	Very low	39.2	Very low	93 Å²	93	83.2 Å²	83.2	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-68.3	-31.2	-179.2	-65.9	170.2	0	0	0	112.4	V939 V940 R941 I946 A947	V939-L943 HydrophobicContact CG1-CB 3.94Å; V939-L943 HydrophobicContact CG1-CD1 3.99Å; V940-L943 WeakPolarHBondContact O-CB 3.49Å; V940-L943 PolarHBondContact O-N 2.95Å; R941-L943 PolarHBondContact O-N 3.13Å; L943-I946 PolarHBondContact O-N 2.03Å; L943-A947 WeakPolarHBondContact O-CB 3.45Å; L943-A947 PolarHBondContact O-N 3.03Å
944	L	41.2	Very low	39.2	Very low	24 Å²	24	83.6 Å²	83.6	13%	0.126	45%	0.448	C	S	.	.	H	α-helix	trans	-65.9	-41.3	174.7	-78.6	81.1	0	0	0	111.4	M890 Y922 V939 R941 P942 A947 L948	M890-L944 HydrophobicContact CE-CB 4.14Å; M890-L944 HydrophobicContact CE-CG 4.19Å; Y922-L944 HydrophobicContact CD2-CD1 3.86Å; Y922-L944 HydrophobicContact CE1-CD2 4.46Å; Y922-L944 HydrophobicContact CE2-CD1 3.76Å; Y922-L944 HydrophobicContact CE2-CD2 3.86Å; Y922-L944 HydrophobicContact CE2-CG 4.49Å; V939-L944 HydrophobicContact CG1-CD1 3.92Å; R941-L944 PolarHBondContact O-N 3.33Å; P942-L944 VanDerWaalsContact C-N 3.33Å; P942-L944 PolarHBondContact O-N 3.45Å; L944-A947 PolarHBondContact O-N 2.92Å; L944-L948 WeakPolarHBondContact O-CG 3.41Å; L944-L948 PolarHBondContact O-N 2.9Å
945	A	40.8	Very low	38.9	Very low	52 Å²	52	85.3 Å²	85.3	43%	0.43	46%	0.461	S	S	.	.	H	α-helix	trans	-64.9	-41.5	178.1	0	0	0	0	0	111.6	P942 L948 L949	P942-A945 PolarHBondContact O-N 2.96Å; A945-L948 PolarHBondContact O-N 3.29Å; A945-L949 VanDerWaalsContact O-CG 3.31Å; A945-L949 WeakPolarHBondContact O-CG 3.3Å; A945-L949 PolarHBondContact O-N 2.88Å; A945-L949 VanDerWaalsContact O-N 3.12Å
946	I	44.4	Very low	38.9	Very low	93 Å²	93	85 Å²	85	48%	0.477	46%	0.462	S	S	.	.	H	α-helix	trans	-63.5	-46.2	176.3	-67.3	165.9	0	0	0	110.8	P942 L943 L948 L949 I950	P942-I946 WeakPolarHBondContact O-CG1 3.34Å; P942-I946 PolarHBondContact O-N 3.33Å; P942-I946 VanDerWaalsContact O-N 3.17Å; L943-I946 PolarHBondContact O-N 2.03Å; I946-L948 PolarHBondContact O-N 3.41Å; I946-L949 PolarHBondContact O-N 2.98Å; I946-I950 HydrophobicContact CG2-CD1 3.79Å; I946-I950 WeakPolarHBondContact O-CG1 3.24Å; I946-I950 PolarHBondContact O-N 3.42Å
947	A	42.1	Very low	38.6	Very low	10 Å²	10	84 Å²	84	8%	0.083	45%	0.453	C	S	.	.	H	α-helix	trans	-61.4	-44	178.1	0	0	0	0	0	112.7	M890 L943 L944 L949 I950 L951	M890-A947 HydrophobicContact CE-CB 3.9Å; L943-A947 WeakPolarHBondContact O-CB 3.45Å; L943-A947 PolarHBondContact O-N 3.03Å; L944-A947 PolarHBondContact O-N 2.92Å; A947-L949 VanDerWaalsContact C-N 3.33Å; A947-L949 PolarHBondContact O-N 3.47Å; A947-I950 PolarHBondContact O-N 2.84Å; A947-L951 WeakPolarHBondContact O-CD1 3.49Å
948	L	40.2	Very low	38.4	Very low	81 Å²	81	90 Å²	90	42%	0.424	48%	0.476	S	S	.	.	H	α-helix	trans	-62.1	-36.2	176.3	-80.1	162.1	0	0	0	113	M890 L944 A945 I946	M890-L948 HydrophobicContact CE-CD1 4.29Å; M890-L948 HydrophobicContact CE-CG 3.87Å; M890-L948 HydrophobicContact SD-CD1 4.31Å; M890-L948 HydrophobicContact SD-CD2 3.79Å; M890-L948 HydrophobicContact SD-CG 3.78Å; L944-L948 WeakPolarHBondContact O-CG 3.41Å; L944-L948 PolarHBondContact O-N 2.9Å; A945-L948 PolarHBondContact O-N 3.29Å; I946-L948 PolarHBondContact O-N 3.41Å
949	L	42.7	Very low	38.1	Very low	95 Å²	95	92.9 Å²	92.9	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-72.6	-31.1	179.2	-74.7	167.8	0	0	0	113.5	A945 I946 A947 V964	A945-L949 VanDerWaalsContact O-CG 3.31Å; A945-L949 WeakPolarHBondContact O-CG 3.3Å; A945-L949 PolarHBondContact O-N 2.88Å; A945-L949 VanDerWaalsContact O-N 3.12Å; I946-L949 PolarHBondContact O-N 2.98Å; A947-L949 VanDerWaalsContact C-N 3.33Å; A947-L949 PolarHBondContact O-N 3.47Å; L949-V964 HydrophobicContact CD1-CG1 4.48Å; L949-V964 HydrophobicContact CD2-CG2 4.31Å
950	I	46.3	Very low	37.8	Very low	113 Å²	113	98.2 Å²	98.2	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-71	-40.7	-178	-71.2	165.2	0	0	0	111.4	I946 A947 R957	I946-I950 HydrophobicContact CG2-CD1 3.79Å; I946-I950 WeakPolarHBondContact O-CG1 3.24Å; I946-I950 PolarHBondContact O-N 3.42Å; A947-I950 PolarHBondContact O-N 2.84Å; I950-R957 PolarHBondContact O-NH2 3.38Å
951	L	41.4	Very low	37.4	Very low	81 Å²	81	100.3 Å²	100.3	42%	0.424	52%	0.516	S	S	.	.	H	α-helix	trans	-94.2	-11.2	-160.7	-67.8	164.1	0	0	0	115.8	M893 A947	M893-L951 HydrophobicContact CB-CD1 4.46Å; M893-L951 HydrophobicContact CE-CD1 3.72Å; M893-L951 HydrophobicContact CE-CD2 4.11Å; M893-L951 HydrophobicContact CG-CD1 4.31Å; A947-L951 WeakPolarHBondContact O-CD1 3.49Å
952	L	34.7	Very low	37.2	Very low	92 Å²	92	103.1 Å²	103.1	48%	0.482	53%	0.532	S	S	.	.	S	Bend	trans	-74.4	135.1	-176.8	-75.6	169.4	0	0	0	113.3	R957	L952-R957 VanDerWaalsContact O-CZ 3.26Å; L952-R957 PolarHBondContact O-NE 3.29Å; L952-R957 PolarHBondContact O-NH2 3.27Å
953	P	34.4	Very low	36.9	Very low	91 Å²	91	105.5 Å²	105.5	59%	0.591	54%	0.538	S	S	*	.			trans	-56.1	152	177.5	-27.5	35.7	0	0	0	114.4	N955 S956	P953-N955 VanDerWaalsContact C-N 3.33Å; P953-N955 PolarHBondContact O-N 2.98Å; P953-S956 PolarHBondContact O-N 3.33Å
954	Q	34.7	Very low	36.4	Very low	161 Å²	161	104.2 Å²	104.2	75%	0.752	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-59.1	-36.3	-170	-70.9	-163.9	1.5	0	0	114.6	S956 R957	Q954-S956 VanDerWaalsContact C-N 3.27Å; Q954-S956 PolarHBondContact O-N 3.3Å; Q954-R957 WeakPolarHBondContact O-CB 3.47Å; Q954-R957 PolarHBondContact O-N 2.96Å; Q954-R957 VanDerWaalsContact O-N 3.12Å
955	N	34.9	Very low	35.8	Very low	158 Å²	158	111.9 Å²	111.9	85%	0.845	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-62.3	-33	-176.7	-72	-9.7	0	0	0	113	P953 R957	P953-N955 VanDerWaalsContact C-N 3.33Å; P953-N955 PolarHBondContact O-N 2.98Å; N955-R957 VanDerWaalsContact C-N 3.29Å; N955-R957 PolarHBondContact O-N 3.4Å
956	S	38.5	Very low	35.3	Very low	70 Å²	70	118 Å²	118	49%	0.49	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-74.8	-17.2	179.3	-48.2	0	0	0	0	113.4	P953 Q954 K958	P953-S956 PolarHBondContact O-N 3.33Å; Q954-S956 VanDerWaalsContact C-N 3.27Å; Q954-S956 PolarHBondContact O-N 3.3Å; S956-K958 VanDerWaalsContact C-N 3.34Å; S956-K958 PolarHBondContact O-N 3.14Å
957	R	32.4	Very low	34.6	Very low	108 Å²	108	120.3 Å²	120.3	41%	0.408	59%	0.593	S	S	.	*	H	α-helix	trans	-70.7	-25.3	-172.4	-59.9	-175.5	-178.1	-151.3	-7.4	113.3	I950 L952 Q954 N955 L959 L961	I950-R957 PolarHBondContact O-NH2 3.38Å; L952-R957 VanDerWaalsContact O-CZ 3.26Å; L952-R957 PolarHBondContact O-NE 3.29Å; L952-R957 PolarHBondContact O-NH2 3.27Å; Q954-R957 WeakPolarHBondContact O-CB 3.47Å; Q954-R957 PolarHBondContact O-N 2.96Å; Q954-R957 VanDerWaalsContact O-N 3.12Å; N955-R957 VanDerWaalsContact C-N 3.29Å; N955-R957 PolarHBondContact O-N 3.4Å; R957-L959 PolarHBondContact O-N 3.1Å; R957-L961 HydrophobicContact CB-CD1 4.29Å; R957-L961 VanDerWaalsContact O-CD1 3.29Å; R957-L961 WeakPolarHBondContact O-CD1 3.23Å
958	K	31.5	Very low	33.8	Very low	192 Å²	192	123.8 Å²	123.8	84%	0.835	63%	0.63	S	S	*	*	H	α-helix	trans	-72.7	-22.8	-175.3	-78.9	-175.1	174.9	178.6	0	115.3	S956	S956-K958 VanDerWaalsContact C-N 3.34Å; S956-K958 PolarHBondContact O-N 3.14Å
959	L	29.6	Very low	33.2	Very low	149 Å²	149	127 Å²	127	78%	0.78	65%	0.647	S	S	*	*	H	α-helix	trans	-87.2	-34.8	178.2	-102.4	68.1	0	0	0	113.4	R957	R957-L959 PolarHBondContact O-N 3.1Å
960	Q	31.2	Very low	32.5	Very low	126 Å²	126	125.9 Å²	125.9	59%	0.589	66%	0.658	S	S	*	*	H	α-helix	trans	-92.9	-18.2	-170	-68.2	-64.5	-10.8	0	0	115	K962 H963	Q960-K962 PolarHBondContact O-N 2.81Å; Q960-H963 PolarHBondContact O-N 2.99Å; Q960-H963 VanDerWaalsContact O-N 3.1Å
961	L	29.5	Very low	31.6	Very low	124 Å²	124	126.7 Å²	126.7	65%	0.649	67%	0.669	S	S	*	*	H	α-helix	trans	-60.4	-19.4	-177.3	-114.4	88.1	0	0	0	114.5	R957 H963	R957-L961 HydrophobicContact CB-CD1 4.29Å; R957-L961 VanDerWaalsContact O-CD1 3.29Å; R957-L961 WeakPolarHBondContact O-CD1 3.23Å; L961-H963 VanDerWaalsContact C-N 3.3Å; L961-H963 PolarHBondContact O-N 3.47Å
962	K	29.7	Very low	30.8	Very low	194 Å²	194	128.4 Å²	128.4	84%	0.843	69%	0.687	S	S	*	*	H	α-helix	trans	-72.1	-14.3	176.7	-79.1	-173.7	173.2	-178.1	0	114.9	Q960	Q960-K962 PolarHBondContact O-N 2.81Å
963	H	32.3	Very low	30.5	Very low	109 Å²	109	132.4 Å²	132.4	51%	0.505	71%	0.707	S	S	.	*	H	α-helix	trans	-103.1	-23	-179.2	-78.4	105.3	0	0	0	114.8	Q960 L961 H965	Q960-H963 PolarHBondContact O-N 2.99Å; Q960-H963 VanDerWaalsContact O-N 3.1Å; L961-H963 VanDerWaalsContact C-N 3.3Å; L961-H963 PolarHBondContact O-N 3.47Å; H963-H965 VanDerWaalsContact C-N 3.31Å; H963-H965 PolarHBondContact O-N 3.12Å
964	V	31.9	Very low	30	Very low	66 Å²	66	131.6 Å²	131.6	40%	0.4	70%	0.704	S	S	.	*	H	α-helix	trans	-70.5	-26.3	-173.6	-176.7	0	0	0	0	112.7	L949 R966 L967	L949-V964 HydrophobicContact CD1-CG1 4.48Å; L949-V964 HydrophobicContact CD2-CG2 4.31Å; V964-R966 PolarHBondContact O-N 2.72Å; V964-L967 PolarHBondContact O-N 2.79Å
965	H	29.1	Very low	29.6	Very low	184 Å²	184	126.9 Å²	126.9	85%	0.852	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	8.3	-173.2	-141.2	-64.1	0	0	0	115.4	H963	H963-H965 VanDerWaalsContact C-N 3.31Å; H963-H965 PolarHBondContact O-N 3.12Å
966	R	30.8	Very low	29.3	Very low	182 Å²	182	126.3 Å²	126.3	69%	0.687	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-2.4	178.1	-81.4	-175.7	168.3	-173.5	-6.1	114.8	G164 V964 G968	G164-R966 PolarHBondContact O-NH1 3.23Å; V964-R966 PolarHBondContact O-N 2.72Å; R966-G968 PolarHBondContact O-N 3.31Å
967	L	28.4	Very low	28.7	Very low	140 Å²	140	131.2 Å²	131.2	73%	0.733	70%	0.698	S	S	*	*			trans	-94.2	91.1	-179.3	-67.8	173.7	0	0	0	111.4	V964 L969	V964-L967 PolarHBondContact O-N 2.79Å; L967-L969 VanDerWaalsContact C-N 3.28Å; L967-L969 PolarHBondContact O-N 3.25Å
968	G	25	Very low	28.3	Very low	84 Å²	84	134.1 Å²	134.1	87%	0.866	72%	0.716	S	S	*	*			trans	-72.4	58.7	-174.1	0	0	0	0	0	116.4	R966 G970	R966-G968 PolarHBondContact O-N 3.31Å; G968-G970 PolarHBondContact O-N 2.66Å
969	L	29.3	Very low	28.1	Very low	148 Å²	148	132.2 Å²	132.2	78%	0.775	71%	0.714	S	S	*	*			trans	-92	88.1	174.8	-73.3	175.2	0	0	0	111.9	L967	L967-L969 VanDerWaalsContact C-N 3.28Å; L967-L969 PolarHBondContact O-N 3.25Å
970	G	26	Very low	27.9	Very low	72 Å²	72	131 Å²	131	74%	0.742	71%	0.708	S	S	*	*			trans	-113.4	83.5	178.8	0	0	0	0	0	114.4	G968	G968-G970 PolarHBondContact O-N 2.66Å
971	T	28.6	Very low	27.6	Very low	130 Å²	130	133.6 Å²	133.6	80%	0.798	72%	0.717	S	S	*	*			trans	-144.2	142.7	155	37.6	0	0	0	0	109.9
972	S	25.2	Very low	27.5	Very low	116 Å²	116	132 Å²	132	81%	0.811	72%	0.717	S	S	*	*			trans	-94.7	144	-174	45.8	0	0	0	0	112.9
973	I	27.5	Very low	27.2	Very low	176 Å²	176	131.7 Å²	131.7	90%	0.903	72%	0.715	S	S	*	*			trans	-127.3	127.6	151.7	-61.4	-179.7	0	0	0	106.3
974	S	24.9	Very low	26.9	Very low	74 Å²	74	135.3 Å²	135.3	52%	0.517	73%	0.733	S	S	.	*			trans	-103.9	164.5	-178.7	56.4	0	0	0	0	112.3	M1	M1-S974 PolarHBondContact SD-OG 3.26Å
975	S	25.6	Very low	26.6	Very low	62 Å²	62	141.8 Å²	141.8	43%	0.434	76%	0.761	S	S	.	*			trans	54.8	107.4	156.3	59.5	0	0	0	0	118.9	M1	M1-S975 WeakPolarHBondContact CE-OG 3.49Å; M1-S975 PolarHBondContact SD-OG 2.85Å
976	N	28.5	Very low	26.4	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	76%	0.764	S	S	*	*				-159.9	120.3	90.9	-87.6	-32.8	0	0	0	108.4
977	K	25.7	Very low	26.3	Very low	173 Å²	173	144.1 Å²	144.1	75%	0.752	77%	0.77	S	S	*	*				85.1	105.6	67.2	-93.2	-154.1	170.7	-174.2	0	113.6
978	H	25.1	Very low	26.4	Very low	168 Å²	168	141.1 Å²	141.1	78%	0.778	75%	0.752	S	S	*	*			trans	70.4	167.2	150.4	-73.4	-105.6	0	0	0	120.1
979	L	26.3	Very low	26.8	Very low	153 Å²	153	146 Å²	146	80%	0.801	75%	0.752	S	S	*	*			trans	70.1	134.9	-173.9	-68.6	89.1	0	0	0	116
980	L	24.8	Very low	26.7	Very low	124 Å²	124	144.8 Å²	144.8	65%	0.649	76%	0.755	S	S	*	*			cis	-165.5	159.9	-26	-127.6	176.2	0	0	0	109.1
981	F	26.2	Very low	27	Very low	179 Å²	179	146.2 Å²	146.2	79%	0.785	74%	0.738	S	S	*	*			trans	62.4	157.5	173.6	-59	-76.6	0	0	0	118.4
982	S	26	Very low	27.3	Very low	91 Å²	91	148.5 Å²	148.5	64%	0.636	73%	0.732	S	S	*	*			cis	-165.6	150.8	-47.9	51.1	0	0	0	0	110.5
983	K	24.2	Very low	27.6	Very low	187 Å²	187	148.2 Å²	148.2	81%	0.813	73%	0.73	S	S	*	*			trans	31.1	109.2	152.1	-62.9	178.6	177.7	179.5	0	118.5
984	E	25.9	Very low	27.9	Very low	186 Å²	186	146.7 Å²	146.7	87%	0.869	72%	0.723	S	S	*	*				158.8	93.8	121.2	-88.8	166.6	-157	0	0	112.9
985	M	26.4	Very low	28.3	Very low	202 Å²	202	148.9 Å²	148.9	100%	0.995	73%	0.725	S	S	*	*			trans	-173	54.3	145.1	-107.6	-169.8	-177.1	0	0	112.2
986	R	25.1	Very low	28.6	Very low	244 Å²	244	150.6 Å²	150.6	92%	0.921	74%	0.743	S	S	*	*			trans	-93.8	106.2	160.4	-75.7	-176.1	178.6	-179.3	-0.8	108.4
987	Q	27.2	Very low	28.5	Very low	171 Å²	171	149.6 Å²	149.6	80%	0.799	74%	0.737	S	S	*	*	S	Bend	trans	-176.8	-44.1	146.1	-106.8	158.6	-6.7	0	0	115.3
988	E	30.6	Very low	28.7	Very low	77 Å²	77	148.1 Å²	148.1	36%	0.36	74%	0.737	S	S	.	*	S	Bend	trans	-98.6	3.4	-147.2	-162.6	56.4	-177.9	0	0	117.8	R991 R992	E988-R991 IonicContact OE1-CZ 3.15Å; E988-R991 IonicContact OE1-NH2 2.72Å; E988-R991 PolarHBondContact OE1-NH2 2.99Å; E988-R991 IonicContact OE2-CZ 3.89Å; E988-R991 IonicContact OE2-NE 3.18Å; E988-R991 PolarHBondContact OE2-NE 2.86Å; E988-R991 IonicContact OE2-NH2 3.52Å; E988-R991 PolarHBondContact OE2-NH2 2.66Å; E988-R992 IonicContact OE1-CZ 3.18Å; E988-R992 IonicContact OE1-NE 2.76Å; E988-R992 PolarHBondContact OE1-NE 2.62Å; E988-R992 IonicContact OE1-NH2 2.73Å; E988-R992 PolarHBondContact OE1-NH2 2.92Å
989	Q	32.8	Very low	28.9	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	73%	0.732	S	S	*	*	S	Bend	trans	-113.7	-15.5	178	-152.3	159.6	14	0	0	115.8	R991	Q989-R991 PolarHBondContact O-N 3.46Å
990	C	28.4	Very low	29.1	Very low	123 Å²	123	145.7 Å²	145.7	83%	0.831	72%	0.724	S	S	*	*	S	Bend	trans	-76.6	-7.7	160.2	-81	0	0	0	0	112.8
991	R	32.7	Very low	29.2	Very low	102 Å²	102	147.9 Å²	147.9	39%	0.385	73%	0.731	S	S	.	*	S	Bend	trans	-106.1	-6.2	-169.6	-147.3	-178.3	64.6	70.8	3.3	115	E988 Q989 E995	E988-R991 IonicContact OE1-CZ 3.15Å; E988-R991 IonicContact OE1-NH2 2.72Å; E988-R991 PolarHBondContact OE1-NH2 2.99Å; E988-R991 IonicContact OE2-CZ 3.89Å; E988-R991 IonicContact OE2-NE 3.18Å; E988-R991 PolarHBondContact OE2-NE 2.86Å; E988-R991 IonicContact OE2-NH2 3.52Å; E988-R991 PolarHBondContact OE2-NH2 2.66Å; Q989-R991 PolarHBondContact O-N 3.46Å; R991-E995 IonicContact NH1-OE1 2.89Å; R991-E995 PolarHBondContact NH1-OE1 2.8Å; R991-E995 VanDerWaalsContact NH1-OE1 3.11Å; R991-E995 IonicContact NH1-OE2 2.78Å; R991-E995 PolarHBondContact NH1-OE2 3.3Å
992	R	35.1	Very low	29.3	Very low	178 Å²	178	144 Å²	144	67%	0.672	72%	0.721	S	S	*	*	S	Bend	trans	-112.4	15.7	-171.2	-71.5	-166.5	178.8	-154.2	2.6	116.4	E988	E988-R992 IonicContact OE1-CZ 3.18Å; E988-R992 IonicContact OE1-NE 2.76Å; E988-R992 PolarHBondContact OE1-NE 2.62Å; E988-R992 IonicContact OE1-NH2 2.73Å; E988-R992 PolarHBondContact OE1-NH2 2.92Å
993	S	30.7	Very low	29.2	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	73%	0.728	S	S	*	*	S	Bend	trans	-142.8	5	167.6	-52.5	0	0	0	0	114.3
994	L	32.6	Very low	29.5	Very low	144 Å²	144	144.5 Å²	144.5	75%	0.754	72%	0.721	S	S	*	*	S	Bend	trans	-101.4	-0.3	170.4	-114.7	156.4	0	0	0	112.4
995	E	33.6	Very low	29.6	Very low	120 Å²	120	142.9 Å²	142.9	56%	0.561	71%	0.713	S	S	*	*			trans	-110.7	14.6	177.6	-66.1	177.7	-179.9	0	0	112	R991 L997	R991-E995 IonicContact NH1-OE1 2.89Å; R991-E995 PolarHBondContact NH1-OE1 2.8Å; R991-E995 VanDerWaalsContact NH1-OE1 3.11Å; R991-E995 IonicContact NH1-OE2 2.78Å; R991-E995 PolarHBondContact NH1-OE2 3.3Å; E995-L997 PolarHBondContact O-N 2.65Å
996	A	31.8	Very low	29.6	Very low	98 Å²	98	138.7 Å²	138.7	81%	0.81	70%	0.702	S	S	*	*			trans	-81.5	64.3	166.4	0	0	0	0	0	109.7
997	L	27.3	Very low	29.6	Very low	126 Å²	126	131.2 Å²	131.2	66%	0.66	69%	0.688	S	S	*	*			trans	-99.7	151.2	-172.3	-85.7	162	0	0	0	112.8	E995	E995-L997 PolarHBondContact O-N 2.65Å
998	N	28.9	Very low	29.6	Very low	142 Å²	142	130.4 Å²	130.4	76%	0.759	69%	0.687	S	S	*	*			trans	70	138.2	161.6	-61	-14	0	0	0	119.1
999	D	30.9	Very low	29.5	Very low	127 Å²	127	129.7 Å²	129.7	68%	0.679	70%	0.7	S	S	*	*			trans	87.6	132.6	171.3	-74.3	14.1	0	0	0	117.6
1000	K	29.2	Very low	29.3	Very low	142 Å²	142	130.9 Å²	130.9	62%	0.617	70%	0.698	S	S	*	*			cis	-176.1	144.7	-15.9	-123.5	-176.9	-161.2	89.4	0	107
1001	Q	27.5	Very low	29.1	Very low	170 Å²	170	129.7 Å²	129.7	79%	0.794	69%	0.692	S	S	*	*			trans	60.5	172.6	156.4	-64	-179.1	-87.8	0	0	114.7
1002	V	27.8	Very low	28.9	Very low	98 Å²	98	130.1 Å²	130.1	59%	0.594	71%	0.71	S	S	*	*			cis	-143.2	125.6	-24.8	113.7	0	0	0	0	103
1003	E	25.5	Very low	28.6	Very low	164 Å²	164	126 Å²	126	77%	0.766	71%	0.714	S	S	*	*				67.4	154.2	97.8	-137.2	169.7	-167.3	0	0	113.6
1004	D	28.5	Very low	28.7	Very low	125 Å²	125	125.9 Å²	125.9	67%	0.668	71%	0.711	S	S	*	*			trans	67	150.7	175.1	-70.1	-1.8	0	0	0	120.3
1005	Q	28	Very low	28.3	Very low	152 Å²	152	123.6 Å²	123.6	71%	0.71	71%	0.707	S	S	*	*			cis	-175	134.9	-39	-119.5	-175.3	82.4	0	0	107.8
1006	C	26.8	Very low	28.1	Very low	113 Å²	113	124 Å²	124	76%	0.764	72%	0.717	S	S	*	*			trans	160.6	123.4	138.1	-88.1	0	0	0	0	110.5
1007	S	26.4	Very low	27.8	Very low	88 Å²	88	124.4 Å²	124.4	62%	0.615	71%	0.71	S	S	*	*				74.8	122.7	55.5	-61.1	0	0	0	0	110.7
1008	I	27.5	Very low	27.8	Very low	153 Å²	153	129 Å²	129	79%	0.785	72%	0.72	S	S	*	*			cis	-155	161.3	19.9	-80.4	123.1	0	0	0	107.6	Y1010	I1008-Y1010 HydrophobicContact CG2-CD2 3.9Å; I1008-Y1010 HydrophobicContact CG2-CE2 3.97Å
1009	G	27.6	Very low	27.7	Very low	62 Å²	62	126.2 Å²	126.2	64%	0.639	71%	0.712	S	S	*	*			cis	148.8	175.3	-2.6	0	0	0	0	0	112.3
1010	Y	27.7	Very low	27.4	Very low	211 Å²	211	127.3 Å²	127.3	83%	0.827	72%	0.723	S	S	*	*			trans	68.1	121.8	173.1	-58.2	-81.7	0	0	0	116.7	I1008	I1008-Y1010 HydrophobicContact CG2-CD2 3.9Å; I1008-Y1010 HydrophobicContact CG2-CE2 3.97Å
1011	S	25.8	Very low	27.4	Very low	98 Å²	98	123.8 Å²	123.8	69%	0.685	73%	0.727	S	S	*	*				79.6	150.9	60.4	92.5	0	0	0	0	113.6
1012	S	27.7	Very low	27.3	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	72%	0.723	S	S	*	*			cis	-154.7	177.1	14.2	-19.4	0	0	0	0	112.2
1013	A	28.2	Very low	27.2	Very low	92 Å²	92	122.6 Å²	122.6	76%	0.76	73%	0.726	S	S	*	*			trans	-77.6	-165.6	172.9	0	0	0	0	0	112.2
1014	P	33.1	Very low	27.2	Very low	108 Å²	108	124.1 Å²	124.1	70%	0.701	73%	0.725	S	S	*	*			cis	-147.8	177.7	7.3	42.4	-20.4	0	0	0	119.7
1015	S	25.2	Very low	27	Very low	95 Å²	95	123.5 Å²	123.5	66%	0.664	73%	0.726	S	S	*	*			trans	47.7	126.6	141	65.6	0	0	0	0	124.1
1016	T	28.8	Very low	26.9	Very low	128 Å²	128	124.2 Å²	124.2	79%	0.785	73%	0.729	S	S	*	*				-176.7	109.1	120.5	19.6	0	0	0	0	108.2
1017	T	25.4	Very low	26.8	Very low	107 Å²	107	125.1 Å²	125.1	66%	0.656	73%	0.726	S	S	*	*				41	112.8	85.8	62	0	0	0	0	115.7
1018	Y	27.2	Very low	27	Very low	223 Å²	223	129.3 Å²	129.3	88%	0.875	74%	0.736	S	S	*	*				-178.6	168.6	111.5	-105.9	-83.5	0	0	0	110.1
1019	S	26.6	Very low	26.8	Very low	83 Å²	83	126.2 Å²	126.2	58%	0.58	73%	0.727	S	S	*	*				-157	166.4	-81.4	-70.5	0	0	0	0	109.8
1020	V	26.2	Very low	26.7	Very low	150 Å²	150	130.3 Å²	130.3	91%	0.909	73%	0.733	S	S	*	*			trans	69.8	141.4	167.6	-166.3	0	0	0	0	114.5
1021	G	27.8	Very low	26.7	Very low	69 Å²	69	125 Å²	125	71%	0.711	73%	0.727	S	S	*	*			cis	-176.2	-172.1	-2.7	0	0	0	0	0	108.5
1022	S	25.5	Very low	26.7	Very low	101 Å²	101	127.4 Å²	127.4	71%	0.706	73%	0.732	S	S	*	*			cis	-166.2	163.7	-1.3	51.5	0	0	0	0	110.1
1023	E	25.5	Very low	26.6	Very low	141 Å²	141	126.4 Å²	126.4	66%	0.659	73%	0.73	S	S	*	*			trans	16.6	136.6	141	-55.2	169.3	-148.2	0	0	119.3
1024	R	25.5	Very low	26.7	Very low	197 Å²	197	130.2 Å²	130.2	74%	0.743	73%	0.733	S	S	*	*			cis	-152.7	157.4	39.7	-94.7	106.7	-162.4	-100.5	3.3	109.9
1025	T	24.2	Very low	26.3	Very low	112 Å²	112	134 Å²	134	69%	0.687	74%	0.739	S	S	*	*				43.9	141.8	79.6	77.2	0	0	0	0	113.5
1026	E	27.1	Very low	26.4	Very low	166 Å²	166	138.5 Å²	138.5	78%	0.776	74%	0.742	S	S	*	*			cis	-146.1	129.5	32.8	-73.1	166.5	-174.9	0	0	108.1
1027	D	24.2	Very low	26.4	Very low	132 Å²	132	138 Å²	138	71%	0.706	73%	0.734	S	S	*	*				83.6	158.1	90.2	-75.2	-67.8	0	0	0	116.3
1028	H	30.1	Very low	26.3	Very low	177 Å²	177	140.3 Å²	140.3	82%	0.819	74%	0.742	S	S	*	*			trans	76.3	138.6	175	-52.9	-62.3	0	0	0	119.3
1029	S	24.5	Very low	26.3	Very low	87 Å²	87	136.8 Å²	136.8	61%	0.608	74%	0.739	S	S	*	*				171.9	141.8	-54.6	51.8	0	0	0	0	110.6
1030	I	25.2	Very low	26.3	Very low	149 Å²	149	137.7 Å²	137.7	76%	0.764	75%	0.745	S	S	*	*			trans	76.3	145.3	146.7	-73	161.5	0	0	0	119.5
1031	S	26.2	Very low	26.2	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	74%	0.736	S	S	*	*			trans	81.9	137.2	160.7	68.7	0	0	0	0	121.1
1032	D	26.3	Very low	26.3	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	74%	0.742	S	S	*	*			cis	-167.3	149.6	-25.9	-105.2	-40.3	0	0	0	111.2
1033	A	27.1	Very low	26.1	Very low	90 Å²	90	141.9 Å²	141.9	74%	0.744	74%	0.743	S	S	*	*			trans	50	168.5	151.4	0	0	0	0	0	120.1
1034	E	29.2	Very low	26	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.804	75%	0.752	S	S	*	*			cis	-131.5	145.6	-5.3	-61.1	170.1	135.9	0	0	106.2
1035	F	24	Very low	25.9	Very low	189 Å²	189	142.6 Å²	142.6	83%	0.829	76%	0.756	S	S	*	*			cis	84.9	155.6	42.6	-107.7	-83.2	0	0	0	117.4
1036	Y	28.1	Very low	25.8	Very low	189 Å²	189	142.7 Å²	142.7	74%	0.741	76%	0.756	S	S	*	*			trans	88.4	100	-171	-60	-70.2	0	0	0	115.7
1037	D	27.8	Very low	25.9	Very low	116 Å²	116	141.3 Å²	141.3	62%	0.62	76%	0.759	S	S	*	*				86.7	120.6	77.8	-80.1	-17.9	0	0	0	112.4
1038	L	24.4	Very low	25.9	Very low	157 Å²	157	141.4 Å²	141.4	82%	0.822	76%	0.759	S	S	*	*				69.5	116.8	57.2	-67.7	174.3	0	0	0	113.8
1039	D	26.2	Very low	25.9	Very low	149 Å²	149	141 Å²	141	80%	0.797	76%	0.763	S	S	*	*				177.7	168	99.8	-142.8	-17.5	0	0	0	114.2
1040	S	28.3	Very low	25.9	Very low	101 Å²	101	146.2 Å²	146.2	71%	0.706	78%	0.778	S	S	*	*			trans	62.7	126.8	166.5	69.2	0	0	0	0	118.6
1041	V	24.2	Very low	26.1	Very low	120 Å²	120	142.6 Å²	142.6	73%	0.727	78%	0.777	S	S	*	*			cis	80.4	108.8	28	-173.7	0	0	0	0	115.3
1042	H	29.1	Very low	26.1	Very low	182 Å²	182	147.5 Å²	147.5	84%	0.843	79%	0.786	S	S	*	*				-169.2	145	128.3	-114.5	-76.6	0	0	0	113.9
1043	C	21.4	Very low	26	Very low	107 Å²	107	150.3 Å²	150.3	72%	0.723	79%	0.792	S	S	*	*			trans	-106.5	154.3	171.4	-55.6	0	0	0	0	110.7
1044	L	22.6	Very low	26	Very low	161 Å²	161	149.1 Å²	149.1	84%	0.843	79%	0.789	S	S	*	*				165.4	156.8	119.4	-91.7	163.8	0	0	0	116.8
1045	K	24.5	Very low	25.8	Very low	191 Å²	191	150 Å²	150	83%	0.83	79%	0.793	S	S	*	*			trans	87.3	121.5	147.9	-89.2	179.6	175.7	-177.3	0	122.4
1046	V	22	Very low	26	Very low	114 Å²	114	148.8 Å²	148.8	69%	0.691	80%	0.795	S	S	*	*			trans	-85.3	149.7	159	174.8	0	0	0	0	109.6
1047	V	28	Very low	26	Very low	138 Å²	138	148.4 Å²	148.4	84%	0.836	81%	0.806	S	S	*	*			trans	-142.9	138.6	146	-171.3	0	0	0	0	107.6
1048	D	24.4	Very low	26.1	Very low	133 Å²	133	150.6 Å²	150.6	71%	0.711	82%	0.817	S	S	*	*			trans	-92.5	167.4	177.1	-49.4	-89.1	0	0	0	111.9
1049	D	30	Very low	26.1	Very low	169 Å²	169	148.3 Å²	148.3	90%	0.904	81%	0.806	S	S	*	*			trans	-167.7	158.4	139.7	-107.4	-30.2	0	0	0	112.4
1050	E	25.4	Very low	26.1	Very low	197 Å²	197	146.3 Å²	146.3	92%	0.921	80%	0.799	S	S	*	*			trans	-102.2	162	-171.3	-57.7	-167.8	147.9	0	0	114.5
1051	G	28.3	Very low	26	Very low	72 Å²	72	150 Å²	150	74%	0.742	80%	0.803	S	S	*	*			trans	-174.4	81.6	177.8	0	0	0	0	0	118.8
1052	F	26.7	Very low	26.1	Very low	202 Å²	202	151.3 Å²	151.3	89%	0.886	81%	0.805	S	S	*	*			trans	41	119.2	146.1	-87.1	-97.7	0	0	0	124.6
1053	F	25.1	Very low	25.8	Very low	207 Å²	207	147.9 Å²	147.9	91%	0.908	80%	0.802	S	S	*	*			trans	0.1	144.1	142.2	-71.6	-92.4	0	0	0	123.5
1054	G	26.8	Very low	26.1	Very low	66 Å²	66	147.4 Å²	147.4	68%	0.68	81%	0.805	S	S	*	*			trans	145.8	95.5	165.2	0	0	0	0	0	107.9
1055	E	24.9	Very low	26.2	Very low	190 Å²	190	148.5 Å²	148.5	89%	0.888	80%	0.803	S	S	*	*				60.7	126.4	78	-67.8	-165.9	146.9	0	0	113.9
1056	D	27.4	Very low	26.3	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	80%	0.796	S	S	*	*			trans	63.8	89.3	179.3	-58.5	-22.5	0	0	0	118.5
1057	D	28	Very low	26.4	Very low	181 Å²	181	142.6 Å²	142.6	97%	0.968	78%	0.783	S	S	*	*			trans	-80.8	118.5	166.9	-84.6	-47.3	0	0	0	111.5
1058	D	29.5	Very low	26.2	Very low	162 Å²	162	140 Å²	140	87%	0.866	76%	0.764	S	S	*	*			trans	-121.3	177.7	176.8	-144.8	-17.4	0	0	0	112
1059	D	25.2	Very low	26.2	Very low	110 Å²	110	142.5 Å²	142.5	59%	0.588	76%	0.763	S	S	*	*			trans	-61.6	150.3	-160.6	-125.9	-27.9	0	0	0	118.4	K53	K53-D1059 IonicContact NZ-OD2 3.58Å
1060	T	26.1	Very low	26	Very low	106 Å²	106	140.7 Å²	140.7	65%	0.65	75%	0.754	S	S	*	*			trans	73.1	143.3	156.6	65.7	0	0	0	0	123.6
1061	F	26.3	Very low	26	Very low	180 Å²	180	136.4 Å²	136.4	79%	0.789	75%	0.746	S	S	*	*				176.1	112.6	117.2	-107.2	-102.4	0	0	0	108.2
1062	L	25.8	Very low	25.9	Very low	147 Å²	147	140.3 Å²	140.3	77%	0.77	75%	0.749	S	S	*	*				58.4	132.8	98.1	-74.6	162.4	0	0	0	114.8
1063	S	23.6	Very low	25.9	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	75%	0.749	S	S	*	*			cis	-156.5	178.9	20.2	68.9	0	0	0	0	110.4
1064	A	28.2	Very low	26	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	74%	0.736	S	S	*	*			cis	-155.4	168.7	43	0	0	0	0	0	115.2
1065	K	24.7	Very low	26.1	Very low	184 Å²	184	137.7 Å²	137.7	80%	0.8	74%	0.737	S	S	*	*			trans	-90.9	150.3	-165.5	-57.3	168.4	178.4	172.7	0	115.1	V1067	K1065-V1067 HydrophobicContact CB-CG2 4.04Å; K1065-V1067 HydrophobicContact CD-CG2 4.37Å
1066	V	25	Very low	26.2	Very low	111 Å²	111	136.7 Å²	136.7	67%	0.673	74%	0.737	S	S	*	*				-136	150	129.7	-177.1	0	0	0	0	107.3
1067	V	24.4	Very low	26.2	Very low	71 Å²	71	133.8 Å²	133.8	43%	0.43	73%	0.725	S	S	.	*			trans	-139.2	140.6	-161.4	-169.5	0	0	0	0	111	K1065 Q1419	K1065-V1067 HydrophobicContact CB-CG2 4.04Å; K1065-V1067 HydrophobicContact CD-CG2 4.37Å; V1067-Q1419 WeakPolarHBondContact O-CG 3.22Å; V1067-Q1419 PolarHBondContact O-NE2 3.04Å
1068	L	23.7	Very low	26	Very low	83 Å²	83	134.6 Å²	134.6	44%	0.435	72%	0.72	S	S	.	*				164	116.8	125.6	-86.9	-177.6	0	0	0	114	Q1419	L1068-Q1419 HydrophobicContact CB-CG 4.37Å; L1068-Q1419 HydrophobicContact CD1-CB 3.86Å; L1068-Q1419 HydrophobicContact CD1-CG 3.72Å; L1068-Q1419 HydrophobicContact CG-CG 4.1Å
1069	W	24.2	Very low	25.8	Very low	185 Å²	185	132.7 Å²	132.7	70%	0.701	72%	0.717	S	S	*	*			trans	65.6	147.1	142	-67.3	22	0	0	0	119
1070	D	27.4	Very low	25.7	Very low	131 Å²	131	132.7 Å²	132.7	70%	0.701	73%	0.725	S	S	*	*			cis	-122.8	155	6.4	-100.7	-45.1	0	0	0	113.4
1071	S	25.6	Very low	25.7	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	72%	0.724	S	S	*	*			trans	-140.6	138.8	170.4	-52.5	0	0	0	0	109.2
1072	L	26.3	Very low	25.7	Very low	155 Å²	155	130.6 Å²	130.6	81%	0.812	72%	0.724	S	S	*	*			trans	-149	93.2	169.3	-101.1	178.6	0	0	0	111	I1074	L1072-I1074 HydrophobicContact CD2-CD1 4.18Å; L1072-I1074 HydrophobicContact CD2-CG1 4.4Å
1073	D	26.1	Very low	25.6	Very low	166 Å²	166	132.4 Å²	132.4	89%	0.888	73%	0.726	S	S	*	*			trans	-78.3	118.6	165.5	-79.7	-60.8	0	0	0	110.7
1074	I	27	Very low	25.7	Very low	125 Å²	125	139.2 Å²	139.2	64%	0.641	73%	0.734	S	S	*	*			trans	-151.1	125.6	173.2	-60.7	-175.8	0	0	0	105.4	L1072	L1072-I1074 HydrophobicContact CD2-CD1 4.18Å; L1072-I1074 HydrophobicContact CD2-CG1 4.4Å
1075	D	28.5	Very low	25.6	Very low	129 Å²	129	139 Å²	139	69%	0.69	73%	0.733	S	S	*	*			cis	-125.3	136.6	8.5	-72.3	-74.7	0	0	0	112.1	V1077	D1075-V1077 HydrophobicContact CB-CB 4.4Å; D1075-V1077 HydrophobicContact CB-CG2 4.3Å
1076	D	26.9	Very low	25.5	Very low	169 Å²	169	135.9 Å²	135.9	90%	0.904	73%	0.733	S	S	*	*			trans	-118.9	66.2	146.3	-165.7	5.6	0	0	0	109
1077	V	27.6	Very low	25.5	Very low	101 Å²	101	141.6 Å²	141.6	61%	0.612	74%	0.742	S	S	*	*			trans	-118.6	114.7	-172	-179	0	0	0	0	110.4	D1075 P1079	D1075-V1077 HydrophobicContact CB-CB 4.4Å; D1075-V1077 HydrophobicContact CB-CG2 4.3Å; V1077-P1079 VanDerWaalsContact O-CD 3.28Å; V1077-P1079 WeakPolarHBondContact O-CD 3.48Å
1078	K	22.9	Very low	25.8	Very low	199 Å²	199	145.8 Å²	145.8	87%	0.865	76%	0.763	S	S	*	*			trans	-75.1	131.8	164.8	-66.9	169.4	-178.2	164.4	0	110
1079	P	26.7	Very low	25.9	Very low	122 Å²	122	144.8 Å²	144.8	79%	0.792	77%	0.772	S	S	*	*			trans	-119.3	104.3	143.7	34	-27.3	0	0	0	111.4	V1077	V1077-P1079 VanDerWaalsContact O-CD 3.28Å; V1077-P1079 WeakPolarHBondContact O-CD 3.48Å
1080	S	21.8	Very low	26.2	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	78%	0.779	S	S	*	*			trans	-91.5	152.7	142.3	-179.1	0	0	0	0	106.5
1081	P	27.3	Very low	26.1	Very low	98 Å²	98	141.1 Å²	141.1	64%	0.636	78%	0.78	S	S	*	*			cis	-129.7	175	8.2	42.5	-28	0	0	0	115.5
1082	D	25.7	Very low	26.3	Very low	145 Å²	145	143.8 Å²	143.8	78%	0.775	78%	0.78	S	S	*	*			trans	57.2	-176.3	147.5	-65.2	-32.5	0	0	0	120.9
1083	F	24.5	Very low	26.2	Very low	185 Å²	185	143.6 Å²	143.6	81%	0.811	78%	0.775	S	S	*	*			trans	57.5	78.8	177.3	-72.5	-89.1	0	0	0	118
1084	W	24.4	Very low	26.4	Very low	252 Å²	252	141.7 Å²	141.7	96%	0.955	77%	0.769	S	S	*	*				-141.8	60.8	117.2	-109.8	88.6	0	0	0	110.2
1085	A	26.7	Very low	26.5	Very low	91 Å²	91	141.8 Å²	141.8	75%	0.752	77%	0.771	S	S	*	*			trans	-76.8	119.5	172	0	0	0	0	0	110	R1087	A1085-R1087 PolarHBondContact O-N 2.87Å
1086	C	23.5	Very low	26.6	Very low	120 Å²	120	142.4 Å²	142.4	81%	0.811	77%	0.77	S	S	*	*			trans	-63.9	119.8	175.7	-64.1	0	0	0	0	111.5
1087	R	24.9	Very low	26.8	Very low	230 Å²	230	141.6 Å²	141.6	87%	0.868	76%	0.761	S	S	*	*			trans	-155.2	148.4	152.2	-120.3	177	-172.1	-163.4	0.4	112.1	A1085	A1085-R1087 PolarHBondContact O-N 2.87Å
1088	N	29.7	Very low	27	Very low	160 Å²	160	142.8 Å²	142.8	86%	0.856	77%	0.768	S	S	*	*			trans	67.1	132.1	-177.9	-45.8	-14.9	0	0	0	112.8
1089	G	27.3	Very low	27.2	Very low	62 Å²	62	140 Å²	140	64%	0.639	76%	0.763	S	S	*	*			cis	154.2	147	-2.1	0	0	0	0	0	109.8
1090	S	30.4	Very low	27.5	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	76%	0.764	S	S	*	*			trans	63.1	129.3	-169.6	9.8	0	0	0	0	113.5
1091	V	25.3	Very low	27.8	Very low	120 Å²	120	149 Å²	149	73%	0.727	77%	0.769	S	S	*	*			cis	79	119.2	39.1	-179.8	0	0	0	0	112.2
1092	Q	27.9	Very low	27.9	Very low	163 Å²	163	149 Å²	149	76%	0.762	77%	0.772	S	S	*	*			trans	66	156.8	167	-73.5	-179.2	-73.6	0	0	116.9
1093	E	25.6	Very low	28	Very low	151 Å²	151	149.1 Å²	149.1	71%	0.706	78%	0.778	S	S	*	*			cis	-168.3	-171.5	-32.5	-119.9	178.8	143.4	0	0	106.1
1094	V	29.6	Very low	28.3	Very low	125 Å²	125	144.2 Å²	144.2	76%	0.758	78%	0.78	S	S	*	*			trans	67.2	102.6	169.6	-162.6	0	0	0	0	114.3
1095	N	28.9	Very low	28.5	Very low	127 Å²	127	142.4 Å²	142.4	68%	0.679	78%	0.779	S	S	*	*			cis	81.2	153.7	49.3	-160.6	35	0	0	0	114.2
1096	E	31.5	Very low	28.6	Very low	142 Å²	142	142.3 Å²	142.3	66%	0.664	78%	0.778	S	S	*	*			trans	70.6	152.5	167.8	-77.9	157.8	-129.3	0	0	119.5
1097	Q	30.4	Very low	28.6	Very low	152 Å²	152	145.2 Å²	145.2	71%	0.71	78%	0.777	S	S	*	*			cis	-167.7	168	-36.5	-123.6	-175	61.4	0	0	111.4
1098	T	31.7	Very low	28.8	Very low	126 Å²	126	143.2 Å²	143.2	77%	0.773	78%	0.775	S	S	*	*			trans	67.8	142.6	170.6	68.2	0	0	0	0	118.4
1099	N	28.6	Very low	28.7	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	77%	0.766	S	S	*	*			cis	112.6	143.2	3.6	-167.6	12.6	0	0	0	114.8
1100	K	32.5	Very low	28.6	Very low	187 Å²	187	145.6 Å²	145.6	81%	0.813	78%	0.78	S	S	*	*			trans	82.8	151	-176.2	-54.6	166.6	-173.9	171.3	0	115.4
1101	R	27	Very low	28.7	Very low	231 Å²	231	143.7 Å²	143.7	87%	0.872	78%	0.779	S	S	*	*			cis	-168.6	174.1	-36.4	-130.2	-179.6	-172.9	-175.1	2.2	109.7
1102	S	30	Very low	28.9	Very low	99 Å²	99	148.5 Å²	148.5	69%	0.692	78%	0.784	S	S	*	*			trans	62.4	105	153.7	49.6	0	0	0	0	122.5
1103	T	28.4	Very low	29	Very low	147 Å²	147	147.6 Å²	147.6	90%	0.902	78%	0.78	S	S	*	*				46.5	124.4	125.8	59	0	0	0	0	122.6
1104	G	30.1	Very low	29	Very low	83 Å²	83	146.7 Å²	146.7	86%	0.856	78%	0.779	S	S	*	*			trans	178.9	131.9	158.6	0	0	0	0	0	114.2
1105	K	27.8	Very low	28.9	Very low	214 Å²	214	151 Å²	151	93%	0.93	78%	0.782	S	S	*	*			trans	-72	162.9	-175.2	-64.7	172.8	174.2	177.6	0	114.7
1106	A	29.2	Very low	28.7	Very low	89 Å²	89	150.6 Å²	150.6	74%	0.736	78%	0.784	S	S	*	*			trans	96.8	111.2	144.6	0	0	0	0	0	121.5
1107	F	24.8	Very low	28.6	Very low	181 Å²	181	149.8 Å²	149.8	79%	0.794	79%	0.791	S	S	*	*			trans	50.8	131.3	133	-82.2	-73.6	0	0	0	124.6
1108	F	27.1	Very low	28.5	Very low	188 Å²	188	147.2 Å²	147.2	83%	0.825	79%	0.785	S	S	*	*			trans	61.6	146.7	155.6	-68.2	-59.2	0	0	0	118.4
1109	S	27.8	Very low	28.2	Very low	95 Å²	95	151.5 Å²	151.5	66%	0.664	79%	0.787	S	S	*	*			cis	-156	155.1	-12.2	53.8	0	0	0	0	112.5
1110	L	26.7	Very low	28	Very low	176 Å²	176	149.7 Å²	149.7	92%	0.921	79%	0.786	S	S	*	*			trans	37.9	111.6	150.6	-80.2	148.7	0	0	0	121.1
1111	G	31.2	Very low	27.6	Very low	79 Å²	79	149.6 Å²	149.6	81%	0.814	79%	0.786	S	S	*	*			trans	-147.9	111.8	164.6	0	0	0	0	0	112.8
1112	R	29.8	Very low	27.6	Very low	222 Å²	222	146.3 Å²	146.3	84%	0.838	78%	0.78	S	S	*	*			trans	-48.7	156.4	177.1	-72.7	179.5	-176.3	-170	0.7	114.1
1113	Q	30	Very low	27.5	Very low	143 Å²	143	147.4 Å²	147.4	67%	0.668	78%	0.782	S	S	*	*			cis	-170.1	150	12.5	-122	167	-23.7	0	0	112
1114	L	26.9	Very low	27.3	Very low	132 Å²	132	147.3 Å²	147.3	69%	0.691	78%	0.775	S	S	*	*			trans	60.5	145.4	151.7	-49.6	173.5	0	0	0	119.7
1115	R	26.5	Very low	27.1	Very low	217 Å²	217	147 Å²	147	82%	0.819	76%	0.764	S	S	*	*			cis	-157.6	124.4	-6	-118.6	170.3	-169.6	-179.9	5	109.6
1116	T	24.3	Very low	27.2	Very low	118 Å²	118	148 Å²	148	72%	0.724	76%	0.763	S	S	*	*			trans	-160.1	144.7	169.6	53.7	0	0	0	0	112.7
1117	P	29.8	Very low	27.1	Very low	125 Å²	125	151 Å²	151	81%	0.812	77%	0.771	S	S	*	*			trans	-130.1	123	144.6	33.1	-19.5	0	0	0	111
1118	V	27.6	Very low	27.3	Very low	97 Å²	97	146 Å²	146	59%	0.588	77%	0.77	S	S	*	*			cis	63.3	94.5	13	-174	0	0	0	0	111.1
1119	R	26.1	Very low	27.4	Very low	217 Å²	217	147 Å²	147	82%	0.819	78%	0.775	S	S	*	*				88.5	125.9	65.2	-83	-178.9	174.3	179	-0.6	113.8
1120	S	24.3	Very low	27.5	Very low	103 Å²	103	147.9 Å²	147.9	72%	0.72	78%	0.778	S	S	*	*				31.2	113.3	129.1	-41.8	0	0	0	0	121.1
1121	F	25.2	Very low	27.7	Very low	186 Å²	186	148.6 Å²	148.6	82%	0.816	78%	0.776	S	S	*	*			trans	-144.4	134.7	150	-75.8	-81.6	0	0	0	108.5
1122	H	25.5	Very low	27.5	Very low	162 Å²	162	153.6 Å²	153.6	75%	0.75	78%	0.778	S	S	*	*			cis	80.7	71.8	2.3	-119.8	-48.7	0	0	0	117.9
1123	V	27.7	Very low	27.5	Very low	121 Å²	121	152.2 Å²	152.2	73%	0.733	78%	0.781	S	S	*	*			trans	-140.2	118.1	160.3	-149.7	0	0	0	0	104.4
1124	L	26.1	Very low	27.4	Very low	145 Å²	145	153.8 Å²	153.8	76%	0.759	79%	0.788	S	S	*	*				63.9	138.9	56.5	-58.7	172	0	0	0	112.5
1125	A	25.7	Very low	27.5	Very low	76 Å²	76	155 Å²	155	63%	0.628	79%	0.794	S	S	*	*			cis	-167.2	170	-21.2	0	0	0	0	0	109
1126	R	28.4	Very low	27.4	Very low	237 Å²	237	155 Å²	155	89%	0.894	80%	0.796	S	S	*	*			trans	75.6	126.1	173.9	-53.3	172.4	-178.2	173.1	-0.1	113.5
1127	V	27.3	Very low	27.7	Very low	152 Å²	152	157.9 Å²	157.9	92%	0.921	80%	0.801	S	S	*	*			cis	81.2	100.2	47.7	178.6	0	0	0	0	112.2
1128	G	30.2	Very low	27.8	Very low	75 Å²	75	160.8 Å²	160.8	77%	0.773	80%	0.804	S	S	*	*			trans	-167	152	170.4	0	0	0	0	0	108
1129	K	27.7	Very low	27.8	Very low	210 Å²	210	161.9 Å²	161.9	91%	0.913	81%	0.805	S	S	*	*			trans	-103.4	159.4	178.3	-94.5	-172.2	171.1	-169.3	0	110.9
1130	P	30.2	Very low	28.1	Very low	112 Å²	112	157.5 Å²	157.5	73%	0.727	80%	0.804	S	S	*	*			trans	-85.3	156.4	178.1	36.2	-35.4	0	0	0	112.5
1131	E	31.4	Very low	28.4	Very low	192 Å²	192	159 Å²	159	90%	0.897	81%	0.805	S	S	*	*			trans	-154.7	178.7	155.6	-110.8	150.2	-137.8	0	0	107.7
1132	E	26.7	Very low	28.8	Very low	183 Å²	183	158.1 Å²	158.1	86%	0.855	81%	0.808	S	S	*	*			trans	-108.8	-168.5	-141.3	-58.5	-179.7	114.6	0	0	116.7
1133	E	30.5	Very low	29	Very low	193 Å²	193	157.4 Å²	157.4	90%	0.902	81%	0.809	S	S	*	*			trans	93.4	158	160.5	-53.3	-156.1	124.1	0	0	120.5
1134	H	26.8	Very low	29.3	Very low	176 Å²	176	157.3 Å²	157.3	82%	0.815	81%	0.811	S	S	*	*			trans	-108.6	166.2	-165.4	-70.3	-103.7	0	0	0	112.1
1135	I	28.9	Very low	29.3	Very low	159 Å²	159	155.8 Å²	155.8	82%	0.815	81%	0.812	S	S	*	*				-175.9	156.7	127.2	-93.5	151.7	0	0	0	109.5
1136	Y	25.1	Very low	29.5	Very low	217 Å²	217	158.1 Å²	158.1	85%	0.851	82%	0.822	S	S	*	*			trans	-122	140.7	174.5	-91.6	-95.8	0	0	0	109.4
1137	E	30.6	Very low	29.8	Very low	177 Å²	177	152.7 Å²	152.7	83%	0.827	82%	0.82	S	S	*	*			trans	172.6	156.1	163.6	-100.5	157.2	-145.2	0	0	107
1138	E	31	Very low	29.7	Very low	186 Å²	186	154.5 Å²	154.5	87%	0.869	82%	0.819	S	S	*	*			cis	-154	177.1	-41.7	-127.8	178.8	-162.8	0	0	108.2
1139	I	29.1	Very low	29.6	Very low	120 Å²	120	155 Å²	155	62%	0.615	82%	0.815	S	S	*	*			trans	-109.8	159.3	-173.8	-21.9	178.5	0	0	0	111.6
1140	P	32.5	Very low	29.8	Very low	125 Å²	125	150 Å²	150	81%	0.812	81%	0.813	S	S	*	*				-149.4	171.5	98.9	37.8	-19.8	0	0	0	116.7
1141	D	29	Very low	29.8	Very low	136 Å²	136	155.4 Å²	155.4	73%	0.727	82%	0.819	S	S	*	*			trans	-100	167.6	177	-63.1	-78.1	0	0	0	113.6
1142	D	34.4	Very low	29.6	Very low	166 Å²	166	155.8 Å²	155.8	89%	0.888	82%	0.818	S	S	*	*			trans	-151.2	159.5	162.2	-124.3	-35.4	0	0	0	113.8
1143	L	28.8	Very low	29.7	Very low	148 Å²	148	151.6 Å²	151.6	78%	0.775	81%	0.814	S	S	*	*			trans	-108.7	-164.6	-165.9	-116.3	76.7	0	0	0	113.1
1144	P	34.7	Very low	29.6	Very low	119 Å²	119	151.5 Å²	151.5	77%	0.773	81%	0.814	S	S	*	*			cis	-137.2	-168.9	7.2	41.4	-19.7	0	0	0	117.2
1145	C	26.3	Very low	29.7	Very low	113 Å²	113	150.7 Å²	150.7	76%	0.764	82%	0.815	S	S	*	*			trans	-91.5	172.4	-177	-46.5	0	0	0	0	115.5
1146	C	30.8	Very low	29.9	Very low	124 Å²	124	148.6 Å²	148.6	84%	0.838	81%	0.811	S	S	*	*			trans	-162.2	137.5	141.8	-110.8	0	0	0	0	118.5
1147	S	34.8	Very low	30.2	Very low	124 Å²	124	143.6 Å²	143.6	87%	0.867	81%	0.806	S	S	*	*			trans	76.9	157.6	148.6	75.5	0	0	0	0	121.8
1148	E	24.7	Very low	30.2	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	81%	0.805	S	S	*	*			trans	-159.9	173.6	-155	-171.8	176	177.9	0	0	110.1
1149	A	28	Very low	30.1	Very low	84 Å²	84	140.4 Å²	140.4	69%	0.694	81%	0.806	S	S	*	*			trans	83.8	87.6	166.3	0	0	0	0	0	119.3
1150	A	31.7	Very low	30.1	Very low	107 Å²	107	138.7 Å²	138.7	88%	0.884	80%	0.803	S	S	*	*			trans	-111.8	141.8	139.6	0	0	0	0	0	108.5
1151	R	30.1	Very low	29.9	Very low	224 Å²	224	137 Å²	137	85%	0.845	79%	0.792	S	S	*	*			trans	-117.8	132.4	-161.3	-77.3	-179.9	173.8	171.6	-0.8	115.2
1152	K	28.3	Very low	30	Very low	201 Å²	201	141.4 Å²	141.4	87%	0.874	80%	0.798	S	S	*	*			trans	69.7	149.8	143.4	-72	-173.6	172.2	-170.6	0	120.5
1153	A	27	Very low	29.9	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	78%	0.779	S	S	*	*			trans	83.2	75.1	152.8	0	0	0	0	0	118.9
1154	E	30.2	Very low	30.4	Very low	192 Å²	192	135.1 Å²	135.1	90%	0.897	76%	0.758	S	S	*	*			trans	-151.1	168.5	136.3	-115.3	161.8	-150.6	0	0	110
1155	L	28.9	Very low	30.7	Very low	158 Å²	158	132.5 Å²	132.5	83%	0.827	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-75	150.9	-157.9	-80	80.9	0	0	0	115
1156	P	32.1	Very low	31.7	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-73.3	136.2	175.8	30.6	-34.6	0	0	0	112.2
1157	P	31.9	Very low	32.5	Very low	113 Å²	113	127.3 Å²	127.3	73%	0.734	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-69.6	155.5	168.1	30.3	-34.4	0	0	0	111.4
1158	P	30.1	Very low	33.5	Very low	125 Å²	125	124.1 Å²	124.1	81%	0.812	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-66.3	145.3	-174.9	26.6	-34.9	0	0	0	113.2
1159	L	28.2	Very low	35	Very low	171 Å²	171	118.6 Å²	118.6	90%	0.895	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-67.6	129.7	-178.9	-71.6	165.4	0	0	0	112.1
1160	P	29.7	Very low	36.8	Very low	83 Å²	83	116.5 Å²	116.5	54%	0.539	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-72.1	146.1	171.2	29.8	-34	0	0	0	111.4	R1162	P1160-R1162 PolarHBondContact O-N 3.18Å
1161	P	29.3	Very low	38.5	Very low	90 Å²	90	113.2 Å²	113.2	58%	0.584	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-70.7	126.9	-176	28.4	-35	0	0	0	112.2	H1163	P1161-H1163 PolarHBondContact O-N 3.43Å; P1161-H1163 VanDerWaalsContact O-N 3.15Å
1162	R	30.3	Very low	40.3	Very low	229 Å²	229	107.3 Å²	107.3	86%	0.864	57%	0.569	S	S	*	*			trans	-81.3	87.8	177.5	-68.4	-172.3	179.6	-166	1.4	111.9	P1160	P1160-R1162 PolarHBondContact O-N 3.18Å
1163	H	33.3	Very low	42.1	Very low	102 Å²	102	101.8 Å²	101.8	47%	0.472	55%	0.545	S	S	.	.			trans	-80.3	138.2	167.5	-68.9	-105	0	0	0	110.8	P1161	P1161-H1163 PolarHBondContact O-N 3.43Å; P1161-H1163 VanDerWaalsContact O-N 3.15Å
1164	F	37.6	Very low	44	Very low	79 Å²	79	98.5 Å²	98.5	35%	0.346	52%	0.515	S	S	.	.			trans	-96.9	116.2	179.7	-88.1	-126.1	0	0	0	109.4	Q1177 K1198	F1164-Q1177 HydrophobicContact CE1-CB 4.09Å; F1164-Q1177 HydrophobicContact CE1-CG 4.29Å; F1164-K1198 VanDerWaalsContact CE1-NZ 3.34Å
1165	H	41.5	Very low	46.1	Very low	64 Å²	64	89.4 Å²	89.4	30%	0.296	47%	0.472	S	S	.	.			trans	-139.6	78.4	-178.4	-64.4	-51.4	0	0	0	111.2	F1202	H1165-F1202 AromaticContact CE1-CE2 3.99Å; H1165-F1202 AromaticContact CE1-CZ 3.75Å
1166	H	47.6	Very low	48.1	Very low	94 Å²	94	86.4 Å²	86.4	44%	0.435	46%	0.455	S	S	.	.			trans	-135.4	147.2	170.8	-59.2	-70.9	0	0	0	109.7	Q1177	H1166-Q1177 PolarHBondContact CD2-NE2 2.89Å; H1166-Q1177 PolarHBondContact CD2-OE1 2.95Å; H1166-Q1177 PolarHBondContact NE2-NE2 3.19Å; H1166-Q1177 VanDerWaalsContact NE2-NE2 3.13Å
1167	P	48.2	Very low	49.6	Very low	34 Å²	34	84 Å²	84	22%	0.221	43%	0.434	C	S	.	.			trans	-75.7	149	-178.7	32	-34.2	0	0	0	111	N1169 D1170 A1402	P1167-N1169 HydrophobicContact CB-CB 4.13Å; P1167-N1169 PolarHBondContact O-N 2.89Å; P1167-D1170 HydrophobicContact CG-CB 4.35Å; P1167-D1170 PolarHBondContact O-N 3.01Å; P1167-A1402 HydrophobicContact CB-CB 3.82Å; P1167-A1402 HydrophobicContact CG-CB 4.39Å
1168	I	54.4	Low	50.9	Low	57 Å²	57	79.5 Å²	79.5	29%	0.292	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.9	169.7	-163.2	167.2	0	0	0	112.2	D1170 V1350 F1400	I1168-D1170 PolarHBondContact O-N 2.81Å; I1168-V1350 HydrophobicContact CG1-CG2 4.17Å; I1168-V1350 HydrophobicContact CG2-CG2 4.45Å; I1168-F1400 HydrophobicContact CG2-CB 4.03Å
1169	N	56.9	Low	52.6	Low	75 Å²	75	77.3 Å²	77.3	40%	0.401	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	5.2	172.8	-58.9	-44	0	0	0	114.8	P1167 D1401	P1167-N1169 HydrophobicContact CB-CB 4.13Å; P1167-N1169 PolarHBondContact O-N 2.89Å; N1169-D1401 PolarHBondContact ND2-OD1 3.16Å
1170	D	66.2	Low	54.3	Low	40 Å²	40	71.3 Å²	71.3	21%	0.214	35%	0.35	C	S	.	.			trans	-125.6	75	174.6	-166.6	-39	0	0	0	109.6	P1167 I1168 E1172 K1173 V1174	P1167-D1170 HydrophobicContact CG-CB 4.35Å; P1167-D1170 PolarHBondContact O-N 3.01Å; I1168-D1170 PolarHBondContact O-N 2.81Å; D1170-E1172 PolarHBondContact O-N 2.85Å; D1170-E1172 VanDerWaalsContact O-N 3.14Å; D1170-K1173 HydrophobicContact CB-CB 4.28Å; D1170-K1173 PolarHBondContact O-N 2.72Å; D1170-K1173 VanDerWaalsContact O-N 3.15Å; D1170-K1173 WeakPolarHBondContact OD1-CB 3.4Å; D1170-K1173 WeakPolarHBondContact OD1-CG 3.47Å; D1170-K1173 PolarHBondContact OD1-N 3.42Å; D1170-K1173 IonicContact OD1-NZ 3.17Å; D1170-K1173 VanDerWaalsContact OD2-CD 3.31Å; D1170-K1173 WeakPolarHBondContact OD2-CD 3.33Å; D1170-K1173 WeakPolarHBondContact OD2-CE 3.5Å; D1170-K1173 IonicContact OD2-NZ 3.04Å; D1170-K1173 PolarHBondContact OD2-NZ 3.49Å; D1170-V1174 WeakPolarHBondContact O-CG2 3.39Å; D1170-V1174 PolarHBondContact O-N 2.93Å
1171	P	66.5	Low	56.2	Low	37 Å²	37	68.2 Å²	68.2	24%	0.24	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-27	-172.6	24	-34.4	0	0	0	112.3	C1175 L1346	P1171-C1175 VanDerWaalsContact O-CB 3.28Å; P1171-C1175 WeakPolarHBondContact O-CB 3.38Å; P1171-C1175 PolarHBondContact O-N 2.97Å; P1171-C1175 PolarHBondContact O-SG 2.92Å; P1171-L1346 HydrophobicContact CB-CB 3.76Å; P1171-L1346 HydrophobicContact CB-CD1 4.27Å
1172	E	68	Low	57.9	Low	101 Å²	101	65.6 Å²	65.6	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-69.1	-46.2	175.7	-176.3	160.3	-106.7	0	0	112.4	D1170 C1175 M1176 K1343	D1170-E1172 PolarHBondContact O-N 2.85Å; D1170-E1172 VanDerWaalsContact O-N 3.14Å; E1172-C1175 PolarHBondContact O-N 3.41Å; E1172-M1176 HydrophobicContact CG-CE 4.09Å; E1172-M1176 WeakPolarHBondContact O-CG 3.33Å; E1172-M1176 PolarHBondContact O-N 3.47Å; E1172-K1343 WeakPolarHBondContact OE1-CE 3.48Å; E1172-K1343 IonicContact OE1-NZ 3.81Å; E1172-K1343 PolarHBondContact OE1-NZ 3.2Å
1173	K	66.1	Low	59	Low	85 Å²	85	60.9 Å²	60.9	37%	0.37	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-40.1	172.4	-75.7	-177.6	-167.4	62.4	0	112.3	D1170 M1176 Q1177	D1170-K1173 HydrophobicContact CB-CB 4.28Å; D1170-K1173 PolarHBondContact O-N 2.72Å; D1170-K1173 VanDerWaalsContact O-N 3.15Å; D1170-K1173 WeakPolarHBondContact OD1-CB 3.4Å; D1170-K1173 WeakPolarHBondContact OD1-CG 3.47Å; D1170-K1173 PolarHBondContact OD1-N 3.42Å; D1170-K1173 IonicContact OD1-NZ 3.17Å; D1170-K1173 VanDerWaalsContact OD2-CD 3.31Å; D1170-K1173 WeakPolarHBondContact OD2-CD 3.33Å; D1170-K1173 WeakPolarHBondContact OD2-CE 3.5Å; D1170-K1173 IonicContact OD2-NZ 3.04Å; D1170-K1173 PolarHBondContact OD2-NZ 3.49Å; K1173-M1176 HydrophobicContact CG-CE 4.22Å; K1173-M1176 PolarHBondContact O-N 2.89Å; K1173-Q1177 WeakPolarHBondContact O-CB 3.38Å; K1173-Q1177 WeakPolarHBondContact O-CG 3.28Å; K1173-Q1177 PolarHBondContact O-N 2.8Å
1174	V	67.5	Low	60	Low	25 Å²	25	62.3 Å²	62.3	15%	0.152	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-53.7	175.8	178.1	0	0	0	0	109.6	D1170 M1176 Q1177 V1178 L1346	D1170-V1174 WeakPolarHBondContact O-CG2 3.39Å; D1170-V1174 PolarHBondContact O-N 2.93Å; V1174-M1176 VanDerWaalsContact C-N 3.28Å; V1174-M1176 PolarHBondContact O-N 3.18Å; V1174-Q1177 CarbonylContact O-C 3.49Å; V1174-Q1177 WeakPolarHBondContact O-CA 3.46Å; V1174-Q1177 PolarHBondContact O-N 3.41Å; V1174-V1178 HydrophobicContact CG1-CG2 4.2Å; V1174-V1178 WeakPolarHBondContact O-CG2 3.4Å; V1174-V1178 PolarHBondContact O-N 2.76Å; V1174-L1346 HydrophobicContact CB-CD1 3.77Å; V1174-L1346 HydrophobicContact CG1-CD1 3.46Å; V1174-L1346 VanDerWaalsContact CG1-CD1 3.46Å
1175	C	73.2	Confident	60.6	Low	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-31.5	-179.1	-65	0	0	0	0	114.1	P1171 E1172 H1179 F1180 C1181 C1342 K1343	P1171-C1175 VanDerWaalsContact O-CB 3.28Å; P1171-C1175 WeakPolarHBondContact O-CB 3.38Å; P1171-C1175 PolarHBondContact O-N 2.97Å; P1171-C1175 PolarHBondContact O-SG 2.92Å; E1172-C1175 PolarHBondContact O-N 3.41Å; C1175-H1179 PolarHBondContact O-N 3.16Å; C1175-F1180 HydrophobicContact CB-CB 4.32Å; C1175-F1180 PolarHBondContact O-N 3.42Å; C1175-C1181 HydrophobicContact CB-CB 4.25Å; C1175-C1181 VanDerWaalsContact CB-SG 3.52Å; C1175-C1181 PolarHBondContact O-N 2.93Å; C1175-C1342 WeakPolarHBondContact CA-SG 3.3Å; C1175-C1342 HydrophobicContact CB-CB 3.94Å; C1175-C1342 WeakPolarHBondContact CB-SG 3.28Å; C1175-C1342 WeakPolarHBondContact SG-CB 3.45Å; C1175-C1342 PolarHBondContact SG-O 3.4Å; C1175-C1342 CovalentContact SG-SG 2.03Å; C1175-C1342 PolarHBondContact SG-SG 3.49Å; C1175-K1343 PolarHBondContact SG-N 2.92Å; C1175-K1343 VanDerWaalsContact SG-N 3.39Å
1176	M	72	Confident	61	Low	95 Å²	95	61 Å²	61	47%	0.468	33%	0.329	S	S	.	.	H	α-helix	trans	-68.8	-39.6	169.3	-71.1	-173.2	-67.4	0	0	112.4	E1172 K1173 V1174 H1179 C1181	E1172-M1176 HydrophobicContact CG-CE 4.09Å; E1172-M1176 WeakPolarHBondContact O-CG 3.33Å; E1172-M1176 PolarHBondContact O-N 3.47Å; K1173-M1176 HydrophobicContact CG-CE 4.22Å; K1173-M1176 PolarHBondContact O-N 2.89Å; V1174-M1176 VanDerWaalsContact C-N 3.28Å; V1174-M1176 PolarHBondContact O-N 3.18Å; M1176-H1179 PolarHBondContact O-N 2.87Å; M1176-C1181 WeakPolarHBondContact CA-O 3.49Å; M1176-C1181 HydrophobicContact CG-CB 4.01Å; M1176-C1181 WeakPolarHBondContact CG-O 3.48Å
1177	Q	63	Low	61.3	Low	64 Å²	64	60 Å²	60	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-79.6	-21.2	-177.1	-75.7	-173.2	-3.4	0	0	115.1	F1164 H1166 K1173 V1174	F1164-Q1177 HydrophobicContact CE1-CB 4.09Å; F1164-Q1177 HydrophobicContact CE1-CG 4.29Å; H1166-Q1177 PolarHBondContact CD2-NE2 2.89Å; H1166-Q1177 PolarHBondContact CD2-OE1 2.95Å; H1166-Q1177 PolarHBondContact NE2-NE2 3.19Å; H1166-Q1177 VanDerWaalsContact NE2-NE2 3.13Å; K1173-Q1177 WeakPolarHBondContact O-CB 3.38Å; K1173-Q1177 WeakPolarHBondContact O-CG 3.28Å; K1173-Q1177 PolarHBondContact O-N 2.8Å; V1174-Q1177 CarbonylContact O-C 3.49Å; V1174-Q1177 WeakPolarHBondContact O-CA 3.46Å; V1174-Q1177 PolarHBondContact O-N 3.41Å
1178	V	58.7	Low	61.1	Low	19 Å²	19	63.2 Å²	63.2	12%	0.115	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	15.2	162.9	-79.8	0	0	0	0	113.2	V1174 F1180 R1191 F1195	V1174-V1178 HydrophobicContact CG1-CG2 4.2Å; V1174-V1178 WeakPolarHBondContact O-CG2 3.4Å; V1174-V1178 PolarHBondContact O-N 2.76Å; V1178-F1180 HydrophobicContact CB-CD2 3.95Å; V1178-F1180 HydrophobicContact CB-CE2 4.31Å; V1178-F1180 HydrophobicContact CG2-CD2 3.64Å; V1178-F1180 HydrophobicContact CG2-CE2 4.22Å; V1178-F1180 WeakPolarHBondContact O-CD2 3.38Å; V1178-F1180 PolarHBondContact O-N 2.97Å; V1178-R1191 WeakPolarHBondContact O-CD 3.47Å; V1178-F1195 HydrophobicContact CG1-CD2 3.19Å; V1178-F1195 HydrophobicContact CG1-CE2 3.41Å; V1178-F1195 VanDerWaalsContact CG1-CE2 3.41Å; V1178-F1195 HydrophobicContact CG1-CG 4.04Å; V1178-F1195 HydrophobicContact CG1-CZ 4.4Å
1179	H	65.6	Low	60.9	Low	79 Å²	79	65.9 Å²	65.9	37%	0.366	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	16.2	173.8	-60.2	-95.4	0	0	0	115.8	C1175 M1176 Q1185 P1186 R1191	C1175-H1179 PolarHBondContact O-N 3.16Å; M1176-H1179 PolarHBondContact O-N 2.87Å; H1179-Q1185 PolarHBondContact O-OE1 3.36Å; H1179-P1186 HydrophobicContact CB-CG 4.27Å; H1179-R1191 PolarHBondContact O-NH1 3.13Å
1180	F	65.3	Low	60.5	Low	46 Å²	46	65 Å²	65	20%	0.202	36%	0.356	C	S	.	.	S	Bend	trans	-70	-33.9	168.9	-79.4	-87.3	0	0	0	112.3	C1175 V1178 Q1185 L1188 G1338 C1339 C1342	C1175-F1180 HydrophobicContact CB-CB 4.32Å; C1175-F1180 PolarHBondContact O-N 3.42Å; V1178-F1180 HydrophobicContact CB-CD2 3.95Å; V1178-F1180 HydrophobicContact CB-CE2 4.31Å; V1178-F1180 HydrophobicContact CG2-CD2 3.64Å; V1178-F1180 HydrophobicContact CG2-CE2 4.22Å; V1178-F1180 WeakPolarHBondContact O-CD2 3.38Å; V1178-F1180 PolarHBondContact O-N 2.97Å; F1180-Q1185 PolarHBondContact O-NE2 2.98Å; F1180-L1188 HydrophobicContact CE1-CD1 4.02Å; F1180-L1188 HydrophobicContact CZ-CD1 3.76Å; F1180-G1338 VanDerWaalsContact CD1-O 3.31Å; F1180-G1338 WeakPolarHBondContact CD1-O 3.47Å; F1180-C1339 WeakPolarHBondContact O-CA 3.42Å; F1180-C1339 VanDerWaalsContact O-CB 3.25Å; F1180-C1339 WeakPolarHBondContact O-CB 3.29Å; F1180-C1339 PolarHBondContact O-N 3.43Å; F1180-C1342 HydrophobicContact CB-CB 3.56Å; F1180-C1342 HydrophobicContact CD1-CB 4.03Å; F1180-C1342 HydrophobicContact CD2-CB 4.34Å; F1180-C1342 HydrophobicContact CG-CB 3.73Å
1181	C	68.8	Low	59.7	Low	18 Å²	18	64.3 Å²	64.3	12%	0.122	35%	0.35	C	S	.	.	S	Bend	trans	-113.9	99.1	172.2	-60	0	0	0	0	109.8	C1175 M1176 C1339	C1175-C1181 HydrophobicContact CB-CB 4.25Å; C1175-C1181 VanDerWaalsContact CB-SG 3.52Å; C1175-C1181 PolarHBondContact O-N 2.93Å; M1176-C1181 WeakPolarHBondContact CA-O 3.49Å; M1176-C1181 HydrophobicContact CG-CB 4.01Å; M1176-C1181 WeakPolarHBondContact CG-O 3.48Å; C1181-C1339 HydrophobicContact CB-CB 4.02Å; C1181-C1339 WeakPolarHBondContact CB-SG 3.31Å; C1181-C1339 WeakPolarHBondContact SG-CA 3.33Å; C1181-C1339 WeakPolarHBondContact SG-CB 3.36Å; C1181-C1339 CovalentContact SG-SG 2.04Å; C1181-C1339 PolarHBondContact SG-SG 3.31Å
1182	G	65.6	Low	58.9	Low	34 Å²	34	67.4 Å²	67.4	35%	0.351	36%	0.364	S	S	.	.	S	Bend	trans	172.4	166.7	178.2	0	0	0	0	0	112.7	Q1185	G1182-Q1185 WeakPolarHBondContact O-CG 3.14Å; G1182-Q1185 PolarHBondContact O-NE2 2.92Å
1183	P	53.6	Low	58	Low	131 Å²	131	67 Å²	67	85%	0.851	36%	0.364	S	S	*	.	S	Bend	trans	-77	-28.5	-177.6	30.3	-35	0	0	0	113.5
1184	N	52.7	Low	57.2	Low	131 Å²	131	66.8 Å²	66.8	70%	0.701	36%	0.364	S	S	*	.	S	Bend	trans	-105.2	101.8	178.6	-67.3	7.7	0	0	0	108.8	P1186	N1184-P1186 WeakPolarHBondContact O-CD 3.48Å
1185	Q	50.4	Low	56	Low	59 Å²	59	71 Å²	71	28%	0.276	38%	0.38	S	S	.	.			trans	-109.1	100.6	-173.1	-70.7	-119	4.8	0	0	109.3	H1179 F1180 G1182 R1191	H1179-Q1185 PolarHBondContact O-OE1 3.36Å; F1180-Q1185 PolarHBondContact O-NE2 2.98Å; G1182-Q1185 WeakPolarHBondContact O-CG 3.14Å; G1182-Q1185 PolarHBondContact O-NE2 2.92Å; Q1185-R1191 VanDerWaalsContact OE1-CZ 3.3Å
1186	P	50.3	Low	54.9	Low	56 Å²	56	75.2 Å²	75.2	36%	0.364	41%	0.405	S	S	.	.			trans	-68.6	164.1	168.9	29.6	-32.5	0	0	0	110.1	H1179 N1184 R1191	H1179-P1186 HydrophobicContact CB-CG 4.27Å; N1184-P1186 WeakPolarHBondContact O-CD 3.48Å; P1186-R1191 HydrophobicContact CG-CG 3.96Å; P1186-R1191 PolarHBondContact O-NE 2.63Å; P1186-R1191 PolarHBondContact O-NH2 3.36Å
1187	D	53.3	Low	53.6	Low	74 Å²	74	75.5 Å²	75.5	40%	0.396	41%	0.408	S	S	.	.			trans	-66.2	167	-178	72.6	84.7	0	0	0	113.3	I1189 S1190 R1191	D1187-I1189 VanDerWaalsContact C-N 3.35Å; D1187-I1189 PolarHBondContact O-N 3.29Å; D1187-I1189 WeakPolarHBondContact OD1-CA 3.42Å; D1187-I1189 WeakPolarHBondContact OD1-CB 3.27Å; D1187-I1189 PolarHBondContact OD1-N 2.84Å; D1187-S1190 PolarHBondContact O-N 3.4Å; D1187-S1190 PolarHBondContact OD1-N 3.06Å; D1187-S1190 WeakPolarHBondContact OD2-CB 3.24Å; D1187-S1190 PolarHBondContact OD2-OG 3.5Å; D1187-R1191 WeakPolarHBondContact O-CG 3.33Å; D1187-R1191 PolarHBondContact O-N 3.41Å
1188	L	44.5	Very low	52.6	Low	101 Å²	101	75.7 Å²	75.7	53%	0.529	41%	0.408	S	S	.	.	H	α-helix	trans	-65.2	-34.8	-175.3	-173.8	65.7	0	0	0	113.2	F1180 R1191 L1192	F1180-L1188 HydrophobicContact CE1-CD1 4.02Å; F1180-L1188 HydrophobicContact CZ-CD1 3.76Å; L1188-R1191 PolarHBondContact O-N 3.25Å; L1188-L1192 HydrophobicContact CG-CD1 4.2Å; L1188-L1192 WeakPolarHBondContact O-CG 3.27Å; L1188-L1192 PolarHBondContact O-N 3.39Å
1189	I	50.4	Low	51.8	Low	114 Å²	114	78 Å²	78	59%	0.585	42%	0.423	S	S	*	.	H	α-helix	trans	-72.4	-45.3	-180	-61.8	172.3	0	0	0	108.9	D1187 R1191 L1192 L1193	D1187-I1189 VanDerWaalsContact C-N 3.35Å; D1187-I1189 PolarHBondContact O-N 3.29Å; D1187-I1189 WeakPolarHBondContact OD1-CA 3.42Å; D1187-I1189 WeakPolarHBondContact OD1-CB 3.27Å; D1187-I1189 PolarHBondContact OD1-N 2.84Å; I1189-R1191 VanDerWaalsContact C-N 3.29Å; I1189-R1191 PolarHBondContact O-N 3.42Å; I1189-L1192 PolarHBondContact O-N 3.02Å; I1189-L1193 HydrophobicContact CG2-CD1 3.91Å; I1189-L1193 WeakPolarHBondContact O-CD1 3.35Å; I1189-L1193 PolarHBondContact O-N 3.23Å
1190	S	48.2	Very low	50.5	Low	57 Å²	57	77.2 Å²	77.2	40%	0.399	42%	0.423	S	S	.	.	H	α-helix	trans	-57.5	-37.9	171.4	-70	0	0	0	0	112.8	D1187 F1194	D1187-S1190 PolarHBondContact O-N 3.4Å; D1187-S1190 PolarHBondContact OD1-N 3.06Å; D1187-S1190 WeakPolarHBondContact OD2-CB 3.24Å; D1187-S1190 PolarHBondContact OD2-OG 3.5Å; S1190-F1194 WeakPolarHBondContact O-CB 3.18Å; S1190-F1194 PolarHBondContact O-N 3.26Å
1191	R	50.4	Low	49.3	Very low	25 Å²	25	79.4 Å²	79.4	9%	0.094	44%	0.437	C	S	.	.	H	α-helix	trans	-67	-44.7	173.7	-72.1	176.4	-142.1	-168.8	6.1	112.5	V1178 H1179 Q1185 P1186 D1187 L1188 I1189 F1194 F1195	V1178-R1191 WeakPolarHBondContact O-CD 3.47Å; H1179-R1191 PolarHBondContact O-NH1 3.13Å; Q1185-R1191 VanDerWaalsContact OE1-CZ 3.3Å; P1186-R1191 HydrophobicContact CG-CG 3.96Å; P1186-R1191 PolarHBondContact O-NE 2.63Å; P1186-R1191 PolarHBondContact O-NH2 3.36Å; D1187-R1191 WeakPolarHBondContact O-CG 3.33Å; D1187-R1191 PolarHBondContact O-N 3.41Å; L1188-R1191 PolarHBondContact O-N 3.25Å; I1189-R1191 VanDerWaalsContact C-N 3.29Å; I1189-R1191 PolarHBondContact O-N 3.42Å; R1191-F1194 PolarHBondContact O-N 2.7Å; R1191-F1195 WeakPolarHBondContact O-CB 3.38Å; R1191-F1195 PolarHBondContact O-N 3.4Å
1192	L	48.2	Very low	47.7	Very low	101 Å²	101	82.6 Å²	82.6	53%	0.529	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-47.6	178.8	-77.2	164.6	0	0	0	110.9	L1188 I1189 F1194 F1195 V1196	L1188-L1192 HydrophobicContact CG-CD1 4.2Å; L1188-L1192 WeakPolarHBondContact O-CG 3.27Å; L1188-L1192 PolarHBondContact O-N 3.39Å; I1189-L1192 PolarHBondContact O-N 3.02Å; L1192-F1194 PolarHBondContact O-N 2.83Å; L1192-F1195 PolarHBondContact O-N 3.45Å; L1192-V1196 WeakPolarHBondContact O-CB 3.07Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.09Å; L1192-V1196 PolarHBondContact O-N 3.07Å
1193	L	49.6	Very low	46.4	Very low	92 Å²	92	87.2 Å²	87.2	48%	0.482	46%	0.461	S	S	.	.	H	α-helix	trans	-57.9	-48.1	172.1	-95.9	73.2	0	0	0	111.3	I1189 F1195 V1196 L1197	I1189-L1193 HydrophobicContact CG2-CD1 3.91Å; I1189-L1193 WeakPolarHBondContact O-CD1 3.35Å; I1189-L1193 PolarHBondContact O-N 3.23Å; L1193-F1195 VanDerWaalsContact C-N 3.28Å; L1193-F1195 PolarHBondContact O-N 3.5Å; L1193-V1196 PolarHBondContact O-N 3.39Å; L1193-L1197 HydrophobicContact CB-CD1 4.16Å; L1193-L1197 HydrophobicContact CD2-CD1 4.47Å; L1193-L1197 HydrophobicContact CG-CD1 4.39Å; L1193-L1197 WeakPolarHBondContact O-CB 3.28Å; L1193-L1197 WeakPolarHBondContact O-CG 3.37Å; L1193-L1197 PolarHBondContact O-N 3.44Å
1194	F	49	Very low	45.6	Very low	82 Å²	82	82.3 Å²	82.3	36%	0.36	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-33	179.9	-172.4	-101.6	0	0	0	112.8	S1190 R1191 L1192 K1198	S1190-F1194 WeakPolarHBondContact O-CB 3.18Å; S1190-F1194 PolarHBondContact O-N 3.26Å; R1191-F1194 PolarHBondContact O-N 2.7Å; L1192-F1194 PolarHBondContact O-N 2.83Å; F1194-K1198 HydrophobicContact CD1-CD 4.39Å; F1194-K1198 HydrophobicContact CE1-CD 3.85Å; F1194-K1198 HydrophobicContact CZ-CD 3.95Å; F1194-K1198 WeakPolarHBondContact O-CB 3.34Å; F1194-K1198 PolarHBondContact O-N 3.48Å
1195	F	44	Very low	44.8	Very low	113 Å²	113	81.8 Å²	81.8	50%	0.496	42%	0.419	S	S	.	.	H	α-helix	trans	-75.8	-46.6	176.9	-155.5	-116.5	0	0	0	111.8	V1178 R1191 L1192 L1193 T1199	V1178-F1195 HydrophobicContact CG1-CD2 3.19Å; V1178-F1195 HydrophobicContact CG1-CE2 3.41Å; V1178-F1195 VanDerWaalsContact CG1-CE2 3.41Å; V1178-F1195 HydrophobicContact CG1-CG 4.04Å; V1178-F1195 HydrophobicContact CG1-CZ 4.4Å; R1191-F1195 WeakPolarHBondContact O-CB 3.38Å; R1191-F1195 PolarHBondContact O-N 3.4Å; L1192-F1195 PolarHBondContact O-N 3.45Å; L1193-F1195 VanDerWaalsContact C-N 3.28Å; L1193-F1195 PolarHBondContact O-N 3.5Å; F1195-T1199 WeakPolarHBondContact O-CB 3.22Å; F1195-T1199 PolarHBondContact O-N 3.32Å; F1195-T1199 PolarHBondContact O-OG1 3.15Å
1196	V	48.6	Very low	44.1	Very low	88 Å²	88	84.2 Å²	84.2	53%	0.533	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-58.4	177.4	171.9	0	0	0	0	110.9	L1192 L1193 K1198 T1199 V1200	L1192-V1196 WeakPolarHBondContact O-CB 3.07Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.09Å; L1192-V1196 PolarHBondContact O-N 3.07Å; L1193-V1196 PolarHBondContact O-N 3.39Å; V1196-K1198 PolarHBondContact O-N 2.83Å; V1196-K1198 VanDerWaalsContact O-N 3.17Å; V1196-T1199 PolarHBondContact O-N 3.42Å; V1196-T1199 VanDerWaalsContact O-N 3.11Å; V1196-V1200 WeakPolarHBondContact O-CG2 3.08Å; V1196-V1200 PolarHBondContact O-N 3.44Å; V1196-V1200 VanDerWaalsContact O-N 3.08Å
1197	L	45.5	Very low	43.5	Very low	101 Å²	101	86.1 Å²	86.1	53%	0.529	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-31.8	-175.9	-65.6	170.8	0	0	0	112.5	L1193 N1201	L1193-L1197 HydrophobicContact CB-CD1 4.16Å; L1193-L1197 HydrophobicContact CD2-CD1 4.47Å; L1193-L1197 HydrophobicContact CG-CD1 4.39Å; L1193-L1197 WeakPolarHBondContact O-CB 3.28Å; L1193-L1197 WeakPolarHBondContact O-CG 3.37Å; L1193-L1197 PolarHBondContact O-N 3.44Å; L1197-N1201 WeakPolarHBondContact O-CB 3.42Å; L1197-N1201 PolarHBondContact O-N 2.96Å; L1197-N1201 VanDerWaalsContact O-N 3.09Å
1198	K	42.8	Very low	42.7	Very low	68 Å²	68	87.3 Å²	87.3	30%	0.296	45%	0.451	S	S	.	.	H	α-helix	trans	-84.1	-26.6	179.6	-165.3	-176.7	-172.5	-175.1	0	113.5	F1164 F1194 V1196 F1202	F1164-K1198 VanDerWaalsContact CE1-NZ 3.34Å; F1194-K1198 HydrophobicContact CD1-CD 4.39Å; F1194-K1198 HydrophobicContact CE1-CD 3.85Å; F1194-K1198 HydrophobicContact CZ-CD 3.95Å; F1194-K1198 WeakPolarHBondContact O-CB 3.34Å; F1194-K1198 PolarHBondContact O-N 3.48Å; V1196-K1198 PolarHBondContact O-N 2.83Å; V1196-K1198 VanDerWaalsContact O-N 3.17Å; K1198-F1202 WeakPolarHBondContact O-CB 3.37Å; K1198-F1202 PolarHBondContact O-N 2.92Å
1199	T	40.2	Very low	42.5	Very low	68 Å²	68	91.6 Å²	91.6	42%	0.417	47%	0.469	S	S	.	.	H	α-helix	trans	-67.7	-48.5	170.9	-56	0	0	0	0	109.4	F1195 V1196 N1201 F1202 E1203	F1195-T1199 WeakPolarHBondContact O-CB 3.22Å; F1195-T1199 PolarHBondContact O-N 3.32Å; F1195-T1199 PolarHBondContact O-OG1 3.15Å; V1196-T1199 PolarHBondContact O-N 3.42Å; V1196-T1199 VanDerWaalsContact O-N 3.11Å; T1199-N1201 VanDerWaalsContact C-N 3.33Å; T1199-N1201 PolarHBondContact O-N 3.05Å; T1199-F1202 WeakPolarHBondContact O-CB 3.46Å; T1199-F1202 PolarHBondContact O-N 2.94Å; T1199-E1203 PolarHBondContact O-N 3.13Å
1200	V	39.5	Very low	41.9	Very low	62 Å²	62	93.7 Å²	93.7	38%	0.376	48%	0.476	S	S	.	.	H	α-helix	trans	-56.8	-44.6	173.3	176.9	0	0	0	0	111.5	V1196 F1202 E1203 I1204	V1196-V1200 WeakPolarHBondContact O-CG2 3.08Å; V1196-V1200 PolarHBondContact O-N 3.44Å; V1196-V1200 VanDerWaalsContact O-N 3.08Å; V1200-F1202 PolarHBondContact O-N 2.99Å; V1200-E1203 PolarHBondContact O-N 3.25Å; V1200-I1204 HydrophobicContact CG1-CD1 3.91Å; V1200-I1204 WeakPolarHBondContact O-CD1 3.49Å; V1200-I1204 WeakPolarHBondContact O-CG1 3.48Å; V1200-I1204 PolarHBondContact O-N 3.28Å
1201	N	40.1	Very low	41.4	Very low	93 Å²	93	94.1 Å²	94.1	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-74.4	-5.6	178	-158.5	-9.1	0	0	0	114.2	L1197 T1199	L1197-N1201 WeakPolarHBondContact O-CB 3.42Å; L1197-N1201 PolarHBondContact O-N 2.96Å; L1197-N1201 VanDerWaalsContact O-N 3.09Å; T1199-N1201 VanDerWaalsContact C-N 3.33Å; T1199-N1201 PolarHBondContact O-N 3.05Å
1202	F	35.1	Very low	40.7	Very low	85 Å²	85	103 Å²	103	37%	0.373	52%	0.516	S	S	.	.	H	α-helix	trans	-86.7	-41.1	168.5	-170.1	-92.7	0	0	0	110.9	H1165 K1198 T1199 V1200 K1205	H1165-F1202 AromaticContact CE1-CE2 3.99Å; H1165-F1202 AromaticContact CE1-CZ 3.75Å; K1198-F1202 WeakPolarHBondContact O-CB 3.37Å; K1198-F1202 PolarHBondContact O-N 2.92Å; T1199-F1202 WeakPolarHBondContact O-CB 3.46Å; T1199-F1202 PolarHBondContact O-N 2.94Å; V1200-F1202 PolarHBondContact O-N 2.99Å; F1202-K1205 PolarHBondContact O-N 3.28Å
1203	E	37.1	Very low	40.2	Very low	131 Å²	131	102 Å²	102	61%	0.612	52%	0.516	S	S	*	.	H	α-helix	trans	-66.2	-43.5	178	-63.6	-171.7	141.9	0	0	112.2	T1199 V1200 K1205 V1206 V1207	T1199-E1203 PolarHBondContact O-N 3.13Å; V1200-E1203 PolarHBondContact O-N 3.25Å; E1203-K1205 PolarHBondContact O-N 3.04Å; E1203-K1205 VanDerWaalsContact O-N 3.14Å; E1203-V1206 PolarHBondContact O-N 3.08Å; E1203-V1207 PolarHBondContact O-N 3.4Å
1204	I	38.6	Very low	39.8	Very low	27 Å²	27	100.4 Å²	100.4	14%	0.138	51%	0.511	C	S	.	.	H	α-helix	trans	-55.1	-36	177.2	-65.2	161.3	0	0	0	111.8	V1200 V1206 V1207 Q1208 K1287	V1200-I1204 HydrophobicContact CG1-CD1 3.91Å; V1200-I1204 WeakPolarHBondContact O-CD1 3.49Å; V1200-I1204 WeakPolarHBondContact O-CG1 3.48Å; V1200-I1204 PolarHBondContact O-N 3.28Å; I1204-V1206 VanDerWaalsContact C-N 3.33Å; I1204-V1206 PolarHBondContact O-N 2.91Å; I1204-V1207 PolarHBondContact O-N 2.89Å; I1204-Q1208 WeakPolarHBondContact O-CG 3.4Å; I1204-K1287 VanDerWaalsContact CD1-O 3.28Å; I1204-K1287 WeakPolarHBondContact CD1-O 3.45Å
1205	K	34	Very low	39.8	Very low	120 Å²	120	101.8 Å²	101.8	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-75.4	-16.8	179.6	-73.8	-171.8	174.5	-171.4	0	114.7	F1202 E1203	F1202-K1205 PolarHBondContact O-N 3.28Å; E1203-K1205 PolarHBondContact O-N 3.04Å; E1203-K1205 VanDerWaalsContact O-N 3.14Å
1206	V	37.3	Very low	40.2	Very low	111 Å²	111	99.9 Å²	99.9	67%	0.673	52%	0.519	S	S	*	.	H	α-helix	trans	-85.1	-20.1	174.3	178.6	0	0	0	0	111.2	E1203 I1204	E1203-V1206 PolarHBondContact O-N 3.08Å; I1204-V1206 VanDerWaalsContact C-N 3.33Å; I1204-V1206 PolarHBondContact O-N 2.91Å
1207	V	38	Very low	40.7	Very low	95 Å²	95	97.6 Å²	97.6	58%	0.576	50%	0.504	S	S	*	.	H	α-helix	trans	-89.7	-22.5	-176.7	176.9	0	0	0	0	113.3	E1203 I1204 E1209	E1203-V1207 PolarHBondContact O-N 3.4Å; I1204-V1207 PolarHBondContact O-N 2.89Å; V1207-E1209 PolarHBondContact O-N 3.08Å
1208	Q	36.5	Very low	41.8	Very low	99 Å²	99	98.5 Å²	98.5	46%	0.463	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.7	-165.8	-80.5	178	-11.7	0	0	117.2	I1204	I1204-Q1208 WeakPolarHBondContact O-CG 3.4Å
1209	E	39.6	Very low	43.2	Very low	191 Å²	191	100 Å²	100	89%	0.893	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-12.9	-173.2	-66.7	-163.8	134.5	0	0	116.1	V1207	V1207-E1209 PolarHBondContact O-N 3.08Å
1210	E	38.2	Very low	44.8	Very low	159 Å²	159	100.5 Å²	100.5	74%	0.743	51%	0.509	S	S	*	.	S	Bend	trans	-117.3	-7	-175.2	-64.7	-159.2	135	0	0	116.3	K1212	E1210-K1212 PolarHBondContact O-N 3.22Å
1211	V	37.9	Very low	46.8	Very low	66 Å²	66	97.6 Å²	97.6	40%	0.4	49%	0.491	S	S	.	.			trans	-85.9	100.9	-168.8	-176.5	0	0	0	0	113.6	I1217	V1211-I1217 HydrophobicContact CG1-CD1 3.65Å
1212	K	34.4	Very low	48.9	Very low	212 Å²	212	94.4 Å²	94.4	92%	0.922	48%	0.475	S	S	*	.			trans	-107.6	43.7	172.6	-73.2	-173.8	176.9	175.1	0	114.4	E1210	E1210-K1212 PolarHBondContact O-N 3.22Å
1213	S	38.6	Very low	51.2	Low	78 Å²	78	96.3 Å²	96.3	55%	0.545	48%	0.484	S	S	.	.			trans	-156.6	92	171.1	53.8	0	0	0	0	110.1	I1217	S1213-I1217 WeakPolarHBondContact O-CD1 3.39Å
1214	V	41.1	Very low	53.4	Low	60 Å²	60	95.1 Å²	95.1	36%	0.364	48%	0.479	S	S	.	.			trans	-108	12.4	-156.6	-150.2	0	0	0	0	113.9	K1292	V1214-K1292 HydrophobicContact CB-CD 3.99Å; V1214-K1292 HydrophobicContact CB-CG 4.24Å; V1214-K1292 HydrophobicContact CG1-CB 4.21Å; V1214-K1292 HydrophobicContact CG1-CD 4.15Å; V1214-K1292 HydrophobicContact CG1-CG 3.85Å
1215	D	48	Very low	55.7	Low	110 Å²	110	94 Å²	94	59%	0.588	47%	0.473	S	S	*	.	S	Bend	trans	-117.1	-10.7	-173.4	-55.6	-52.4	0	0	0	113.3	K1292	D1215-K1292 WeakPolarHBondContact OD1-CD 3.5Å; D1215-K1292 IonicContact OD1-NZ 3.17Å; D1215-K1292 PolarHBondContact OD1-NZ 3.08Å; D1215-K1292 IonicContact OD2-NZ 2.87Å; D1215-K1292 PolarHBondContact OD2-NZ 3.38Å
1216	V	52.2	Low	58	Low	74 Å²	74	92.8 Å²	92.8	45%	0.448	47%	0.473	S	S	.	.	S	Bend	trans	-90.5	-20.2	177.4	-179.6	0	0	0	0	112.2	W1218	V1216-W1218 VanDerWaalsContact C-N 3.34Å; V1216-W1218 PolarHBondContact O-N 2.89Å
1217	I	60.3	Low	60.3	Low	39 Å²	39	92 Å²	92	20%	0.2	46%	0.462	C	S	.	.	H	α-helix	trans	-83.7	-13.7	-169.4	-46.2	179.4	0	0	0	111.6	V1211 S1213 C1221 M1290	V1211-I1217 HydrophobicContact CG1-CD1 3.65Å; S1213-I1217 WeakPolarHBondContact O-CD1 3.39Å; I1217-C1221 PolarHBondContact O-N 3.05Å; I1217-M1290 CarbonylContact C-O 3.57Å; I1217-M1290 HydrophobicContact CG2-CB 3.83Å; I1217-M1290 HydrophobicContact CG2-CE 3.86Å; I1217-M1290 HydrophobicContact CG2-CG 3.97Å
1218	W	69.3	Low	62.4	Low	121 Å²	121	91.5 Å²	91.5	46%	0.458	45%	0.454	S	S	.	.	H	α-helix	trans	-68.8	-54.9	177.9	-177.5	88.4	0	0	0	111.7	V1216 E1220 C1221 V1222	V1216-W1218 VanDerWaalsContact C-N 3.34Å; V1216-W1218 PolarHBondContact O-N 2.89Å; W1218-E1220 PolarHBondContact O-N 3.45Å; W1218-C1221 PolarHBondContact O-N 3.35Å; W1218-V1222 HydrophobicContact CD2-CG2 4.23Å; W1218-V1222 HydrophobicContact CH2-CG2 4.46Å; W1218-V1222 HydrophobicContact CZ2-CG2 4.08Å; W1218-V1222 WeakPolarHBondContact O-CG2 3.38Å; W1218-V1222 PolarHBondContact O-N 3.45Å
1219	D	71.6	Confident	64.8	Low	100 Å²	100	87.1 Å²	87.1	54%	0.535	43%	0.434	S	S	.	.	H	α-helix	trans	-59	-44.4	-178	-63.2	-70.5	0	0	0	112	C1221 V1222 F1223	D1219-C1221 VanDerWaalsContact C-N 3.33Å; D1219-C1221 PolarHBondContact O-N 3.11Å; D1219-V1222 PolarHBondContact O-N 3.46Å; D1219-F1223 WeakPolarHBondContact O-CB 3.37Å; D1219-F1223 PolarHBondContact O-N 2.91Å
1220	E	73.7	Confident	67	Low	77 Å²	77	82.6 Å²	82.6	36%	0.36	42%	0.42	S	S	.	.	H	α-helix	trans	-63	-38.3	-179.2	-65.6	-174.1	154.3	0	0	112.1	W1218 M1224	W1218-E1220 PolarHBondContact O-N 3.45Å; E1220-M1224 WeakPolarHBondContact O-CG 3.34Å; E1220-M1224 PolarHBondContact O-N 3.4Å
1221	C	81.3	Confident	69.2	Low	1 Å²	1	78.9 Å²	78.9	1%	0.007	40%	0.404	C	S	.	.	H	α-helix	trans	-73.6	-42.2	177.9	-176	0	0	0	0	112.6	I1217 W1218 D1219 F1223 M1224 V1225 C1285 M1290	I1217-C1221 PolarHBondContact O-N 3.05Å; W1218-C1221 PolarHBondContact O-N 3.35Å; D1219-C1221 VanDerWaalsContact C-N 3.33Å; D1219-C1221 PolarHBondContact O-N 3.11Å; C1221-F1223 VanDerWaalsContact C-N 3.31Å; C1221-F1223 PolarHBondContact O-N 3.41Å; C1221-M1224 PolarHBondContact O-N 2.86Å; C1221-V1225 WeakPolarHBondContact O-CG2 3.33Å; C1221-V1225 PolarHBondContact O-N 2.66Å; C1221-C1285 HydrophobicContact CB-CB 3.79Å; C1221-C1285 WeakPolarHBondContact CB-SG 3.39Å; C1221-C1285 WeakPolarHBondContact SG-CA 3.44Å; C1221-C1285 WeakPolarHBondContact SG-CB 3.43Å; C1221-C1285 CovalentContact SG-SG 2.03Å; C1221-C1285 PolarHBondContact SG-SG 2.05Å; C1221-M1290 HydrophobicContact CB-CB 3.78Å; C1221-M1290 HydrophobicContact CB-CG 4.39Å; C1221-M1290 HydrophobicContact CB-SD 3.76Å
1222	V	83.3	Confident	71.5	Confident	26 Å²	26	76.4 Å²	76.4	16%	0.158	39%	0.389	C	S	.	.	H	α-helix	trans	-59.8	-45.1	175.7	174.8	0	0	0	0	110.2	W1218 D1219 M1224 V1225 D1226 P1281	W1218-V1222 HydrophobicContact CD2-CG2 4.23Å; W1218-V1222 HydrophobicContact CH2-CG2 4.46Å; W1218-V1222 HydrophobicContact CZ2-CG2 4.08Å; W1218-V1222 WeakPolarHBondContact O-CG2 3.38Å; W1218-V1222 PolarHBondContact O-N 3.45Å; D1219-V1222 PolarHBondContact O-N 3.46Å; V1222-M1224 PolarHBondContact O-N 3.45Å; V1222-V1225 PolarHBondContact O-N 3.07Å; V1222-D1226 PolarHBondContact O-N 3.25Å; V1222-P1281 HydrophobicContact CB-CB 4.47Å; V1222-P1281 HydrophobicContact CG1-CB 4.2Å; V1222-P1281 HydrophobicContact CG1-CG 4.11Å; V1222-P1281 HydrophobicContact CG2-CB 4.33Å
1223	F	83.7	Confident	74	Confident	126 Å²	126	73.7 Å²	73.7	55%	0.553	37%	0.373	S	S	*	.	H	α-helix	trans	-59.3	-45.8	175.1	177.3	-103.4	0	0	0	112.8	D1219 C1221 V1225 D1226 E1227	D1219-F1223 WeakPolarHBondContact O-CB 3.37Å; D1219-F1223 PolarHBondContact O-N 2.91Å; C1221-F1223 VanDerWaalsContact C-N 3.31Å; C1221-F1223 PolarHBondContact O-N 3.41Å; F1223-V1225 VanDerWaalsContact C-N 3.31Å; F1223-V1225 PolarHBondContact O-N 2.85Å; F1223-D1226 PolarHBondContact O-N 2.85Å; F1223-E1227 HydrophobicContact CD1-CG 4.42Å; F1223-E1227 HydrophobicContact CD2-CG 4.4Å; F1223-E1227 HydrophobicContact CE1-CG 3.89Å; F1223-E1227 HydrophobicContact CE2-CG 3.86Å; F1223-E1227 HydrophobicContact CZ-CG 3.57Å; F1223-E1227 WeakPolarHBondContact O-CG 3.23Å; F1223-E1227 PolarHBondContact O-N 3.07Å
1224	M	83.4	Confident	76.4	Confident	106 Å²	106	72.9 Å²	72.9	52%	0.522	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-34.8	176.8	-76.5	-158.8	-56.6	0	0	113.1	E1220 C1221 V1222 M1228 M1290	E1220-M1224 WeakPolarHBondContact O-CG 3.34Å; E1220-M1224 PolarHBondContact O-N 3.4Å; C1221-M1224 PolarHBondContact O-N 2.86Å; V1222-M1224 PolarHBondContact O-N 3.45Å; M1224-M1228 WeakPolarHBondContact O-CB 3.33Å; M1224-M1228 PolarHBondContact O-N 3.27Å; M1224-M1290 HydrophobicContact CE-CE 4.28Å; M1224-M1290 HydrophobicContact CE-SD 4.32Å
1225	V	86.5	Confident	78.6	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.012	37%	0.369	C	S	.	.	H	α-helix	trans	-71.4	-37.7	177.3	174	0	0	0	0	111.7	C1221 V1222 F1223 M1228 T1229 L1278 P1281 F1284	C1221-V1225 WeakPolarHBondContact O-CG2 3.33Å; C1221-V1225 PolarHBondContact O-N 2.66Å; V1222-V1225 PolarHBondContact O-N 3.07Å; F1223-V1225 VanDerWaalsContact C-N 3.31Å; F1223-V1225 PolarHBondContact O-N 2.85Å; V1225-M1228 PolarHBondContact O-N 2.86Å; V1225-T1229 WeakPolarHBondContact O-CB 3.24Å; V1225-T1229 PolarHBondContact O-N 3.42Å; V1225-T1229 PolarHBondContact O-OG1 3.16Å; V1225-L1278 HydrophobicContact CG1-CB 4.13Å; V1225-L1278 HydrophobicContact CG1-CD2 4.03Å; V1225-L1278 VanDerWaalsContact CG1-O 3.24Å; V1225-L1278 WeakPolarHBondContact CG1-O 3.27Å; V1225-L1278 HydrophobicContact CG2-CD2 4.48Å; V1225-P1281 HydrophobicContact CB-CB 3.84Å; V1225-P1281 HydrophobicContact CG1-CB 3.74Å; V1225-P1281 HydrophobicContact CG2-CB 4.35Å; V1225-F1284 HydrophobicContact CG2-CB 4.35Å; V1225-F1284 HydrophobicContact CG2-CD1 3.38Å; V1225-F1284 HydrophobicContact CG2-CE1 3.79Å; V1225-F1284 HydrophobicContact CG2-CG 3.93Å
1226	D	83.8	Confident	80.4	Confident	95 Å²	95	72.6 Å²	72.6	51%	0.508	37%	0.366	S	S	.	.	H	α-helix	trans	-65.7	-44	174.5	-89.9	-5.4	0	0	0	111.9	V1222 F1223 T1229 T1230	V1222-D1226 PolarHBondContact O-N 3.25Å; F1223-D1226 PolarHBondContact O-N 2.85Å; D1226-T1229 PolarHBondContact O-N 2.9Å; D1226-T1230 WeakPolarHBondContact O-CB 3.31Å; D1226-T1230 PolarHBondContact O-N 2.9Å; D1226-T1230 PolarHBondContact O-OG1 2.79Å
1227	E	84.4	Confident	82.1	Confident	95 Å²	95	73.7 Å²	73.7	44%	0.444	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-45.5	174.3	-71.1	-72.6	151.2	0	0	111.5	F1223 T1229 T1230 I1231	F1223-E1227 HydrophobicContact CD1-CG 4.42Å; F1223-E1227 HydrophobicContact CD2-CG 4.4Å; F1223-E1227 HydrophobicContact CE1-CG 3.89Å; F1223-E1227 HydrophobicContact CE2-CG 3.86Å; F1223-E1227 HydrophobicContact CZ-CG 3.57Å; F1223-E1227 WeakPolarHBondContact O-CG 3.23Å; F1223-E1227 PolarHBondContact O-N 3.07Å; E1227-T1229 VanDerWaalsContact C-N 3.35Å; E1227-T1229 PolarHBondContact O-N 2.85Å; E1227-T1230 WeakPolarHBondContact O-CB 2.96Å; E1227-T1230 PolarHBondContact O-N 3.25Å; E1227-T1230 VanDerWaalsContact O-N 3.16Å; E1227-I1231 WeakPolarHBondContact O-CG1 3.33Å; E1227-I1231 PolarHBondContact O-N 2.94Å
1228	M	83.2	Confident	83.5	Confident	84 Å²	84	74.1 Å²	74.1	41%	0.414	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-40.5	176.7	-173.3	174.6	-176.1	0	0	111.8	M1224 V1225 T1230 I1231 L1232 L1278	M1224-M1228 WeakPolarHBondContact O-CB 3.33Å; M1224-M1228 PolarHBondContact O-N 3.27Å; V1225-M1228 PolarHBondContact O-N 2.86Å; M1228-T1230 VanDerWaalsContact C-N 3.33Å; M1228-I1231 PolarHBondContact O-N 2.98Å; M1228-L1232 HydrophobicContact CE-CD1 4.01Å; M1228-L1232 HydrophobicContact CG-CD1 3.79Å; M1228-L1232 HydrophobicContact CG-CG 4.48Å; M1228-L1232 WeakPolarHBondContact O-CB 3.02Å; M1228-L1232 WeakPolarHBondContact O-CD1 3.21Å; M1228-L1232 VanDerWaalsContact O-CG 3.23Å; M1228-L1232 WeakPolarHBondContact O-CG 3.44Å; M1228-L1232 PolarHBondContact O-N 2.89Å; M1228-L1278 HydrophobicContact CE-CD1 4.21Å; M1228-L1278 HydrophobicContact CG-CD1 3.93Å; M1228-L1278 HydrophobicContact SD-CD1 4.04Å; M1228-L1278 HydrophobicContact SD-CD2 4.12Å
1229	T	86.2	Confident	84.4	Confident	7 Å²	7	75 Å²	75	4%	0.043	37%	0.371	C	S	.	.	H	α-helix	trans	-65.1	-37.4	174.4	-60.8	0	0	0	0	111.4	V1225 D1226 E1227 R1233 L1275 L1278	V1225-T1229 WeakPolarHBondContact O-CB 3.24Å; V1225-T1229 PolarHBondContact O-N 3.42Å; V1225-T1229 PolarHBondContact O-OG1 3.16Å; D1226-T1229 PolarHBondContact O-N 2.9Å; E1227-T1229 VanDerWaalsContact C-N 3.35Å; E1227-T1229 PolarHBondContact O-N 2.85Å; T1229-R1233 HydrophobicContact CG2-CG 4.5Å; T1229-R1233 WeakPolarHBondContact O-CB 3.47Å; T1229-R1233 WeakPolarHBondContact O-CG 3.44Å; T1229-R1233 PolarHBondContact O-N 3.46Å; T1229-R1233 VanDerWaalsContact O-N 3.07Å; T1229-L1275 HydrophobicContact CG2-CD2 4.18Å; T1229-L1278 WeakPolarHBondContact OG1-CB 3.27Å
1230	T	85.7	Confident	85.1	Confident	96 Å²	96	75.2 Å²	75.2	59%	0.589	37%	0.372	S	S	*	.	H	α-helix	trans	-66.3	-46	177.5	-60.7	0	0	0	0	111.3	D1226 E1227 M1228 R1233	D1226-T1230 WeakPolarHBondContact O-CB 3.31Å; D1226-T1230 PolarHBondContact O-N 2.9Å; D1226-T1230 PolarHBondContact O-OG1 2.79Å; E1227-T1230 WeakPolarHBondContact O-CB 2.96Å; E1227-T1230 PolarHBondContact O-N 3.25Å; E1227-T1230 VanDerWaalsContact O-N 3.16Å; M1228-T1230 VanDerWaalsContact C-N 3.33Å; T1230-R1233 PolarHBondContact O-N 2.96Å
1231	I	84.7	Confident	85.7	Confident	81 Å²	81	74 Å²	74	42%	0.415	37%	0.368	S	S	.	.	H	α-helix	trans	-63.8	-45.9	176.6	-66.9	164.6	0	0	0	111.1	E1227 M1228 R1233 D1234 Y1237	E1227-I1231 WeakPolarHBondContact O-CG1 3.33Å; E1227-I1231 PolarHBondContact O-N 2.94Å; M1228-I1231 PolarHBondContact O-N 2.98Å; I1231-R1233 VanDerWaalsContact C-N 3.26Å; I1231-R1233 PolarHBondContact O-N 2.84Å; I1231-D1234 PolarHBondContact O-N 2.82Å; I1231-Y1237 HydrophobicContact CG2-CD1 3.68Å; I1231-Y1237 HydrophobicContact CG2-CD2 4.44Å; I1231-Y1237 HydrophobicContact CG2-CE1 3.46Å; I1231-Y1237 VanDerWaalsContact CG2-CE1 3.46Å; I1231-Y1237 HydrophobicContact CG2-CE2 4.26Å; I1231-Y1237 HydrophobicContact CG2-CG 4.18Å
1232	L	86.3	Confident	86.1	Confident	15 Å²	15	76.1 Å²	76.1	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-72.1	-16.5	-178.1	-69.6	169.4	0	0	0	114	M1228 Q1238 F1271 L1274 L1275 L1278	M1228-L1232 HydrophobicContact CE-CD1 4.01Å; M1228-L1232 HydrophobicContact CG-CD1 3.79Å; M1228-L1232 HydrophobicContact CG-CG 4.48Å; M1228-L1232 WeakPolarHBondContact O-CB 3.02Å; M1228-L1232 WeakPolarHBondContact O-CD1 3.21Å; M1228-L1232 VanDerWaalsContact O-CG 3.23Å; M1228-L1232 WeakPolarHBondContact O-CG 3.44Å; M1228-L1232 PolarHBondContact O-N 2.89Å; L1232-Q1238 PolarHBondContact O-NE2 2.9Å; L1232-F1271 HydrophobicContact CD2-CD1 4.16Å; L1232-F1271 HydrophobicContact CD2-CE1 3.84Å; L1232-L1274 HydrophobicContact CD1-CD2 3.58Å; L1232-L1274 HydrophobicContact CD1-CG 3.86Å; L1232-L1274 HydrophobicContact CD2-CD2 4Å; L1232-L1274 HydrophobicContact CG-CD2 4.45Å; L1232-L1275 HydrophobicContact CB-CD2 3.69Å; L1232-L1275 HydrophobicContact CB-CG 4.43Å; L1232-L1278 HydrophobicContact CD1-CD1 3.45Å; L1232-L1278 VanDerWaalsContact CD1-CD1 3.45Å
1233	R	87.5	Confident	86.3	Confident	154 Å²	154	76.4 Å²	76.4	58%	0.581	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.8	172.9	-81	175.9	-176.6	-177.3	5.2	113.9	T1229 T1230 I1231 P1235 L1275	T1229-R1233 HydrophobicContact CG2-CG 4.5Å; T1229-R1233 WeakPolarHBondContact O-CB 3.47Å; T1229-R1233 WeakPolarHBondContact O-CG 3.44Å; T1229-R1233 PolarHBondContact O-N 3.46Å; T1229-R1233 VanDerWaalsContact O-N 3.07Å; T1230-R1233 PolarHBondContact O-N 2.96Å; I1231-R1233 VanDerWaalsContact C-N 3.26Å; I1231-R1233 PolarHBondContact O-N 2.84Å; R1233-P1235 WeakPolarHBondContact O-CD 3.33Å; R1233-L1275 HydrophobicContact CG-CD1 4.01Å; R1233-L1275 HydrophobicContact CG-CD2 3.75Å
1234	D	87.4	Confident	86.4	Confident	62 Å²	62	73.2 Å²	73.2	33%	0.332	38%	0.382	S	S	.	.			trans	-69.4	115	-179.8	173.7	26.3	0	0	0	111.4	I1231 T1236 Y1237 Q1238	I1231-D1234 PolarHBondContact O-N 2.82Å; D1234-T1236 PolarHBondContact O-N 3.42Å; D1234-T1236 VanDerWaalsContact O-N 3.13Å; D1234-T1236 VanDerWaalsContact OD1-CB 3.27Å; D1234-T1236 WeakPolarHBondContact OD1-CB 3.2Å; D1234-T1236 PolarHBondContact OD1-N 3.11Å; D1234-T1236 PolarHBondContact OD1-OG1 2.95Å; D1234-T1236 VanDerWaalsContact OD2-CB 3.27Å; D1234-T1236 WeakPolarHBondContact OD2-CB 3.35Å; D1234-T1236 PolarHBondContact OD2-OG1 3.15Å; D1234-Y1237 PolarHBondContact O-N 2.78Å; D1234-Y1237 WeakPolarHBondContact OD2-CB 3.16Å; D1234-Y1237 PolarHBondContact OD2-N 3.24Å; D1234-Q1238 WeakPolarHBondContact O-CG 3.46Å; D1234-Q1238 PolarHBondContact O-N 2.77Å
1235	P	87.1	Confident	86.5	Confident	78 Å²	78	71.3 Å²	71.3	51%	0.506	37%	0.373	S	S	.	.	H	α-helix	trans	-66.5	-13.8	178	-18	33.2	0	0	0	113.4	R1233 K1239	R1233-P1235 WeakPolarHBondContact O-CD 3.33Å; P1235-K1239 WeakPolarHBondContact O-CD 3.41Å; P1235-K1239 VanDerWaalsContact O-CG 3.24Å; P1235-K1239 WeakPolarHBondContact O-CG 3.39Å; P1235-K1239 PolarHBondContact O-N 2.96Å
1236	T	87.4	Confident	86.6	Confident	85 Å²	85	73.8 Å²	73.8	52%	0.521	38%	0.384	S	S	.	.	H	α-helix	trans	-76.3	-56.9	173.1	-26.2	0	0	0	0	109.2	D1234 Q1238 K1239 D1240	D1234-T1236 PolarHBondContact O-N 3.42Å; D1234-T1236 VanDerWaalsContact O-N 3.13Å; D1234-T1236 VanDerWaalsContact OD1-CB 3.27Å; D1234-T1236 WeakPolarHBondContact OD1-CB 3.2Å; D1234-T1236 PolarHBondContact OD1-N 3.11Å; D1234-T1236 PolarHBondContact OD1-OG1 2.95Å; D1234-T1236 VanDerWaalsContact OD2-CB 3.27Å; D1234-T1236 WeakPolarHBondContact OD2-CB 3.35Å; D1234-T1236 PolarHBondContact OD2-OG1 3.15Å; T1236-Q1238 VanDerWaalsContact C-N 3.3Å; T1236-Q1238 PolarHBondContact O-N 2.77Å; T1236-K1239 WeakPolarHBondContact O-CA 3.38Å; T1236-K1239 WeakPolarHBondContact O-CB 3.4Å; T1236-K1239 PolarHBondContact O-N 2.78Å; T1236-D1240 PolarHBondContact O-N 3.1Å
1237	Y	87.4	Confident	86.7	Confident	98 Å²	98	72.9 Å²	72.9	38%	0.384	38%	0.379	S	S	.	.	H	α-helix	trans	-53.2	-41.9	173.3	-166.8	-109.4	0	0	0	113.4	I1231 D1234 K1239 D1240 I1241	I1231-Y1237 HydrophobicContact CG2-CD1 3.68Å; I1231-Y1237 HydrophobicContact CG2-CD2 4.44Å; I1231-Y1237 HydrophobicContact CG2-CE1 3.46Å; I1231-Y1237 VanDerWaalsContact CG2-CE1 3.46Å; I1231-Y1237 HydrophobicContact CG2-CE2 4.26Å; I1231-Y1237 HydrophobicContact CG2-CG 4.18Å; D1234-Y1237 PolarHBondContact O-N 2.78Å; D1234-Y1237 WeakPolarHBondContact OD2-CB 3.16Å; D1234-Y1237 PolarHBondContact OD2-N 3.24Å; Y1237-K1239 PolarHBondContact O-N 3.28Å; Y1237-D1240 PolarHBondContact O-N 3.18Å; Y1237-I1241 HydrophobicContact CD1-CD1 3.79Å; Y1237-I1241 HydrophobicContact CE1-CD1 3.42Å; Y1237-I1241 VanDerWaalsContact CE1-CD1 3.42Å; Y1237-I1241 HydrophobicContact CE1-CG1 4.48Å; Y1237-I1241 WeakPolarHBondContact O-CG1 3.43Å; Y1237-I1241 PolarHBondContact O-N 3.21Å
1238	Q	89	Confident	86.7	Confident	48 Å²	48	73.6 Å²	73.6	22%	0.224	39%	0.386	C	S	.	.	H	α-helix	trans	-59.8	-42.5	174.2	-69.5	-176.5	3.2	0	0	112.6	L1232 D1234 T1236 Q1242 F1271	L1232-Q1238 PolarHBondContact O-NE2 2.9Å; D1234-Q1238 WeakPolarHBondContact O-CG 3.46Å; D1234-Q1238 PolarHBondContact O-N 2.77Å; T1236-Q1238 VanDerWaalsContact C-N 3.3Å; T1236-Q1238 PolarHBondContact O-N 2.77Å; Q1238-Q1242 WeakPolarHBondContact O-CB 3.34Å; Q1238-Q1242 PolarHBondContact O-N 3.32Å; Q1238-F1271 HydrophobicContact CB-CD2 3.97Å; Q1238-F1271 HydrophobicContact CB-CE2 3.67Å; Q1238-F1271 HydrophobicContact CB-CZ 4.07Å; Q1238-F1271 HydrophobicContact CG-CD1 3.95Å; Q1238-F1271 HydrophobicContact CG-CD2 3.69Å; Q1238-F1271 HydrophobicContact CG-CE1 3.99Å; Q1238-F1271 HydrophobicContact CG-CE2 3.72Å; Q1238-F1271 HydrophobicContact CG-CG 3.82Å; Q1238-F1271 HydrophobicContact CG-CZ 3.88Å
1239	K	88.3	Confident	87	Confident	139 Å²	139	69.6 Å²	69.6	60%	0.604	37%	0.366	S	S	*	.	H	α-helix	trans	-70.4	-35.5	177.4	-77	170.5	-174.5	167.8	0	112.8	P1235 T1236 Y1237 Q1242 G1243	P1235-K1239 WeakPolarHBondContact O-CD 3.41Å; P1235-K1239 VanDerWaalsContact O-CG 3.24Å; P1235-K1239 WeakPolarHBondContact O-CG 3.39Å; P1235-K1239 PolarHBondContact O-N 2.96Å; T1236-K1239 WeakPolarHBondContact O-CA 3.38Å; T1236-K1239 WeakPolarHBondContact O-CB 3.4Å; T1236-K1239 PolarHBondContact O-N 2.78Å; Y1237-K1239 PolarHBondContact O-N 3.28Å; K1239-Q1242 PolarHBondContact O-N 3.28Å; K1239-G1243 PolarHBondContact O-N 2.9Å
1240	D	86.8	Confident	87	Confident	105 Å²	105	76.6 Å²	76.6	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-67.6	-40.3	177.3	-70	-26	0	0	0	110.8	T1236 Y1237 G1243 A1244	T1236-D1240 PolarHBondContact O-N 3.1Å; Y1237-D1240 PolarHBondContact O-N 3.18Å; D1240-G1243 PolarHBondContact O-N 3.4Å; D1240-A1244 WeakPolarHBondContact O-CB 3.49Å; D1240-A1244 PolarHBondContact O-N 2.96Å
1241	I	87.1	Confident	86.9	Confident	51 Å²	51	79.3 Å²	79.3	26%	0.262	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-49.1	169.5	-71.4	170.8	0	0	0	110.9	Y1237 G1243 A1244 I1245 F1271	Y1237-I1241 HydrophobicContact CD1-CD1 3.79Å; Y1237-I1241 HydrophobicContact CE1-CD1 3.42Å; Y1237-I1241 VanDerWaalsContact CE1-CD1 3.42Å; Y1237-I1241 HydrophobicContact CE1-CG1 4.48Å; Y1237-I1241 WeakPolarHBondContact O-CG1 3.43Å; Y1237-I1241 PolarHBondContact O-N 3.21Å; I1241-G1243 VanDerWaalsContact C-N 3.28Å; I1241-G1243 PolarHBondContact O-N 2.87Å; I1241-A1244 PolarHBondContact O-N 3.38Å; I1241-I1245 HydrophobicContact CG2-CD1 3.77Å; I1241-I1245 HydrophobicContact CG2-CG1 4.43Å; I1241-I1245 VanDerWaalsContact O-CG1 3.29Å; I1241-I1245 WeakPolarHBondContact O-CG1 3.31Å; I1241-I1245 PolarHBondContact O-N 3.34Å; I1241-F1271 HydrophobicContact CB-CZ 4.08Å; I1241-F1271 HydrophobicContact CD1-CE1 4.24Å; I1241-F1271 HydrophobicContact CD1-CZ 3.85Å; I1241-F1271 HydrophobicContact CG2-CE2 4.48Å; I1241-F1271 HydrophobicContact CG2-CZ 3.96Å
1242	Q	89.2	Confident	86.8	Confident	46 Å²	46	79.6 Å²	79.6	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-57.3	-41	177.2	-167.7	179.3	2.4	0	0	111.8	Q1238 K1239 K1246 I1263 D1264 T1267	Q1238-Q1242 WeakPolarHBondContact O-CB 3.34Å; Q1238-Q1242 PolarHBondContact O-N 3.32Å; K1239-Q1242 PolarHBondContact O-N 3.28Å; Q1242-K1246 WeakPolarHBondContact O-CB 3.24Å; Q1242-K1246 WeakPolarHBondContact O-CG 3.34Å; Q1242-K1246 PolarHBondContact O-N 3.3Å; Q1242-I1263 HydrophobicContact CG-CG2 3.93Å; Q1242-D1264 PolarHBondContact NE2-OD1 3.26Å; Q1242-T1267 HydrophobicContact CB-CG2 4.07Å; Q1242-T1267 HydrophobicContact CG-CG2 4.15Å
1243	G	87.2	Confident	86.7	Confident	32 Å²	32	83.6 Å²	83.6	33%	0.33	43%	0.428	S	S	.	.	H	α-helix	trans	-67.5	-41.6	176.1	0	0	0	0	0	113.2	K1239 D1240 I1241 K1246 N1247	K1239-G1243 PolarHBondContact O-N 2.9Å; D1240-G1243 PolarHBondContact O-N 3.4Å; I1241-G1243 VanDerWaalsContact C-N 3.28Å; I1241-G1243 PolarHBondContact O-N 2.87Å; G1243-K1246 PolarHBondContact O-N 3.32Å; G1243-N1247 PolarHBondContact O-N 2.96Å; G1243-N1247 VanDerWaalsContact O-N 3.14Å; G1243-N1247 PolarHBondContact O-ND2 2.94Å
1244	A	85.2	Confident	86.5	Confident	58 Å²	58	85.4 Å²	85.4	48%	0.479	44%	0.443	S	S	.	.	H	α-helix	trans	-61.9	-45.5	174.7	0	0	0	0	0	111.6	D1240 I1241 N1247	D1240-A1244 WeakPolarHBondContact O-CB 3.49Å; D1240-A1244 PolarHBondContact O-N 2.96Å; I1241-A1244 PolarHBondContact O-N 3.38Å; A1244-N1247 WeakPolarHBondContact O-CB 3.35Å; A1244-N1247 PolarHBondContact O-N 3.49Å
1245	I	86.4	Confident	86.6	Confident	66 Å²	66	85.9 Å²	85.9	34%	0.338	45%	0.445	S	S	.	.	H	α-helix	trans	-66.2	-39.1	176.5	-55.4	165	0	0	0	110.2	I1241 N1247 L1248 I1263	I1241-I1245 HydrophobicContact CG2-CD1 3.77Å; I1241-I1245 HydrophobicContact CG2-CG1 4.43Å; I1241-I1245 VanDerWaalsContact O-CG1 3.29Å; I1241-I1245 WeakPolarHBondContact O-CG1 3.31Å; I1241-I1245 PolarHBondContact O-N 3.34Å; I1245-N1247 PolarHBondContact O-N 3.21Å; I1245-L1248 HydrophobicContact CG2-CD1 4.36Å; I1245-L1248 VanDerWaalsContact O-CB 3.25Å; I1245-L1248 WeakPolarHBondContact O-CB 3.16Å; I1245-L1248 PolarHBondContact O-N 2.93Å; I1245-I1263 HydrophobicContact CB-CD1 4.24Å; I1245-I1263 HydrophobicContact CB-CG2 4.47Å; I1245-I1263 HydrophobicContact CG2-CD1 3.6Å; I1245-I1263 HydrophobicContact CG2-CG1 3.84Å; I1245-I1263 HydrophobicContact CG2-CG2 4.44Å
1246	K	88.9	Confident	86.6	Confident	55 Å²	55	87.2 Å²	87.2	24%	0.239	44%	0.44	C	S	.	.	H	α-helix	trans	-61	-25.5	174.9	-83.4	-173.4	173.5	-175.7	0	114.3	Q1242 G1243 L1248 C1249 E1260 I1263 D1264	Q1242-K1246 WeakPolarHBondContact O-CB 3.24Å; Q1242-K1246 WeakPolarHBondContact O-CG 3.34Å; Q1242-K1246 PolarHBondContact O-N 3.3Å; G1243-K1246 PolarHBondContact O-N 3.32Å; K1246-L1248 PolarHBondContact O-N 2.87Å; K1246-C1249 WeakPolarHBondContact O-CB 3.34Å; K1246-C1249 PolarHBondContact O-N 3.03Å; K1246-E1260 HydrophobicContact CG-CG 4.38Å; K1246-I1263 HydrophobicContact CB-CD1 4.46Å; K1246-I1263 HydrophobicContact CG-CB 4.41Å; K1246-I1263 HydrophobicContact CG-CD1 3.89Å; K1246-I1263 HydrophobicContact CG-CG2 4.08Å; K1246-D1264 VanDerWaalsContact CE-CG 3.48Å; K1246-D1264 WeakPolarHBondContact CE-OD1 3.5Å; K1246-D1264 WeakPolarHBondContact CE-OD2 3.33Å; K1246-D1264 IonicContact NZ-OD1 3.35Å; K1246-D1264 PolarHBondContact NZ-OD1 3.23Å; K1246-D1264 IonicContact NZ-OD2 2.69Å; K1246-D1264 PolarHBondContact NZ-OD2 3.11Å
1247	N	84.4	Confident	86.6	Confident	75 Å²	75	86.8 Å²	86.8	40%	0.401	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-27.6	172.9	-71.1	-42.1	0	0	0	112.3	G1243 A1244 I1245 C1249 R1250	G1243-N1247 PolarHBondContact O-N 2.96Å; G1243-N1247 VanDerWaalsContact O-N 3.14Å; G1243-N1247 PolarHBondContact O-ND2 2.94Å; A1244-N1247 WeakPolarHBondContact O-CB 3.35Å; A1244-N1247 PolarHBondContact O-N 3.49Å; I1245-N1247 PolarHBondContact O-N 3.21Å; N1247-C1249 VanDerWaalsContact C-N 3.32Å; N1247-C1249 PolarHBondContact O-N 3.48Å; N1247-R1250 WeakPolarHBondContact O-CB 3.08Å; N1247-R1250 PolarHBondContact O-N 3.1Å; N1247-R1250 VanDerWaalsContact O-N 3.17Å; N1247-R1250 PolarHBondContact OD1-NE 3.39Å; N1247-R1250 PolarHBondContact OD1-NH1 3.06Å; N1247-R1250 PolarHBondContact OD1-NH2 2.76Å
1248	L	84.7	Confident	86.6	Confident	111 Å²	111	88.3 Å²	88.3	58%	0.581	45%	0.451	S	S	*	.	H	α-helix	trans	-64.9	-34.3	173.9	-60.8	168	0	0	0	111.9	I1245 K1246 R1250 M1251	I1245-L1248 HydrophobicContact CG2-CD1 4.36Å; I1245-L1248 VanDerWaalsContact O-CB 3.25Å; I1245-L1248 WeakPolarHBondContact O-CB 3.16Å; I1245-L1248 PolarHBondContact O-N 2.93Å; K1246-L1248 PolarHBondContact O-N 2.87Å; L1248-R1250 PolarHBondContact O-N 3.32Å; L1248-R1250 VanDerWaalsContact O-N 3.17Å; L1248-M1251 VanDerWaalsContact O-CB 3.24Å; L1248-M1251 WeakPolarHBondContact O-CB 3.05Å; L1248-M1251 PolarHBondContact O-N 3.16Å
1249	C	90.7	Very high	86.7	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-63.4	-21.8	175.7	-58.1	0	0	0	0	113.4	K1246 N1247 M1251 I1252 R1256 C1259 E1260 I1263	K1246-C1249 WeakPolarHBondContact O-CB 3.34Å; K1246-C1249 PolarHBondContact O-N 3.03Å; N1247-C1249 VanDerWaalsContact C-N 3.32Å; N1247-C1249 PolarHBondContact O-N 3.48Å; C1249-M1251 VanDerWaalsContact C-N 3.27Å; C1249-M1251 PolarHBondContact O-N 2.68Å; C1249-I1252 PolarHBondContact O-N 3.36Å; C1249-R1256 HydrophobicContact CB-CG 4.27Å; C1249-R1256 WeakPolarHBondContact O-CG 3.5Å; C1249-C1259 WeakPolarHBondContact CA-SG 3.45Å; C1249-C1259 HydrophobicContact CB-CB 3.68Å; C1249-C1259 WeakPolarHBondContact CB-SG 3.37Å; C1249-C1259 WeakPolarHBondContact SG-CB 3.39Å; C1249-C1259 CovalentContact SG-SG 2.04Å; C1249-C1259 PolarHBondContact SG-SG 3.4Å; C1249-E1260 HydrophobicContact CB-CG 3.76Å; C1249-E1260 PolarHBondContact SG-N 3.21Å; C1249-I1263 WeakPolarHBondContact SG-CD1 3.15Å
1250	R	85.8	Confident	86.8	Confident	153 Å²	153	82.9 Å²	82.9	58%	0.577	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-23.3	173.9	-55.1	178.8	-178.1	174.1	3.4	112.3	N1247 L1248 I1252	N1247-R1250 WeakPolarHBondContact O-CB 3.08Å; N1247-R1250 PolarHBondContact O-N 3.1Å; N1247-R1250 VanDerWaalsContact O-N 3.17Å; N1247-R1250 PolarHBondContact OD1-NE 3.39Å; N1247-R1250 PolarHBondContact OD1-NH1 3.06Å; N1247-R1250 PolarHBondContact OD1-NH2 2.76Å; L1248-R1250 PolarHBondContact O-N 3.32Å; L1248-R1250 VanDerWaalsContact O-N 3.17Å; R1250-I1252 VanDerWaalsContact C-N 3.28Å; R1250-I1252 PolarHBondContact O-N 3.04Å
1251	M	82.8	Confident	86.9	Confident	153 Å²	153	82.8 Å²	82.8	75%	0.754	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.2	175.8	-58	-82.1	-78.7	0	0	112.7	L1248 C1249 P1253	L1248-M1251 VanDerWaalsContact O-CB 3.24Å; L1248-M1251 WeakPolarHBondContact O-CB 3.05Å; L1248-M1251 PolarHBondContact O-N 3.16Å; C1249-M1251 VanDerWaalsContact C-N 3.27Å; C1249-M1251 PolarHBondContact O-N 2.68Å; M1251-P1253 WeakPolarHBondContact O-CD 3.47Å
1252	I	84.3	Confident	87	Confident	88 Å²	88	82.1 Å²	82.1	45%	0.451	43%	0.432	S	S	.	.			trans	-125.5	73.8	-177.3	-39.1	179.5	0	0	0	110.5	C1249 R1250 Q1254 I1255 R1256	C1249-I1252 PolarHBondContact O-N 3.36Å; R1250-I1252 VanDerWaalsContact C-N 3.28Å; R1250-I1252 PolarHBondContact O-N 3.04Å; I1252-Q1254 PolarHBondContact O-N 2.92Å; I1252-I1255 HydrophobicContact CB-CG1 4.15Å; I1252-I1255 HydrophobicContact CG2-CD1 4.09Å; I1252-I1255 HydrophobicContact CG2-CG1 3.65Å; I1252-I1255 PolarHBondContact O-N 2.84Å; I1252-R1256 PolarHBondContact O-N 3Å
1253	P	82.9	Confident	87	Confident	99 Å²	99	80.8 Å²	80.8	64%	0.643	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-57.1	-27.3	-171.1	-27.4	35.7	0	0	0	115.3	M1251 I1255	M1251-P1253 WeakPolarHBondContact O-CD 3.47Å; P1253-I1255 PolarHBondContact O-N 3.4Å
1254	Q	84.4	Confident	87.1	Confident	191 Å²	191	82.3 Å²	82.3	89%	0.893	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-72.7	-24.2	-173.5	-57.1	-169.1	37.9	0	0	114	I1252	I1252-Q1254 PolarHBondContact O-N 2.92Å
1255	I	88.3	Confident	87.2	Confident	73 Å²	73	83.5 Å²	83.5	37%	0.374	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-124.6	20.2	179.2	60.6	165.8	0	0	0	111.7	I1252 P1253 S1257 E1258 C1259	I1252-I1255 HydrophobicContact CB-CG1 4.15Å; I1252-I1255 HydrophobicContact CG2-CD1 4.09Å; I1252-I1255 HydrophobicContact CG2-CG1 3.65Å; I1252-I1255 PolarHBondContact O-N 2.84Å; P1253-I1255 PolarHBondContact O-N 3.4Å; I1255-S1257 VanDerWaalsContact C-N 3.33Å; I1255-S1257 PolarHBondContact O-N 3.48Å; I1255-E1258 HydrophobicContact CB-CB 4.45Å; I1255-E1258 WeakPolarHBondContact CG2-OE2 3.42Å; I1255-E1258 WeakPolarHBondContact O-CB 3.35Å; I1255-E1258 PolarHBondContact O-N 3.3Å; I1255-E1258 VanDerWaalsContact O-N 3.08Å; I1255-C1259 WeakPolarHBondContact O-CB 3.47Å; I1255-C1259 PolarHBondContact O-N 3.29Å
1256	R	87.9	Confident	87.3	Confident	105 Å²	105	87.5 Å²	87.5	40%	0.396	44%	0.444	S	S	.	.	H	α-helix	trans	-57.8	-42.3	-167.5	178.2	172	174.3	-148.7	-18.2	113.2	C1249 I1252 C1259 E1260	C1249-R1256 HydrophobicContact CB-CG 4.27Å; C1249-R1256 WeakPolarHBondContact O-CG 3.5Å; I1252-R1256 PolarHBondContact O-N 3Å; R1256-C1259 PolarHBondContact O-N 3.27Å; R1256-E1260 HydrophobicContact CG-CG 4.46Å; R1256-E1260 IonicContact CZ-OE1 2.61Å; R1256-E1260 IonicContact NE-OE1 3.19Å; R1256-E1260 PolarHBondContact NE-OE1 3.29Å; R1256-E1260 IonicContact NH2-OE1 2.59Å; R1256-E1260 PolarHBondContact NH2-OE1 3.19Å; R1256-E1260 IonicContact NH2-OE2 2.63Å; R1256-E1260 WeakPolarHBondContact O-CB 3.49Å; R1256-E1260 WeakPolarHBondContact O-CG 3.25Å; R1256-E1260 PolarHBondContact O-N 2.99Å
1257	S	86.8	Confident	87.1	Confident	77 Å²	77	85.4 Å²	85.4	54%	0.538	44%	0.435	S	S	.	.	H	α-helix	trans	-66.2	-40.9	176.6	42.9	0	0	0	0	112.7	I1255 C1259 E1260 N1261	I1255-S1257 VanDerWaalsContact C-N 3.33Å; I1255-S1257 PolarHBondContact O-N 3.48Å; S1257-C1259 VanDerWaalsContact C-N 3.34Å; S1257-E1260 PolarHBondContact O-N 3.17Å; S1257-N1261 VanDerWaalsContact O-CB 3.25Å; S1257-N1261 WeakPolarHBondContact O-CB 3.12Å; S1257-N1261 PolarHBondContact O-N 3.11Å; S1257-N1261 PolarHBondContact O-ND2 2.99Å; S1257-N1261 PolarHBondContact O-OD1 2.9Å
1258	E	86.8	Confident	87.2	Confident	129 Å²	129	84.9 Å²	84.9	60%	0.603	44%	0.436	S	S	*	.	H	α-helix	trans	-65.7	-40.6	177.6	-59.5	172	175.1	0	0	110.8	I1255 A1262	I1255-E1258 HydrophobicContact CB-CB 4.45Å; I1255-E1258 WeakPolarHBondContact CG2-OE2 3.42Å; I1255-E1258 WeakPolarHBondContact O-CB 3.35Å; I1255-E1258 PolarHBondContact O-N 3.3Å; I1255-E1258 VanDerWaalsContact O-N 3.08Å; E1258-A1262 VanDerWaalsContact O-CB 3.28Å; E1258-A1262 WeakPolarHBondContact O-CB 3.36Å; E1258-A1262 PolarHBondContact O-N 3.44Å
1259	C	91	Very high	87.1	Confident	29 Å²	29	81.4 Å²	81.4	20%	0.196	42%	0.424	C	S	.	.	H	α-helix	trans	-64.9	-48.9	174.4	-179.6	0	0	0	0	112.3	C1249 I1255 R1256 S1257 N1261 A1262 I1263	C1249-C1259 WeakPolarHBondContact CA-SG 3.45Å; C1249-C1259 HydrophobicContact CB-CB 3.68Å; C1249-C1259 WeakPolarHBondContact CB-SG 3.37Å; C1249-C1259 WeakPolarHBondContact SG-CB 3.39Å; C1249-C1259 CovalentContact SG-SG 2.04Å; C1249-C1259 PolarHBondContact SG-SG 3.4Å; I1255-C1259 WeakPolarHBondContact O-CB 3.47Å; I1255-C1259 PolarHBondContact O-N 3.29Å; R1256-C1259 PolarHBondContact O-N 3.27Å; S1257-C1259 VanDerWaalsContact C-N 3.34Å; C1259-N1261 PolarHBondContact O-N 3.41Å; C1259-A1262 PolarHBondContact O-N 3.02Å; C1259-I1263 WeakPolarHBondContact O-CG1 3.4Å; C1259-I1263 PolarHBondContact O-N 3.26Å
1260	E	91.4	Very high	86.8	Confident	45 Å²	45	86.4 Å²	86.4	21%	0.21	45%	0.449	C	S	.	.	H	α-helix	trans	-63.5	-40.9	178.2	-73.6	177	-178.8	0	0	111.3	K1246 C1249 R1256 S1257 I1263 D1264	K1246-E1260 HydrophobicContact CG-CG 4.38Å; C1249-E1260 HydrophobicContact CB-CG 3.76Å; C1249-E1260 PolarHBondContact SG-N 3.21Å; R1256-E1260 HydrophobicContact CG-CG 4.46Å; R1256-E1260 IonicContact CZ-OE1 2.61Å; R1256-E1260 IonicContact NE-OE1 3.19Å; R1256-E1260 PolarHBondContact NE-OE1 3.29Å; R1256-E1260 IonicContact NH2-OE1 2.59Å; R1256-E1260 PolarHBondContact NH2-OE1 3.19Å; R1256-E1260 IonicContact NH2-OE2 2.63Å; R1256-E1260 WeakPolarHBondContact O-CB 3.49Å; R1256-E1260 WeakPolarHBondContact O-CG 3.25Å; R1256-E1260 PolarHBondContact O-N 2.99Å; S1257-E1260 PolarHBondContact O-N 3.17Å; E1260-I1263 PolarHBondContact O-N 2.94Å; E1260-D1264 PolarHBondContact O-N 2.8Å; E1260-D1264 VanDerWaalsContact O-N 3.09Å
1261	N	89.8	Confident	86.9	Confident	102 Å²	102	79.8 Å²	79.8	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-39.6	174.3	-71.9	-11.4	0	0	0	113	S1257 C1259 D1264 S1265	S1257-N1261 VanDerWaalsContact O-CB 3.25Å; S1257-N1261 WeakPolarHBondContact O-CB 3.12Å; S1257-N1261 PolarHBondContact O-N 3.11Å; S1257-N1261 PolarHBondContact O-ND2 2.99Å; S1257-N1261 PolarHBondContact O-OD1 2.9Å; C1259-N1261 PolarHBondContact O-N 3.41Å; N1261-D1264 PolarHBondContact O-N 3.19Å; N1261-S1265 WeakPolarHBondContact O-CB 3.12Å; N1261-S1265 PolarHBondContact O-N 3.17Å; N1261-S1265 PolarHBondContact O-OG 3.34Å
1262	A	87.3	Confident	87	Confident	38 Å²	38	78.7 Å²	78.7	31%	0.314	42%	0.418	S	S	.	.	H	α-helix	trans	-64.8	-43.3	177.7	0	0	0	0	0	111.2	E1258 C1259 D1264 S1265 Y1266	E1258-A1262 VanDerWaalsContact O-CB 3.28Å; E1258-A1262 WeakPolarHBondContact O-CB 3.36Å; E1258-A1262 PolarHBondContact O-N 3.44Å; C1259-A1262 PolarHBondContact O-N 3.02Å; A1262-D1264 VanDerWaalsContact C-N 3.34Å; A1262-D1264 PolarHBondContact O-N 3.14Å; A1262-S1265 PolarHBondContact O-N 3.23Å; A1262-Y1266 HydrophobicContact CB-CD2 4.27Å; A1262-Y1266 HydrophobicContact CB-CE2 4.28Å; A1262-Y1266 WeakPolarHBondContact O-CD2 3.49Å; A1262-Y1266 PolarHBondContact O-N 3.01Å
1263	I	90.3	Very high	86.9	Confident	18 Å²	18	80 Å²	80	9%	0.092	43%	0.425	C	S	.	.	H	α-helix	trans	-60.2	-45.5	174.8	-65.4	165.2	0	0	0	110.5	Q1242 I1245 K1246 C1249 C1259 E1260 S1265 Y1266 T1267	Q1242-I1263 HydrophobicContact CG-CG2 3.93Å; I1245-I1263 HydrophobicContact CB-CD1 4.24Å; I1245-I1263 HydrophobicContact CB-CG2 4.47Å; I1245-I1263 HydrophobicContact CG2-CD1 3.6Å; I1245-I1263 HydrophobicContact CG2-CG1 3.84Å; I1245-I1263 HydrophobicContact CG2-CG2 4.44Å; K1246-I1263 HydrophobicContact CB-CD1 4.46Å; K1246-I1263 HydrophobicContact CG-CB 4.41Å; K1246-I1263 HydrophobicContact CG-CD1 3.89Å; K1246-I1263 HydrophobicContact CG-CG2 4.08Å; C1249-I1263 WeakPolarHBondContact SG-CD1 3.15Å; C1259-I1263 WeakPolarHBondContact O-CG1 3.4Å; C1259-I1263 PolarHBondContact O-N 3.26Å; E1260-I1263 PolarHBondContact O-N 2.94Å; I1263-S1265 PolarHBondContact O-N 3.49Å; I1263-Y1266 PolarHBondContact O-N 3.3Å; I1263-T1267 VanDerWaalsContact CG2-OG1 3.31Å; I1263-T1267 WeakPolarHBondContact CG2-OG1 3.43Å; I1263-T1267 WeakPolarHBondContact O-CB 3.26Å; I1263-T1267 PolarHBondContact O-N 3.04Å; I1263-T1267 PolarHBondContact O-OG1 3.22Å
1264	D	90	Very high	86.9	Confident	63 Å²	63	78 Å²	78	34%	0.337	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-27.6	178.7	-72.8	-17.8	0	0	0	113.4	Q1242 K1246 E1260 N1261 A1262 P1268	Q1242-D1264 PolarHBondContact NE2-OD1 3.26Å; K1246-D1264 VanDerWaalsContact CE-CG 3.48Å; K1246-D1264 WeakPolarHBondContact CE-OD1 3.5Å; K1246-D1264 WeakPolarHBondContact CE-OD2 3.33Å; K1246-D1264 IonicContact NZ-OD1 3.35Å; K1246-D1264 PolarHBondContact NZ-OD1 3.23Å; K1246-D1264 IonicContact NZ-OD2 2.69Å; K1246-D1264 PolarHBondContact NZ-OD2 3.11Å; E1260-D1264 PolarHBondContact O-N 2.8Å; E1260-D1264 VanDerWaalsContact O-N 3.09Å; N1261-D1264 PolarHBondContact O-N 3.19Å; A1262-D1264 VanDerWaalsContact C-N 3.34Å; A1262-D1264 PolarHBondContact O-N 3.14Å; D1264-P1268 WeakPolarHBondContact O-CD 3.41Å
1265	S	86.6	Confident	87	Confident	83 Å²	83	70.2 Å²	70.2	58%	0.58	37%	0.374	S	S	*	.	H	α-helix	trans	-80.4	-41.9	177.1	-54.6	0	0	0	0	112.7	N1261 A1262 I1263	N1261-S1265 WeakPolarHBondContact O-CB 3.12Å; N1261-S1265 PolarHBondContact O-N 3.17Å; N1261-S1265 PolarHBondContact O-OG 3.34Å; A1262-S1265 PolarHBondContact O-N 3.23Å; I1263-S1265 PolarHBondContact O-N 3.49Å
1266	Y	87.9	Confident	86.8	Confident	151 Å²	151	72.7 Å²	72.7	59%	0.592	39%	0.388	S	S	*	.	H	α-helix	trans	-92.2	-30.1	-172.7	-66.5	-60.5	0	0	0	114.3	A1262 I1263 A1269 I1270	A1262-Y1266 HydrophobicContact CB-CD2 4.27Å; A1262-Y1266 HydrophobicContact CB-CE2 4.28Å; A1262-Y1266 WeakPolarHBondContact O-CD2 3.49Å; A1262-Y1266 PolarHBondContact O-N 3.01Å; I1263-Y1266 PolarHBondContact O-N 3.3Å; Y1266-A1269 PolarHBondContact O-N 3.28Å; Y1266-I1270 VanDerWaalsContact O-CG1 3.28Å; Y1266-I1270 WeakPolarHBondContact O-CG1 3.35Å; Y1266-I1270 PolarHBondContact O-N 2.61Å
1267	T	85.4	Confident	86.4	Confident	10 Å²	10	72.4 Å²	72.4	6%	0.061	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-44.6	-173.8	-54.3	0	0	0	0	113.4	Q1242 I1263 A1269 I1270 F1271	Q1242-T1267 HydrophobicContact CB-CG2 4.07Å; Q1242-T1267 HydrophobicContact CG-CG2 4.15Å; I1263-T1267 VanDerWaalsContact CG2-OG1 3.31Å; I1263-T1267 WeakPolarHBondContact CG2-OG1 3.43Å; I1263-T1267 WeakPolarHBondContact O-CB 3.26Å; I1263-T1267 PolarHBondContact O-N 3.04Å; I1263-T1267 PolarHBondContact O-OG1 3.22Å; T1267-A1269 PolarHBondContact O-N 3.48Å; T1267-I1270 PolarHBondContact O-N 3.07Å; T1267-F1271 HydrophobicContact CG2-CD2 3.79Å; T1267-F1271 HydrophobicContact CG2-CE2 3.5Å; T1267-F1271 VanDerWaalsContact CG2-CE2 3.5Å; T1267-F1271 VanDerWaalsContact O-CD2 3.29Å; T1267-F1271 WeakPolarHBondContact O-CD2 3.34Å; T1267-F1271 PolarHBondContact O-N 3.26Å; T1267-F1271 VanDerWaalsContact O-N 3.15Å
1268	P	85.3	Confident	86.2	Confident	65 Å²	65	68.8 Å²	68.8	42%	0.422	36%	0.362	S	S	.	.	H	α-helix	trans	-60.5	-47	176.7	-22.6	34.6	0	0	0	112.2	D1264 I1270 F1271 E1272	D1264-P1268 WeakPolarHBondContact O-CD 3.41Å; P1268-I1270 VanDerWaalsContact C-N 3.31Å; P1268-I1270 PolarHBondContact O-N 2.72Å; P1268-F1271 PolarHBondContact O-N 3.06Å; P1268-F1271 VanDerWaalsContact O-N 3.13Å; P1268-E1272 PolarHBondContact O-N 3.22Å
1269	A	83.7	Confident	85.9	Confident	38 Å²	38	65 Å²	65	31%	0.314	35%	0.353	S	S	.	.	H	α-helix	trans	-64	-33.9	179.5	0	0	0	0	0	112.7	Y1266 T1267 N1273	Y1266-A1269 PolarHBondContact O-N 3.28Å; T1267-A1269 PolarHBondContact O-N 3.48Å; A1269-N1273 WeakPolarHBondContact O-CB 3.36Å; A1269-N1273 PolarHBondContact O-N 2.99Å; A1269-N1273 PolarHBondContact O-ND2 3.13Å
1270	I	83.5	Confident	85.2	Confident	105 Å²	105	68.7 Å²	68.7	54%	0.538	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-42.4	174.1	-71	164.3	0	0	0	110.6	Y1266 T1267 P1268 L1274	Y1266-I1270 VanDerWaalsContact O-CG1 3.28Å; Y1266-I1270 WeakPolarHBondContact O-CG1 3.35Å; Y1266-I1270 PolarHBondContact O-N 2.61Å; T1267-I1270 PolarHBondContact O-N 3.07Å; P1268-I1270 VanDerWaalsContact C-N 3.31Å; P1268-I1270 PolarHBondContact O-N 2.72Å; I1270-L1274 VanDerWaalsContact O-CB 3.24Å; I1270-L1274 WeakPolarHBondContact O-CB 3.27Å; I1270-L1274 PolarHBondContact O-N 3.39Å
1271	F	88.7	Confident	84.6	Confident	14 Å²	14	67.9 Å²	67.9	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-68.6	-40.9	176.6	-76.3	-61.7	0	0	0	112.7	L1232 Q1238 I1241 T1267 P1268 L1274 L1275	L1232-F1271 HydrophobicContact CD2-CD1 4.16Å; L1232-F1271 HydrophobicContact CD2-CE1 3.84Å; Q1238-F1271 HydrophobicContact CB-CD2 3.97Å; Q1238-F1271 HydrophobicContact CB-CE2 3.67Å; Q1238-F1271 HydrophobicContact CB-CZ 4.07Å; Q1238-F1271 HydrophobicContact CG-CD1 3.95Å; Q1238-F1271 HydrophobicContact CG-CD2 3.69Å; Q1238-F1271 HydrophobicContact CG-CE1 3.99Å; Q1238-F1271 HydrophobicContact CG-CE2 3.72Å; Q1238-F1271 HydrophobicContact CG-CG 3.82Å; Q1238-F1271 HydrophobicContact CG-CZ 3.88Å; I1241-F1271 HydrophobicContact CB-CZ 4.08Å; I1241-F1271 HydrophobicContact CD1-CE1 4.24Å; I1241-F1271 HydrophobicContact CD1-CZ 3.85Å; I1241-F1271 HydrophobicContact CG2-CE2 4.48Å; I1241-F1271 HydrophobicContact CG2-CZ 3.96Å; T1267-F1271 HydrophobicContact CG2-CD2 3.79Å; T1267-F1271 HydrophobicContact CG2-CE2 3.5Å; T1267-F1271 VanDerWaalsContact CG2-CE2 3.5Å; T1267-F1271 VanDerWaalsContact O-CD2 3.29Å; T1267-F1271 WeakPolarHBondContact O-CD2 3.34Å; T1267-F1271 PolarHBondContact O-N 3.26Å; T1267-F1271 VanDerWaalsContact O-N 3.15Å; P1268-F1271 PolarHBondContact O-N 3.06Å; P1268-F1271 VanDerWaalsContact O-N 3.13Å; F1271-L1274 PolarHBondContact O-N 3.05Å; F1271-L1275 WeakPolarHBondContact O-CB 3.44Å; F1271-L1275 VanDerWaalsContact O-CG 3.24Å; F1271-L1275 WeakPolarHBondContact O-CG 3.33Å; F1271-L1275 PolarHBondContact O-N 3.41Å
1272	E	85.5	Confident	83.9	Confident	130 Å²	130	65.8 Å²	65.8	61%	0.607	36%	0.36	S	S	*	.	H	α-helix	trans	-58.1	-55.4	173.1	-74.3	-176	133.3	0	0	111.6	P1268 L1274 L1275 D1276	P1268-E1272 PolarHBondContact O-N 3.22Å; E1272-L1274 PolarHBondContact O-N 3.46Å; E1272-L1275 PolarHBondContact O-N 3.4Å; E1272-L1275 VanDerWaalsContact O-N 3.12Å; E1272-D1276 PolarHBondContact O-N 2.67Å
1273	N	82.4	Confident	83.4	Confident	115 Å²	115	66.4 Å²	66.4	62%	0.615	36%	0.361	S	S	*	.	H	α-helix	trans	-60.7	-32.6	-178.7	-79.8	-90.1	0	0	0	112.8	A1269 Y1277	A1269-N1273 WeakPolarHBondContact O-CB 3.36Å; A1269-N1273 PolarHBondContact O-N 2.99Å; A1269-N1273 PolarHBondContact O-ND2 3.13Å; N1273-Y1277 WeakPolarHBondContact O-CB 3.47Å; N1273-Y1277 PolarHBondContact O-N 3.08Å
1274	L	81.5	Confident	82.9	Confident	56 Å²	56	67.6 Å²	67.6	29%	0.293	37%	0.366	S	S	.	.	H	α-helix	trans	-75.3	-39.3	176.9	-176.6	59.4	0	0	0	112	L1232 I1270 F1271 E1272 Y1277 L1278	L1232-L1274 HydrophobicContact CD1-CD2 3.58Å; L1232-L1274 HydrophobicContact CD1-CG 3.86Å; L1232-L1274 HydrophobicContact CD2-CD2 4Å; L1232-L1274 HydrophobicContact CG-CD2 4.45Å; I1270-L1274 VanDerWaalsContact O-CB 3.24Å; I1270-L1274 WeakPolarHBondContact O-CB 3.27Å; I1270-L1274 PolarHBondContact O-N 3.39Å; F1271-L1274 PolarHBondContact O-N 3.05Å; E1272-L1274 PolarHBondContact O-N 3.46Å; L1274-Y1277 PolarHBondContact O-N 3.14Å; L1274-L1278 HydrophobicContact CD1-CD1 4.17Å; L1274-L1278 HydrophobicContact CG-CD1 4.12Å; L1274-L1278 VanDerWaalsContact O-CG 3.3Å; L1274-L1278 WeakPolarHBondContact O-CG 3.19Å; L1274-L1278 PolarHBondContact O-N 2.93Å; L1274-L1278 VanDerWaalsContact O-N 3.12Å
1275	L	86.9	Confident	82.5	Confident	29 Å²	29	64.6 Å²	64.6	15%	0.152	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-40	175.4	-73.5	173.2	0	0	0	111.8	T1229 L1232 R1233 F1271 E1272 Y1277 L1278 A1279	T1229-L1275 HydrophobicContact CG2-CD2 4.18Å; L1232-L1275 HydrophobicContact CB-CD2 3.69Å; L1232-L1275 HydrophobicContact CB-CG 4.43Å; R1233-L1275 HydrophobicContact CG-CD1 4.01Å; R1233-L1275 HydrophobicContact CG-CD2 3.75Å; F1271-L1275 WeakPolarHBondContact O-CB 3.44Å; F1271-L1275 VanDerWaalsContact O-CG 3.24Å; F1271-L1275 WeakPolarHBondContact O-CG 3.33Å; F1271-L1275 PolarHBondContact O-N 3.41Å; E1272-L1275 PolarHBondContact O-N 3.4Å; E1272-L1275 VanDerWaalsContact O-N 3.12Å; L1275-Y1277 VanDerWaalsContact C-N 3.32Å; L1275-Y1277 PolarHBondContact O-N 3.41Å; L1275-L1278 PolarHBondContact O-N 3.18Å; L1275-A1279 WeakPolarHBondContact O-CB 3.46Å; L1275-A1279 PolarHBondContact O-N 3.27Å
1276	D	83.8	Confident	82	Confident	125 Å²	125	65.5 Å²	65.5	67%	0.668	34%	0.344	S	S	*	.	H	α-helix	trans	-62.2	-38.7	173.3	-79.5	-11.6	0	0	0	112	E1272 L1278	E1272-D1276 PolarHBondContact O-N 2.67Å; D1276-L1278 VanDerWaalsContact C-N 3.32Å; D1276-L1278 PolarHBondContact O-N 3.31Å
1277	Y	79	Confident	81	Confident	98 Å²	98	63.1 Å²	63.1	38%	0.384	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-30	177	-171.3	-105.9	0	0	0	113.2	N1273 L1274 L1275 F1284 K1287	N1273-Y1277 WeakPolarHBondContact O-CB 3.47Å; N1273-Y1277 PolarHBondContact O-N 3.08Å; L1274-Y1277 PolarHBondContact O-N 3.14Å; L1275-Y1277 VanDerWaalsContact C-N 3.32Å; L1275-Y1277 PolarHBondContact O-N 3.41Å; Y1277-F1284 AromaticContact CD1-CD2 3.88Å; Y1277-F1284 HydrophobicContact CD1-CD2 3.88Å; Y1277-F1284 HydrophobicContact CD1-CE2 4.19Å; Y1277-F1284 AromaticContact CE1-CD2 3.46Å; Y1277-F1284 HydrophobicContact CE1-CD2 3.46Å; Y1277-F1284 VanDerWaalsContact CE1-CD2 3.46Å; Y1277-F1284 AromaticContact CE1-CE2 3.76Å; Y1277-F1284 HydrophobicContact CE1-CE2 3.76Å; Y1277-K1287 HydrophobicContact CE2-CD 4.45Å; Y1277-K1287 VanDerWaalsContact OH-CD 3.3Å; Y1277-K1287 WeakPolarHBondContact OH-CD 3.3Å
1278	L	82.9	Confident	80.3	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-91	-20.8	179	-66.8	168.8	0	0	0	113.4	V1225 M1228 T1229 L1232 L1274 L1275 D1276 N1280 F1284	V1225-L1278 HydrophobicContact CG1-CB 4.13Å; V1225-L1278 HydrophobicContact CG1-CD2 4.03Å; V1225-L1278 VanDerWaalsContact CG1-O 3.24Å; V1225-L1278 WeakPolarHBondContact CG1-O 3.27Å; V1225-L1278 HydrophobicContact CG2-CD2 4.48Å; M1228-L1278 HydrophobicContact CE-CD1 4.21Å; M1228-L1278 HydrophobicContact CG-CD1 3.93Å; M1228-L1278 HydrophobicContact SD-CD1 4.04Å; M1228-L1278 HydrophobicContact SD-CD2 4.12Å; T1229-L1278 WeakPolarHBondContact OG1-CB 3.27Å; L1232-L1278 HydrophobicContact CD1-CD1 3.45Å; L1232-L1278 VanDerWaalsContact CD1-CD1 3.45Å; L1274-L1278 HydrophobicContact CD1-CD1 4.17Å; L1274-L1278 HydrophobicContact CG-CD1 4.12Å; L1274-L1278 VanDerWaalsContact O-CG 3.3Å; L1274-L1278 WeakPolarHBondContact O-CG 3.19Å; L1274-L1278 PolarHBondContact O-N 2.93Å; L1274-L1278 VanDerWaalsContact O-N 3.12Å; L1275-L1278 PolarHBondContact O-N 3.18Å; D1276-L1278 VanDerWaalsContact C-N 3.32Å; D1276-L1278 PolarHBondContact O-N 3.31Å; L1278-N1280 CarbonylContact O-C 3.47Å; L1278-N1280 PolarHBondContact O-N 3.48Å; L1278-F1284 HydrophobicContact CD2-CD2 3.64Å; L1278-F1284 HydrophobicContact CD2-CE2 3.57Å; L1278-F1284 HydrophobicContact CD2-CG 4.32Å; L1278-F1284 HydrophobicContact CD2-CZ 4.2Å
1279	A	80.6	Confident	79.4	Confident	50 Å²	50	63.2 Å²	63.2	41%	0.413	35%	0.345	S	S	.	.	S	Bend	trans	-57.5	-15.3	-177.1	0	0	0	0	0	115	L1275	L1275-A1279 WeakPolarHBondContact O-CB 3.46Å; L1275-A1279 PolarHBondContact O-N 3.27Å
1280	N	77.8	Confident	78.7	Confident	106 Å²	106	64.2 Å²	64.2	57%	0.567	34%	0.343	S	S	*	.			trans	-121.1	100	167.1	-80.3	-80.5	0	0	0	109.9	L1278 T1282 P1283	L1278-N1280 CarbonylContact O-C 3.47Å; L1278-N1280 PolarHBondContact O-N 3.48Å; N1280-T1282 VanDerWaalsContact C-N 3.32Å; N1280-T1282 PolarHBondContact O-N 3.34Å; N1280-P1283 HydrophobicContact CB-CG 3.56Å; N1280-P1283 VanDerWaalsContact O-CD 3.23Å; N1280-P1283 WeakPolarHBondContact O-CD 3.43Å; N1280-P1283 VanDerWaalsContact O-CG 3.31Å; N1280-P1283 WeakPolarHBondContact O-CG 3.48Å
1281	P	78.1	Confident	77.7	Confident	28 Å²	28	60 Å²	60	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-33.9	-178.3	23.7	-33.8	0	0	0	113	V1222 V1225 F1284 C1285	V1222-P1281 HydrophobicContact CB-CB 4.47Å; V1222-P1281 HydrophobicContact CG1-CB 4.2Å; V1222-P1281 HydrophobicContact CG1-CG 4.11Å; V1222-P1281 HydrophobicContact CG2-CB 4.33Å; V1225-P1281 HydrophobicContact CB-CB 3.84Å; V1225-P1281 HydrophobicContact CG1-CB 3.74Å; V1225-P1281 HydrophobicContact CG2-CB 4.35Å; P1281-F1284 WeakPolarHBondContact O-CB 3.43Å; P1281-F1284 PolarHBondContact O-N 3.49Å; P1281-C1285 WeakPolarHBondContact O-CB 3.44Å; P1281-C1285 PolarHBondContact O-N 3.42Å; P1281-C1285 PolarHBondContact O-SG 3.05Å
1282	T	74.3	Confident	75.9	Confident	59 Å²	59	65.7 Å²	65.7	36%	0.362	35%	0.348	S	S	.	.	H	α-helix	trans	-56.2	-56.3	-178.9	-53.8	0	0	0	0	114	N1280 F1284 C1285 Q1286	N1280-T1282 VanDerWaalsContact C-N 3.32Å; N1280-T1282 PolarHBondContact O-N 3.34Å; T1282-F1284 VanDerWaalsContact C-N 3.32Å; T1282-F1284 PolarHBondContact O-N 3.4Å; T1282-C1285 PolarHBondContact O-N 3.49Å; T1282-Q1286 WeakPolarHBondContact O-CB 3.42Å; T1282-Q1286 VanDerWaalsContact O-CG 3.24Å; T1282-Q1286 WeakPolarHBondContact O-CG 3.19Å; T1282-Q1286 PolarHBondContact O-N 3.36Å
1283	P	76.4	Confident	73.8	Confident	51 Å²	51	61.4 Å²	61.4	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-27.9	175.8	26.7	-36	0	0	0	113.5	N1280 K1287	N1280-P1283 HydrophobicContact CB-CG 3.56Å; N1280-P1283 VanDerWaalsContact O-CD 3.23Å; N1280-P1283 WeakPolarHBondContact O-CD 3.43Å; N1280-P1283 VanDerWaalsContact O-CG 3.31Å; N1280-P1283 WeakPolarHBondContact O-CG 3.48Å; P1283-K1287 VanDerWaalsContact O-CB 3.32Å; P1283-K1287 WeakPolarHBondContact O-CB 3.45Å; P1283-K1287 WeakPolarHBondContact O-CG 3.48Å; P1283-K1287 PolarHBondContact O-N 3.01Å
1284	F	79.6	Confident	71.6	Confident	43 Å²	43	62.2 Å²	62.2	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-55	170.9	-178.3	-83	0	0	0	110.3	V1225 Y1277 L1278 P1281 T1282 Q1286 K1287 V1288	V1225-F1284 HydrophobicContact CG2-CB 4.35Å; V1225-F1284 HydrophobicContact CG2-CD1 3.38Å; V1225-F1284 HydrophobicContact CG2-CE1 3.79Å; V1225-F1284 HydrophobicContact CG2-CG 3.93Å; Y1277-F1284 AromaticContact CD1-CD2 3.88Å; Y1277-F1284 HydrophobicContact CD1-CD2 3.88Å; Y1277-F1284 HydrophobicContact CD1-CE2 4.19Å; Y1277-F1284 AromaticContact CE1-CD2 3.46Å; Y1277-F1284 HydrophobicContact CE1-CD2 3.46Å; Y1277-F1284 VanDerWaalsContact CE1-CD2 3.46Å; Y1277-F1284 AromaticContact CE1-CE2 3.76Å; Y1277-F1284 HydrophobicContact CE1-CE2 3.76Å; L1278-F1284 HydrophobicContact CD2-CD2 3.64Å; L1278-F1284 HydrophobicContact CD2-CE2 3.57Å; L1278-F1284 HydrophobicContact CD2-CG 4.32Å; L1278-F1284 HydrophobicContact CD2-CZ 4.2Å; P1281-F1284 WeakPolarHBondContact O-CB 3.43Å; P1281-F1284 PolarHBondContact O-N 3.49Å; T1282-F1284 VanDerWaalsContact C-N 3.32Å; T1282-F1284 PolarHBondContact O-N 3.4Å; F1284-Q1286 VanDerWaalsContact C-N 3.3Å; F1284-Q1286 PolarHBondContact O-N 2.99Å; F1284-K1287 CarbonylContact O-C 3.6Å; F1284-K1287 WeakPolarHBondContact O-CA 3.38Å; F1284-K1287 WeakPolarHBondContact O-CB 3.28Å; F1284-K1287 PolarHBondContact O-N 3.41Å; F1284-V1288 HydrophobicContact CD1-CG1 4.35Å; F1284-V1288 HydrophobicContact CD1-CG2 4.15Å; F1284-V1288 HydrophobicContact CE1-CG1 3.89Å; F1284-V1288 HydrophobicContact CE1-CG2 4.02Å; F1284-V1288 HydrophobicContact CZ-CG1 4.07Å; F1284-V1288 WeakPolarHBondContact O-CG2 3.3Å; F1284-V1288 PolarHBondContact O-N 3.12Å
1285	C	81.7	Confident	69.2	Low	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-29.1	-177.6	-66.5	0	0	0	0	113.5	C1221 P1281 T1282 G1289 M1290 C1291	C1221-C1285 HydrophobicContact CB-CB 3.79Å; C1221-C1285 WeakPolarHBondContact CB-SG 3.39Å; C1221-C1285 WeakPolarHBondContact SG-CA 3.44Å; C1221-C1285 WeakPolarHBondContact SG-CB 3.43Å; C1221-C1285 CovalentContact SG-SG 2.03Å; C1221-C1285 PolarHBondContact SG-SG 2.05Å; P1281-C1285 WeakPolarHBondContact O-CB 3.44Å; P1281-C1285 PolarHBondContact O-N 3.42Å; P1281-C1285 PolarHBondContact O-SG 3.05Å; T1282-C1285 PolarHBondContact O-N 3.49Å; C1285-G1289 PolarHBondContact O-N 3.43Å; C1285-M1290 PolarHBondContact O-N 2.92Å; C1285-C1291 WeakPolarHBondContact CB-SG 3.15Å; C1285-C1291 PolarHBondContact O-N 3.18Å
1286	Q	76.1	Confident	66.6	Low	101 Å²	101	69 Å²	69	47%	0.472	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-47.2	165.8	-72.2	170	-4	0	0	111.9	T1282 F1284 V1288 G1289 C1291	T1282-Q1286 WeakPolarHBondContact O-CB 3.42Å; T1282-Q1286 VanDerWaalsContact O-CG 3.24Å; T1282-Q1286 WeakPolarHBondContact O-CG 3.19Å; T1282-Q1286 PolarHBondContact O-N 3.36Å; F1284-Q1286 VanDerWaalsContact C-N 3.3Å; F1284-Q1286 PolarHBondContact O-N 2.99Å; Q1286-V1288 PolarHBondContact O-N 3.5Å; Q1286-G1289 PolarHBondContact O-N 3.35Å; Q1286-G1289 VanDerWaalsContact O-N 3.08Å; Q1286-C1291 HydrophobicContact CG-CB 3.76Å
1287	K	68.5	Low	64.1	Low	102 Å²	102	67.3 Å²	67.3	44%	0.443	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-33	179.1	-76.9	173.5	-177.1	177	0	113.6	I1204 Y1277 P1283 F1284 G1289	I1204-K1287 VanDerWaalsContact CD1-O 3.28Å; I1204-K1287 WeakPolarHBondContact CD1-O 3.45Å; Y1277-K1287 HydrophobicContact CE2-CD 4.45Å; Y1277-K1287 VanDerWaalsContact OH-CD 3.3Å; Y1277-K1287 WeakPolarHBondContact OH-CD 3.3Å; P1283-K1287 VanDerWaalsContact O-CB 3.32Å; P1283-K1287 WeakPolarHBondContact O-CB 3.45Å; P1283-K1287 WeakPolarHBondContact O-CG 3.48Å; P1283-K1287 PolarHBondContact O-N 3.01Å; F1284-K1287 CarbonylContact O-C 3.6Å; F1284-K1287 WeakPolarHBondContact O-CA 3.38Å; F1284-K1287 WeakPolarHBondContact O-CB 3.28Å; F1284-K1287 PolarHBondContact O-N 3.41Å; K1287-G1289 VanDerWaalsContact C-N 3.28Å
1288	V	69.8	Low	61.7	Low	36 Å²	36	72.1 Å²	72.1	22%	0.218	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	5.1	173.1	-58.8	0	0	0	0	114	F1284 Q1286 M1290	F1284-V1288 HydrophobicContact CD1-CG1 4.35Å; F1284-V1288 HydrophobicContact CD1-CG2 4.15Å; F1284-V1288 HydrophobicContact CE1-CG1 3.89Å; F1284-V1288 HydrophobicContact CE1-CG2 4.02Å; F1284-V1288 HydrophobicContact CZ-CG1 4.07Å; F1284-V1288 WeakPolarHBondContact O-CG2 3.3Å; F1284-V1288 PolarHBondContact O-N 3.12Å; Q1286-V1288 PolarHBondContact O-N 3.5Å; V1288-M1290 VanDerWaalsContact C-N 3.28Å; V1288-M1290 HydrophobicContact CG2-CB 4.19Å; V1288-M1290 HydrophobicContact CG2-CG 3.96Å; V1288-M1290 HydrophobicContact CG2-SD 4.12Å; V1288-M1290 PolarHBondContact O-N 3.03Å
1289	G	67	Low	59.5	Low	41 Å²	41	77.3 Å²	77.3	42%	0.423	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	11.5	175	0	0	0	0	0	115.4	C1285 Q1286 K1287 C1291	C1285-G1289 PolarHBondContact O-N 3.43Å; Q1286-G1289 PolarHBondContact O-N 3.35Å; Q1286-G1289 VanDerWaalsContact O-N 3.08Å; K1287-G1289 VanDerWaalsContact C-N 3.28Å; G1289-C1291 VanDerWaalsContact C-N 3.33Å
1290	M	67.7	Low	57.2	Low	58 Å²	58	78 Å²	78	29%	0.286	45%	0.452	S	S	.	.			trans	-85.5	-4.2	178.7	-70.3	-173.7	109.2	0	0	113.3	I1217 C1221 M1224 C1285 V1288	I1217-M1290 CarbonylContact C-O 3.57Å; I1217-M1290 HydrophobicContact CG2-CB 3.83Å; I1217-M1290 HydrophobicContact CG2-CE 3.86Å; I1217-M1290 HydrophobicContact CG2-CG 3.97Å; C1221-M1290 HydrophobicContact CB-CB 3.78Å; C1221-M1290 HydrophobicContact CB-CG 4.39Å; C1221-M1290 HydrophobicContact CB-SD 3.76Å; M1224-M1290 HydrophobicContact CE-CE 4.28Å; M1224-M1290 HydrophobicContact CE-SD 4.32Å; C1285-M1290 PolarHBondContact O-N 2.92Å; V1288-M1290 VanDerWaalsContact C-N 3.28Å; V1288-M1290 HydrophobicContact CG2-CB 4.19Å; V1288-M1290 HydrophobicContact CG2-CG 3.96Å; V1288-M1290 HydrophobicContact CG2-SD 4.12Å; V1288-M1290 PolarHBondContact O-N 3.03Å
1291	C	63.3	Low	55	Low	17 Å²	17	80.3 Å²	80.3	12%	0.115	46%	0.46	C	S	.	.	S	Bend	trans	-121.9	148.5	177.1	-67.3	0	0	0	0	112.3	C1285 Q1286 G1289 G1293	C1285-C1291 WeakPolarHBondContact CB-SG 3.15Å; C1285-C1291 PolarHBondContact O-N 3.18Å; Q1286-C1291 HydrophobicContact CG-CB 3.76Å; G1289-C1291 VanDerWaalsContact C-N 3.33Å; C1291-G1293 PolarHBondContact O-N 3.22Å
1292	K	50.3	Low	53.2	Low	134 Å²	134	83.4 Å²	83.4	58%	0.583	48%	0.479	S	S	*	.			trans	-74.8	40.2	-174	-151.1	171.1	-170.8	174.9	0	113.9	V1214 D1215	V1214-K1292 HydrophobicContact CB-CD 3.99Å; V1214-K1292 HydrophobicContact CB-CG 4.24Å; V1214-K1292 HydrophobicContact CG1-CB 4.21Å; V1214-K1292 HydrophobicContact CG1-CD 4.15Å; V1214-K1292 HydrophobicContact CG1-CG 3.85Å; D1215-K1292 WeakPolarHBondContact OD1-CD 3.5Å; D1215-K1292 IonicContact OD1-NZ 3.17Å; D1215-K1292 PolarHBondContact OD1-NZ 3.08Å; D1215-K1292 IonicContact OD2-NZ 2.87Å; D1215-K1292 PolarHBondContact OD2-NZ 3.38Å
1293	G	42.5	Very low	51.6	Low	40 Å²	40	85.5 Å²	85.5	41%	0.412	49%	0.488	S	S	.	.			trans	-80.1	125.2	176.6	0	0	0	0	0	111.5	C1291 I1295	C1291-G1293 PolarHBondContact O-N 3.22Å; G1293-I1295 PolarHBondContact O-N 3.49Å
1294	V	36.4	Very low	49.7	Very low	132 Å²	132	89 Å²	89	80%	0.8	50%	0.503	S	S	*	.			trans	-28.9	108.7	-177.7	-176.9	0	0	0	0	114.7	A1296	V1294-A1296 VanDerWaalsContact C-N 3.32Å; V1294-A1296 HydrophobicContact CG1-CB 3.66Å; V1294-A1296 PolarHBondContact O-N 3.01Å
1295	I	30.5	Very low	47.5	Very low	154 Å²	154	92.9 Å²	92.9	79%	0.79	53%	0.525	S	S	*	.			trans	-76.6	85.3	167.7	-58.5	170.8	0	0	0	108.3	G1293	G1293-I1295 PolarHBondContact O-N 3.49Å
1296	A	31.5	Very low	45.2	Very low	72 Å²	72	98.6 Å²	98.6	60%	0.595	56%	0.562	S	S	*	*			trans	-142.3	134.8	173.2	0	0	0	0	0	111.9	V1294	V1294-A1296 VanDerWaalsContact C-N 3.32Å; V1294-A1296 HydrophobicContact CG1-CB 3.66Å; V1294-A1296 PolarHBondContact O-N 3.01Å
1297	A	31.6	Very low	43	Very low	91 Å²	91	98 Å²	98	75%	0.752	58%	0.575	S	S	*	*	S	Bend	trans	35.7	103.3	160.6	0	0	0	0	0	119.8	V1299	A1297-V1299 PolarHBondContact O-N 2.9Å
1298	F	30	Very low	41.2	Very low	198 Å²	198	102.7 Å²	102.7	87%	0.868	60%	0.595	S	S	*	*				53.9	63	123	-144.9	-81	0	0	0	117.6	P1300	F1298-P1300 WeakPolarHBondContact O-CD 3.44Å
1299	V	35.3	Very low	39.2	Very low	110 Å²	110	104.5 Å²	104.5	67%	0.667	62%	0.621	S	S	*	*			trans	-78.1	123.5	164.4	-178.1	0	0	0	0	109.7	A1297 D1303	A1297-V1299 PolarHBondContact O-N 2.9Å; V1299-D1303 HydrophobicContact CG1-CB 4.04Å
1300	P	33.9	Very low	37.4	Very low	66 Å²	66	114 Å²	114	43%	0.429	65%	0.646	S	S	.	*			trans	-69.1	159.2	175.5	-17.7	32.6	0	0	0	112.7	F1298 T1302 D1303	F1298-P1300 WeakPolarHBondContact O-CD 3.44Å; P1300-T1302 PolarHBondContact O-N 3.27Å; P1300-D1303 PolarHBondContact O-N 3.29Å
1301	M	31.4	Very low	35.4	Very low	153 Å²	153	114.9 Å²	114.9	75%	0.754	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-69.3	-3	-177.1	-156.8	176.5	-64.6	0	0	114.1	D1303	M1301-D1303 VanDerWaalsContact C-N 3.31Å
1302	T	38.9	Very low	33.8	Very low	93 Å²	93	120.7 Å²	120.7	57%	0.571	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-69	-27.1	176.9	41.8	0	0	0	0	113.2	P1300 L1304	P1300-T1302 PolarHBondContact O-N 3.27Å; T1302-L1304 PolarHBondContact O-N 2.76Å
1303	D	41.6	Very low	32.6	Very low	104 Å²	104	122.5 Å²	122.5	56%	0.556	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-96.7	8.6	-160.1	-51.2	-11.3	0	0	0	112.9	V1299 P1300 M1301	V1299-D1303 HydrophobicContact CG1-CB 4.04Å; P1300-D1303 PolarHBondContact O-N 3.29Å; M1301-D1303 VanDerWaalsContact C-N 3.31Å
1304	L	36.7	Very low	31.8	Very low	123 Å²	123	128.8 Å²	128.8	64%	0.644	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-114.2	8.8	177.4	-71.6	173.6	0	0	0	113.4	T1302	T1302-L1304 PolarHBondContact O-N 2.76Å
1305	L	32.1	Very low	31.4	Very low	125 Å²	125	129.8 Å²	129.8	65%	0.654	74%	0.737	S	S	*	*	S	Bend	trans	-102.3	139.1	167	-69.6	170.5	0	0	0	109.3	A1307	L1305-A1307 PolarHBondContact O-N 2.97Å
1306	P	34.3	Very low	31.2	Very low	120 Å²	120	129.9 Å²	129.9	78%	0.779	73%	0.734	S	S	*	*			trans	-71.4	79	170.1	30.1	-33.7	0	0	0	110.2	K1308	P1306-K1308 PolarHBondContact O-N 3.36Å
1307	A	29.5	Very low	31.1	Very low	88 Å²	88	136.9 Å²	136.9	73%	0.727	75%	0.745	S	S	*	*			trans	-77.1	49.4	-175.9	0	0	0	0	0	113.5	L1305	L1305-A1307 PolarHBondContact O-N 2.97Å
1308	K	30.1	Very low	31	Very low	201 Å²	201	142 Å²	142	87%	0.874	75%	0.75	S	S	*	*	S	Bend	trans	179.7	125.6	168.4	-95.2	146.6	-176.8	-176.6	0	106.6	P1306	P1306-K1308 PolarHBondContact O-N 3.36Å
1309	G	29.6	Very low	30.8	Very low	75 Å²	75	139.1 Å²	139.1	77%	0.773	74%	0.744	S	S	*	*	S	Bend	trans	178.8	-78.7	-179.6	0	0	0	0	0	114
1310	Y	29.2	Very low	30.4	Very low	239 Å²	239	139 Å²	139	94%	0.937	74%	0.744	S	S	*	*			trans	-107	102.7	-179.4	-98.9	-93	0	0	0	112
1311	G	25.3	Very low	30.2	Very low	78 Å²	78	143 Å²	143	80%	0.804	76%	0.762	S	S	*	*			trans	-92.4	115.3	172.4	0	0	0	0	0	111.7
1312	V	28.7	Very low	30.1	Very low	139 Å²	139	141.6 Å²	141.6	84%	0.842	77%	0.767	S	S	*	*			trans	-119.4	119.9	154.2	179	0	0	0	0	106.8
1313	Q	25.7	Very low	29.7	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.804	76%	0.762	S	S	*	*			trans	-69.4	142.6	175.1	-63.2	170	-39.7	0	0	110
1314	M	26	Very low	29	Very low	171 Å²	171	139.2 Å²	139.2	84%	0.842	76%	0.759	S	S	*	*				-168	160	123.5	-93.9	-44.4	154.9	0	0	111.4
1315	D	27.2	Very low	29	Very low	153 Å²	153	138 Å²	138	82%	0.818	76%	0.758	S	S	*	*			trans	-55.2	157	-165.1	-80.6	-60.9	0	0	0	118.6
1316	E	27.4	Very low	29.2	Very low	156 Å²	156	138.7 Å²	138.7	73%	0.729	76%	0.756	S	S	*	*	S	Bend	trans	-62.9	151.6	162	-56	-171.1	149.2	0	0	112.4
1317	R	28.2	Very low	29.4	Very low	219 Å²	219	138.8 Å²	138.8	83%	0.826	75%	0.746	S	S	*	*	S	Bend	trans	73.6	76.9	164.1	-45.3	175.8	-168.3	-164.8	1.1	117.5
1318	K	29.8	Very low	30	Very low	198 Å²	198	140.5 Å²	140.5	86%	0.861	74%	0.743	S	S	*	*			trans	-176.4	160.9	132.7	-97.7	144.2	-168.1	170.9	0	111.7
1319	N	26.8	Very low	30.8	Very low	138 Å²	138	134.7 Å²	134.7	74%	0.738	72%	0.721	S	S	*	*			trans	44	108.1	152.3	-75.3	19.1	0	0	0	118.8
1320	T	26.5	Very low	31.6	Very low	109 Å²	109	138.2 Å²	138.2	67%	0.669	72%	0.715	S	S	*	*				57.9	130.3	91.6	65.5	0	0	0	0	115.8
1321	N	30.1	Very low	32.5	Very low	148 Å²	148	128.8 Å²	128.8	79%	0.791	68%	0.682	S	S	*	*			trans	80.6	59.2	166.9	-53.4	-11	0	0	0	117.5
1322	S	29.2	Very low	33.6	Very low	124 Å²	124	131.9 Å²	131.9	87%	0.867	69%	0.691	S	S	*	*			trans	-120.9	50.5	153	62	0	0	0	0	110.3	C1324	S1322-C1324 PolarHBondContact O-N 3.47Å
1323	T	29.6	Very low	34.3	Very low	77 Å²	77	128.1 Å²	128.1	47%	0.472	67%	0.671	S	S	.	*			trans	-65.7	115.9	-170.1	-50	0	0	0	0	112.3	N1328	T1323-N1328 WeakPolarHBondContact CG2-ND2 3.45Å
1324	C	28.1	Very low	35.7	Very low	71 Å²	71	122.1 Å²	122.1	48%	0.48	66%	0.655	S	S	.	*			trans	-66	130.1	163.8	-169.4	0	0	0	0	108.5	S1322 F1326 E1327	S1322-C1324 PolarHBondContact O-N 3.47Å; C1324-F1326 PolarHBondContact O-N 2.85Å; C1324-E1327 HydrophobicContact CB-CG 4.42Å; C1324-E1327 PolarHBondContact O-N 3.16Å
1325	P	35.9	Very low	37	Very low	97 Å²	97	116.3 Å²	116.3	63%	0.63	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-23	-163.5	-30.5	36.2	0	0	0	116.6
1326	F	35.8	Very low	38.6	Very low	139 Å²	139	111.5 Å²	111.5	61%	0.61	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-15.4	-172.4	-68.9	-84.6	0	0	0	115.3	C1324 N1328 I1329	C1324-F1326 PolarHBondContact O-N 2.85Å; F1326-N1328 PolarHBondContact O-N 3.02Å; F1326-I1329 HydrophobicContact CD1-CD1 4.03Å; F1326-I1329 HydrophobicContact CE1-CD1 4.49Å
1327	E	38.3	Very low	40.3	Very low	123 Å²	123	104.4 Å²	104.4	58%	0.575	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-26	-172.2	-68.1	-172.7	117.3	0	0	114.1	C1324	C1324-E1327 HydrophobicContact CB-CG 4.42Å; C1324-E1327 PolarHBondContact O-N 3.16Å
1328	N	43.5	Very low	42	Very low	123 Å²	123	95 Å²	95	66%	0.658	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-1.4	179.6	-81.3	-51.7	0	0	0	114.2	T1323 F1326 K1330	T1323-N1328 WeakPolarHBondContact CG2-ND2 3.45Å; F1326-N1328 PolarHBondContact O-N 3.02Å; N1328-K1330 PolarHBondContact O-N 3.36Å; N1328-K1330 VanDerWaalsContact O-N 3.13Å
1329	I	46	Very low	44	Very low	80 Å²	80	85.8 Å²	85.8	41%	0.41	50%	0.504	S	S	.	.			trans	-75.8	106.5	176.5	-51.4	177.9	0	0	0	108.3	F1326 A1337	F1326-I1329 HydrophobicContact CD1-CD1 4.03Å; F1326-I1329 HydrophobicContact CE1-CD1 4.49Å; I1329-A1337 HydrophobicContact CB-CB 3.8Å; I1329-A1337 HydrophobicContact CG2-CB 3.69Å; I1329-A1337 WeakPolarHBondContact O-CB 3.45Å; I1329-A1337 PolarHBondContact O-N 2.86Å
1330	K	45.9	Very low	46	Very low	149 Å²	149	80.6 Å²	80.6	65%	0.648	48%	0.478	S	S	*	.	B	Isolated β-bridge	trans	-99	147.2	165.3	-65.8	179.9	-179.2	-178.4	0	109.5	N1328 L1335	N1328-K1330 PolarHBondContact O-N 3.36Å; N1328-K1330 VanDerWaalsContact O-N 3.13Å; K1330-L1335 CarbonylContact C-O 3.59Å; K1330-L1335 VanDerWaalsContact CA-O 3.29Å; K1330-L1335 WeakPolarHBondContact CA-O 3.28Å
1331	T	48.9	Very low	48.1	Very low	41 Å²	41	82.2 Å²	82.2	25%	0.252	48%	0.476	S	S	.	.			trans	-67.7	169.5	166.7	55.5	0	0	0	0	110.9	S1333 G1334 L1335 V1340	T1331-S1333 PolarHBondContact O-N 2.59Å; T1331-S1333 PolarHBondContact OG1-N 3.19Å; T1331-S1333 PolarHBondContact OG1-OG 2.87Å; T1331-G1334 PolarHBondContact O-N 3.42Å; T1331-L1335 PolarHBondContact N-O 3.45Å; T1331-L1335 PolarHBondContact OG1-N 3.27Å; T1331-L1335 PolarHBondContact OG1-O 2.87Å; T1331-V1340 HydrophobicContact CG2-CB 4.06Å; T1331-V1340 HydrophobicContact CG2-CG1 4.04Å; T1331-V1340 HydrophobicContact CG2-CG2 3.54Å
1332	S	47.6	Very low	50	Low	142 Å²	142	75.9 Å²	75.9	99%	0.993	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-18.9	167.6	49	0	0	0	0	113.9
1333	S	44.2	Very low	52	Low	61 Å²	61	72.8 Å²	72.8	43%	0.427	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	11.1	173.1	50.8	0	0	0	0	114.4	T1331 L1335	T1331-S1333 PolarHBondContact O-N 2.59Å; T1331-S1333 PolarHBondContact OG1-N 3.19Å; T1331-S1333 PolarHBondContact OG1-OG 2.87Å; S1333-L1335 PolarHBondContact O-N 3.04Å; S1333-L1335 VanDerWaalsContact O-N 3.14Å
1334	G	54.3	Low	53.9	Low	45 Å²	45	76.7 Å²	76.7	46%	0.464	42%	0.421	S	S	.	.	S	Bend	trans	75.8	-6.6	175	0	0	0	0	0	116	T1331	T1331-G1334 PolarHBondContact O-N 3.42Å
1335	L	52.9	Low	56	Low	49 Å²	49	74.6 Å²	74.6	26%	0.257	41%	0.411	S	S	.	.			trans	-69.6	143.2	177.8	-68.7	164.7	0	0	0	111	K1330 T1331 S1333 A1337 V1340	K1330-L1335 CarbonylContact C-O 3.59Å; K1330-L1335 VanDerWaalsContact CA-O 3.29Å; K1330-L1335 WeakPolarHBondContact CA-O 3.28Å; T1331-L1335 PolarHBondContact N-O 3.45Å; T1331-L1335 PolarHBondContact OG1-N 3.27Å; T1331-L1335 PolarHBondContact OG1-O 2.87Å; S1333-L1335 PolarHBondContact O-N 3.04Å; S1333-L1335 VanDerWaalsContact O-N 3.14Å; L1335-A1337 PolarHBondContact O-N 3.42Å; L1335-V1340 HydrophobicContact CB-CG2 3.74Å; L1335-V1340 HydrophobicContact CD1-CG2 4.19Å
1336	P	60.8	Low	57.5	Low	52 Å²	52	71.4 Å²	71.4	34%	0.338	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-59.1	133.3	171.9	-21.2	32.3	0	0	0	110.7	G1338 C1339 V1340	P1336-G1338 PolarHBondContact O-N 2.86Å; P1336-C1339 HydrophobicContact CB-CB 4.34Å; P1336-C1339 WeakPolarHBondContact O-CA 2.92Å; P1336-C1339 WeakPolarHBondContact O-CB 3.42Å; P1336-C1339 PolarHBondContact O-N 2.98Å; P1336-V1340 PolarHBondContact O-N 2.72Å
1337	A	63.7	Low	58.9	Low	7 Å²	7	66.7 Å²	66.7	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-56.6	-36.9	-179.9	0	0	0	0	0	111.9	I1329 L1335 C1339 V1340 F1341	I1329-A1337 HydrophobicContact CB-CB 3.8Å; I1329-A1337 HydrophobicContact CG2-CB 3.69Å; I1329-A1337 WeakPolarHBondContact O-CB 3.45Å; I1329-A1337 PolarHBondContact O-N 2.86Å; L1335-A1337 PolarHBondContact O-N 3.42Å; A1337-C1339 VanDerWaalsContact C-N 3.33Å; A1337-C1339 PolarHBondContact O-N 2.94Å; A1337-V1340 CarbonylContact O-C 3.53Å; A1337-V1340 PolarHBondContact O-N 3.37Å; A1337-V1340 VanDerWaalsContact O-N 3.12Å; A1337-F1341 HydrophobicContact CB-CD2 4.09Å; A1337-F1341 HydrophobicContact CB-CE2 3.96Å; A1337-F1341 WeakPolarHBondContact O-CB 3.28Å; A1337-F1341 WeakPolarHBondContact O-CD2 3.35Å; A1337-F1341 PolarHBondContact O-N 3.35Å
1338	G	63.8	Low	60.2	Low	21 Å²	21	66.6 Å²	66.6	22%	0.216	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-37.3	172.9	0	0	0	0	0	114.1	F1180 P1336 C1342	F1180-G1338 VanDerWaalsContact CD1-O 3.31Å; F1180-G1338 WeakPolarHBondContact CD1-O 3.47Å; P1336-G1338 PolarHBondContact O-N 2.86Å; G1338-C1342 WeakPolarHBondContact O-CB 3.37Å; G1338-C1342 PolarHBondContact O-N 2.99Å
1339	C	71.9	Confident	61.2	Low	6 Å²	6	64.8 Å²	64.8	4%	0.041	36%	0.362	C	S	.	.	H	α-helix	trans	-66.8	-39.4	174.4	-179.8	0	0	0	0	111.1	F1180 C1181 P1336 A1337 K1343	F1180-C1339 WeakPolarHBondContact O-CA 3.42Å; F1180-C1339 VanDerWaalsContact O-CB 3.25Å; F1180-C1339 WeakPolarHBondContact O-CB 3.29Å; F1180-C1339 PolarHBondContact O-N 3.43Å; C1181-C1339 HydrophobicContact CB-CB 4.02Å; C1181-C1339 WeakPolarHBondContact CB-SG 3.31Å; C1181-C1339 WeakPolarHBondContact SG-CA 3.33Å; C1181-C1339 WeakPolarHBondContact SG-CB 3.36Å; C1181-C1339 CovalentContact SG-SG 2.04Å; C1181-C1339 PolarHBondContact SG-SG 3.31Å; P1336-C1339 HydrophobicContact CB-CB 4.34Å; P1336-C1339 WeakPolarHBondContact O-CA 2.92Å; P1336-C1339 WeakPolarHBondContact O-CB 3.42Å; P1336-C1339 PolarHBondContact O-N 2.98Å; A1337-C1339 VanDerWaalsContact C-N 3.33Å; A1337-C1339 PolarHBondContact O-N 2.94Å; C1339-K1343 WeakPolarHBondContact O-CB 3.31Å; C1339-K1343 WeakPolarHBondContact O-CG 3.5Å; C1339-K1343 PolarHBondContact O-N 3.24Å
1340	V	69.8	Low	62.1	Low	29 Å²	29	62.1 Å²	62.1	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-71.4	-50.3	179.7	175.9	0	0	0	0	111	T1331 L1335 P1336 A1337 C1342 K1343 Y1344	T1331-V1340 HydrophobicContact CG2-CB 4.06Å; T1331-V1340 HydrophobicContact CG2-CG1 4.04Å; T1331-V1340 HydrophobicContact CG2-CG2 3.54Å; L1335-V1340 HydrophobicContact CB-CG2 3.74Å; L1335-V1340 HydrophobicContact CD1-CG2 4.19Å; P1336-V1340 PolarHBondContact O-N 2.72Å; A1337-V1340 CarbonylContact O-C 3.53Å; A1337-V1340 PolarHBondContact O-N 3.37Å; A1337-V1340 VanDerWaalsContact O-N 3.12Å; V1340-C1342 VanDerWaalsContact C-N 3.25Å; V1340-C1342 PolarHBondContact O-N 2.91Å; V1340-K1343 PolarHBondContact O-N 3.32Å; V1340-Y1344 HydrophobicContact CG1-CD2 3.65Å; V1340-Y1344 HydrophobicContact CG1-CE2 3.9Å; V1340-Y1344 WeakPolarHBondContact O-CD2 3.33Å; V1340-Y1344 PolarHBondContact O-N 3.04Å
1341	F	70.1	Confident	63	Low	143 Å²	143	59.8 Å²	59.8	63%	0.627	34%	0.344	S	S	*	.	H	α-helix	trans	-58	-36.6	173.2	-73.8	-56.2	0	0	0	112.2	A1337 G1345	A1337-F1341 HydrophobicContact CB-CD2 4.09Å; A1337-F1341 HydrophobicContact CB-CE2 3.96Å; A1337-F1341 WeakPolarHBondContact O-CB 3.28Å; A1337-F1341 WeakPolarHBondContact O-CD2 3.35Å; A1337-F1341 PolarHBondContact O-N 3.35Å; F1341-G1345 WeakPolarHBondContact O-CA 3.37Å; F1341-G1345 PolarHBondContact O-N 3Å
1342	C	69.1	Low	63.7	Low	14 Å²	14	62.6 Å²	62.6	10%	0.095	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-49.1	173.5	-178.9	0	0	0	0	111.9	C1175 F1180 G1338 V1340 L1346	C1175-C1342 WeakPolarHBondContact CA-SG 3.3Å; C1175-C1342 HydrophobicContact CB-CB 3.94Å; C1175-C1342 WeakPolarHBondContact CB-SG 3.28Å; C1175-C1342 WeakPolarHBondContact SG-CB 3.45Å; C1175-C1342 PolarHBondContact SG-O 3.4Å; C1175-C1342 CovalentContact SG-SG 2.03Å; C1175-C1342 PolarHBondContact SG-SG 3.49Å; F1180-C1342 HydrophobicContact CB-CB 3.56Å; F1180-C1342 HydrophobicContact CD1-CB 4.03Å; F1180-C1342 HydrophobicContact CD2-CB 4.34Å; F1180-C1342 HydrophobicContact CG-CB 3.73Å; G1338-C1342 WeakPolarHBondContact O-CB 3.37Å; G1338-C1342 PolarHBondContact O-N 2.99Å; V1340-C1342 VanDerWaalsContact C-N 3.25Å; V1340-C1342 PolarHBondContact O-N 2.91Å; C1342-L1346 VanDerWaalsContact O-CB 3.27Å; C1342-L1346 WeakPolarHBondContact O-CB 3.49Å; C1342-L1346 VanDerWaalsContact O-CG 3.32Å; C1342-L1346 WeakPolarHBondContact O-CG 3.38Å; C1342-L1346 PolarHBondContact O-N 3.18Å
1343	K	71.8	Confident	64.2	Low	60 Å²	60	58.7 Å²	58.7	26%	0.261	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-52.1	-179.3	-78.6	-172.1	-177.2	-168.5	0	112.1	E1172 C1175 C1339 V1340 S1347	E1172-K1343 WeakPolarHBondContact OE1-CE 3.48Å; E1172-K1343 IonicContact OE1-NZ 3.81Å; E1172-K1343 PolarHBondContact OE1-NZ 3.2Å; C1175-K1343 PolarHBondContact SG-N 2.92Å; C1175-K1343 VanDerWaalsContact SG-N 3.39Å; C1339-K1343 WeakPolarHBondContact O-CB 3.31Å; C1339-K1343 WeakPolarHBondContact O-CG 3.5Å; C1339-K1343 PolarHBondContact O-N 3.24Å; V1340-K1343 PolarHBondContact O-N 3.32Å; K1343-S1347 PolarHBondContact O-N 2.96Å; K1343-S1347 VanDerWaalsContact O-N 3.13Å; K1343-S1347 PolarHBondContact O-OG 2.76Å
1344	Y	69.7	Low	65	Low	159 Å²	159	58.8 Å²	58.8	62%	0.624	32%	0.324	S	S	*	.	H	α-helix	trans	-73.6	-37.1	-179.6	-77	-85.5	0	0	0	112.4	V1340 S1347 E1348	V1340-Y1344 HydrophobicContact CG1-CD2 3.65Å; V1340-Y1344 HydrophobicContact CG1-CE2 3.9Å; V1340-Y1344 WeakPolarHBondContact O-CD2 3.33Å; V1340-Y1344 PolarHBondContact O-N 3.04Å; Y1344-S1347 WeakPolarHBondContact CA-OG 3.25Å; Y1344-S1347 PolarHBondContact O-N 3.19Å; Y1344-S1347 PolarHBondContact O-OG 3.4Å; Y1344-E1348 WeakPolarHBondContact O-CB 3.46Å; Y1344-E1348 WeakPolarHBondContact O-CG 3.47Å; Y1344-E1348 PolarHBondContact O-N 3.22Å
1345	G	71.2	Confident	65.5	Low	27 Å²	27	59 Å²	59	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-41.5	176.8	0	0	0	0	0	112.1	F1341 I1349	F1341-G1345 WeakPolarHBondContact O-CA 3.37Å; F1341-G1345 PolarHBondContact O-N 3Å; G1345-I1349 WeakPolarHBondContact O-CB 3.17Å; G1345-I1349 WeakPolarHBondContact O-CD1 3.29Å; G1345-I1349 WeakPolarHBondContact O-CG1 3.48Å; G1345-I1349 PolarHBondContact O-N 3.15Å
1346	L	67.9	Low	66.2	Low	30 Å²	30	61.7 Å²	61.7	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-70.6	-37.1	174.6	-71.9	177.7	0	0	0	112.7	P1171 V1174 C1342 V1350	P1171-L1346 HydrophobicContact CB-CB 3.76Å; P1171-L1346 HydrophobicContact CB-CD1 4.27Å; V1174-L1346 HydrophobicContact CB-CD1 3.77Å; V1174-L1346 HydrophobicContact CG1-CD1 3.46Å; V1174-L1346 VanDerWaalsContact CG1-CD1 3.46Å; C1342-L1346 VanDerWaalsContact O-CB 3.27Å; C1342-L1346 WeakPolarHBondContact O-CB 3.49Å; C1342-L1346 VanDerWaalsContact O-CG 3.32Å; C1342-L1346 WeakPolarHBondContact O-CG 3.38Å; C1342-L1346 PolarHBondContact O-N 3.18Å; L1346-V1350 WeakPolarHBondContact O-CB 3.39Å; L1346-V1350 VanDerWaalsContact O-CG2 3.24Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.41Å; L1346-V1350 PolarHBondContact O-N 3.19Å
1347	S	64.9	Low	66.6	Low	39 Å²	39	64.6 Å²	64.6	27%	0.273	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-48.4	174	59.8	0	0	0	0	111.3	K1343 Y1344 I1349 V1350 D1351	K1343-S1347 PolarHBondContact O-N 2.96Å; K1343-S1347 VanDerWaalsContact O-N 3.13Å; K1343-S1347 PolarHBondContact O-OG 2.76Å; Y1344-S1347 WeakPolarHBondContact CA-OG 3.25Å; Y1344-S1347 PolarHBondContact O-N 3.19Å; Y1344-S1347 PolarHBondContact O-OG 3.4Å; S1347-I1349 PolarHBondContact O-N 3.42Å; S1347-V1350 PolarHBondContact O-N 2.93Å; S1347-D1351 WeakPolarHBondContact O-CB 3.46Å; S1347-D1351 PolarHBondContact O-N 2.78Å
1348	E	66.6	Low	66.6	Low	121 Å²	121	64.8 Å²	64.8	57%	0.565	35%	0.35	S	S	*	.	H	α-helix	trans	-65.9	-37.5	178	-71.9	-68.5	169.5	0	0	112.3	Y1344 L1352	Y1344-E1348 WeakPolarHBondContact O-CB 3.46Å; Y1344-E1348 WeakPolarHBondContact O-CG 3.47Å; Y1344-E1348 PolarHBondContact O-N 3.22Å; E1348-L1352 WeakPolarHBondContact O-CA 3.47Å; E1348-L1352 WeakPolarHBondContact O-CB 3.26Å; E1348-L1352 PolarHBondContact O-N 2.9Å
1349	I	63.7	Low	66.8	Low	86 Å²	86	64.1 Å²	64.1	44%	0.441	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-41.8	174.6	-74.3	166.1	0	0	0	111.2	G1345 S1347 M1353	G1345-I1349 WeakPolarHBondContact O-CB 3.17Å; G1345-I1349 WeakPolarHBondContact O-CD1 3.29Å; G1345-I1349 WeakPolarHBondContact O-CG1 3.48Å; G1345-I1349 PolarHBondContact O-N 3.15Å; S1347-I1349 PolarHBondContact O-N 3.42Å; I1349-M1353 HydrophobicContact CG2-CE 3.77Å; I1349-M1353 VanDerWaalsContact O-CB 3.29Å; I1349-M1353 WeakPolarHBondContact O-CB 3.22Å; I1349-M1353 WeakPolarHBondContact O-CG 3.43Å; I1349-M1353 PolarHBondContact O-N 3.04Å
1350	V	64.3	Low	66.5	Low	24 Å²	24	67 Å²	67	15%	0.145	36%	0.362	C	S	.	.	H	α-helix	trans	-69.2	-42.7	177.9	168.8	0	0	0	0	111.6	I1168 L1346 S1347 S1354	I1168-V1350 HydrophobicContact CG1-CG2 4.17Å; I1168-V1350 HydrophobicContact CG2-CG2 4.45Å; L1346-V1350 WeakPolarHBondContact O-CB 3.39Å; L1346-V1350 VanDerWaalsContact O-CG2 3.24Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.41Å; L1346-V1350 PolarHBondContact O-N 3.19Å; S1347-V1350 PolarHBondContact O-N 2.93Å; V1350-S1354 VanDerWaalsContact O-CB 3.23Å; V1350-S1354 WeakPolarHBondContact O-CB 3.37Å; V1350-S1354 PolarHBondContact O-N 3.22Å; V1350-S1354 PolarHBondContact O-OG 2.86Å
1351	D	65.3	Low	66.4	Low	99 Å²	99	68.3 Å²	68.3	53%	0.529	38%	0.375	S	S	.	.	H	α-helix	trans	-72.1	-45.8	179.8	-75	-29	0	0	0	111.2	S1347 S1354 T1355	S1347-D1351 WeakPolarHBondContact O-CB 3.46Å; S1347-D1351 PolarHBondContact O-N 2.78Å; D1351-S1354 WeakPolarHBondContact O-CA 3.45Å; D1351-S1354 WeakPolarHBondContact O-CB 3.46Å; D1351-S1354 PolarHBondContact O-N 3.21Å; D1351-T1355 WeakPolarHBondContact O-CG2 3.49Å; D1351-T1355 PolarHBondContact O-N 3.41Å
1352	L	63.9	Low	66.3	Low	100 Å²	100	64.2 Å²	64.2	52%	0.524	36%	0.359	S	S	.	.	H	α-helix	trans	-57	-54.8	175.4	-170.6	76.1	0	0	0	110.7	E1348 S1354 T1355 A1358	E1348-L1352 WeakPolarHBondContact O-CA 3.47Å; E1348-L1352 WeakPolarHBondContact O-CB 3.26Å; E1348-L1352 PolarHBondContact O-N 2.9Å; L1352-S1354 PolarHBondContact O-N 3.03Å; L1352-S1354 VanDerWaalsContact O-N 3.17Å; L1352-T1355 PolarHBondContact O-N 3.19Å; L1352-T1355 PolarHBondContact O-OG1 3.48Å; L1352-A1358 HydrophobicContact CD1-CB 4.36Å; L1352-A1358 HydrophobicContact CG-CB 3.99Å; L1352-A1358 WeakPolarHBondContact O-CB 3.48Å
1353	M	57.8	Low	66.2	Low	60 Å²	60	65.2 Å²	65.2	30%	0.296	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-12.7	177.3	-67	-159.7	-57.7	0	0	113.9	I1349 L1397	I1349-M1353 HydrophobicContact CG2-CE 3.77Å; I1349-M1353 VanDerWaalsContact O-CB 3.29Å; I1349-M1353 WeakPolarHBondContact O-CB 3.22Å; I1349-M1353 WeakPolarHBondContact O-CG 3.43Å; I1349-M1353 PolarHBondContact O-N 3.04Å; M1353-L1397 HydrophobicContact CB-CD2 4.29Å; M1353-L1397 HydrophobicContact CE-CD2 3.97Å
1354	S	61.4	Low	66.1	Low	63 Å²	63	64.5 Å²	64.5	44%	0.441	37%	0.373	S	S	.	.	H	α-helix	trans	-84.9	-10.1	170.1	-65.1	0	0	0	0	113.6	V1350 D1351 L1352	V1350-S1354 VanDerWaalsContact O-CB 3.23Å; V1350-S1354 WeakPolarHBondContact O-CB 3.37Å; V1350-S1354 PolarHBondContact O-N 3.22Å; V1350-S1354 PolarHBondContact O-OG 2.86Å; D1351-S1354 WeakPolarHBondContact O-CA 3.45Å; D1351-S1354 WeakPolarHBondContact O-CB 3.46Å; D1351-S1354 PolarHBondContact O-N 3.21Å; L1352-S1354 PolarHBondContact O-N 3.03Å; L1352-S1354 VanDerWaalsContact O-N 3.17Å
1355	T	65.9	Low	66.1	Low	50 Å²	50	63.1 Å²	63.1	31%	0.307	38%	0.376	S	S	.	.	S	Bend	trans	-85.7	135.2	175.9	69.3	0	0	0	0	112.1	D1351 L1352 T1357 A1358 L1359	D1351-T1355 WeakPolarHBondContact O-CG2 3.49Å; D1351-T1355 PolarHBondContact O-N 3.41Å; L1352-T1355 PolarHBondContact O-N 3.19Å; L1352-T1355 PolarHBondContact O-OG1 3.48Å; T1355-T1357 VanDerWaalsContact CB-OG1 3.24Å; T1355-T1357 WeakPolarHBondContact CB-OG1 3.39Å; T1355-T1357 PolarHBondContact O-N 2.97Å; T1355-T1357 PolarHBondContact OG1-OG1 3.02Å; T1355-A1358 PolarHBondContact O-N 3.35Å; T1355-A1358 VanDerWaalsContact O-N 3.1Å; T1355-A1358 WeakPolarHBondContact OG1-CB 3.25Å; T1355-A1358 PolarHBondContact OG1-N 3.42Å; T1355-A1358 VanDerWaalsContact OG1-N 3.09Å; T1355-L1359 PolarHBondContact O-N 3.09Å; T1355-L1359 VanDerWaalsContact O-N 3.11Å
1356	D	65.8	Low	66.1	Low	105 Å²	105	63.5 Å²	63.5	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-60.3	-28.6	171.2	-68.6	-58.4	0	0	0	111.6	A1358 L1359 S1360 K1394	D1356-A1358 PolarHBondContact O-N 3.03Å; D1356-L1359 PolarHBondContact O-N 3.04Å; D1356-S1360 PolarHBondContact O-N 3.1Å; D1356-K1394 IonicContact OD1-NZ 3.67Å; D1356-K1394 PolarHBondContact OD1-NZ 3.41Å
1357	T	69.2	Low	66.6	Low	113 Å²	113	64.3 Å²	64.3	69%	0.693	38%	0.377	S	S	*	.	H	α-helix	trans	-61.4	-38.9	172.5	38.3	0	0	0	0	113.9	T1355 A1361	T1355-T1357 VanDerWaalsContact CB-OG1 3.24Å; T1355-T1357 WeakPolarHBondContact CB-OG1 3.39Å; T1355-T1357 PolarHBondContact O-N 2.97Å; T1355-T1357 PolarHBondContact OG1-OG1 3.02Å; T1357-A1361 WeakPolarHBondContact O-CB 3.45Å; T1357-A1361 PolarHBondContact O-N 2.73Å; T1357-A1361 VanDerWaalsContact O-N 3.09Å
1358	A	64.7	Low	67	Low	11 Å²	11	64.1 Å²	64.1	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-76.6	-38	175.3	0	0	0	0	0	111.1	L1352 T1355 D1356 S1360 A1361 I1362	L1352-A1358 HydrophobicContact CD1-CB 4.36Å; L1352-A1358 HydrophobicContact CG-CB 3.99Å; L1352-A1358 WeakPolarHBondContact O-CB 3.48Å; T1355-A1358 PolarHBondContact O-N 3.35Å; T1355-A1358 VanDerWaalsContact O-N 3.1Å; T1355-A1358 WeakPolarHBondContact OG1-CB 3.25Å; T1355-A1358 PolarHBondContact OG1-N 3.42Å; T1355-A1358 VanDerWaalsContact OG1-N 3.09Å; D1356-A1358 PolarHBondContact O-N 3.03Å; A1358-S1360 VanDerWaalsContact C-N 3.32Å; A1358-S1360 PolarHBondContact O-N 2.69Å; A1358-A1361 PolarHBondContact O-N 3.1Å; A1358-A1361 VanDerWaalsContact O-N 3.15Å; A1358-I1362 VanDerWaalsContact O-CG1 3.25Å; A1358-I1362 WeakPolarHBondContact O-CG1 3.45Å; A1358-I1362 PolarHBondContact O-N 3.15Å
1359	L	67.3	Low	67.6	Low	8 Å²	8	62 Å²	62	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-58.5	-44.6	174.7	-68.4	174.9	0	0	0	111.2	T1355 D1356 I1362 E1363 M1393 K1394 L1397	T1355-L1359 PolarHBondContact O-N 3.09Å; T1355-L1359 VanDerWaalsContact O-N 3.11Å; D1356-L1359 PolarHBondContact O-N 3.04Å; L1359-I1362 PolarHBondContact O-N 3.42Å; L1359-E1363 VanDerWaalsContact O-CB 3.25Å; L1359-E1363 WeakPolarHBondContact O-CB 3.13Å; L1359-E1363 PolarHBondContact O-N 2.78Å; L1359-M1393 HydrophobicContact CD2-CB 4.23Å; L1359-K1394 HydrophobicContact CD1-CD 4.38Å; L1359-K1394 HydrophobicContact CD1-CG 4.18Å; L1359-L1397 HydrophobicContact CD2-CD1 4.39Å
1360	S	66.8	Low	68.4	Low	67 Å²	67	58 Å²	58	47%	0.469	36%	0.356	S	S	.	.	H	α-helix	trans	-73.5	-23.4	174.9	-71.3	0	0	0	0	114.8	D1356 A1358 E1363 G1364	D1356-S1360 PolarHBondContact O-N 3.1Å; A1358-S1360 VanDerWaalsContact C-N 3.32Å; A1358-S1360 PolarHBondContact O-N 2.69Å; S1360-E1363 WeakPolarHBondContact CA-OE2 3.34Å; S1360-E1363 WeakPolarHBondContact CB-OE2 3.2Å; S1360-E1363 PolarHBondContact OG-OE2 2.84Å; S1360-G1364 PolarHBondContact O-N 3.45Å; S1360-G1364 VanDerWaalsContact O-N 3.11Å
1361	A	67.2	Low	69	Low	56 Å²	56	61.7 Å²	61.7	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-72	-37	169.8	0	0	0	0	0	112.1	T1357 A1358 N1365	T1357-A1361 WeakPolarHBondContact O-CB 3.45Å; T1357-A1361 PolarHBondContact O-N 2.73Å; T1357-A1361 VanDerWaalsContact O-N 3.09Å; A1358-A1361 PolarHBondContact O-N 3.1Å; A1358-A1361 VanDerWaalsContact O-N 3.15Å; A1361-N1365 PolarHBondContact O-N 3.18Å; A1361-N1365 PolarHBondContact O-ND2 3.44Å; A1361-N1365 VanDerWaalsContact O-ND2 3.09Å
1362	I	67	Low	69.7	Low	56 Å²	56	63 Å²	63	29%	0.287	39%	0.389	S	S	.	.	H	α-helix	trans	-73	-41.8	174.3	-57.5	160.5	0	0	0	109.7	A1358 L1359 G1364 N1365 V1366 F1389	A1358-I1362 VanDerWaalsContact O-CG1 3.25Å; A1358-I1362 WeakPolarHBondContact O-CG1 3.45Å; A1358-I1362 PolarHBondContact O-N 3.15Å; L1359-I1362 PolarHBondContact O-N 3.42Å; I1362-G1364 VanDerWaalsContact C-N 3.32Å; I1362-G1364 PolarHBondContact O-N 3.19Å; I1362-N1365 PolarHBondContact O-N 3.32Å; I1362-N1365 VanDerWaalsContact O-N 3.1Å; I1362-V1366 HydrophobicContact CG2-CG2 3.86Å; I1362-V1366 WeakPolarHBondContact O-CB 3.35Å; I1362-V1366 VanDerWaalsContact O-CG2 3.3Å; I1362-V1366 WeakPolarHBondContact O-CG2 3.4Å; I1362-V1366 PolarHBondContact O-N 3.23Å; I1362-F1389 HydrophobicContact CB-CZ 4.25Å; I1362-F1389 HydrophobicContact CG2-CE1 4.39Å; I1362-F1389 HydrophobicContact CG2-CZ 3.65Å
1363	E	67.7	Low	70	Confident	35 Å²	35	62.3 Å²	62.3	16%	0.164	38%	0.381	C	S	.	.	H	α-helix	trans	-49.4	-50.1	171.9	-178.1	-179.8	-163.4	0	0	111.3	L1359 S1360 N1365 V1366 L1367 F1389	L1359-E1363 VanDerWaalsContact O-CB 3.25Å; L1359-E1363 WeakPolarHBondContact O-CB 3.13Å; L1359-E1363 PolarHBondContact O-N 2.78Å; S1360-E1363 WeakPolarHBondContact CA-OE2 3.34Å; S1360-E1363 WeakPolarHBondContact CB-OE2 3.2Å; S1360-E1363 PolarHBondContact OG-OE2 2.84Å; E1363-N1365 PolarHBondContact O-N 3.49Å; E1363-V1366 PolarHBondContact O-N 2.7Å; E1363-L1367 HydrophobicContact CG-CD1 4Å; E1363-L1367 WeakPolarHBondContact O-CB 3.29Å; E1363-L1367 VanDerWaalsContact O-CG 3.25Å; E1363-L1367 WeakPolarHBondContact O-CG 3.37Å; E1363-L1367 PolarHBondContact O-N 2.86Å; E1363-F1389 HydrophobicContact CB-CD1 4.19Å; E1363-F1389 HydrophobicContact CB-CE1 4.07Å; E1363-F1389 HydrophobicContact CG-CD1 4.5Å
1364	G	70.9	Confident	70.7	Confident	46 Å²	46	63.4 Å²	63.4	47%	0.474	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-39	177	0	0	0	0	0	114.4	S1360 I1362 G1368	S1360-G1364 PolarHBondContact O-N 3.45Å; S1360-G1364 VanDerWaalsContact O-N 3.11Å; I1362-G1364 VanDerWaalsContact C-N 3.32Å; I1362-G1364 PolarHBondContact O-N 3.19Å; G1364-G1368 PolarHBondContact O-N 3.06Å
1365	N	68.2	Low	71	Confident	129 Å²	129	64.2 Å²	64.2	69%	0.69	40%	0.404	S	S	*	.	H	α-helix	trans	-72.1	-39	176	-70.5	-44.2	0	0	0	112.1	A1361 I1362 E1363 G1368	A1361-N1365 PolarHBondContact O-N 3.18Å; A1361-N1365 PolarHBondContact O-ND2 3.44Å; A1361-N1365 VanDerWaalsContact O-ND2 3.09Å; I1362-N1365 PolarHBondContact O-N 3.32Å; I1362-N1365 VanDerWaalsContact O-N 3.1Å; E1363-N1365 PolarHBondContact O-N 3.49Å; N1365-G1368 WeakPolarHBondContact O-CA 3.32Å; N1365-G1368 PolarHBondContact O-N 3.32Å; N1365-G1368 VanDerWaalsContact O-N 3.14Å
1366	V	71.2	Confident	71.1	Confident	35 Å²	35	68 Å²	68	21%	0.212	42%	0.422	C	S	.	.	H	α-helix	trans	-72.9	-35.6	-178.3	168.5	0	0	0	0	111.4	I1362 E1363 G1368 V1369 M1385 F1389	I1362-V1366 HydrophobicContact CG2-CG2 3.86Å; I1362-V1366 WeakPolarHBondContact O-CB 3.35Å; I1362-V1366 VanDerWaalsContact O-CG2 3.3Å; I1362-V1366 WeakPolarHBondContact O-CG2 3.4Å; I1362-V1366 PolarHBondContact O-N 3.23Å; E1363-V1366 PolarHBondContact O-N 2.7Å; V1366-G1368 PolarHBondContact O-N 2.91Å; V1366-V1369 VanDerWaalsContact O-CB 3.3Å; V1366-V1369 WeakPolarHBondContact O-CB 3.29Å; V1366-V1369 WeakPolarHBondContact O-CG2 3.4Å; V1366-V1369 PolarHBondContact O-N 3.18Å; V1366-V1369 VanDerWaalsContact O-N 3.1Å; V1366-M1385 HydrophobicContact CG1-CE 3.22Å; V1366-F1389 HydrophobicContact CB-CE2 4.35Å; V1366-F1389 HydrophobicContact CG1-CD2 4.06Å; V1366-F1389 HydrophobicContact CG1-CE2 4.06Å; V1366-F1389 HydrophobicContact CG2-CE2 4.03Å; V1366-F1389 HydrophobicContact CG2-CZ 4.15Å
1367	L	79.3	Confident	71.3	Confident	48 Å²	48	70.2 Å²	70.2	25%	0.251	42%	0.422	S	S	.	.	H	α-helix	trans	-63.5	-22.4	168.6	-72	170.4	0	0	0	112.6	E1363 V1369 C1370 T1382 M1385 L1386	E1363-L1367 HydrophobicContact CG-CD1 4Å; E1363-L1367 WeakPolarHBondContact O-CB 3.29Å; E1363-L1367 VanDerWaalsContact O-CG 3.25Å; E1363-L1367 WeakPolarHBondContact O-CG 3.37Å; E1363-L1367 PolarHBondContact O-N 2.86Å; L1367-V1369 PolarHBondContact O-N 3.29Å; L1367-C1370 WeakPolarHBondContact O-CB 3.48Å; L1367-C1370 PolarHBondContact O-N 3.46Å; L1367-T1382 HydrophobicContact CD2-CG2 4.28Å; L1367-M1385 HydrophobicContact CD2-CB 3.93Å; L1367-L1386 HydrophobicContact CD1-CD2 4.06Å; L1367-L1386 HydrophobicContact CD2-CD2 4.48Å; L1367-L1386 HydrophobicContact CD2-CG 4.27Å
1368	G	74.1	Confident	71.6	Confident	35 Å²	35	66.4 Å²	66.4	36%	0.361	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-57	-32.6	170.1	0	0	0	0	0	113.1	G1364 N1365 V1366 C1370 S1371	G1364-G1368 PolarHBondContact O-N 3.06Å; N1365-G1368 WeakPolarHBondContact O-CA 3.32Å; N1365-G1368 PolarHBondContact O-N 3.32Å; N1365-G1368 VanDerWaalsContact O-N 3.14Å; V1366-G1368 PolarHBondContact O-N 2.91Å; G1368-C1370 PolarHBondContact O-N 3.06Å; G1368-S1371 WeakPolarHBondContact O-CB 3.33Å; G1368-S1371 PolarHBondContact O-N 3.39Å; G1368-S1371 PolarHBondContact O-OG 3.06Å
1369	V	78	Confident	72	Confident	76 Å²	76	71.1 Å²	71.1	46%	0.461	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-60.9	-30.3	175.1	-176.2	0	0	0	0	111.3	V1366 L1367 S1371 I1372	V1366-V1369 VanDerWaalsContact O-CB 3.3Å; V1366-V1369 WeakPolarHBondContact O-CB 3.29Å; V1366-V1369 WeakPolarHBondContact O-CG2 3.4Å; V1366-V1369 PolarHBondContact O-N 3.18Å; V1366-V1369 VanDerWaalsContact O-N 3.1Å; L1367-V1369 PolarHBondContact O-N 3.29Å; V1369-S1371 PolarHBondContact O-N 2.97Å; V1369-I1372 HydrophobicContact CG1-CD1 4.36Å; V1369-I1372 WeakPolarHBondContact O-CB 3.38Å; V1369-I1372 PolarHBondContact O-N 2.77Å
1370	C	81.4	Confident	72.3	Confident	2 Å²	2	76.8 Å²	76.8	1%	0.014	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-68.5	-18.4	177.7	-60.7	0	0	0	0	114	L1367 G1368 I1372 F1373 C1381 T1382	L1367-C1370 WeakPolarHBondContact O-CB 3.48Å; L1367-C1370 PolarHBondContact O-N 3.46Å; G1368-C1370 PolarHBondContact O-N 3.06Å; C1370-I1372 VanDerWaalsContact C-N 3.31Å; C1370-F1373 PolarHBondContact O-N 3.39Å; C1370-C1381 WeakPolarHBondContact CA-SG 3.33Å; C1370-C1381 HydrophobicContact CB-CB 3.62Å; C1370-C1381 WeakPolarHBondContact CB-SG 3.45Å; C1370-C1381 WeakPolarHBondContact SG-CB 3.3Å; C1370-C1381 PolarHBondContact SG-O 2.89Å; C1370-C1381 CovalentContact SG-SG 2.05Å; C1370-C1381 PolarHBondContact SG-SG 3.47Å; C1370-T1382 PolarHBondContact SG-N 3.33Å; C1370-T1382 VanDerWaalsContact SG-N 3.45Å
1371	S	76.1	Confident	72.8	Confident	101 Å²	101	74.5 Å²	74.5	71%	0.706	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-78.7	-9.2	171	71	0	0	0	0	114.7	G1368 V1369 F1373	G1368-S1371 WeakPolarHBondContact O-CB 3.33Å; G1368-S1371 PolarHBondContact O-N 3.39Å; G1368-S1371 PolarHBondContact O-OG 3.06Å; V1369-S1371 PolarHBondContact O-N 2.97Å; S1371-F1373 VanDerWaalsContact C-N 3.33Å
1372	I	79.9	Confident	73.4	Confident	128 Å²	128	74 Å²	74	66%	0.656	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-26.2	172	-53.7	177.1	0	0	0	110	V1369 C1370	V1369-I1372 HydrophobicContact CG1-CD1 4.36Å; V1369-I1372 WeakPolarHBondContact O-CB 3.38Å; V1369-I1372 PolarHBondContact O-N 2.77Å; C1370-I1372 VanDerWaalsContact C-N 3.31Å
1373	F	70.1	Confident	73.8	Confident	85 Å²	85	76.6 Å²	76.6	37%	0.373	44%	0.44	S	S	.	.	S	Bend	trans	-75	145.3	178.3	-77.9	-76.9	0	0	0	112.2	C1370 S1371 W1377 C1381	C1370-F1373 PolarHBondContact O-N 3.39Å; S1371-F1373 VanDerWaalsContact C-N 3.33Å; F1373-W1377 HydrophobicContact CB-CB 4.12Å; F1373-W1377 HydrophobicContact CD1-CB 4.2Å; F1373-W1377 AromaticContact CD1-CE3 3.66Å; F1373-W1377 HydrophobicContact CD1-CE3 3.66Å; F1373-W1377 HydrophobicContact CD1-CZ3 4.43Å; F1373-W1377 AromaticContact CE1-CE3 3.82Å; F1373-W1377 HydrophobicContact CE1-CE3 3.82Å; F1373-W1377 HydrophobicContact CE1-CZ3 4.28Å; F1373-W1377 HydrophobicContact CG-CB 4.42Å; F1373-C1381 HydrophobicContact CD2-CB 4.04Å; F1373-C1381 HydrophobicContact CE2-CB 4.43Å
1374	P	73	Confident	74.2	Confident	82 Å²	82	80.7 Å²	80.7	53%	0.532	46%	0.457	S	S	.	.			trans	-54.4	154.7	169.4	-24.9	34.7	0	0	0	112	D1376 W1377 S1378	P1374-D1376 PolarHBondContact O-N 2.96Å; P1374-W1377 PolarHBondContact O-N 3.08Å; P1374-S1378 PolarHBondContact O-N 3.3Å
1375	A	67.7	Low	74.4	Confident	81 Å²	81	80.7 Å²	80.7	67%	0.669	45%	0.446	S	S	*	.	H	α-helix	trans	-50.5	-37.1	-176.1	0	0	0	0	0	113.7	W1377	A1375-W1377 PolarHBondContact O-N 2.77Å
1376	D	67.5	Low	74.6	Confident	128 Å²	128	78.4 Å²	78.4	68%	0.684	43%	0.433	S	S	*	.	H	α-helix	trans	-58.7	-27.9	177.1	-55.6	-33.3	0	0	0	113.7	P1374 Q1380	P1374-D1376 PolarHBondContact O-N 2.96Å; D1376-Q1380 PolarHBondContact O-NE2 3.21Å
1377	W	70.6	Confident	74.6	Confident	152 Å²	152	82.1 Å²	82.1	58%	0.576	45%	0.449	S	S	*	.	H	α-helix	trans	-116.2	-16.6	-173.8	-61.1	9.6	0	0	0	113	F1373 P1374 A1375 D1379 Q1380 C1381	F1373-W1377 HydrophobicContact CB-CB 4.12Å; F1373-W1377 HydrophobicContact CD1-CB 4.2Å; F1373-W1377 AromaticContact CD1-CE3 3.66Å; F1373-W1377 HydrophobicContact CD1-CE3 3.66Å; F1373-W1377 HydrophobicContact CD1-CZ3 4.43Å; F1373-W1377 AromaticContact CE1-CE3 3.82Å; F1373-W1377 HydrophobicContact CE1-CE3 3.82Å; F1373-W1377 HydrophobicContact CE1-CZ3 4.28Å; F1373-W1377 HydrophobicContact CG-CB 4.42Å; P1374-W1377 PolarHBondContact O-N 3.08Å; A1375-W1377 PolarHBondContact O-N 2.77Å; W1377-D1379 VanDerWaalsContact C-N 3.27Å; W1377-D1379 PolarHBondContact O-N 2.9Å; W1377-Q1380 PolarHBondContact O-N 3.41Å; W1377-Q1380 VanDerWaalsContact O-N 3.16Å; W1377-C1381 WeakPolarHBondContact O-CB 3.36Å; W1377-C1381 PolarHBondContact O-N 3.26Å
1378	S	74.6	Confident	74.3	Confident	33 Å²	33	83.2 Å²	83.2	23%	0.231	45%	0.451	C	S	.	.	H	α-helix	trans	-45.4	-50.9	172.7	143.7	0	0	0	0	112	P1374 C1381 T1382	P1374-S1378 PolarHBondContact O-N 3.3Å; S1378-C1381 PolarHBondContact O-N 3.37Å; S1378-T1382 WeakPolarHBondContact O-CB 3.33Å; S1378-T1382 PolarHBondContact O-N 3.04Å; S1378-T1382 PolarHBondContact O-OG1 3.2Å
1379	D	73.5	Confident	74.2	Confident	110 Å²	110	82.7 Å²	82.7	59%	0.588	44%	0.439	S	S	*	.	H	α-helix	trans	-71.2	-38.5	-175.3	-62.1	13.4	0	0	0	110.8	W1377 T1382 D1383	W1377-D1379 VanDerWaalsContact C-N 3.27Å; W1377-D1379 PolarHBondContact O-N 2.9Å; D1379-T1382 WeakPolarHBondContact O-CB 3.42Å; D1379-T1382 PolarHBondContact O-N 3.12Å; D1379-D1383 PolarHBondContact O-N 2.87Å
1380	Q	73.1	Confident	73.8	Confident	127 Å²	127	81.9 Å²	81.9	59%	0.593	43%	0.431	S	S	*	.	H	α-helix	trans	-68.3	-38.8	177.9	-60.3	-179	59.6	0	0	111.9	D1376 W1377 F1384	D1376-Q1380 PolarHBondContact O-NE2 3.21Å; W1377-Q1380 PolarHBondContact O-N 3.41Å; W1377-Q1380 VanDerWaalsContact O-N 3.16Å; Q1380-F1384 VanDerWaalsContact O-CB 3.27Å; Q1380-F1384 WeakPolarHBondContact O-CB 3.36Å; Q1380-F1384 PolarHBondContact O-N 3.48Å
1381	C	77.5	Confident	72.9	Confident	20 Å²	20	84.5 Å²	84.5	14%	0.135	45%	0.453	C	S	.	.	H	α-helix	trans	-62.6	-45.5	170.6	177.6	0	0	0	0	110.6	C1370 F1373 W1377 S1378 F1384 M1385	C1370-C1381 WeakPolarHBondContact CA-SG 3.33Å; C1370-C1381 HydrophobicContact CB-CB 3.62Å; C1370-C1381 WeakPolarHBondContact CB-SG 3.45Å; C1370-C1381 WeakPolarHBondContact SG-CB 3.3Å; C1370-C1381 PolarHBondContact SG-O 2.89Å; C1370-C1381 CovalentContact SG-SG 2.05Å; C1370-C1381 PolarHBondContact SG-SG 3.47Å; F1373-C1381 HydrophobicContact CD2-CB 4.04Å; F1373-C1381 HydrophobicContact CE2-CB 4.43Å; W1377-C1381 WeakPolarHBondContact O-CB 3.36Å; W1377-C1381 PolarHBondContact O-N 3.26Å; S1378-C1381 PolarHBondContact O-N 3.37Å; C1381-F1384 PolarHBondContact O-N 3.41Å; C1381-M1385 WeakPolarHBondContact O-CB 3.35Å; C1381-M1385 VanDerWaalsContact O-CG 3.28Å; C1381-M1385 WeakPolarHBondContact O-CG 3.24Å; C1381-M1385 PolarHBondContact O-N 3.39Å
1382	T	80.5	Confident	72.5	Confident	46 Å²	46	83.1 Å²	83.1	28%	0.282	44%	0.44	S	S	.	.	H	α-helix	trans	-60.2	-49.2	179.8	-59.9	0	0	0	0	111.1	L1367 C1370 S1378 D1379 M1385 L1386	L1367-T1382 HydrophobicContact CD2-CG2 4.28Å; C1370-T1382 PolarHBondContact SG-N 3.33Å; C1370-T1382 VanDerWaalsContact SG-N 3.45Å; S1378-T1382 WeakPolarHBondContact O-CB 3.33Å; S1378-T1382 PolarHBondContact O-N 3.04Å; S1378-T1382 PolarHBondContact O-OG1 3.2Å; D1379-T1382 WeakPolarHBondContact O-CB 3.42Å; D1379-T1382 PolarHBondContact O-N 3.12Å; T1382-M1385 PolarHBondContact O-N 2.89Å; T1382-L1386 HydrophobicContact CG2-CD1 3.86Å; T1382-L1386 HydrophobicContact CG2-CG 4.47Å; T1382-L1386 WeakPolarHBondContact O-CB 3.43Å; T1382-L1386 VanDerWaalsContact O-CG 3.24Å; T1382-L1386 WeakPolarHBondContact O-CG 3.26Å; T1382-L1386 PolarHBondContact O-N 3.44Å
1383	D	76	Confident	71.9	Confident	110 Å²	110	79.2 Å²	79.2	59%	0.588	42%	0.42	S	S	*	.	H	α-helix	trans	-61.8	-43.6	176.2	-82.3	-15	0	0	0	112.1	D1379 M1387	D1379-D1383 PolarHBondContact O-N 2.87Å; D1383-M1387 VanDerWaalsContact O-CB 3.27Å; D1383-M1387 WeakPolarHBondContact O-CB 3.41Å; D1383-M1387 PolarHBondContact O-N 2.97Å
1384	F	74.9	Confident	71.5	Confident	120 Å²	120	79.5 Å²	79.5	53%	0.526	42%	0.421	S	S	.	.	H	α-helix	trans	-62.8	-46.9	178	178.6	-97.9	0	0	0	112	Q1380 C1381 M1387 Y1388	Q1380-F1384 VanDerWaalsContact O-CB 3.27Å; Q1380-F1384 WeakPolarHBondContact O-CB 3.36Å; Q1380-F1384 PolarHBondContact O-N 3.48Å; C1381-F1384 PolarHBondContact O-N 3.41Å; F1384-M1387 PolarHBondContact O-N 3.26Å; F1384-Y1388 AromaticContact CD2-CD2 3.57Å; F1384-Y1388 HydrophobicContact CD2-CD2 3.57Å; F1384-Y1388 AromaticContact CD2-CE2 3.88Å; F1384-Y1388 HydrophobicContact CD2-CE2 3.88Å; F1384-Y1388 AromaticContact CE2-CD2 3.55Å; F1384-Y1388 HydrophobicContact CE2-CD2 3.55Å; F1384-Y1388 AromaticContact CE2-CE2 3.89Å; F1384-Y1388 HydrophobicContact CE2-CE2 3.89Å; F1384-Y1388 HydrophobicContact CE2-CG 4.33Å; F1384-Y1388 HydrophobicContact CG-CD2 4.24Å; F1384-Y1388 HydrophobicContact CZ-CD2 4.22Å; F1384-Y1388 WeakPolarHBondContact O-CD2 3.31Å; F1384-Y1388 PolarHBondContact O-N 3Å
1385	M	76.5	Confident	70.9	Confident	46 Å²	46	79.3 Å²	79.3	23%	0.227	42%	0.418	C	S	.	.	H	α-helix	trans	-67.7	-43.1	179.4	-63.6	-51.6	-77.9	0	0	111.1	V1366 L1367 C1381 T1382 M1387 Y1388 F1389	V1366-M1385 HydrophobicContact CG1-CE 3.22Å; L1367-M1385 HydrophobicContact CD2-CB 3.93Å; C1381-M1385 WeakPolarHBondContact O-CB 3.35Å; C1381-M1385 VanDerWaalsContact O-CG 3.28Å; C1381-M1385 WeakPolarHBondContact O-CG 3.24Å; C1381-M1385 PolarHBondContact O-N 3.39Å; T1382-M1385 PolarHBondContact O-N 2.89Å; M1385-M1387 VanDerWaalsContact C-N 3.31Å; M1385-M1387 PolarHBondContact O-N 3.07Å; M1385-Y1388 PolarHBondContact O-N 3.33Å; M1385-F1389 HydrophobicContact CE-CD2 4.26Å; M1385-F1389 WeakPolarHBondContact O-CA 3.21Å; M1385-F1389 WeakPolarHBondContact O-CB 3.48Å; M1385-F1389 PolarHBondContact O-N 3.27Å
1386	L	72.1	Confident	70.6	Confident	82 Å²	82	78.4 Å²	78.4	43%	0.429	40%	0.404	S	S	.	.	H	α-helix	trans	-61.1	-37.6	174.9	-72.4	172.4	0	0	0	112.7	L1367 T1382	L1367-L1386 HydrophobicContact CD1-CD2 4.06Å; L1367-L1386 HydrophobicContact CD2-CD2 4.48Å; L1367-L1386 HydrophobicContact CD2-CG 4.27Å; T1382-L1386 HydrophobicContact CG2-CD1 3.86Å; T1382-L1386 HydrophobicContact CG2-CG 4.47Å; T1382-L1386 WeakPolarHBondContact O-CB 3.43Å; T1382-L1386 VanDerWaalsContact O-CG 3.24Å; T1382-L1386 WeakPolarHBondContact O-CG 3.26Å; T1382-L1386 PolarHBondContact O-N 3.44Å
1387	M	70.1	Confident	70.2	Confident	112 Å²	112	74.8 Å²	74.8	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-71.9	-44	179.7	-166.5	-177.1	-47.4	0	0	112.6	D1383 F1384 M1385	D1383-M1387 VanDerWaalsContact O-CB 3.27Å; D1383-M1387 WeakPolarHBondContact O-CB 3.41Å; D1383-M1387 PolarHBondContact O-N 2.97Å; F1384-M1387 PolarHBondContact O-N 3.26Å; M1385-M1387 VanDerWaalsContact C-N 3.31Å; M1385-M1387 PolarHBondContact O-N 3.07Å
1388	Y	72.3	Confident	69.4	Low	72 Å²	72	70.5 Å²	70.5	28%	0.282	38%	0.382	S	S	.	.	H	α-helix	trans	-104.1	-24.3	-169	-70.1	-74.9	0	0	0	115	E105 F1384 M1385 T1392	E105-Y1388 WeakPolarHBondContact CG-OH 3.42Å; E105-Y1388 PolarHBondContact OE1-OH 2.81Å; F1384-Y1388 AromaticContact CD2-CD2 3.57Å; F1384-Y1388 HydrophobicContact CD2-CD2 3.57Å; F1384-Y1388 AromaticContact CD2-CE2 3.88Å; F1384-Y1388 HydrophobicContact CD2-CE2 3.88Å; F1384-Y1388 AromaticContact CE2-CD2 3.55Å; F1384-Y1388 HydrophobicContact CE2-CD2 3.55Å; F1384-Y1388 AromaticContact CE2-CE2 3.89Å; F1384-Y1388 HydrophobicContact CE2-CE2 3.89Å; F1384-Y1388 HydrophobicContact CE2-CG 4.33Å; F1384-Y1388 HydrophobicContact CG-CD2 4.24Å; F1384-Y1388 HydrophobicContact CZ-CD2 4.22Å; F1384-Y1388 WeakPolarHBondContact O-CD2 3.31Å; F1384-Y1388 PolarHBondContact O-N 3Å; M1385-Y1388 PolarHBondContact O-N 3.33Å; Y1388-T1392 WeakPolarHBondContact O-CB 3.22Å; Y1388-T1392 PolarHBondContact O-N 3.23Å; Y1388-T1392 PolarHBondContact O-OG1 3.27Å
1389	F	73.9	Confident	68.3	Low	24 Å²	24	74.3 Å²	74.3	11%	0.105	40%	0.399	C	S	.	.	H	α-helix	trans	-63.7	-54.8	-170.6	-178.8	-107.2	0	0	0	112.9	I1362 E1363 V1366 M1385 A1391 T1392 M1393	I1362-F1389 HydrophobicContact CB-CZ 4.25Å; I1362-F1389 HydrophobicContact CG2-CE1 4.39Å; I1362-F1389 HydrophobicContact CG2-CZ 3.65Å; E1363-F1389 HydrophobicContact CB-CD1 4.19Å; E1363-F1389 HydrophobicContact CB-CE1 4.07Å; E1363-F1389 HydrophobicContact CG-CD1 4.5Å; V1366-F1389 HydrophobicContact CB-CE2 4.35Å; V1366-F1389 HydrophobicContact CG1-CD2 4.06Å; V1366-F1389 HydrophobicContact CG1-CE2 4.06Å; V1366-F1389 HydrophobicContact CG2-CE2 4.03Å; V1366-F1389 HydrophobicContact CG2-CZ 4.15Å; M1385-F1389 HydrophobicContact CE-CD2 4.26Å; M1385-F1389 WeakPolarHBondContact O-CA 3.21Å; M1385-F1389 WeakPolarHBondContact O-CB 3.48Å; M1385-F1389 PolarHBondContact O-N 3.27Å; F1389-A1391 VanDerWaalsContact C-N 3.32Å; F1389-A1391 PolarHBondContact O-N 2.87Å; F1389-T1392 PolarHBondContact O-N 2.7Å; F1389-M1393 HydrophobicContact CD1-CG 4.41Å; F1389-M1393 HydrophobicContact CD2-CG 3.95Å; F1389-M1393 HydrophobicContact CE1-CG 4.02Å; F1389-M1393 HydrophobicContact CE2-CG 3.51Å; F1389-M1393 HydrophobicContact CE2-SD 3.97Å; F1389-M1393 HydrophobicContact CG-CG 4.36Å; F1389-M1393 HydrophobicContact CZ-CG 3.54Å; F1389-M1393 HydrophobicContact CZ-SD 4.21Å; F1389-M1393 WeakPolarHBondContact O-CB 3.25Å; F1389-M1393 WeakPolarHBondContact O-CG 3.3Å; F1389-M1393 PolarHBondContact O-N 2.88Å
1390	I	68.4	Low	67.2	Low	59 Å²	59	75 Å²	75	30%	0.303	40%	0.397	S	S	.	.	H	α-helix	trans	-63.4	-40.3	-178	-61.2	177.9	0	0	0	110.9	K1394	I1390-K1394 HydrophobicContact CG2-CD 3.96Å; I1390-K1394 HydrophobicContact CG2-CG 4.44Å; I1390-K1394 VanDerWaalsContact O-CB 3.3Å; I1390-K1394 WeakPolarHBondContact O-CB 3.29Å; I1390-K1394 WeakPolarHBondContact O-CG 3.39Å; I1390-K1394 PolarHBondContact O-N 3.42Å
1391	A	62.7	Low	65.6	Low	56 Å²	56	71.6 Å²	71.6	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-42.4	177.1	0	0	0	0	0	112.1	F1389 T1395	F1389-A1391 VanDerWaalsContact C-N 3.32Å; F1389-A1391 PolarHBondContact O-N 2.87Å; A1391-T1395 VanDerWaalsContact O-CB 3.23Å; A1391-T1395 WeakPolarHBondContact O-CB 3.2Å; A1391-T1395 PolarHBondContact O-N 3.01Å; A1391-T1395 PolarHBondContact O-OG1 3.17Å
1392	T	68.3	Low	63.7	Low	73 Å²	73	71.9 Å²	71.9	45%	0.448	39%	0.387	S	S	.	.	H	α-helix	trans	-68.2	-49.1	178.5	-58.2	0	0	0	0	110.8	Y1388 F1389 K1394 T1395 V1396	Y1388-T1392 WeakPolarHBondContact O-CB 3.22Å; Y1388-T1392 PolarHBondContact O-N 3.23Å; Y1388-T1392 PolarHBondContact O-OG1 3.27Å; F1389-T1392 PolarHBondContact O-N 2.7Å; T1392-K1394 PolarHBondContact O-N 3.47Å; T1392-T1395 CarbonylContact O-C 3.6Å; T1392-T1395 WeakPolarHBondContact O-CA 3.14Å; T1392-T1395 WeakPolarHBondContact O-CB 3.33Å; T1392-T1395 PolarHBondContact O-N 2.94Å; T1392-T1395 VanDerWaalsContact O-N 3.08Å; T1392-V1396 HydrophobicContact CG2-CG2 4.32Å; T1392-V1396 WeakPolarHBondContact O-CG2 3.47Å; T1392-V1396 PolarHBondContact O-N 2.92Å
1393	M	67.5	Low	61.8	Low	46 Å²	46	77 Å²	77	23%	0.227	41%	0.405	C	S	.	.	H	α-helix	trans	-60.6	-46	177.7	-69.8	-60.5	-71.7	0	0	111.8	L1359 F1389 T1395 V1396 L1397	L1359-M1393 HydrophobicContact CD2-CB 4.23Å; F1389-M1393 HydrophobicContact CD1-CG 4.41Å; F1389-M1393 HydrophobicContact CD2-CG 3.95Å; F1389-M1393 HydrophobicContact CE1-CG 4.02Å; F1389-M1393 HydrophobicContact CE2-CG 3.51Å; F1389-M1393 HydrophobicContact CE2-SD 3.97Å; F1389-M1393 HydrophobicContact CG-CG 4.36Å; F1389-M1393 HydrophobicContact CZ-CG 3.54Å; F1389-M1393 HydrophobicContact CZ-SD 4.21Å; F1389-M1393 WeakPolarHBondContact O-CB 3.25Å; F1389-M1393 WeakPolarHBondContact O-CG 3.3Å; F1389-M1393 PolarHBondContact O-N 2.88Å; M1393-T1395 VanDerWaalsContact C-N 3.27Å; M1393-T1395 PolarHBondContact O-N 3.35Å; M1393-V1396 PolarHBondContact O-N 2.98Å; M1393-L1397 WeakPolarHBondContact O-CB 3.39Å; M1393-L1397 VanDerWaalsContact O-CG 3.23Å; M1393-L1397 WeakPolarHBondContact O-CG 3.33Å; M1393-L1397 PolarHBondContact O-N 3.21Å
1394	K	62	Low	59.8	Low	91 Å²	91	80.9 Å²	80.9	40%	0.396	41%	0.412	S	S	.	.	H	α-helix	trans	-65.7	-29	175.3	-68.9	-175.7	179.4	-174.8	0	112.2	D1356 L1359 I1390 T1392 A1398	D1356-K1394 IonicContact OD1-NZ 3.67Å; D1356-K1394 PolarHBondContact OD1-NZ 3.41Å; L1359-K1394 HydrophobicContact CD1-CD 4.38Å; L1359-K1394 HydrophobicContact CD1-CG 4.18Å; I1390-K1394 HydrophobicContact CG2-CD 3.96Å; I1390-K1394 HydrophobicContact CG2-CG 4.44Å; I1390-K1394 VanDerWaalsContact O-CB 3.3Å; I1390-K1394 WeakPolarHBondContact O-CB 3.29Å; I1390-K1394 WeakPolarHBondContact O-CG 3.39Å; I1390-K1394 PolarHBondContact O-N 3.42Å; T1392-K1394 PolarHBondContact O-N 3.47Å; K1394-A1398 WeakPolarHBondContact O-CB 3.21Å; K1394-A1398 PolarHBondContact O-N 3.36Å
1395	T	60.2	Low	57.9	Low	77 Å²	77	77.8 Å²	77.8	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-74	-41.9	173.5	-62	0	0	0	0	112.7	A1391 T1392 M1393 A1398 N1399	A1391-T1395 VanDerWaalsContact O-CB 3.23Å; A1391-T1395 WeakPolarHBondContact O-CB 3.2Å; A1391-T1395 PolarHBondContact O-N 3.01Å; A1391-T1395 PolarHBondContact O-OG1 3.17Å; T1392-T1395 CarbonylContact O-C 3.6Å; T1392-T1395 WeakPolarHBondContact O-CA 3.14Å; T1392-T1395 WeakPolarHBondContact O-CB 3.33Å; T1392-T1395 PolarHBondContact O-N 2.94Å; T1392-T1395 VanDerWaalsContact O-N 3.08Å; M1393-T1395 VanDerWaalsContact C-N 3.27Å; M1393-T1395 PolarHBondContact O-N 3.35Å; T1395-A1398 PolarHBondContact O-N 2.98Å; T1395-N1399 WeakPolarHBondContact O-CB 3.27Å; T1395-N1399 VanDerWaalsContact O-CG 3.24Å; T1395-N1399 PolarHBondContact O-N 3.35Å; T1395-N1399 PolarHBondContact O-ND2 3.21Å
1396	V	60.1	Low	55.8	Low	62 Å²	62	79.2 Å²	79.2	38%	0.376	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-50.8	174.8	167.9	0	0	0	0	109.9	T1392 M1393 A1398 N1399 F1400	T1392-V1396 HydrophobicContact CG2-CG2 4.32Å; T1392-V1396 WeakPolarHBondContact O-CG2 3.47Å; T1392-V1396 PolarHBondContact O-N 2.92Å; M1393-V1396 PolarHBondContact O-N 2.98Å; V1396-A1398 VanDerWaalsContact C-N 3.28Å; V1396-A1398 PolarHBondContact O-N 3.21Å; V1396-N1399 PolarHBondContact O-N 2.6Å; V1396-N1399 VanDerWaalsContact O-N 3.12Å; V1396-F1400 HydrophobicContact CG1-CD2 4.03Å; V1396-F1400 HydrophobicContact CG1-CE2 3.57Å; V1396-F1400 WeakPolarHBondContact O-CD2 3.43Å; V1396-F1400 PolarHBondContact O-N 3.19Å
1397	L	60	Low	53.9	Low	52 Å²	52	79.6 Å²	79.6	27%	0.272	42%	0.417	S	S	.	.	H	α-helix	trans	-58.4	-37.7	174.8	-68.6	167.7	0	0	0	112.4	M1353 L1359 M1393	M1353-L1397 HydrophobicContact CB-CD2 4.29Å; M1353-L1397 HydrophobicContact CE-CD2 3.97Å; L1359-L1397 HydrophobicContact CD2-CD1 4.39Å; M1393-L1397 WeakPolarHBondContact O-CB 3.39Å; M1393-L1397 VanDerWaalsContact O-CG 3.23Å; M1393-L1397 WeakPolarHBondContact O-CG 3.33Å; M1393-L1397 PolarHBondContact O-N 3.21Å
1398	A	53.5	Low	52.1	Low	63 Å²	63	82.9 Å²	82.9	52%	0.521	43%	0.429	S	S	.	.	H	α-helix	trans	-72.9	-31	176	0	0	0	0	0	113.7	K1394 T1395 V1396 F1400 D1401	K1394-A1398 WeakPolarHBondContact O-CB 3.21Å; K1394-A1398 PolarHBondContact O-N 3.36Å; T1395-A1398 PolarHBondContact O-N 2.98Å; V1396-A1398 VanDerWaalsContact C-N 3.28Å; V1396-A1398 PolarHBondContact O-N 3.21Å; A1398-F1400 VanDerWaalsContact C-N 3.32Å; A1398-D1401 PolarHBondContact O-N 3.28Å
1399	N	52.2	Low	50.2	Low	112 Å²	112	82.9 Å²	82.9	60%	0.599	44%	0.436	S	S	*	.	H	α-helix	trans	-74	-22.8	176.8	-74.7	-22.9	0	0	0	112.6	T1395 V1396 D1401	T1395-N1399 WeakPolarHBondContact O-CB 3.27Å; T1395-N1399 VanDerWaalsContact O-CG 3.24Å; T1395-N1399 PolarHBondContact O-N 3.35Å; T1395-N1399 PolarHBondContact O-ND2 3.21Å; V1396-N1399 PolarHBondContact O-N 2.6Å; V1396-N1399 VanDerWaalsContact O-N 3.12Å; N1399-D1401 VanDerWaalsContact C-N 3.27Å; N1399-D1401 PolarHBondContact O-N 2.81Å
1400	F	49.1	Very low	48.2	Very low	124 Å²	124	89.9 Å²	89.9	54%	0.544	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.4	169.5	-73.3	-62	0	0	0	114.4	I1168 V1396 A1398 A1402	I1168-F1400 HydrophobicContact CG2-CB 4.03Å; V1396-F1400 HydrophobicContact CG1-CD2 4.03Å; V1396-F1400 HydrophobicContact CG1-CE2 3.57Å; V1396-F1400 WeakPolarHBondContact O-CD2 3.43Å; V1396-F1400 PolarHBondContact O-N 3.19Å; A1398-F1400 VanDerWaalsContact C-N 3.32Å; F1400-A1402 PolarHBondContact O-N 2.96Å
1401	D	41.1	Very low	46.5	Very low	57 Å²	57	97.3 Å²	97.3	31%	0.305	49%	0.487	S	S	.	.	S	Bend	trans	-84.6	99.6	172.7	-169.2	33.4	0	0	0	111.5	N1169 A1398 N1399 K1403	N1169-D1401 PolarHBondContact ND2-OD1 3.16Å; A1398-D1401 PolarHBondContact O-N 3.28Å; N1399-D1401 VanDerWaalsContact C-N 3.27Å; N1399-D1401 PolarHBondContact O-N 2.81Å; D1401-K1403 PolarHBondContact O-N 2.87Å
1402	A	37.2	Very low	45	Very low	26 Å²	26	97.7 Å²	97.7	22%	0.215	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	22.7	-168.8	0	0	0	0	0	116.8	P1167 F1400 R1404 T1405	P1167-A1402 HydrophobicContact CB-CB 3.82Å; P1167-A1402 HydrophobicContact CG-CB 4.39Å; F1400-A1402 PolarHBondContact O-N 2.96Å; A1402-R1404 PolarHBondContact O-N 3.2Å; A1402-T1405 PolarHBondContact O-OG1 3.1Å
1403	K	39.2	Very low	43.1	Very low	153 Å²	153	101.8 Å²	101.8	67%	0.665	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.7	171.6	-77.8	176.4	178.9	166	0	114.2	D1401	D1401-K1403 PolarHBondContact O-N 2.87Å
1404	R	35.2	Very low	41.2	Very low	191 Å²	191	109.3 Å²	109.3	72%	0.721	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-14.4	-176.6	-130.8	174	-174.6	164.3	0.4	115	A1402	A1402-R1404 PolarHBondContact O-N 3.2Å
1405	T	35.1	Very low	39.6	Very low	55 Å²	55	113.8 Å²	113.8	34%	0.337	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.6	-25.9	-176.4	37.2	0	0	0	0	114.6	A1402 T1407 F1408 V1409	A1402-T1405 PolarHBondContact O-OG1 3.1Å; T1405-T1407 PolarHBondContact O-N 3.16Å; T1405-T1407 VanDerWaalsContact O-N 3.15Å; T1405-F1408 PolarHBondContact O-N 3.11Å; T1405-F1408 VanDerWaalsContact O-N 3.07Å; T1405-V1409 PolarHBondContact O-N 3.25Å
1406	D	31.8	Very low	38	Very low	77 Å²	77	119.4 Å²	119.4	41%	0.412	58%	0.577	S	S	.	*	H	α-helix	trans	-56.4	-30	177	-172.7	35.9	0	0	0	112.7	F1408 R1410	D1406-F1408 PolarHBondContact O-N 3.13Å; D1406-R1410 VanDerWaalsContact CG-NH1 3.31Å; D1406-R1410 PolarHBondContact O-N 2.98Å; D1406-R1410 IonicContact OD1-CZ 3.75Å; D1406-R1410 IonicContact OD1-NH1 3.49Å; D1406-R1410 PolarHBondContact OD1-NH1 2.85Å; D1406-R1410 IonicContact OD1-NH2 2.72Å; D1406-R1410 PolarHBondContact OD1-NH2 2.95Å; D1406-R1410 VanDerWaalsContact OD1-NH2 3.17Å; D1406-R1410 IonicContact OD2-CZ 3.18Å; D1406-R1410 VanDerWaalsContact OD2-CZ 3.25Å; D1406-R1410 IonicContact OD2-NH1 3.45Å; D1406-R1410 PolarHBondContact OD2-NH1 3.11Å; D1406-R1410 IonicContact OD2-NH2 3.35Å; D1406-R1410 PolarHBondContact OD2-NH2 3.07Å
1407	T	32.4	Very low	36.6	Very low	90 Å²	90	122.4 Å²	122.4	55%	0.552	60%	0.601	S	S	*	*	H	α-helix	trans	-66.9	-33.9	177.5	-39.3	0	0	0	0	113.4	T1405	T1405-T1407 PolarHBondContact O-N 3.16Å; T1405-T1407 VanDerWaalsContact O-N 3.15Å
1408	F	31.5	Very low	35	Very low	181 Å²	181	122 Å²	122	79%	0.794	61%	0.609	S	S	*	*	H	α-helix	trans	-77.1	-40	179	-106.7	-96.4	0	0	0	111.5	T1405 D1406 R1410 Y1411	T1405-F1408 PolarHBondContact O-N 3.11Å; T1405-F1408 VanDerWaalsContact O-N 3.07Å; D1406-F1408 PolarHBondContact O-N 3.13Å; F1408-R1410 PolarHBondContact O-N 3.49Å; F1408-Y1411 PolarHBondContact O-N 2.89Å
1409	V	34.1	Very low	33.8	Very low	71 Å²	71	124.8 Å²	124.8	43%	0.43	61%	0.612	S	S	.	*	H	α-helix	trans	-67.5	-36.1	-178.6	-176.7	0	0	0	0	111.9	T1405 Y1411 G1412	T1405-V1409 PolarHBondContact O-N 3.25Å; V1409-Y1411 VanDerWaalsContact C-N 3.3Å; V1409-Y1411 PolarHBondContact O-N 2.73Å; V1409-G1412 PolarHBondContact O-N 2.76Å
1410	R	31.5	Very low	32.8	Very low	171 Å²	171	125.7 Å²	125.7	65%	0.645	63%	0.625	S	S	*	*	H	α-helix	trans	-67	-23.3	178	-77.7	-153.7	-176.7	85.2	23.3	115	D1406 F1408	D1406-R1410 VanDerWaalsContact CG-NH1 3.31Å; D1406-R1410 PolarHBondContact O-N 2.98Å; D1406-R1410 IonicContact OD1-CZ 3.75Å; D1406-R1410 IonicContact OD1-NH1 3.49Å; D1406-R1410 PolarHBondContact OD1-NH1 2.85Å; D1406-R1410 IonicContact OD1-NH2 2.72Å; D1406-R1410 PolarHBondContact OD1-NH2 2.95Å; D1406-R1410 VanDerWaalsContact OD1-NH2 3.17Å; D1406-R1410 IonicContact OD2-CZ 3.18Å; D1406-R1410 VanDerWaalsContact OD2-CZ 3.25Å; D1406-R1410 IonicContact OD2-NH1 3.45Å; D1406-R1410 PolarHBondContact OD2-NH1 3.11Å; D1406-R1410 IonicContact OD2-NH2 3.35Å; D1406-R1410 PolarHBondContact OD2-NH2 3.07Å; F1408-R1410 PolarHBondContact O-N 3.49Å
1411	Y	31.6	Very low	31.8	Very low	215 Å²	215	123.1 Å²	123.1	84%	0.843	63%	0.633	S	S	*	*	H	α-helix	trans	-87.9	-10.4	180	-93.6	-86.2	0	0	0	114.2	F1408 V1409	F1408-Y1411 PolarHBondContact O-N 2.89Å; V1409-Y1411 VanDerWaalsContact C-N 3.3Å; V1409-Y1411 PolarHBondContact O-N 2.73Å
1412	G	31.2	Very low	31.2	Very low	64 Å²	64	127.6 Å²	127.6	66%	0.66	65%	0.653	S	S	*	*	S	Bend	trans	-96.5	-5.8	-175.8	0	0	0	0	0	116.9	V1409	V1409-G1412 PolarHBondContact O-N 2.76Å
1413	Y	28.1	Very low	31	Very low	160 Å²	160	132.6 Å²	132.6	63%	0.627	69%	0.686	S	S	*	*	S	Bend	trans	-122.5	10	-162.2	-113.5	-88.1	0	0	0	117.2
1414	F	28.8	Very low	30.5	Very low	204 Å²	204	128.6 Å²	128.6	90%	0.895	69%	0.688	S	S	*	*			trans	-116.7	48.2	-179.9	-98.6	-83.8	0	0	0	114.4
1415	Q	27.2	Very low	30.1	Very low	185 Å²	185	127.7 Å²	127.7	86%	0.864	70%	0.698	S	S	*	*	S	Bend	trans	-136.2	83.4	162	-79.4	-165	-8.3	0	0	111.7
1416	K	26.3	Very low	29.8	Very low	194 Å²	194	129.2 Å²	129.2	84%	0.843	72%	0.716	S	S	*	*	S	Bend	trans	158.8	87.6	147.5	-89.6	161	-178.4	174.2	0	112.3
1417	S	31.4	Very low	29.6	Very low	126 Å²	126	131.9 Å²	131.9	88%	0.881	74%	0.735	S	S	*	*			trans	177	118.7	139.8	37	0	0	0	0	108.7
1418	G	27.5	Very low	29.4	Very low	43 Å²	43	134.5 Å²	134.5	44%	0.443	75%	0.746	S	S	.	*			trans	-118.3	-178.7	165.2	0	0	0	0	0	109.9
1419	Q	28.2	Very low	29.2	Very low	121 Å²	121	132.4 Å²	132.4	57%	0.565	75%	0.752	S	S	*	*			trans	97.4	138.9	169.1	-43.1	-139.9	-30.7	0	0	117.5	V1067 L1068	V1067-Q1419 WeakPolarHBondContact O-CG 3.22Å; V1067-Q1419 PolarHBondContact O-NE2 3.04Å; L1068-Q1419 HydrophobicContact CB-CG 4.37Å; L1068-Q1419 HydrophobicContact CD1-CB 3.86Å; L1068-Q1419 HydrophobicContact CD1-CG 3.72Å; L1068-Q1419 HydrophobicContact CG-CG 4.1Å
1420	C	29.7	Very low	28.8	Very low	132 Å²	132	137.8 Å²	137.8	89%	0.892	77%	0.77	S	S	*	*			trans	64.4	134.8	-171.7	-59	0	0	0	0	116.2
1421	G	28.9	Very low	28.5	Very low	69 Å²	69	134.2 Å²	134.2	71%	0.711	77%	0.771	S	S	*	*			cis	153.5	77.6	-11.2	0	0	0	0	0	116.8
1422	Q	29.2	Very low	28.3	Very low	152 Å²	152	132.7 Å²	132.7	71%	0.71	77%	0.772	S	S	*	*			trans	66.2	149.3	160.4	-54.8	-177.2	3.8	0	0	118.9
1423	S	31.2	Very low	28.2	Very low	131 Å²	131	141.7 Å²	141.7	92%	0.916	79%	0.786	S	S	*	*			trans	64.6	146.9	-177.5	73.5	0	0	0	0	116.7
1424	G	28.9	Very low	28.2	Very low	69 Å²	69	145.7 Å²	145.7	71%	0.711	80%	0.8	S	S	*	*			cis	169.1	113.7	-12.3	0	0	0	0	0	114.3
1425	D	27.9	Very low	28.2	Very low	172 Å²	172	143.6 Å²	143.6	92%	0.92	79%	0.793	S	S	*	*			trans	59.7	174.5	174.6	-79.8	-36.9	0	0	0	118
1426	A	28.6	Very low	28.5	Very low	87 Å²	87	141.6 Å²	141.6	72%	0.719	79%	0.793	S	S	*	*			trans	70.2	122.8	-173.2	0	0	0	0	0	113.7
1427	T	27	Very low	28.6	Very low	132 Å²	132	138.9 Å²	138.9	81%	0.81	79%	0.788	S	S	*	*			cis	53.4	132.2	32.7	56.2	0	0	0	0	116.1
1428	D	28.3	Very low	28.6	Very low	146 Å²	146	142 Å²	142	78%	0.781	79%	0.789	S	S	*	*			trans	63.4	93.7	-175.6	-64.7	-28.2	0	0	0	117.4
1429	C	27.2	Very low	28.5	Very low	137 Å²	137	143.6 Å²	143.6	93%	0.926	80%	0.798	S	S	*	*			trans	-140.4	102.4	132.5	-161.3	0	0	0	0	108.8
1430	F	25.3	Very low	28.8	Very low	183 Å²	183	145.7 Å²	145.7	80%	0.803	82%	0.822	S	S	*	*			trans	-84.6	179.1	-171.8	-126.6	-101	0	0	0	112.6
1431	S	26.5	Very low	28.8	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	82%	0.818	S	S	*	*			trans	-41.9	139.9	175.6	55.6	0	0	0	0	117.3
1432	Q	27.1	Very low	28.8	Very low	183 Å²	183	150.4 Å²	150.4	86%	0.855	82%	0.824	S	S	*	*			trans	-157	150.9	140.4	-111.5	173.2	3.7	0	0	110.7
1433	R	29.7	Very low	28.7	Very low	254 Å²	254	150.3 Å²	150.3	96%	0.958	83%	0.83	S	S	*	*			trans	98.7	70.3	-173.2	-59.5	-177.3	-178.3	-151.1	-2	116.8
1434	R	27.5	Very low	28.6	Very low	243 Å²	243	151.5 Å²	151.5	92%	0.917	83%	0.825	S	S	*	*			trans	-143.6	100	150.7	-100.9	-169.2	169.8	-144.6	-4.6	108.6
1435	Q	28.9	Very low	28.6	Very low	160 Å²	160	156.6 Å²	156.6	75%	0.748	83%	0.832	S	S	*	*			trans	168.2	104.4	145.4	-97.7	170.4	-1.5	0	0	110.8
1436	T	32.1	Very low	28.6	Very low	143 Å²	143	155.6 Å²	155.6	88%	0.877	83%	0.826	S	S	*	*			trans	-138.5	136.4	136.6	45.9	0	0	0	0	105
1437	N	28.7	Very low	28.6	Very low	137 Å²	137	160.5 Å²	160.5	73%	0.733	83%	0.834	S	S	*	*			trans	-86.3	-178.5	-170.7	-69.5	-32.1	0	0	0	112.4
1438	E	31.5	Very low	28.7	Very low	192 Å²	192	162.7 Å²	162.7	90%	0.897	84%	0.836	S	S	*	*			trans	74.1	133.5	166.1	-55.2	166	-153.8	0	0	116
1439	A	26.8	Very low	28.8	Very low	77 Å²	77	164.1 Å²	164.1	64%	0.636	84%	0.841	S	S	*	*			cis	-171.5	169.1	-20	0	0	0	0	0	108.1
1440	P	34	Very low	28.9	Very low	164 Å²	164	166.5 Å²	166.5	100%	1.065	83%	0.833	S	S	*	*			cis	-89.6	0	-37.3	38.1	-31.3	0	0	0	112.7

Retrieved 1,440 of 1,440 residues in 3443 ms (Link to these results)

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