A0A087XQW7_POEFO Loading...

Si:dkey-89b17.4

AlphaFold DB , UniProt , Accession A0A087XQW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,247 aa.

						>A0A087XQW7_POEFO|A0A087XQW7
MAMHDMSRAKGFPCKECDMVCPSTPSLLEHMKAHYQQEESGRFECEQCGRIYKHAASLANHKKSHEVGSFQCPVCTRTLPNAVALKNHLRIHTLSPSSAHAEEENEEAPEEAGHDERSFGLAQDLSDGFGRSHLNNSGVGHSVLPGHETDDHGKKGSPESDDAWDRPFKCDQCDRTYRHHGSLVNHKKCHQQGTFKCSVCFKQFSNLAALNSHERTHSKFKTPGATMVSSGAGSSLHDSERSAGSQSSQSDESASCFCHLCQIALPNKADFQEHILLHNTASPSLGLPRSFPGIMPHNLSAVRSPAYTPALGDPLPLPPLPADKRGPYDPIMGPPVNNPIYTCAYCGAGHPDLETLKVHYLTHDPHPPSHSQDSSILNSDTLSSGSQGSVASPSGGRVPQANSPDDEERRFKCGECGKSYRHAGSLVNHKRCHQTGHYQCTICCKQYPHLAALHSHLRSHKGRPSNQPIGSDSSDWLSPEPLTLDSQQSYVQEGNTTNTPISLPGNLGDSSHFVPDGGHSSGLDSLEFHDRFDGSSLSQSSSTHRQADRHVCADCGEMYGDVSGIKSHMCPRRGQQQQPPPQQQQSNMSNGFMGNMNYHSSSGTSIPSGSSSSIKEGSSQRPYSQSGGKRMGSNDKDDDDDGEVYQCSVCGNHYASLRALRSHLRSHANNPIGAGPSNLDQDWRMICSTCGQSFSRKQDLLNHQLIHGPQRPDGQQQGITGGSANGSDKMDGRNHICVDCGMFFADQHHLVTHLCPGKNRGMNKSGLNGGKGMSGGEGVAGASGDGRRPMVDQSDKPHKCDQCGRGYRHPCSLLNHKKSHKTGVFRCLVCQKRYYNLLALKNHQRTHFDLKRHKCEECGKAFKIQKQLINHLRLHEEHRAKGLIRTGPNGSRFPQPGPSQMQTMRAESSKGPLMGVKYSHQGFKKPYSSAGTSRPQKFDPAESGRRPFACEECGKTYRHAGSLANHKNLHKIGEYHCNVCNSTYPNRLAMKNHLRLHFAQKKHNCQECGKGFRTQRQLATHTTAGLCKGPQGPGAQMDFECDGCCEGFATADELSAHDCPAQHLPSSSSTSSSANISMERSSVDMDSDERPYACDLCSCTYKHASSLLNHKHTHKTGNFRCNFCDKPYTNYMALRNHMRIHTQRKKHICHTCGKAFRLARFLRNHQKVHEEGATPFGCPSCGKSFQGRSGLARHRCGDNQVGMEVRRKAAAPPGEGEECRYTYMISNPASLGPYACRNSDFSEVWTD
					

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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	32.3	Very low	43.7	Very low	244 Å²	244	149.5 Å²	149.5	100%	1.202	79%	0.794	S	S	*	*				0	157.5	0	-76.6	160.9	168.6	0	0	109.7
2	A	34.6	Very low	46.1	Very low	81 Å²	81	145 Å²	145	67%	0.669	76%	0.762	S	S	*	*			trans	-51.4	154.4	178.3	0	0	0	0	0	112.5
3	M	39.7	Very low	48.1	Very low	181 Å²	181	139.3 Å²	139.3	89%	0.892	74%	0.739	S	S	*	*			cis	56.1	71.1	10.7	64.7	176.2	-81.7	0	0	118
4	H	39.6	Very low	50.3	Low	178 Å²	178	129.4 Å²	129.4	82%	0.824	69%	0.686	S	S	*	*			trans	-141.5	122.7	151.7	-118.4	-101.4	0	0	0	108.7
5	D	36.3	Very low	51.6	Low	137 Å²	137	133.9 Å²	133.9	73%	0.733	70%	0.698	S	S	*	*			trans	167.6	113.8	130.2	-157.9	-4.9	0	0	0	110.8
6	M	36.5	Very low	52.5	Low	177 Å²	177	131.6 Å²	131.6	87%	0.872	68%	0.682	S	S	*	*			trans	-151.8	0.2	178	-94.8	-86.8	66.9	0	0	113.7	R8	M6-R8 PolarHBondContact O-N 3.03Å
7	S	41.5	Very low	53.9	Low	107 Å²	107	127.3 Å²	127.3	75%	0.748	67%	0.666	S	S	*	*			trans	-86.3	61.8	-165.9	34.7	0	0	0	0	113.9
8	R	47.8	Very low	54.7	Low	228 Å²	228	126.9 Å²	126.9	86%	0.86	66%	0.664	S	S	*	*			trans	-147.2	56.6	170.9	-146.8	173.1	-167	-178	5.3	116	M6	M6-R8 PolarHBondContact O-N 3.03Å
9	A	46.5	Very low	55.6	Low	105 Å²	105	125.8 Å²	125.8	87%	0.868	66%	0.657	S	S	*	*			trans	-87.1	114.6	166.8	0	0	0	0	0	110.9	G11	A9-G11 PolarHBondContact O-N 2.98Å
10	K	58	Low	56.5	Low	180 Å²	180	124.3 Å²	124.3	78%	0.783	65%	0.653	S	S	*	*			trans	-79.1	116.1	169.4	-69.3	-170.7	175.4	-168.4	0	109.6
11	G	67.8	Low	57.5	Low	27 Å²	27	118.7 Å²	118.7	28%	0.278	62%	0.624	S	S	.	*			trans	-75.3	177.6	166.3	0	0	0	0	0	112.5	A9 C21	A9-G11 PolarHBondContact O-N 2.98Å; G11-C21 WeakPolarHBondContact CA-O 3.3Å
12	F	73.2	Confident	59.3	Low	95 Å²	95	111.5 Å²	111.5	42%	0.417	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.9	110.6	-178.5	-61.5	-94	0	0	0	109.5	C21 T24 L27	F12-C21 PolarHBondContact N-O 2.6Å; F12-C21 PolarHBondContact O-N 3.44Å; F12-T24 HydrophobicContact CD1-CG2 3.68Å; F12-T24 HydrophobicContact CD2-CG2 3.84Å; F12-T24 HydrophobicContact CE1-CG2 3.58Å; F12-T24 HydrophobicContact CE2-CG2 3.75Å; F12-T24 HydrophobicContact CG-CG2 3.82Å; F12-T24 HydrophobicContact CZ-CG2 3.62Å; F12-L27 HydrophobicContact CB-CD2 3.73Å
13	P	71.6	Confident	61.2	Low	71 Å²	71	110 Å²	110	46%	0.461	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.7	142.5	178	27.5	-33.5	0	0	0	112.2	M19 V20	P13-M19 WeakPolarHBondContact CA-O 3.41Å; P13-V20 HydrophobicContact CB-CG2 4.29Å
14	C	78.3	Confident	62.9	Low	0 Å²	0	105.3 Å²	105.3	0%	0	56%	0.562	C	S	.	*			trans	-80.7	122.1	168.9	-173.8	0	0	0	0	110.9	E16 C17 D18 M19 L27 H30	C14-E16 PolarHBondContact O-N 3.4Å; C14-C17 PolarHBondContact O-N 2.94Å; C14-D18 WeakPolarHBondContact O-CA 3.23Å; C14-D18 PolarHBondContact O-N 3.45Å; C14-M19 PolarHBondContact N-O 3.46Å; C14-L27 HydrophobicContact CB-CD1 3.58Å; C14-H30 WeakPolarHBondContact CB-NE2 3.39Å; C14-H30 PolarHBondContact SG-CD2 2.88Å; C14-H30 PolarHBondContact SG-NE2 2.97Å
15	K	70.9	Confident	64.7	Low	198 Å²	198	100.9 Å²	100.9	86%	0.861	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-4	-176.6	-69.6	-165	169.8	-158.4	0	115.8
16	E	65.9	Low	66.5	Low	96 Å²	96	96.5 Å²	96.5	45%	0.449	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-9.5	-175.6	-66.1	169.4	-145.3	0	0	112.8	C14 H34	C14-E16 PolarHBondContact O-N 3.4Å; E16-H34 WeakPolarHBondContact OE2-CB 3.43Å; E16-H34 IonicContact OE2-CE1 2.63Å; E16-H34 IonicContact OE2-CG 3.21Å; E16-H34 IonicContact OE2-ND1 2.63Å; E16-H34 PolarHBondContact OE2-ND1 2.87Å
17	C	75.3	Confident	68.7	Low	59 Å²	59	89.2 Å²	89.2	40%	0.399	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.3	9.5	-179.2	63.9	0	0	0	0	114.4	C14 M19 H30	C14-C17 PolarHBondContact O-N 2.94Å; C17-M19 PolarHBondContact O-N 2.96Å; C17-H30 VanDerWaalsContact SG-CE1 3.57Å; C17-H30 PolarHBondContact SG-NE2 3.11Å
18	D	68.6	Low	70.5	Confident	120 Å²	120	90 Å²	90	64%	0.642	49%	0.489	S	S	*	.			trans	50.6	10.5	-176.2	-69.7	-52.8	0	0	0	117.8	C14 V20	C14-D18 WeakPolarHBondContact O-CA 3.23Å; C14-D18 PolarHBondContact O-N 3.45Å; D18-V20 PolarHBondContact O-N 3.46Å; D18-V20 VanDerWaalsContact O-N 3.15Å
19	M	71.4	Confident	72	Confident	106 Å²	106	86.1 Å²	86.1	52%	0.522	48%	0.48	S	S	.	.			trans	-59.1	118.1	176.3	-169.7	179.1	-65.4	0	0	111.4	P13 C14 C17 C21	P13-M19 WeakPolarHBondContact CA-O 3.41Å; C14-M19 PolarHBondContact N-O 3.46Å; C17-M19 PolarHBondContact O-N 2.96Å; M19-C21 PolarHBondContact O-N 2.78Å
20	V	73.6	Confident	73.7	Confident	95 Å²	95	82.8 Å²	82.8	58%	0.576	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	91.2	-175.7	-176.6	0	0	0	0	110.8	P13 D18	P13-V20 HydrophobicContact CB-CG2 4.29Å; D18-V20 PolarHBondContact O-N 3.46Å; D18-V20 VanDerWaalsContact O-N 3.15Å
21	C	78.7	Confident	74.6	Confident	7 Å²	7	76.5 Å²	76.5	5%	0.047	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.2	178.1	-60.1	0	0	0	0	111.3	G11 F12 M19 S23 L27	G11-C21 WeakPolarHBondContact CA-O 3.3Å; F12-C21 PolarHBondContact N-O 2.6Å; F12-C21 PolarHBondContact O-N 3.44Å; M19-C21 PolarHBondContact O-N 2.78Å; C21-S23 PolarHBondContact O-N 3.34Å; C21-S23 VanDerWaalsContact O-N 3.1Å; C21-L27 HydrophobicContact CB-CB 3.86Å
22	P	69.1	Low	75.1	Confident	94 Å²	94	81 Å²	81	61%	0.61	43%	0.432	S	S	*	.	S	Bend	trans	-71.5	-7	-174.4	28.2	-35.7	0	0	0	114.4
23	S	75.4	Confident	75.1	Confident	50 Å²	50	78.8 Å²	78.8	35%	0.35	43%	0.432	S	S	.	.	S	Bend	trans	-157.6	154.8	176.5	64.8	0	0	0	0	112.1	C21 P25 S26 L27	C21-S23 PolarHBondContact O-N 3.34Å; C21-S23 VanDerWaalsContact O-N 3.1Å; S23-P25 VanDerWaalsContact C-CD 3.46Å; S23-S26 WeakPolarHBondContact O-CB 3.32Å; S23-S26 PolarHBondContact O-N 2.97Å; S23-S26 VanDerWaalsContact O-N 3.14Å; S23-L27 PolarHBondContact O-N 3.22Å
24	T	75.1	Confident	75.2	Confident	81 Å²	81	77.3 Å²	77.3	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-61.8	-30.8	-179.7	52.6	0	0	0	0	115.6	F12 L28	F12-T24 HydrophobicContact CD1-CG2 3.68Å; F12-T24 HydrophobicContact CD2-CG2 3.84Å; F12-T24 HydrophobicContact CE1-CG2 3.58Å; F12-T24 HydrophobicContact CE2-CG2 3.75Å; F12-T24 HydrophobicContact CG-CG2 3.82Å; F12-T24 HydrophobicContact CZ-CG2 3.62Å; T24-L28 WeakPolarHBondContact O-CB 3.43Å; T24-L28 PolarHBondContact O-N 2.65Å
25	P	76.6	Confident	74.6	Confident	86 Å²	86	83.7 Å²	83.7	56%	0.558	44%	0.444	S	S	*	.	H	α-helix	trans	-66.6	-39.1	171.9	-21.1	34.8	0	0	0	112.3	S23 L28 E29	S23-P25 VanDerWaalsContact C-CD 3.46Å; P25-L28 PolarHBondContact O-N 3.09Å; P25-E29 WeakPolarHBondContact O-CB 3.28Å; P25-E29 PolarHBondContact O-N 2.9Å
26	S	74.5	Confident	74.1	Confident	44 Å²	44	79.4 Å²	79.4	31%	0.308	43%	0.427	S	S	.	.	H	α-helix	trans	-67.1	-39.3	177	172	0	0	0	0	111.5	S23 E29 H30	S23-S26 WeakPolarHBondContact O-CB 3.32Å; S23-S26 PolarHBondContact O-N 2.97Å; S23-S26 VanDerWaalsContact O-N 3.14Å; S26-E29 PolarHBondContact O-N 3.06Å; S26-H30 VanDerWaalsContact O-CB 3.28Å; S26-H30 WeakPolarHBondContact O-CB 3.32Å; S26-H30 PolarHBondContact O-N 2.99Å
27	L	82	Confident	73.7	Confident	25 Å²	25	81.5 Å²	81.5	13%	0.131	44%	0.436	C	S	.	.	H	α-helix	trans	-61.2	-43.7	169.4	176.7	56.6	0	0	0	111.9	F12 C14 C21 S23 E29 H30 M31	F12-L27 HydrophobicContact CB-CD2 3.73Å; C14-L27 HydrophobicContact CB-CD1 3.58Å; C21-L27 HydrophobicContact CB-CB 3.86Å; S23-L27 PolarHBondContact O-N 3.22Å; L27-E29 VanDerWaalsContact C-N 3.33Å; L27-E29 PolarHBondContact O-N 2.9Å; L27-H30 PolarHBondContact O-N 3.44Å; L27-M31 HydrophobicContact CD1-CG 3.91Å; L27-M31 HydrophobicContact CD1-SD 4.19Å; L27-M31 HydrophobicContact CG-CG 4.37Å; L27-M31 HydrophobicContact CG-SD 4.2Å; L27-M31 WeakPolarHBondContact O-CB 3.27Å; L27-M31 WeakPolarHBondContact O-CG 3.34Å; L27-M31 PolarHBondContact O-N 3.35Å
28	L	80.2	Confident	72.8	Confident	123 Å²	123	82.4 Å²	82.4	64%	0.644	44%	0.435	S	S	*	.	H	α-helix	trans	-69.1	-31.9	-178.3	-165.1	69.5	0	0	0	112.6	T24 P25 K32	T24-L28 WeakPolarHBondContact O-CB 3.43Å; T24-L28 PolarHBondContact O-N 2.65Å; P25-L28 PolarHBondContact O-N 3.09Å; L28-K32 VanDerWaalsContact O-CB 3.25Å; L28-K32 WeakPolarHBondContact O-CB 3.43Å; L28-K32 PolarHBondContact O-N 2.83Å
29	E	79.9	Confident	72.2	Confident	146 Å²	146	82.5 Å²	82.5	68%	0.682	43%	0.432	S	S	*	.	H	α-helix	trans	-73.2	-39.8	173.9	-172.5	154.8	-136.1	0	0	111.8	P25 S26 L27 K32 A33	P25-E29 WeakPolarHBondContact O-CB 3.28Å; P25-E29 PolarHBondContact O-N 2.9Å; S26-E29 PolarHBondContact O-N 3.06Å; L27-E29 VanDerWaalsContact C-N 3.33Å; L27-E29 PolarHBondContact O-N 2.9Å; E29-K32 WeakPolarHBondContact O-CB 3.49Å; E29-K32 PolarHBondContact O-N 3.23Å; E29-A33 PolarHBondContact O-N 3.31Å
30	H	81.1	Confident	71.3	Confident	36 Å²	36	82.3 Å²	82.3	17%	0.167	44%	0.441	C	S	.	.	H	α-helix	trans	-65.4	-47.1	172.6	167.3	77.5	0	0	0	112.6	C14 C17 S26 L27 K32 A33 H34	C14-H30 WeakPolarHBondContact CB-NE2 3.39Å; C14-H30 PolarHBondContact SG-CD2 2.88Å; C14-H30 PolarHBondContact SG-NE2 2.97Å; C17-H30 VanDerWaalsContact SG-CE1 3.57Å; C17-H30 PolarHBondContact SG-NE2 3.11Å; S26-H30 VanDerWaalsContact O-CB 3.28Å; S26-H30 WeakPolarHBondContact O-CB 3.32Å; S26-H30 PolarHBondContact O-N 2.99Å; L27-H30 PolarHBondContact O-N 3.44Å; H30-K32 PolarHBondContact O-N 3.25Å; H30-A33 WeakPolarHBondContact O-CB 3.43Å; H30-A33 PolarHBondContact O-N 3.44Å; H30-H34 AromaticContact CE1-CD2 3.75Å; H30-H34 AromaticContact CE1-NE2 3.56Å; H30-H34 AromaticContact NE2-CD2 3.77Å; H30-H34 AromaticContact NE2-NE2 3.56Å; H30-H34 PolarHBondContact O-N 3.39Å; H30-H34 VanDerWaalsContact O-N 3.13Å
31	M	77.2	Confident	70.4	Confident	47 Å²	47	79.1 Å²	79.1	23%	0.232	43%	0.427	C	S	.	.	H	α-helix	trans	-59.8	-34.2	171.4	-74.2	-176	73.6	0	0	111.8	L27 A33 H34 Y35	L27-M31 HydrophobicContact CD1-CG 3.91Å; L27-M31 HydrophobicContact CD1-SD 4.19Å; L27-M31 HydrophobicContact CG-CG 4.37Å; L27-M31 HydrophobicContact CG-SD 4.2Å; L27-M31 WeakPolarHBondContact O-CB 3.27Å; L27-M31 WeakPolarHBondContact O-CG 3.34Å; L27-M31 PolarHBondContact O-N 3.35Å; M31-A33 VanDerWaalsContact C-N 3.32Å; M31-A33 PolarHBondContact O-N 3.25Å; M31-H34 WeakPolarHBondContact O-CB 3.27Å; M31-H34 PolarHBondContact O-N 3.09Å; M31-Y35 HydrophobicContact CE-CE2 4.38Å; M31-Y35 WeakPolarHBondContact O-CD2 3.47Å; M31-Y35 PolarHBondContact O-N 2.84Å
32	K	78.7	Confident	69.8	Low	121 Å²	121	84.2 Å²	84.2	53%	0.526	45%	0.445	S	S	.	.	H	α-helix	trans	-66.5	-34.1	174.8	-173.4	-172.9	171.1	-153.1	0	111.9	L28 E29 H30 Y35 Q36	L28-K32 VanDerWaalsContact O-CB 3.25Å; L28-K32 WeakPolarHBondContact O-CB 3.43Å; L28-K32 PolarHBondContact O-N 2.83Å; E29-K32 WeakPolarHBondContact O-CB 3.49Å; E29-K32 PolarHBondContact O-N 3.23Å; H30-K32 PolarHBondContact O-N 3.25Å; K32-Y35 PolarHBondContact O-N 3.5Å; K32-Q36 VanDerWaalsContact O-CG 3.3Å; K32-Q36 WeakPolarHBondContact O-CG 3.26Å; K32-Q36 PolarHBondContact O-N 2.76Å
33	A	72.6	Confident	69.8	Low	49 Å²	49	84 Å²	84	41%	0.405	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-41.9	171.5	0	0	0	0	0	111.7	E29 H30 M31 Q36 Q37	E29-A33 PolarHBondContact O-N 3.31Å; H30-A33 WeakPolarHBondContact O-CB 3.43Å; H30-A33 PolarHBondContact O-N 3.44Å; M31-A33 VanDerWaalsContact C-N 3.32Å; M31-A33 PolarHBondContact O-N 3.25Å; A33-Q36 PolarHBondContact O-N 2.98Å; A33-Q37 PolarHBondContact O-N 3.21Å
34	H	74.2	Confident	69.6	Low	41 Å²	41	86.5 Å²	86.5	19%	0.19	44%	0.441	C	S	.	.	H	α-helix	trans	-55.6	-50.2	170.3	-88.6	-118.2	0	0	0	112	E16 H30 M31 Q36 Q37 E38	E16-H34 WeakPolarHBondContact OE2-CB 3.43Å; E16-H34 IonicContact OE2-CE1 2.63Å; E16-H34 IonicContact OE2-CG 3.21Å; E16-H34 IonicContact OE2-ND1 2.63Å; E16-H34 PolarHBondContact OE2-ND1 2.87Å; H30-H34 AromaticContact CE1-CD2 3.75Å; H30-H34 AromaticContact CE1-NE2 3.56Å; H30-H34 AromaticContact NE2-CD2 3.77Å; H30-H34 AromaticContact NE2-NE2 3.56Å; H30-H34 PolarHBondContact O-N 3.39Å; H30-H34 VanDerWaalsContact O-N 3.13Å; M31-H34 WeakPolarHBondContact O-CB 3.27Å; M31-H34 PolarHBondContact O-N 3.09Å; H34-Q36 VanDerWaalsContact C-N 3.27Å; H34-Q36 PolarHBondContact O-N 3.36Å; H34-Q37 PolarHBondContact O-N 3.38Å; H34-Q37 VanDerWaalsContact O-N 3.14Å; H34-E38 PolarHBondContact O-N 3.29Å
35	Y	64.9	Low	69.6	Low	134 Å²	134	82.7 Å²	82.7	53%	0.525	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-32.2	176	-81.2	-67.8	0	0	0	113.7	M31 K32 E39	M31-Y35 HydrophobicContact CE-CE2 4.38Å; M31-Y35 WeakPolarHBondContact O-CD2 3.47Å; M31-Y35 PolarHBondContact O-N 2.84Å; K32-Y35 PolarHBondContact O-N 3.5Å; Y35-E39 PolarHBondContact O-N 3.25Å
36	Q	61	Low	69.3	Low	108 Å²	108	86.2 Å²	86.2	51%	0.505	43%	0.427	S	S	.	.	H	α-helix	trans	-76.6	-29.8	176.6	-70.4	-175.9	-69.3	0	0	112.4	K32 A33 H34 E39 S40	K32-Q36 VanDerWaalsContact O-CG 3.3Å; K32-Q36 WeakPolarHBondContact O-CG 3.26Å; K32-Q36 PolarHBondContact O-N 2.76Å; A33-Q36 PolarHBondContact O-N 2.98Å; H34-Q36 VanDerWaalsContact C-N 3.27Å; H34-Q36 PolarHBondContact O-N 3.36Å; Q36-E39 PolarHBondContact O-N 3.08Å; Q36-S40 PolarHBondContact O-N 2.86Å; Q36-S40 VanDerWaalsContact O-N 3.14Å
37	Q	57	Low	68.6	Low	139 Å²	139	90 Å²	90	65%	0.65	44%	0.44	S	S	*	.	H	α-helix	trans	-68.8	-43.7	167.5	-75.1	-176.8	-36	0	0	111.7	A33 H34 E39 S40 G41	A33-Q37 PolarHBondContact O-N 3.21Å; H34-Q37 PolarHBondContact O-N 3.38Å; H34-Q37 VanDerWaalsContact O-N 3.14Å; Q37-E39 PolarHBondContact O-N 3.12Å; Q37-S40 WeakPolarHBondContact CA-OG 3.06Å; Q37-S40 PolarHBondContact O-N 2.78Å; Q37-S40 VanDerWaalsContact O-N 3.07Å; Q37-S40 PolarHBondContact O-OG 3Å; Q37-G41 PolarHBondContact O-N 3.35Å; Q37-G41 VanDerWaalsContact O-N 3.11Å
38	E	58.1	Low	68.1	Low	79 Å²	79	91.5 Å²	91.5	37%	0.369	45%	0.451	S	S	.	.	H	α-helix	trans	-57.1	-28.6	170.5	-83.5	-114.8	120.2	0	0	113.4	H34 R42 K53	H34-E38 PolarHBondContact O-N 3.29Å; E38-R42 WeakPolarHBondContact O-CG 3.44Å; E38-R42 PolarHBondContact O-NH1 3.36Å; E38-K53 IonicContact OE1-NZ 2.67Å; E38-K53 PolarHBondContact OE1-NZ 3.35Å; E38-K53 IonicContact OE2-NZ 3.92Å; E38-K53 PolarHBondContact OE2-NZ 2.62Å
39	E	55.2	Low	67.4	Low	122 Å²	122	87.7 Å²	87.7	57%	0.57	44%	0.441	S	S	*	.	H	α-helix	trans	-75.9	-39.4	173.3	-96.8	173.3	174.9	0	0	112.6	Y35 Q36 Q37 G41 R42	Y35-E39 PolarHBondContact O-N 3.25Å; Q36-E39 PolarHBondContact O-N 3.08Å; Q37-E39 PolarHBondContact O-N 3.12Å; E39-G41 PolarHBondContact O-N 2.99Å; E39-R42 IonicContact OE1-NH2 2.7Å
40	S	52.6	Low	66.9	Low	102 Å²	102	88 Å²	88	71%	0.713	44%	0.436	S	S	*	.	H	α-helix	trans	-73.7	-20	179.5	66.6	0	0	0	0	115	Q36 Q37	Q36-S40 PolarHBondContact O-N 2.86Å; Q36-S40 VanDerWaalsContact O-N 3.14Å; Q37-S40 WeakPolarHBondContact CA-OG 3.06Å; Q37-S40 PolarHBondContact O-N 2.78Å; Q37-S40 VanDerWaalsContact O-N 3.07Å; Q37-S40 PolarHBondContact O-OG 3Å
41	G	54.4	Low	66.5	Low	28 Å²	28	90.7 Å²	90.7	29%	0.289	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	14.2	-177.2	0	0	0	0	0	115.9	Q37 E39 F43 K53	Q37-G41 PolarHBondContact O-N 3.35Å; Q37-G41 VanDerWaalsContact O-N 3.11Å; E39-G41 PolarHBondContact O-N 2.99Å; G41-F43 VanDerWaalsContact O-CD2 3.3Å; G41-F43 WeakPolarHBondContact O-CD2 3.5Å; G41-F43 WeakPolarHBondContact O-CE2 3.45Å; G41-K53 CarbonylContact O-C 3.53Å
42	R	67.3	Low	66.4	Low	113 Å²	113	91 Å²	91	43%	0.426	45%	0.45	S	S	.	.			trans	-101.6	118	-170.7	-74.5	-163.1	-68.8	-122.1	17	113	E38 E39 I51	E38-R42 WeakPolarHBondContact O-CG 3.44Å; E38-R42 PolarHBondContact O-NH1 3.36Å; E39-R42 IonicContact OE1-NH2 2.7Å; R42-I51 HydrophobicContact CB-CG2 3.62Å; R42-I51 HydrophobicContact CG-CG2 4.06Å
43	F	68.6	Low	66	Low	90 Å²	90	90.6 Å²	90.6	40%	0.395	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.7	-176.2	-61.8	-92	0	0	0	110.1	G41 Y52 H54 A55 L58	G41-F43 VanDerWaalsContact O-CD2 3.3Å; G41-F43 WeakPolarHBondContact O-CD2 3.5Å; G41-F43 WeakPolarHBondContact O-CE2 3.45Å; F43-Y52 PolarHBondContact N-O 2.86Å; F43-Y52 PolarHBondContact O-N 2.85Å; F43-H54 VanDerWaalsContact CD2-C 3.49Å; F43-A55 HydrophobicContact CD1-CB 3.91Å; F43-A55 HydrophobicContact CD2-CB 4.45Å; F43-A55 VanDerWaalsContact CD2-N 3.33Å; F43-A55 HydrophobicContact CE1-CB 3.75Å; F43-A55 HydrophobicContact CE2-CB 4.31Å; F43-A55 HydrophobicContact CG-CB 4.27Å; F43-A55 HydrophobicContact CZ-CB 3.96Å; F43-L58 HydrophobicContact CB-CB 4.13Å; F43-L58 HydrophobicContact CB-CD2 3.8Å
44	E	71.4	Confident	66	Low	103 Å²	103	94 Å²	94	48%	0.481	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145	-175.6	-168.8	166.6	156.7	0	0	113.1	E46 G49 R50 I51 L58	E44-E46 PolarHBondContact O-N 3.03Å; E44-G49 WeakPolarHBondContact OE1-CA 3.46Å; E44-R50 CarbonylContact C-O 3.56Å; E44-I51 HydrophobicContact CB-CG1 4.17Å; E44-I51 HydrophobicContact CG-CG1 3.81Å; E44-L58 VanDerWaalsContact O-CD2 3.32Å; E44-L58 WeakPolarHBondContact O-CD2 3.42Å
45	C	74.7	Confident	65.8	Low	0 Å²	0	94.5 Å²	94.5	0%	0	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	99.5	175.4	-164.6	0	0	0	0	110.7	Q47 C48 G49 R50 Y52 L58 H61	C45-Q47 PolarHBondContact O-N 3.48Å; C45-C48 PolarHBondContact O-N 3.41Å; C45-G49 PolarHBondContact O-N 3.39Å; C45-R50 HydrophobicContact CB-CB 4.42Å; C45-R50 WeakPolarHBondContact CB-O 3.46Å; C45-R50 PolarHBondContact N-O 3.22Å; C45-Y52 HydrophobicContact CB-CE2 4.36Å; C45-L58 VanDerWaalsContact CA-CD1 3.49Å; C45-L58 HydrophobicContact CB-CD1 3.47Å; C45-L58 VanDerWaalsContact CB-CD1 3.47Å; C45-H61 PolarHBondContact SG-CD2 3.19Å; C45-H61 PolarHBondContact SG-NE2 3.25Å
46	E	71	Confident	65.8	Low	161 Å²	161	91.5 Å²	91.5	75%	0.752	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-22.3	-177.8	-63.6	149.4	122.6	0	0	114.3	E44 K62	E44-E46 PolarHBondContact O-N 3.03Å; E46-K62 IonicContact OE2-NZ 2.67Å; E46-K62 PolarHBondContact OE2-NZ 3.25Å
47	Q	59.3	Low	66.3	Low	124 Å²	124	88.8 Å²	88.8	58%	0.579	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.3	178.4	-71.9	169.6	-38.9	0	0	114.5	C45 H65	C45-Q47 PolarHBondContact O-N 3.48Å; Q47-H65 VanDerWaalsContact OE1-CB 3.27Å; Q47-H65 PolarHBondContact OE1-CD2 3.3Å
48	C	70.1	Confident	67.2	Low	56 Å²	56	83.2 Å²	83.2	38%	0.378	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.8	10.1	178.5	68.1	0	0	0	0	116.8	C45 R50 H61 H65	C45-C48 PolarHBondContact O-N 3.41Å; C48-R50 PolarHBondContact O-N 2.9Å; C48-H61 PolarHBondContact SG-NE2 2.72Å; C48-H65 PolarHBondContact SG-NE2 2.8Å; C48-H65 VanDerWaalsContact SG-NE2 3.39Å
49	G	67.4	Low	67.7	Low	42 Å²	42	81.9 Å²	81.9	43%	0.433	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	15.3	177	0	0	0	0	0	115.5	E44 C45	E44-G49 WeakPolarHBondContact OE1-CA 3.46Å; C45-G49 PolarHBondContact O-N 3.39Å
50	R	68.6	Low	68.3	Low	152 Å²	152	81.7 Å²	81.7	57%	0.574	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	127.2	-180	-71.8	-175.7	177.9	-159.5	-0	111	E44 C45 C48 Y52	E44-R50 CarbonylContact C-O 3.56Å; C45-R50 HydrophobicContact CB-CB 4.42Å; C45-R50 WeakPolarHBondContact CB-O 3.46Å; C45-R50 PolarHBondContact N-O 3.22Å; C48-R50 PolarHBondContact O-N 2.9Å; R50-Y52 HydrophobicContact CB-CE2 3.56Å; R50-Y52 WeakPolarHBondContact O-CD2 3.45Å; R50-Y52 VanDerWaalsContact O-CE2 3.26Å; R50-Y52 WeakPolarHBondContact O-CE2 3.03Å
51	I	72.6	Confident	69.3	Low	93 Å²	93	77.9 Å²	77.9	48%	0.477	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.6	-173.4	-55.1	174	0	0	0	110.8	R42 E44	R42-I51 HydrophobicContact CB-CG2 3.62Å; R42-I51 HydrophobicContact CG-CG2 4.06Å; E44-I51 HydrophobicContact CB-CG1 4.17Å; E44-I51 HydrophobicContact CG-CG1 3.81Å
52	Y	74.9	Confident	70.1	Confident	53 Å²	53	80 Å²	80	21%	0.208	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.5	-176.7	-63.4	-89.4	0	0	0	111.3	F43 C45 R50 H54 L58 H61	F43-Y52 PolarHBondContact N-O 2.86Å; F43-Y52 PolarHBondContact O-N 2.85Å; C45-Y52 HydrophobicContact CB-CE2 4.36Å; R50-Y52 HydrophobicContact CB-CE2 3.56Å; R50-Y52 WeakPolarHBondContact O-CD2 3.45Å; R50-Y52 VanDerWaalsContact O-CE2 3.26Å; R50-Y52 WeakPolarHBondContact O-CE2 3.03Å; Y52-H54 VanDerWaalsContact C-N 3.27Å; Y52-H54 PolarHBondContact O-N 3.28Å; Y52-L58 HydrophobicContact CD2-CB 4.31Å; Y52-L58 HydrophobicContact CD2-CD1 4.14Å; Y52-L58 HydrophobicContact CG-CB 4.5Å; Y52-H61 HydrophobicContact CE1-CB 4.31Å; Y52-H61 HydrophobicContact CE2-CB 4.16Å; Y52-H61 AromaticContact CE2-CD2 3.19Å; Y52-H61 WeakPolarHBondContact CE2-CD2 3.41Å; Y52-H61 AromaticContact CE2-CG 3.85Å; Y52-H61 AromaticContact CE2-NE2 3.95Å; Y52-H61 AromaticContact CZ-CD2 3.37Å; Y52-H61 AromaticContact CZ-CG 3.6Å; Y52-H61 PolarHBondContact OH-CD2 3.21Å; Y52-H61 PolarHBondContact OH-NE2 3.31Å
53	K	69.5	Low	70	Confident	114 Å²	114	80.3 Å²	80.3	50%	0.496	42%	0.419	S	S	.	.	S	Bend	trans	-73.8	-11.1	179.6	-69.9	-161.5	175.1	-164.8	0	114.7	E38 G41	E38-K53 IonicContact OE1-NZ 2.67Å; E38-K53 PolarHBondContact OE1-NZ 3.35Å; E38-K53 IonicContact OE2-NZ 3.92Å; E38-K53 PolarHBondContact OE2-NZ 2.62Å; G41-K53 CarbonylContact O-C 3.53Å
54	H	74.3	Confident	69.6	Low	120 Å²	120	77.8 Å²	77.8	56%	0.556	41%	0.413	S	S	*	.	S	Bend	trans	-145.5	142.7	-177.4	-52.9	-58.5	0	0	0	111.9	F43 Y52 A56 S57 L58	F43-H54 VanDerWaalsContact CD2-C 3.49Å; Y52-H54 VanDerWaalsContact C-N 3.27Å; Y52-H54 PolarHBondContact O-N 3.28Å; H54-A56 VanDerWaalsContact C-N 3.29Å; H54-A56 PolarHBondContact O-N 3.38Å; H54-S57 WeakPolarHBondContact O-CB 3.33Å; H54-S57 PolarHBondContact O-N 3.14Å; H54-S57 VanDerWaalsContact O-N 3.08Å; H54-L58 PolarHBondContact O-N 3.23Å
55	A	69.7	Low	69.2	Low	52 Å²	52	75.8 Å²	75.8	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-56.7	-38	179	0	0	0	0	0	113.4	F43 S57 L58 A59	F43-A55 HydrophobicContact CD1-CB 3.91Å; F43-A55 HydrophobicContact CD2-CB 4.45Å; F43-A55 VanDerWaalsContact CD2-N 3.33Å; F43-A55 HydrophobicContact CE1-CB 3.75Å; F43-A55 HydrophobicContact CE2-CB 4.31Å; F43-A55 HydrophobicContact CG-CB 4.27Å; F43-A55 HydrophobicContact CZ-CB 3.96Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 2.97Å; A55-L58 PolarHBondContact O-N 2.84Å; A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 3.48Å
56	A	64.2	Low	68.4	Low	70 Å²	70	81.5 Å²	81.5	58%	0.579	43%	0.43	S	S	*	.	H	α-helix	trans	-64.3	-35	177.7	0	0	0	0	0	112.9	H54 A59 N60	H54-A56 VanDerWaalsContact C-N 3.29Å; H54-A56 PolarHBondContact O-N 3.38Å; A56-A59 PolarHBondContact O-N 3.33Å; A56-N60 PolarHBondContact O-N 3.39Å; A56-N60 VanDerWaalsContact O-N 3.1Å
57	S	71.9	Confident	67.8	Low	52 Å²	52	79.8 Å²	79.8	36%	0.364	43%	0.43	S	S	.	.	H	α-helix	trans	-69	-40.3	174.6	-53.2	0	0	0	0	111.4	H54 A55 H61	H54-S57 WeakPolarHBondContact O-CB 3.33Å; H54-S57 PolarHBondContact O-N 3.14Å; H54-S57 VanDerWaalsContact O-N 3.08Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 2.97Å; S57-H61 WeakPolarHBondContact O-CB 3.18Å; S57-H61 PolarHBondContact O-N 3.42Å; S57-H61 VanDerWaalsContact O-N 3.14Å
58	L	74.8	Confident	67.8	Low	21 Å²	21	75.1 Å²	75.1	11%	0.11	42%	0.415	C	S	.	.	H	α-helix	trans	-62.5	-45	172.1	172.6	60.3	0	0	0	111.5	F43 E44 C45 Y52 H54 A55 N60 H61 K62	F43-L58 HydrophobicContact CB-CB 4.13Å; F43-L58 HydrophobicContact CB-CD2 3.8Å; E44-L58 VanDerWaalsContact O-CD2 3.32Å; E44-L58 WeakPolarHBondContact O-CD2 3.42Å; C45-L58 VanDerWaalsContact CA-CD1 3.49Å; C45-L58 HydrophobicContact CB-CD1 3.47Å; C45-L58 VanDerWaalsContact CB-CD1 3.47Å; Y52-L58 HydrophobicContact CD2-CB 4.31Å; Y52-L58 HydrophobicContact CD2-CD1 4.14Å; Y52-L58 HydrophobicContact CG-CB 4.5Å; H54-L58 PolarHBondContact O-N 3.23Å; A55-L58 PolarHBondContact O-N 2.84Å; L58-N60 PolarHBondContact O-N 3.2Å; L58-H61 CarbonylContact O-C 3.6Å; L58-H61 WeakPolarHBondContact O-CA 3.39Å; L58-H61 PolarHBondContact O-N 2.77Å; L58-K62 HydrophobicContact CD1-CG 4.07Å; L58-K62 HydrophobicContact CG-CG 4.47Å; L58-K62 PolarHBondContact O-N 3.5Å
59	A	69.6	Low	67.3	Low	52 Å²	52	77.3 Å²	77.3	43%	0.43	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-43.6	-179.9	0	0	0	0	0	112.5	A55 A56 H61 K62 K63	A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 3.48Å; A56-A59 PolarHBondContact O-N 3.33Å; A59-H61 VanDerWaalsContact C-N 3.25Å; A59-H61 PolarHBondContact O-N 3.28Å; A59-K62 PolarHBondContact O-N 3.28Å; A59-K63 PolarHBondContact O-N 2.85Å
60	N	67.4	Low	67.1	Low	117 Å²	117	79.3 Å²	79.3	63%	0.626	43%	0.428	S	S	*	.	H	α-helix	trans	-64.9	-28.6	173.7	-79.3	-22.1	0	0	0	112.9	A56 L58	A56-N60 PolarHBondContact O-N 3.39Å; A56-N60 VanDerWaalsContact O-N 3.1Å; L58-N60 PolarHBondContact O-N 3.2Å
61	H	73.9	Confident	66.8	Low	22 Å²	22	77.7 Å²	77.7	10%	0.102	43%	0.427	C	S	.	.	H	α-helix	trans	-80.8	-34.9	175.2	172.8	47.8	0	0	0	113.3	C45 C48 Y52 S57 L58 A59 K63 S64 H65	C45-H61 PolarHBondContact SG-CD2 3.19Å; C45-H61 PolarHBondContact SG-NE2 3.25Å; C48-H61 PolarHBondContact SG-NE2 2.72Å; Y52-H61 HydrophobicContact CE1-CB 4.31Å; Y52-H61 HydrophobicContact CE2-CB 4.16Å; Y52-H61 AromaticContact CE2-CD2 3.19Å; Y52-H61 WeakPolarHBondContact CE2-CD2 3.41Å; Y52-H61 AromaticContact CE2-CG 3.85Å; Y52-H61 AromaticContact CE2-NE2 3.95Å; Y52-H61 AromaticContact CZ-CD2 3.37Å; Y52-H61 AromaticContact CZ-CG 3.6Å; Y52-H61 PolarHBondContact OH-CD2 3.21Å; Y52-H61 PolarHBondContact OH-NE2 3.31Å; S57-H61 WeakPolarHBondContact O-CB 3.18Å; S57-H61 PolarHBondContact O-N 3.42Å; S57-H61 VanDerWaalsContact O-N 3.14Å; L58-H61 CarbonylContact O-C 3.6Å; L58-H61 WeakPolarHBondContact O-CA 3.39Å; L58-H61 PolarHBondContact O-N 2.77Å; A59-H61 VanDerWaalsContact C-N 3.25Å; A59-H61 PolarHBondContact O-N 3.28Å; H61-K63 PolarHBondContact O-N 3.39Å; H61-S64 PolarHBondContact ND1-OG 2.93Å; H61-S64 WeakPolarHBondContact O-CA 3.43Å; H61-S64 WeakPolarHBondContact O-CB 3.26Å; H61-S64 PolarHBondContact O-N 3.24Å; H61-S64 PolarHBondContact O-OG 3.34Å; H61-H65 AromaticContact CE1-NE2 3.52Å; H61-H65 AromaticContact NE2-NE2 3.64Å
62	K	70.3	Confident	66.8	Low	74 Å²	74	73.2 Å²	73.2	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-57.5	-35.6	171.8	-76.3	-168.4	171.3	-169.7	0	111.5	E46 L58 A59 S64 H65	E46-K62 IonicContact OE2-NZ 2.67Å; E46-K62 PolarHBondContact OE2-NZ 3.25Å; L58-K62 HydrophobicContact CD1-CG 4.07Å; L58-K62 HydrophobicContact CG-CG 4.47Å; L58-K62 PolarHBondContact O-N 3.5Å; A59-K62 PolarHBondContact O-N 3.28Å; K62-S64 PolarHBondContact O-N 3.49Å; K62-S64 VanDerWaalsContact O-N 3.12Å; K62-H65 WeakPolarHBondContact O-CB 3.48Å; K62-H65 PolarHBondContact O-N 3.03Å
63	K	67.1	Low	66.4	Low	119 Å²	119	75.9 Å²	75.9	52%	0.517	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-10	170.5	-67.1	-176.5	175.2	-175.3	0	115.7	A59 H61	A59-K63 PolarHBondContact O-N 2.85Å; H61-K63 PolarHBondContact O-N 3.39Å
64	S	59.9	Low	66.4	Low	36 Å²	36	75 Å²	75	25%	0.252	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.8	169.5	69.1	0	0	0	0	113.6	H61 K62 N81	H61-S64 PolarHBondContact ND1-OG 2.93Å; H61-S64 WeakPolarHBondContact O-CA 3.43Å; H61-S64 WeakPolarHBondContact O-CB 3.26Å; H61-S64 PolarHBondContact O-N 3.24Å; H61-S64 PolarHBondContact O-OG 3.34Å; K62-S64 PolarHBondContact O-N 3.49Å; K62-S64 VanDerWaalsContact O-N 3.12Å; S64-N81 PolarHBondContact O-ND2 2.89Å
65	H	61.9	Low	66.5	Low	61 Å²	61	71.4 Å²	71.4	28%	0.282	42%	0.42	S	S	.	.	S	Bend	trans	-94.7	-1.2	171.5	-66	-74.4	0	0	0	113.4	Q47 C48 H61 K62 V67	Q47-H65 VanDerWaalsContact OE1-CB 3.27Å; Q47-H65 PolarHBondContact OE1-CD2 3.3Å; C48-H65 PolarHBondContact SG-NE2 2.8Å; C48-H65 VanDerWaalsContact SG-NE2 3.39Å; H61-H65 AromaticContact CE1-NE2 3.52Å; H61-H65 AromaticContact NE2-NE2 3.64Å; K62-H65 WeakPolarHBondContact O-CB 3.48Å; K62-H65 PolarHBondContact O-N 3.03Å; H65-V67 PolarHBondContact O-N 2.84Å
66	E	59.2	Low	66.5	Low	121 Å²	121	73.7 Å²	73.7	57%	0.565	43%	0.429	S	S	*	.			trans	-72.5	90	169.3	-70.2	172.2	171.9	0	0	109.2	N81	E66-N81 VanDerWaalsContact O-CB 3.22Å; E66-N81 WeakPolarHBondContact O-CB 3.3Å
67	V	57.6	Low	66.7	Low	125 Å²	125	78.6 Å²	78.6	76%	0.758	43%	0.432	S	S	*	.			trans	-82.5	126	-179.7	-178.3	0	0	0	0	110.3	H65 P80	H65-V67 PolarHBondContact O-N 2.84Å; V67-P80 VanDerWaalsContact CA-O 3.31Å; V67-P80 WeakPolarHBondContact CA-O 3.17Å
68	G	60	Low	66.3	Low	25 Å²	25	80.3 Å²	80.3	26%	0.258	44%	0.441	S	S	.	.			trans	-163.7	153.3	176.9	0	0	0	0	0	110.9	F70 P80	G68-F70 WeakPolarHBondContact O-CD2 3.2Å; G68-F70 PolarHBondContact O-N 3.42Å; G68-F70 VanDerWaalsContact O-N 3.09Å; G68-P80 PolarHBondContact N-O 3.43Å; G68-P80 CarbonylContact O-C 3.5Å; G68-P80 WeakPolarHBondContact O-CA 3.34Å
69	S	59.1	Low	66.3	Low	103 Å²	103	81 Å²	81	72%	0.72	44%	0.444	S	S	*	.			trans	-81.9	83.2	-176.7	53.4	0	0	0	0	111.8
70	F	62.4	Low	65.7	Low	83 Å²	83	82.4 Å²	82.4	36%	0.364	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.8	179.4	-62.5	-84.2	0	0	0	110.6	G68 L79 N81 A82 L85	G68-F70 WeakPolarHBondContact O-CD2 3.2Å; G68-F70 PolarHBondContact O-N 3.42Å; G68-F70 VanDerWaalsContact O-N 3.09Å; F70-L79 PolarHBondContact N-O 3.5Å; F70-L79 PolarHBondContact O-N 3Å; F70-N81 VanDerWaalsContact CD2-C 3.4Å; F70-A82 HydrophobicContact CD1-CB 4.5Å; F70-A82 HydrophobicContact CD2-CB 4.33Å; F70-A82 VanDerWaalsContact CD2-N 3.33Å; F70-A82 HydrophobicContact CE1-CB 4.27Å; F70-A82 HydrophobicContact CE2-CB 4.1Å; F70-A82 HydrophobicContact CZ-CB 4.07Å; F70-L85 HydrophobicContact CB-CB 4.22Å; F70-L85 HydrophobicContact CB-CD2 3.87Å
71	Q	63.4	Low	65.8	Low	118 Å²	118	78.1 Å²	78.1	55%	0.551	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.3	-179.2	-156.7	171.8	17	0	0	111.8	P73 T76	Q71-P73 WeakPolarHBondContact O-CD 3.05Å; Q71-T76 WeakPolarHBondContact CG-O 3.49Å; Q71-T76 PolarHBondContact NE2-O 3.25Å
72	C	71.2	Confident	65.7	Low	0 Å²	0	79.4 Å²	79.4	0%	0	44%	0.44	C	S	.	.			trans	-74.7	121	176.6	-178	0	0	0	0	110.9	V74 T76 R77 L85 H88	C72-V74 PolarHBondContact O-N 3.35Å; C72-T76 WeakPolarHBondContact O-CA 3.26Å; C72-T76 PolarHBondContact O-N 3.06Å; C72-R77 WeakPolarHBondContact CB-O 3.45Å; C72-R77 PolarHBondContact N-O 3.47Å; C72-L85 HydrophobicContact CB-CD1 3.85Å; C72-H88 PolarHBondContact SG-CD2 3.18Å
73	P	66.8	Low	65.7	Low	109 Å²	109	79.2 Å²	79.2	71%	0.708	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.2	-178.8	27.3	-35.3	0	0	0	114	Q71	Q71-P73 WeakPolarHBondContact O-CD 3.05Å
74	V	69.1	Low	65.7	Low	94 Å²	94	75 Å²	75	57%	0.57	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-35.3	-176.5	-173.2	0	0	0	0	112.6	C72 L89 H92	C72-V74 PolarHBondContact O-N 3.35Å; V74-L89 HydrophobicContact CG2-CD2 4.13Å; V74-H92 HydrophobicContact CB-CB 4.47Å; V74-H92 HydrophobicContact CG1-CB 4.2Å; V74-H92 HydrophobicContact CG2-CB 4.4Å
75	C	77.9	Confident	66.4	Low	45 Å²	45	74.7 Å²	74.7	30%	0.304	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	23.6	-176.7	79	0	0	0	0	113.9	R77 H88 H92	C75-R77 PolarHBondContact O-N 3.5Å; C75-H88 PolarHBondContact SG-NE2 2.8Å; C75-H92 VanDerWaalsContact SG-CE1 3.57Å; C75-H92 PolarHBondContact SG-NE2 3.15Å; C75-H92 VanDerWaalsContact SG-NE2 3.36Å
76	T	68.3	Low	66.9	Low	101 Å²	101	79.2 Å²	79.2	62%	0.62	45%	0.447	S	S	*	.			trans	50.4	8.7	174.3	60.3	0	0	0	0	117.8	Q71 C72 T78	Q71-T76 WeakPolarHBondContact CG-O 3.49Å; Q71-T76 PolarHBondContact NE2-O 3.25Å; C72-T76 WeakPolarHBondContact O-CA 3.26Å; C72-T76 PolarHBondContact O-N 3.06Å; T76-T78 PolarHBondContact O-N 3.22Å
77	R	68.1	Low	67.3	Low	173 Å²	173	77.6 Å²	77.6	65%	0.653	44%	0.442	S	S	*	.			trans	-70.2	125.5	177	-81.9	-174.7	166.9	-179.6	-3.1	111.8	C72 C75	C72-R77 WeakPolarHBondContact CB-O 3.45Å; C72-R77 PolarHBondContact N-O 3.47Å; C75-R77 PolarHBondContact O-N 3.5Å
78	T	65.1	Low	68.1	Low	88 Å²	88	72.9 Å²	72.9	54%	0.54	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.4	174.3	-39.2	0	0	0	0	110.7	T76	T76-T78 PolarHBondContact O-N 3.22Å
79	L	74.3	Confident	68.7	Low	34 Å²	34	74.3 Å²	74.3	18%	0.178	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.3	-175.2	-66	169.2	0	0	0	111	F70 N81 A84 L85 H88	F70-L79 PolarHBondContact N-O 3.5Å; F70-L79 PolarHBondContact O-N 3Å; L79-N81 PolarHBondContact O-N 2.89Å; L79-A84 HydrophobicContact CB-CB 4.4Å; L79-L85 HydrophobicContact CD1-CB 4.23Å; L79-L85 HydrophobicContact CD1-CD1 4.07Å; L79-H88 HydrophobicContact CD1-CB 3.51Å
80	P	57.5	Low	69.5	Low	82 Å²	82	75.7 Å²	75.7	53%	0.532	40%	0.403	S	S	.	.	S	Bend	trans	-80.7	-9.8	-163.1	31.4	-37.8	0	0	0	115.5	V67 G68	V67-P80 VanDerWaalsContact CA-O 3.31Å; V67-P80 WeakPolarHBondContact CA-O 3.17Å; G68-P80 PolarHBondContact N-O 3.43Å; G68-P80 CarbonylContact O-C 3.5Å; G68-P80 WeakPolarHBondContact O-CA 3.34Å
81	N	68.9	Low	69.7	Low	28 Å²	28	77 Å²	77	15%	0.15	41%	0.412	C	S	.	.	S	Bend	trans	-154.1	162.3	170.3	67.1	25	0	0	0	111.4	S64 E66 F70 L79 V83 A84 L85	S64-N81 PolarHBondContact O-ND2 2.89Å; E66-N81 VanDerWaalsContact O-CB 3.22Å; E66-N81 WeakPolarHBondContact O-CB 3.3Å; F70-N81 VanDerWaalsContact CD2-C 3.4Å; L79-N81 PolarHBondContact O-N 2.89Å; N81-V83 PolarHBondContact O-N 3.41Å; N81-V83 PolarHBondContact OD1-N 3.36Å; N81-A84 PolarHBondContact O-N 2.81Å; N81-A84 VanDerWaalsContact OD1-CB 3.25Å; N81-A84 WeakPolarHBondContact OD1-CB 3.48Å; N81-A84 PolarHBondContact OD1-N 3.24Å; N81-L85 PolarHBondContact O-N 3.28Å; N81-L85 VanDerWaalsContact O-N 3.14Å
82	A	71.1	Confident	69.8	Low	49 Å²	49	73.9 Å²	73.9	41%	0.405	40%	0.398	S	S	.	.	H	α-helix	trans	-64.5	-25	-177.4	0	0	0	0	0	113.4	F70 K86	F70-A82 HydrophobicContact CD1-CB 4.5Å; F70-A82 HydrophobicContact CD2-CB 4.33Å; F70-A82 VanDerWaalsContact CD2-N 3.33Å; F70-A82 HydrophobicContact CE1-CB 4.27Å; F70-A82 HydrophobicContact CE2-CB 4.1Å; F70-A82 HydrophobicContact CZ-CB 4.07Å; A82-K86 WeakPolarHBondContact O-CB 3.47Å; A82-K86 PolarHBondContact O-N 2.94Å
83	V	71.2	Confident	69.4	Low	69 Å²	69	79 Å²	79	42%	0.418	43%	0.429	S	S	.	.	H	α-helix	trans	-71.6	-41.5	176.8	-176.3	0	0	0	0	111	N81 K86 N87	N81-V83 PolarHBondContact O-N 3.41Å; N81-V83 PolarHBondContact OD1-N 3.36Å; V83-K86 PolarHBondContact O-N 3.4Å; V83-N87 PolarHBondContact O-N 3.24Å
84	A	67.6	Low	68.5	Low	32 Å²	32	80 Å²	80	26%	0.264	43%	0.428	S	S	.	.	H	α-helix	trans	-63.4	-43.6	173.2	0	0	0	0	0	110.8	L79 N81 K86 N87 H88	L79-A84 HydrophobicContact CB-CB 4.4Å; N81-A84 PolarHBondContact O-N 2.81Å; N81-A84 VanDerWaalsContact OD1-CB 3.25Å; N81-A84 WeakPolarHBondContact OD1-CB 3.48Å; N81-A84 PolarHBondContact OD1-N 3.24Å; A84-K86 PolarHBondContact O-N 2.88Å; A84-N87 PolarHBondContact O-N 3.03Å; A84-H88 VanDerWaalsContact O-CB 3.24Å; A84-H88 WeakPolarHBondContact O-CB 3.49Å; A84-H88 PolarHBondContact O-N 3.5Å
85	L	74.4	Confident	66.8	Low	28 Å²	28	80 Å²	80	15%	0.147	43%	0.432	C	S	.	.	H	α-helix	trans	-59.1	-45.6	172.3	177.4	60.5	0	0	0	111.7	F70 C72 L79 N81 N87 H88 L89	F70-L85 HydrophobicContact CB-CB 4.22Å; F70-L85 HydrophobicContact CB-CD2 3.87Å; C72-L85 HydrophobicContact CB-CD1 3.85Å; L79-L85 HydrophobicContact CD1-CB 4.23Å; L79-L85 HydrophobicContact CD1-CD1 4.07Å; N81-L85 PolarHBondContact O-N 3.28Å; N81-L85 VanDerWaalsContact O-N 3.14Å; L85-N87 VanDerWaalsContact C-N 3.33Å; L85-N87 PolarHBondContact O-N 3.18Å; L85-H88 PolarHBondContact O-N 2.88Å; L85-L89 HydrophobicContact CD1-CD1 3.91Å; L85-L89 HydrophobicContact CD1-CD2 4.45Å; L85-L89 HydrophobicContact CD1-CG 3.84Å; L85-L89 HydrophobicContact CD2-CD1 4.49Å; L85-L89 HydrophobicContact CG-CD1 3.87Å; L85-L89 HydrophobicContact CG-CG 4.27Å; L85-L89 WeakPolarHBondContact O-CB 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.11Å; L85-L89 PolarHBondContact O-N 2.9Å
86	K	72.1	Confident	65.3	Low	156 Å²	156	83.7 Å²	83.7	68%	0.678	46%	0.455	S	S	*	.	H	α-helix	trans	-69.3	-27.1	-178.6	-161.2	165.2	-171.3	169.6	0	113.9	A82 V83 A84	A82-K86 WeakPolarHBondContact O-CB 3.47Å; A82-K86 PolarHBondContact O-N 2.94Å; V83-K86 PolarHBondContact O-N 3.4Å; A84-K86 PolarHBondContact O-N 2.88Å
87	N	68.2	Low	63.7	Low	87 Å²	87	85 Å²	85	47%	0.465	47%	0.468	S	S	.	.	H	α-helix	trans	-77.4	-39.8	168.7	-91.6	-4	0	0	0	112.2	V83 A84 L85 R90	V83-N87 PolarHBondContact O-N 3.24Å; A84-N87 PolarHBondContact O-N 3.03Å; L85-N87 VanDerWaalsContact C-N 3.33Å; L85-N87 PolarHBondContact O-N 3.18Å; N87-R90 VanDerWaalsContact O-CB 3.29Å; N87-R90 WeakPolarHBondContact O-CB 3.31Å; N87-R90 PolarHBondContact O-N 3.28Å; N87-R90 VanDerWaalsContact O-N 3.08Å; N87-R90 PolarHBondContact OD1-NH1 3.36Å; N87-R90 PolarHBondContact OD1-NH2 2.85Å
88	H	74.3	Confident	62	Low	26 Å²	26	82.3 Å²	82.3	12%	0.12	48%	0.476	C	S	.	.	H	α-helix	trans	-67	-38.7	178.3	175.5	66.6	0	0	0	112.4	C72 C75 L79 A84 L85 R90 I91 H92	C72-H88 PolarHBondContact SG-CD2 3.18Å; C75-H88 PolarHBondContact SG-NE2 2.8Å; L79-H88 HydrophobicContact CD1-CB 3.51Å; A84-H88 VanDerWaalsContact O-CB 3.24Å; A84-H88 WeakPolarHBondContact O-CB 3.49Å; A84-H88 PolarHBondContact O-N 3.5Å; L85-H88 PolarHBondContact O-N 2.88Å; H88-R90 PolarHBondContact O-N 2.87Å; H88-I91 VanDerWaalsContact O-CB 3.26Å; H88-I91 WeakPolarHBondContact O-CB 3.13Å; H88-I91 PolarHBondContact O-N 2.89Å; H88-H92 AromaticContact CD2-NE2 3.76Å; H88-H92 AromaticContact CE1-NE2 3.39Å; H88-H92 PolarHBondContact CE1-NE2 3.29Å; H88-H92 AromaticContact NE2-CD2 3.74Å; H88-H92 AromaticContact NE2-NE2 3.01Å; H88-H92 PolarHBondContact NE2-NE2 3.37Å; H88-H92 PolarHBondContact O-CD2 3.31Å; H88-H92 PolarHBondContact O-N 3.06Å
89	L	72.4	Confident	60.4	Low	56 Å²	56	81.8 Å²	81.8	29%	0.293	48%	0.481	S	S	.	.	H	α-helix	trans	-59.9	-27.8	169.9	-74.1	170.3	0	0	0	112.4	V74 L85 I91 H92 T93	V74-L89 HydrophobicContact CG2-CD2 4.13Å; L85-L89 HydrophobicContact CD1-CD1 3.91Å; L85-L89 HydrophobicContact CD1-CD2 4.45Å; L85-L89 HydrophobicContact CD1-CG 3.84Å; L85-L89 HydrophobicContact CD2-CD1 4.49Å; L85-L89 HydrophobicContact CG-CD1 3.87Å; L85-L89 HydrophobicContact CG-CG 4.27Å; L85-L89 WeakPolarHBondContact O-CB 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.11Å; L85-L89 PolarHBondContact O-N 2.9Å; L89-I91 PolarHBondContact O-N 3.1Å; L89-H92 PolarHBondContact O-N 3.29Å; L89-T93 PolarHBondContact O-N 3.29Å
90	R	74.4	Confident	58.3	Low	132 Å²	132	89.1 Å²	89.1	50%	0.498	51%	0.514	S	S	.	.	H	α-helix	trans	-68.6	-22.3	173.6	-157.8	-176.6	-60.8	108.9	9	112.9	N87 H88 T93 L94	N87-R90 VanDerWaalsContact O-CB 3.29Å; N87-R90 WeakPolarHBondContact O-CB 3.31Å; N87-R90 PolarHBondContact O-N 3.28Å; N87-R90 VanDerWaalsContact O-N 3.08Å; N87-R90 PolarHBondContact OD1-NH1 3.36Å; N87-R90 PolarHBondContact OD1-NH2 2.85Å; H88-R90 PolarHBondContact O-N 2.87Å; R90-T93 VanDerWaalsContact CA-OG1 3.29Å; R90-T93 WeakPolarHBondContact CA-OG1 3.42Å; R90-T93 PolarHBondContact O-OG1 3.09Å; R90-L94 WeakPolarHBondContact O-CG 3.24Å; R90-L94 PolarHBondContact O-N 3Å
91	I	66.6	Low	56.9	Low	110 Å²	110	88.3 Å²	88.3	56%	0.564	51%	0.514	S	S	*	.	H	α-helix	trans	-71.3	-41.9	172.3	-50.6	175.5	0	0	0	109.3	H88 L89 T93 L94	H88-I91 VanDerWaalsContact O-CB 3.26Å; H88-I91 WeakPolarHBondContact O-CB 3.13Å; H88-I91 PolarHBondContact O-N 2.89Å; L89-I91 PolarHBondContact O-N 3.1Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 2.89Å; I91-L94 CarbonylContact O-C 3.08Å; I91-L94 WeakPolarHBondContact O-CA 3.33Å; I91-L94 PolarHBondContact O-N 3.38Å
92	H	66.8	Low	55.1	Low	53 Å²	53	95 Å²	95	25%	0.245	55%	0.545	C	S	.	.	H	α-helix	trans	-67.7	-27.2	174.6	-63.6	-65.3	0	0	0	113.3	V74 C75 H88 L89 L94 S95	V74-H92 HydrophobicContact CB-CB 4.47Å; V74-H92 HydrophobicContact CG1-CB 4.2Å; V74-H92 HydrophobicContact CG2-CB 4.4Å; C75-H92 VanDerWaalsContact SG-CE1 3.57Å; C75-H92 PolarHBondContact SG-NE2 3.15Å; C75-H92 VanDerWaalsContact SG-NE2 3.36Å; H88-H92 AromaticContact CD2-NE2 3.76Å; H88-H92 AromaticContact CE1-NE2 3.39Å; H88-H92 PolarHBondContact CE1-NE2 3.29Å; H88-H92 AromaticContact NE2-CD2 3.74Å; H88-H92 AromaticContact NE2-NE2 3.01Å; H88-H92 PolarHBondContact NE2-NE2 3.37Å; H88-H92 PolarHBondContact O-CD2 3.31Å; H88-H92 PolarHBondContact O-N 3.06Å; L89-H92 PolarHBondContact O-N 3.29Å; H92-L94 PolarHBondContact O-N 3.17Å; H92-S95 PolarHBondContact O-OG 2.82Å
93	T	61.8	Low	53.3	Low	108 Å²	108	101.3 Å²	101.3	66%	0.663	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	2.6	169.1	62.2	0	0	0	0	114	L89 R90 I91	L89-T93 PolarHBondContact O-N 3.29Å; R90-T93 VanDerWaalsContact CA-OG1 3.29Å; R90-T93 WeakPolarHBondContact CA-OG1 3.42Å; R90-T93 PolarHBondContact O-OG1 3.09Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 2.89Å
94	L	48.8	Very low	51.5	Low	130 Å²	130	106.5 Å²	106.5	68%	0.681	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	46.8	176.6	-67.7	173.7	0	0	0	109.9	R90 I91 H92	R90-L94 WeakPolarHBondContact O-CG 3.24Å; R90-L94 PolarHBondContact O-N 3Å; I91-L94 CarbonylContact O-C 3.08Å; I91-L94 WeakPolarHBondContact O-CA 3.33Å; I91-L94 PolarHBondContact O-N 3.38Å; H92-L94 PolarHBondContact O-N 3.17Å
95	S	33.6	Very low	49.5	Very low	93 Å²	93	111.6 Å²	111.6	65%	0.65	61%	0.608	S	S	*	*			trans	-63.8	129	171.8	-64.3	0	0	0	0	111	H92	H92-S95 PolarHBondContact O-OG 2.82Å
96	P	46.6	Very low	47.4	Very low	122 Å²	122	117.7 Å²	117.7	79%	0.792	64%	0.636	S	S	*	*			trans	-73	154.2	165.1	32.4	-33.9	0	0	0	110.2
97	S	33.1	Very low	45.2	Very low	128 Å²	128	119.3 Å²	119.3	90%	0.895	65%	0.646	S	S	*	*			trans	-116.4	141.4	157.8	-66.9	0	0	0	0	108.4
98	S	34.2	Very low	43.3	Very low	118 Å²	118	119.5 Å²	119.5	83%	0.825	66%	0.659	S	S	*	*			trans	-112.1	157.1	-165.9	51.5	0	0	0	0	112.2
99	A	30.6	Very low	41.9	Very low	76 Å²	76	123.2 Å²	123.2	63%	0.628	69%	0.685	S	S	*	*				151.1	138.9	111.1	0	0	0	0	0	113.9
100	H	29.6	Very low	39.8	Very low	188 Å²	188	128.9 Å²	128.9	87%	0.87	71%	0.711	S	S	*	*			trans	60	155.6	154	-65.8	-55.2	0	0	0	119.1
101	A	29.1	Very low	37.6	Very low	65 Å²	65	130.3 Å²	130.3	54%	0.537	72%	0.723	S	S	.	*			cis	-161.5	179.2	-19.1	0	0	0	0	0	109.4
102	E	30.2	Very low	35.8	Very low	170 Å²	170	129.3 Å²	129.3	79%	0.794	73%	0.731	S	S	*	*			trans	58.7	145.5	174.1	-72.1	112.4	-114.7	0	0	116.5
103	E	34.8	Very low	34	Very low	180 Å²	180	130.3 Å²	130.3	84%	0.841	76%	0.756	S	S	*	*			cis	98.7	138.8	30.1	-73.2	-170.1	160.6	0	0	115.9
104	E	33.1	Very low	32.3	Very low	179 Å²	179	133 Å²	133	84%	0.836	76%	0.761	S	S	*	*			trans	13.1	122.7	170	-52.9	-161.4	133.2	0	0	123.9
105	N	26	Very low	31.2	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	76%	0.763	S	S	*	*				64.4	150.3	114.7	-143.4	27.3	0	0	0	123.8
106	E	28.4	Very low	31	Very low	156 Å²	156	136.4 Å²	136.4	73%	0.729	77%	0.767	S	S	*	*			trans	77.5	131.5	157.4	-56	-116.5	106.2	0	0	123.6
107	E	25.6	Very low	30.4	Very low	190 Å²	190	140.5 Å²	140.5	89%	0.888	77%	0.767	S	S	*	*			trans	60.5	-179.5	149.7	-60.8	-147.7	116.2	0	0	122.8
108	A	29.4	Very low	30	Very low	90 Å²	90	139.5 Å²	139.5	74%	0.744	76%	0.759	S	S	*	*			trans	-137.2	-161.4	-148.9	0	0	0	0	0	110.2
109	P	44.6	Very low	29.6	Very low	104 Å²	104	143.5 Å²	143.5	68%	0.675	76%	0.763	S	S	*	*			cis	-142.1	-170.3	1.7	47.1	-28.5	0	0	0	116.4
110	E	27.8	Very low	29.3	Very low	176 Å²	176	143 Å²	143	82%	0.822	77%	0.765	S	S	*	*			trans	63.2	151.8	158.4	-68.7	-176.6	-166.4	0	0	118.5
111	E	28.5	Very low	29.2	Very low	161 Å²	161	142.3 Å²	142.3	75%	0.752	77%	0.766	S	S	*	*			cis	-156	-173.2	-5.9	-125.2	-65.6	127.5	0	0	109.7
112	A	28.8	Very low	29	Very low	90 Å²	90	143.3 Å²	143.3	74%	0.744	77%	0.774	S	S	*	*			trans	81.1	97.8	168.1	0	0	0	0	0	118.5
113	G	29.8	Very low	28.9	Very low	74 Å²	74	144.2 Å²	144.2	76%	0.763	78%	0.779	S	S	*	*			trans	171.9	44.4	170.6	0	0	0	0	0	120.3
114	H	26.6	Very low	28.4	Very low	165 Å²	165	142.1 Å²	142.1	76%	0.764	77%	0.773	S	S	*	*			trans	-41	156.3	164.2	-67.1	-89.5	0	0	0	114.1
115	D	25.6	Very low	28.3	Very low	135 Å²	135	141.4 Å²	141.4	72%	0.722	77%	0.774	S	S	*	*			cis	-173.2	168.5	-8.4	-98.3	-14.5	0	0	0	106.5
116	E	28.2	Very low	28.4	Very low	158 Å²	158	139.4 Å²	139.4	74%	0.738	77%	0.771	S	S	*	*			cis	-152.8	-173.5	-4.2	-137	-72.4	88.7	0	0	108.6
117	R	33.6	Very low	28.3	Very low	209 Å²	209	139.1 Å²	139.1	79%	0.789	78%	0.775	S	S	*	*			trans	-125	104.3	-173.4	176.3	-164.8	-173	164.9	2.2	112.8
118	S	26.2	Very low	28.5	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	77%	0.766	S	S	*	*			trans	-156.6	149.7	160.9	-86.7	0	0	0	0	111.6
119	F	25.1	Very low	28.3	Very low	203 Å²	203	139.5 Å²	139.5	89%	0.89	78%	0.776	S	S	*	*			cis	73.1	115.2	46.4	-93.6	-77.2	0	0	0	115.7
120	G	23.9	Very low	27.4	Very low	65 Å²	65	137.9 Å²	137.9	67%	0.67	78%	0.778	S	S	*	*			trans	89.4	103.7	132.9	0	0	0	0	0	121.1
121	L	27.3	Very low	27.3	Very low	174 Å²	174	141.2 Å²	141.2	91%	0.911	78%	0.784	S	S	*	*			trans	64.9	109.2	136.1	-69.5	165.3	0	0	0	122.1
122	A	26.3	Very low	27.2	Very low	85 Å²	85	138 Å²	138	70%	0.702	78%	0.779	S	S	*	*				93.2	156.9	117.6	0	0	0	0	0	122.1
123	Q	27.1	Very low	27.2	Very low	189 Å²	189	141.6 Å²	141.6	88%	0.883	78%	0.78	S	S	*	*			trans	74.5	155.8	169.9	-57.5	178.9	-6.9	0	0	118.8
124	D	25.3	Very low	27.1	Very low	137 Å²	137	145.2 Å²	145.2	73%	0.733	78%	0.781	S	S	*	*				-163.9	154.4	-56.4	-142.9	-34.8	0	0	0	110.5
125	L	30.9	Very low	27	Very low	163 Å²	163	144.5 Å²	144.5	85%	0.853	78%	0.783	S	S	*	*			trans	60.4	159.5	169.8	-50	178.9	0	0	0	117.4
126	S	28	Very low	27	Very low	97 Å²	97	144.3 Å²	144.3	68%	0.678	78%	0.782	S	S	*	*			cis	-133.2	178	-4.7	68.7	0	0	0	0	109.2
127	D	26.6	Very low	26.9	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	78%	0.784	S	S	*	*			cis	-118.3	160.7	8.4	-56.2	-51.8	0	0	0	109.9
128	G	28.5	Very low	26.5	Very low	68 Å²	68	135.6 Å²	135.6	70%	0.701	78%	0.782	S	S	*	*			cis	102.4	121.2	36.1	0	0	0	0	0	108.6
129	F	24.8	Very low	26.6	Very low	219 Å²	219	137.9 Å²	137.9	96%	0.961	79%	0.791	S	S	*	*			cis	-131.5	168.8	8.7	-77.1	-121.8	0	0	0	109
130	G	26.4	Very low	26.6	Very low	70 Å²	70	131.5 Å²	131.5	72%	0.722	78%	0.783	S	S	*	*			cis	-175.5	170.6	0.6	0	0	0	0	0	110.8
131	R	25.9	Very low	26.7	Very low	246 Å²	246	137 Å²	137	93%	0.928	79%	0.791	S	S	*	*			trans	-82	171.2	179.5	-60.9	177.1	168.5	-174.5	-2.4	110.9
132	S	26.5	Very low	26.6	Very low	95 Å²	95	133 Å²	133	66%	0.664	78%	0.777	S	S	*	*			cis	-167.6	169.2	30.9	-37.9	0	0	0	0	115.4
133	H	28.9	Very low	26.6	Very low	164 Å²	164	135.2 Å²	135.2	76%	0.759	78%	0.782	S	S	*	*			trans	65.7	111.2	146.5	-72.1	-61.9	0	0	0	123.8
134	L	26.7	Very low	26.8	Very low	151 Å²	151	134 Å²	134	79%	0.791	78%	0.781	S	S	*	*				43.2	129.7	118.3	-57.2	177.5	0	0	0	122.1
135	N	26.2	Very low	27.6	Very low	149 Å²	149	133.2 Å²	133.2	80%	0.797	78%	0.783	S	S	*	*				120.8	128.8	119.6	-138.3	18.9	0	0	0	118.7
136	N	24.7	Very low	27.4	Very low	131 Å²	131	129 Å²	129	70%	0.701	78%	0.778	S	S	*	*			trans	49	124.2	146.6	-134.2	5.4	0	0	0	123.3
137	S	26.2	Very low	27.4	Very low	113 Å²	113	132 Å²	132	79%	0.79	78%	0.782	S	S	*	*			trans	32.8	118.4	137.3	-54.3	0	0	0	0	122.4
138	G	24.8	Very low	27.5	Very low	72 Å²	72	132.2 Å²	132.2	74%	0.742	78%	0.778	S	S	*	*				129.9	114.9	125.7	0	0	0	0	0	120.8
139	V	27.7	Very low	27.6	Very low	153 Å²	153	134.7 Å²	134.7	93%	0.927	78%	0.779	S	S	*	*			trans	63	121.4	138.3	-167.2	0	0	0	0	121.6
140	G	26.2	Very low	27.9	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	77%	0.771	S	S	*	*			trans	98	158.1	150.5	0	0	0	0	0	117.2
141	H	25.6	Very low	28	Very low	179 Å²	179	133.4 Å²	133.4	83%	0.829	77%	0.766	S	S	*	*			cis	-163.8	144	-24.1	-149.7	-67.7	0	0	0	109.5
142	S	25.6	Very low	28.5	Very low	91 Å²	91	130 Å²	130	64%	0.636	76%	0.76	S	S	*	*			trans	29.3	112.8	164	-59.4	0	0	0	0	124.2
143	V	26.9	Very low	28.6	Very low	132 Å²	132	129.2 Å²	129.2	80%	0.8	77%	0.767	S	S	*	*				46.9	126.1	112.6	179.5	0	0	0	0	121.3
144	L	30.3	Very low	28.9	Very low	164 Å²	164	131.2 Å²	131.2	86%	0.859	77%	0.773	S	S	*	*				-170.5	167.6	120.7	-92.4	179.5	0	0	0	110.1
145	P	42.4	Very low	29	Very low	120 Å²	120	134.6 Å²	134.6	78%	0.779	78%	0.781	S	S	*	*			trans	-134.2	-180	-141.4	45.6	-31.3	0	0	0	118.9
146	G	25.9	Very low	28.9	Very low	73 Å²	73	131 Å²	131	75%	0.753	78%	0.779	S	S	*	*			trans	126.6	145.4	166.8	0	0	0	0	0	113.2
147	H	27.7	Very low	29.2	Very low	161 Å²	161	130.4 Å²	130.4	75%	0.745	79%	0.786	S	S	*	*			cis	-159.9	138.6	-4.5	-162.4	-89.7	0	0	0	108.7
148	E	30.1	Very low	30.3	Very low	156 Å²	156	130 Å²	130	73%	0.729	78%	0.78	S	S	*	*			trans	26.7	140	160.5	-57.1	175.5	166.5	0	0	121.4
149	T	29.6	Very low	30.8	Very low	120 Å²	120	135.3 Å²	135.3	74%	0.736	79%	0.786	S	S	*	*				-160	152	51.7	53.7	0	0	0	0	114.7
150	D	30.8	Very low	31.1	Very low	145 Å²	145	133.4 Å²	133.4	78%	0.775	78%	0.779	S	S	*	*			trans	32.2	144.7	140.8	-71	-108.3	0	0	0	124.1
151	D	29.8	Very low	31.4	Very low	116 Å²	116	137.1 Å²	137.1	62%	0.62	78%	0.783	S	S	*	*			cis	-164	166.3	-4	-170.9	-133.3	0	0	0	114.8
152	H	35.1	Very low	31.7	Very low	176 Å²	176	137 Å²	137	82%	0.815	79%	0.788	S	S	*	*			trans	25.6	150.8	161.2	-76.1	29.5	0	0	0	122.7
153	G	28.7	Very low	32.5	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	78%	0.784	S	S	*	*			cis	179.9	178.8	6.9	0	0	0	0	0	114.4
154	K	36.9	Very low	33.3	Very low	207 Å²	207	142 Å²	142	90%	0.9	79%	0.793	S	S	*	*			trans	-84.3	152.1	-162.2	-58.7	168.8	179.5	168.4	0	118.4
155	K	28.9	Very low	34.4	Very low	221 Å²	221	138.7 Å²	138.7	96%	0.961	78%	0.777	S	S	*	*			trans	176.3	153.7	134.3	-102.6	160.8	-174.6	171.7	0	115
156	G	24	Very low	34.9	Very low	73 Å²	73	140.6 Å²	140.6	75%	0.753	77%	0.768	S	S	*	*			trans	133.3	123.4	141.8	0	0	0	0	0	120.8
157	S	29.8	Very low	36.7	Very low	119 Å²	119	142 Å²	142	83%	0.832	76%	0.764	S	S	*	*			trans	-154.7	176.9	153.2	-52.2	0	0	0	0	106
158	P	48.8	Very low	38.6	Very low	104 Å²	104	137.8 Å²	137.8	68%	0.675	74%	0.744	S	S	*	*			cis	-144.8	-152.7	8.1	41.9	-18.6	0	0	0	114.6
159	E	35.6	Very low	40.4	Very low	185 Å²	185	137.1 Å²	137.1	86%	0.864	74%	0.738	S	S	*	*			trans	86.9	172.2	146	-85.2	172.6	163.3	0	0	122.1
160	S	34.1	Very low	42.6	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	70%	0.703	S	S	*	*			trans	-142.5	159.8	-145.8	56.8	0	0	0	0	114.8
161	D	33.6	Very low	44.3	Very low	149 Å²	149	129.4 Å²	129.4	80%	0.797	69%	0.693	S	S	*	*			trans	-71.5	142.1	-175.6	-66.6	-70.9	0	0	0	116.9
162	D	30.8	Very low	45.7	Very low	176 Å²	176	130 Å²	130	94%	0.941	69%	0.691	S	S	*	*			trans	-157.8	90.4	154.9	-126.4	-30.5	0	0	0	108.7
163	A	43.4	Very low	47.3	Very low	68 Å²	68	123.9 Å²	123.9	56%	0.562	67%	0.668	S	S	*	*			trans	-135.2	60.3	-150.6	0	0	0	0	0	117.3
164	W	42.4	Very low	48.7	Very low	260 Å²	260	126 Å²	126	99%	0.985	66%	0.662	S	S	*	*	S	Bend	trans	-140.6	36.3	173.1	-78.4	114.8	0	0	0	116.7
165	D	53.2	Low	50	Low	95 Å²	95	123.7 Å²	123.7	51%	0.508	65%	0.647	S	S	.	*	S	Bend	trans	-148.2	33.7	176.7	-162.5	13.8	0	0	0	115.3	R178	D165-R178 IonicContact OD1-CZ 3.42Å; D165-R178 IonicContact OD1-NH1 3.85Å; D165-R178 PolarHBondContact OD1-NH1 2.98Å; D165-R178 IonicContact OD1-NH2 2.6Å; D165-R178 PolarHBondContact OD1-NH2 3.31Å; D165-R178 IonicContact OD2-CZ 2.69Å; D165-R178 IonicContact OD2-NH1 3.76Å; D165-R178 PolarHBondContact OD2-NH1 3.13Å; D165-R178 IonicContact OD2-NH2 2.65Å; D165-R178 PolarHBondContact OD2-NH2 3.39Å
166	R	54	Low	52.1	Low	160 Å²	160	116 Å²	116	60%	0.604	62%	0.619	S	S	*	*			trans	-147.9	87.3	-179.9	-63.3	-174.6	-170.3	160	6.6	112.9	F168 T176 Y177	R166-F168 PolarHBondContact O-N 2.83Å; R166-T176 WeakPolarHBondContact CD-O 3.5Å; R166-T176 WeakPolarHBondContact CD-OG1 3.37Å; R166-Y177 CarbonylContact C-O 3.51Å
167	P	64.1	Low	54.5	Low	102 Å²	102	115 Å²	115	66%	0.662	59%	0.593	S	S	*	*			trans	-69.3	-21	-170	-23.7	35.2	0	0	0	116.9
168	F	66.9	Low	56.4	Low	73 Å²	73	115.6 Å²	115.6	32%	0.32	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.8	90.4	-168.1	-58.7	-83.2	0	0	0	111.4	R166 Y177 R178 H180 L183	R166-F168 PolarHBondContact O-N 2.83Å; F168-Y177 WeakPolarHBondContact CB-O 3.44Å; F168-Y177 PolarHBondContact N-O 3.08Å; F168-Y177 WeakPolarHBondContact O-CB 3.22Å; F168-Y177 PolarHBondContact O-N 2.97Å; F168-R178 WeakPolarHBondContact CE2-O 3.44Å; F168-H180 HydrophobicContact CD1-CB 3.99Å; F168-H180 HydrophobicContact CE1-CB 3.79Å; F168-H180 HydrophobicContact CZ-CB 4.19Å; F168-L183 HydrophobicContact CB-CB 4.17Å; F168-L183 HydrophobicContact CB-CD2 3.94Å
169	K	67.4	Low	57.4	Low	142 Å²	142	116.2 Å²	116.2	62%	0.617	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.9	148.6	179.8	69.1	175.4	-178.5	170.4	0	114	T176 L183	K169-T176 HydrophobicContact CB-CG2 4.05Å; K169-L183 WeakPolarHBondContact O-CD2 3.43Å
170	C	75.3	Confident	58.6	Low	0 Å²	0	113 Å²	113	0%	0	56%	0.555	C	S	.	*			trans	-90.9	119.2	172.5	-159.4	0	0	0	0	112	Q172 C173 D174 R175 L183 H186	C170-Q172 PolarHBondContact O-N 3.35Å; C170-C173 PolarHBondContact O-N 2.95Å; C170-D174 VanDerWaalsContact O-CA 3.26Å; C170-D174 WeakPolarHBondContact O-CA 3.49Å; C170-D174 PolarHBondContact O-N 3.19Å; C170-R175 WeakPolarHBondContact CB-O 3.3Å; C170-R175 PolarHBondContact N-O 3.47Å; C170-L183 HydrophobicContact CB-CD1 3.65Å; C170-H186 PolarHBondContact SG-CD2 3.29Å
171	D	66.6	Low	60	Low	103 Å²	103	110.1 Å²	110.1	55%	0.551	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	2.6	176.1	48.5	-14.5	0	0	0	116.6	K187	D171-K187 WeakPolarHBondContact OD1-CE 3.48Å; D171-K187 IonicContact OD1-NZ 2.78Å; D171-K187 PolarHBondContact OD1-NZ 3.17Å; D171-K187 IonicContact OD2-NZ 3.15Å; D171-K187 PolarHBondContact OD2-NZ 3.11Å
172	Q	61.1	Low	61.8	Low	127 Å²	127	105.6 Å²	105.6	59%	0.593	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	-3.8	-178.6	-61	-173.2	15.3	0	0	114.3	C170 H190	C170-Q172 PolarHBondContact O-N 3.35Å; Q172-H190 HydrophobicContact CB-CB 4.42Å
173	C	66.8	Low	63.7	Low	49 Å²	49	97.8 Å²	97.8	33%	0.331	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.3	23.8	170.3	76.5	0	0	0	0	113.8	C170 R175 H186 H190	C170-C173 PolarHBondContact O-N 2.95Å; C173-R175 PolarHBondContact O-N 3.01Å; C173-H186 PolarHBondContact SG-NE2 2.91Å; C173-H190 PolarHBondContact SG-CE1 3.04Å; C173-H190 PolarHBondContact SG-NE2 2.62Å; C173-H190 VanDerWaalsContact SG-NE2 3.35Å
174	D	59.6	Low	65	Low	122 Å²	122	97.6 Å²	97.6	65%	0.652	47%	0.473	S	S	*	.			trans	52.9	5.4	178.2	-64.2	-62.8	0	0	0	118.4	C170 T176	C170-D174 VanDerWaalsContact O-CA 3.26Å; C170-D174 WeakPolarHBondContact O-CA 3.49Å; C170-D174 PolarHBondContact O-N 3.19Å; D174-T176 PolarHBondContact O-N 3.15Å
175	R	63.1	Low	65.8	Low	158 Å²	158	91 Å²	91	60%	0.596	46%	0.457	S	S	*	.			trans	-62.6	124	178.8	-73.6	-179.9	-178.1	-166.4	-1.8	111.1	C170 C173 Y177	C170-R175 WeakPolarHBondContact CB-O 3.3Å; C170-R175 PolarHBondContact N-O 3.47Å; C173-R175 PolarHBondContact O-N 3.01Å; R175-Y177 HydrophobicContact CB-CE2 3.69Å; R175-Y177 VanDerWaalsContact O-CD2 3.31Å; R175-Y177 WeakPolarHBondContact O-CD2 3.3Å; R175-Y177 VanDerWaalsContact O-CE2 3.26Å; R175-Y177 WeakPolarHBondContact O-CE2 3.43Å
176	T	73.3	Confident	66.6	Low	59 Å²	59	87.6 Å²	87.6	36%	0.362	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.5	-178.3	55.7	0	0	0	0	111.9	R166 K169 D174	R166-T176 WeakPolarHBondContact CD-O 3.5Å; R166-T176 WeakPolarHBondContact CD-OG1 3.37Å; K169-T176 HydrophobicContact CB-CG2 4.05Å; D174-T176 PolarHBondContact O-N 3.15Å
177	Y	74.5	Confident	67.2	Low	53 Å²	53	83.8 Å²	83.8	21%	0.208	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.8	-177.1	-66.1	-87.6	0	0	0	111.5	R166 F168 R175 L183 H186	R166-Y177 CarbonylContact C-O 3.51Å; F168-Y177 WeakPolarHBondContact CB-O 3.44Å; F168-Y177 PolarHBondContact N-O 3.08Å; F168-Y177 WeakPolarHBondContact O-CB 3.22Å; F168-Y177 PolarHBondContact O-N 2.97Å; R175-Y177 HydrophobicContact CB-CE2 3.69Å; R175-Y177 VanDerWaalsContact O-CD2 3.31Å; R175-Y177 WeakPolarHBondContact O-CD2 3.3Å; R175-Y177 VanDerWaalsContact O-CE2 3.26Å; R175-Y177 WeakPolarHBondContact O-CE2 3.43Å; Y177-L183 HydrophobicContact CD2-CB 4.21Å; Y177-L183 HydrophobicContact CD2-CD1 4.1Å; Y177-L183 HydrophobicContact CG-CB 4.39Å; Y177-H186 HydrophobicContact CE1-CB 4.33Å; Y177-H186 HydrophobicContact CE2-CB 4.02Å; Y177-H186 AromaticContact CE2-CD2 3.3Å; Y177-H186 WeakPolarHBondContact CE2-CD2 3.39Å; Y177-H186 AromaticContact CE2-CG 3.78Å; Y177-H186 AromaticContact CZ-CD2 3.58Å; Y177-H186 AromaticContact CZ-CG 3.6Å; Y177-H186 PolarHBondContact OH-CD2 2.86Å; Y177-H186 VanDerWaalsContact OH-CD2 3.28Å; Y177-H186 PolarHBondContact OH-ND1 2.62Å
178	R	69.6	Low	67.2	Low	131 Å²	131	85.1 Å²	85.1	49%	0.494	42%	0.421	S	S	.	.	S	Bend	trans	-82.1	-19.5	179.9	-154.9	-177.5	-170.7	97.4	9	113.5	D165 F168	D165-R178 IonicContact OD1-CZ 3.42Å; D165-R178 IonicContact OD1-NH1 3.85Å; D165-R178 PolarHBondContact OD1-NH1 2.98Å; D165-R178 IonicContact OD1-NH2 2.6Å; D165-R178 PolarHBondContact OD1-NH2 3.31Å; D165-R178 IonicContact OD2-CZ 2.69Å; D165-R178 IonicContact OD2-NH1 3.76Å; D165-R178 PolarHBondContact OD2-NH1 3.13Å; D165-R178 IonicContact OD2-NH2 2.65Å; D165-R178 PolarHBondContact OD2-NH2 3.39Å; F168-R178 WeakPolarHBondContact CE2-O 3.44Å
179	H	70.9	Confident	66.7	Low	117 Å²	117	84 Å²	84	54%	0.542	42%	0.421	S	S	.	.	S	Bend	trans	-139.6	141.9	-177.3	-54.1	-64.3	0	0	0	111.9	G181 S182 L183	H179-G181 VanDerWaalsContact C-N 3.34Å; H179-G181 PolarHBondContact O-N 3.27Å; H179-S182 WeakPolarHBondContact O-CB 3.35Å; H179-S182 PolarHBondContact O-N 3.08Å; H179-S182 VanDerWaalsContact O-N 3.11Å; H179-L183 PolarHBondContact O-N 3.42Å
180	H	59.3	Low	66.4	Low	117 Å²	117	79.1 Å²	79.1	54%	0.542	40%	0.401	S	S	.	.	H	α-helix	trans	-55	-43.4	-179.3	-175.8	-116.9	0	0	0	113.6	F168 S182 L183 V184	F168-H180 HydrophobicContact CD1-CB 3.99Å; F168-H180 HydrophobicContact CE1-CB 3.79Å; F168-H180 HydrophobicContact CZ-CB 4.19Å; H180-S182 VanDerWaalsContact C-N 3.27Å; H180-S182 PolarHBondContact O-N 3.34Å; H180-L183 WeakPolarHBondContact O-CB 3.06Å; H180-L183 PolarHBondContact O-N 2.98Å; H180-L183 VanDerWaalsContact O-N 3.13Å; H180-V184 WeakPolarHBondContact O-CG2 3.3Å; H180-V184 PolarHBondContact O-N 3.07Å
181	G	63.8	Low	65.7	Low	52 Å²	52	85 Å²	85	54%	0.536	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-32	178.9	0	0	0	0	0	114	H179 N185	H179-G181 VanDerWaalsContact C-N 3.34Å; H179-G181 PolarHBondContact O-N 3.27Å; G181-N185 PolarHBondContact O-N 2.74Å; G181-N185 VanDerWaalsContact O-N 3.07Å
182	S	70.9	Confident	65	Low	54 Å²	54	86.8 Å²	86.8	38%	0.378	43%	0.433	S	S	.	.	H	α-helix	trans	-69.6	-40.2	175.2	-50.5	0	0	0	0	111.6	H179 H180 N185 H186	H179-S182 WeakPolarHBondContact O-CB 3.35Å; H179-S182 PolarHBondContact O-N 3.08Å; H179-S182 VanDerWaalsContact O-N 3.11Å; H180-S182 VanDerWaalsContact C-N 3.27Å; H180-S182 PolarHBondContact O-N 3.34Å; S182-N185 PolarHBondContact O-N 2.98Å; S182-H186 WeakPolarHBondContact O-CB 3.46Å; S182-H186 PolarHBondContact O-N 3.45Å
183	L	71.8	Confident	64.9	Low	12 Å²	12	82.1 Å²	82.1	6%	0.063	42%	0.419	C	S	.	.	H	α-helix	trans	-63	-47.1	173	171.6	60.8	0	0	0	111.2	F168 K169 C170 Y177 H179 H180 N185 H186 K187	F168-L183 HydrophobicContact CB-CB 4.17Å; F168-L183 HydrophobicContact CB-CD2 3.94Å; K169-L183 WeakPolarHBondContact O-CD2 3.43Å; C170-L183 HydrophobicContact CB-CD1 3.65Å; Y177-L183 HydrophobicContact CD2-CB 4.21Å; Y177-L183 HydrophobicContact CD2-CD1 4.1Å; Y177-L183 HydrophobicContact CG-CB 4.39Å; H179-L183 PolarHBondContact O-N 3.42Å; H180-L183 WeakPolarHBondContact O-CB 3.06Å; H180-L183 PolarHBondContact O-N 2.98Å; H180-L183 VanDerWaalsContact O-N 3.13Å; L183-N185 VanDerWaalsContact C-N 3.31Å; L183-N185 PolarHBondContact O-N 3.4Å; L183-H186 CarbonylContact O-C 3.38Å; L183-H186 WeakPolarHBondContact O-CA 3.41Å; L183-H186 WeakPolarHBondContact O-CB 3.5Å; L183-H186 PolarHBondContact O-N 3.33Å; L183-K187 HydrophobicContact CD1-CG 4.04Å; L183-K187 HydrophobicContact CG-CG 4.43Å; L183-K187 PolarHBondContact O-N 3.4Å
184	V	69.4	Low	64.3	Low	63 Å²	63	84.9 Å²	84.9	38%	0.382	44%	0.435	S	S	.	.	H	α-helix	trans	-58.7	-41.9	178.3	171.8	0	0	0	0	111.6	H180 H186 K187	H180-V184 WeakPolarHBondContact O-CG2 3.3Å; H180-V184 PolarHBondContact O-N 3.07Å; V184-H186 VanDerWaalsContact C-N 3.3Å; V184-H186 PolarHBondContact O-N 3.38Å; V184-K187 PolarHBondContact O-N 3.15Å
185	N	61.1	Low	64.2	Low	121 Å²	121	82.2 Å²	82.2	65%	0.647	42%	0.417	S	S	*	.	H	α-helix	trans	-69.5	-28.9	176.7	-159.4	42.5	0	0	0	112.7	G181 S182 L183	G181-N185 PolarHBondContact O-N 2.74Å; G181-N185 VanDerWaalsContact O-N 3.07Å; S182-N185 PolarHBondContact O-N 2.98Å; L183-N185 VanDerWaalsContact C-N 3.31Å; L183-N185 PolarHBondContact O-N 3.4Å
186	H	69.6	Low	64	Low	25 Å²	25	81.3 Å²	81.3	12%	0.116	42%	0.418	C	S	.	.	H	α-helix	trans	-74.6	-40.1	173.8	172.8	51.1	0	0	0	113.1	C170 C173 Y177 S182 L183 V184 K188 C189 H190	C170-H186 PolarHBondContact SG-CD2 3.29Å; C173-H186 PolarHBondContact SG-NE2 2.91Å; Y177-H186 HydrophobicContact CE1-CB 4.33Å; Y177-H186 HydrophobicContact CE2-CB 4.02Å; Y177-H186 AromaticContact CE2-CD2 3.3Å; Y177-H186 WeakPolarHBondContact CE2-CD2 3.39Å; Y177-H186 AromaticContact CE2-CG 3.78Å; Y177-H186 AromaticContact CZ-CD2 3.58Å; Y177-H186 AromaticContact CZ-CG 3.6Å; Y177-H186 PolarHBondContact OH-CD2 2.86Å; Y177-H186 VanDerWaalsContact OH-CD2 3.28Å; Y177-H186 PolarHBondContact OH-ND1 2.62Å; S182-H186 WeakPolarHBondContact O-CB 3.46Å; S182-H186 PolarHBondContact O-N 3.45Å; L183-H186 CarbonylContact O-C 3.38Å; L183-H186 WeakPolarHBondContact O-CA 3.41Å; L183-H186 WeakPolarHBondContact O-CB 3.5Å; L183-H186 PolarHBondContact O-N 3.33Å; V184-H186 VanDerWaalsContact C-N 3.3Å; V184-H186 PolarHBondContact O-N 3.38Å; H186-K188 PolarHBondContact O-N 3.3Å; H186-C189 WeakPolarHBondContact O-CA 3.4Å; H186-C189 WeakPolarHBondContact O-CB 3.47Å; H186-C189 PolarHBondContact O-N 3.08Å; H186-H190 AromaticContact CD2-NE2 3.96Å; H186-H190 AromaticContact CE1-CE1 3.61Å; H186-H190 AromaticContact CE1-NE2 3.24Å; H186-H190 PolarHBondContact CE1-NE2 2.96Å; H186-H190 AromaticContact NE2-CE1 3.84Å; H186-H190 AromaticContact NE2-NE2 3.09Å; H186-H190 PolarHBondContact NE2-NE2 3.44Å
187	K	66.4	Low	63.8	Low	79 Å²	79	78.5 Å²	78.5	34%	0.343	40%	0.401	S	S	.	.	H	α-helix	trans	-57.4	-35	176.8	-69.3	-162.7	-173.1	-159.6	0	112.4	D171 L183 V184 C189 H190	D171-K187 WeakPolarHBondContact OD1-CE 3.48Å; D171-K187 IonicContact OD1-NZ 2.78Å; D171-K187 PolarHBondContact OD1-NZ 3.17Å; D171-K187 IonicContact OD2-NZ 3.15Å; D171-K187 PolarHBondContact OD2-NZ 3.11Å; L183-K187 HydrophobicContact CD1-CG 4.04Å; L183-K187 HydrophobicContact CG-CG 4.43Å; L183-K187 PolarHBondContact O-N 3.4Å; V184-K187 PolarHBondContact O-N 3.15Å; K187-C189 PolarHBondContact O-N 3.22Å; K187-C189 VanDerWaalsContact O-N 3.09Å; K187-H190 PolarHBondContact O-N 3.32Å
188	K	63.3	Low	63.2	Low	131 Å²	131	80.6 Å²	80.6	57%	0.57	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.3	172.6	-67.8	-177.4	178.4	-173.6	0	114.4	H186	H186-K188 PolarHBondContact O-N 3.3Å
189	C	56.9	Low	63	Low	48 Å²	48	78.1 Å²	78.1	32%	0.324	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-22.3	176	-151.8	0	0	0	0	112.8	H186 K187 N206	H186-C189 WeakPolarHBondContact O-CA 3.4Å; H186-C189 WeakPolarHBondContact O-CB 3.47Å; H186-C189 PolarHBondContact O-N 3.08Å; K187-C189 PolarHBondContact O-N 3.22Å; K187-C189 VanDerWaalsContact O-N 3.09Å; C189-N206 PolarHBondContact O-ND2 3.38Å; C189-N206 PolarHBondContact SG-ND2 3.26Å; C189-N206 VanDerWaalsContact SG-ND2 3.35Å
190	H	60.9	Low	63	Low	41 Å²	41	74.5 Å²	74.5	19%	0.19	41%	0.41	C	S	.	.	S	Bend	trans	-88.4	-5	177.6	-59.4	-52.8	0	0	0	113.8	Q172 C173 H186 K187 Q192	Q172-H190 HydrophobicContact CB-CB 4.42Å; C173-H190 PolarHBondContact SG-CE1 3.04Å; C173-H190 PolarHBondContact SG-NE2 2.62Å; C173-H190 VanDerWaalsContact SG-NE2 3.35Å; H186-H190 AromaticContact CD2-NE2 3.96Å; H186-H190 AromaticContact CE1-CE1 3.61Å; H186-H190 AromaticContact CE1-NE2 3.24Å; H186-H190 PolarHBondContact CE1-NE2 2.96Å; H186-H190 AromaticContact NE2-CE1 3.84Å; H186-H190 AromaticContact NE2-NE2 3.09Å; H186-H190 PolarHBondContact NE2-NE2 3.44Å; K187-H190 PolarHBondContact O-N 3.32Å; H190-Q192 PolarHBondContact O-N 3.12Å
191	Q	60.8	Low	63	Low	122 Å²	122	76.3 Å²	76.3	57%	0.57	42%	0.416	S	S	*	.			trans	-71.7	77	170.5	-162.8	167.8	24.8	0	0	109.3
192	Q	52.6	Low	62.8	Low	142 Å²	142	80.4 Å²	80.4	66%	0.664	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	144.9	-178.8	-68.3	-171.6	4.7	0	0	111.1	H190 S205 N206	H190-Q192 PolarHBondContact O-N 3.12Å; Q192-S205 VanDerWaalsContact CA-O 3.26Å; Q192-S205 WeakPolarHBondContact CA-O 3.08Å; Q192-S205 WeakPolarHBondContact CB-O 3.5Å; Q192-N206 HydrophobicContact CG-CB 4.23Å
193	G	58.5	Low	62.5	Low	29 Å²	29	83.3 Å²	83.3	30%	0.299	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	154.4	-171.6	0	0	0	0	0	108	F195 S205	G193-F195 VanDerWaalsContact C-N 3.3Å; G193-F195 WeakPolarHBondContact O-CD2 2.96Å; G193-F195 WeakPolarHBondContact O-CE2 2.99Å; G193-F195 PolarHBondContact O-N 3.02Å; G193-S205 PolarHBondContact N-O 3.2Å; G193-S205 CarbonylContact O-C 3.46Å; G193-S205 VanDerWaalsContact O-O 3.08Å
194	T	54.3	Low	62.3	Low	107 Å²	107	85 Å²	85	66%	0.656	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	69.3	-170.3	57.3	0	0	0	0	111.3	K196 Q203	T194-K196 PolarHBondContact O-N 3.09Å; T194-Q203 WeakPolarHBondContact O-CG 3.31Å; T194-Q203 PolarHBondContact O-NE2 2.75Å; T194-Q203 PolarHBondContact OG1-NE2 3.29Å
195	F	57	Low	61.8	Low	65 Å²	65	86 Å²	86	29%	0.285	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	113.3	-175.7	-54.9	-81.5	0	0	0	111.3	G193 F204 L207 L210	G193-F195 VanDerWaalsContact C-N 3.3Å; G193-F195 WeakPolarHBondContact O-CD2 2.96Å; G193-F195 WeakPolarHBondContact O-CE2 2.99Å; G193-F195 PolarHBondContact O-N 3.02Å; F195-F204 PolarHBondContact N-O 3Å; F195-F204 PolarHBondContact O-N 2.94Å; F195-L207 HydrophobicContact CD1-CD1 4.06Å; F195-L207 HydrophobicContact CD2-CB 4.04Å; F195-L207 HydrophobicContact CE1-CB 4.46Å; F195-L207 HydrophobicContact CE1-CD1 4.3Å; F195-L207 HydrophobicContact CE2-CB 3.82Å; F195-L207 HydrophobicContact CG-CB 4.48Å; F195-L207 HydrophobicContact CG-CD1 4.25Å; F195-L207 HydrophobicContact CZ-CB 4.05Å; F195-L210 HydrophobicContact CB-CB 4.35Å; F195-L210 HydrophobicContact CB-CD2 3.61Å
196	K	59.1	Low	61.8	Low	140 Å²	140	81.3 Å²	81.3	61%	0.609	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	131	178.7	54.8	-174.7	176.6	-179.1	0	111.4	T194 K202 Q203	T194-K196 PolarHBondContact O-N 3.09Å; K196-K202 WeakPolarHBondContact CA-O 3.14Å; K196-Q203 HydrophobicContact CB-CB 4.34Å; K196-Q203 HydrophobicContact CB-CG 4.11Å
197	C	68.3	Low	61.5	Low	0 Å²	0	83 Å²	83	0%	0	43%	0.428	C	S	.	.			trans	-72.2	125.9	-178.8	-179.3	0	0	0	0	111.6	V199 F201 K202 F204 L210 E214	C197-V199 PolarHBondContact O-N 3.21Å; C197-V199 VanDerWaalsContact O-N 3.09Å; C197-F201 WeakPolarHBondContact O-CA 3.34Å; C197-F201 PolarHBondContact O-N 2.98Å; C197-K202 PolarHBondContact N-O 2.85Å; C197-F204 HydrophobicContact CB-CE2 4.13Å; C197-L210 HydrophobicContact CB-CD1 3.45Å; C197-L210 VanDerWaalsContact CB-CD1 3.45Å; C197-E214 VanDerWaalsContact SG-CG 3.52Å; C197-E214 PolarHBondContact SG-OE1 3.26Å
198	S	62.9	Low	61.3	Low	96 Å²	96	81.2 Å²	81.2	67%	0.671	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-6.9	-175.3	-53.7	0	0	0	0	114.9
199	V	64.5	Low	61.5	Low	80 Å²	80	76.9 Å²	76.9	49%	0.485	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-34.7	-177.9	-176.8	0	0	0	0	112.6	C197 H217	C197-V199 PolarHBondContact O-N 3.21Å; C197-V199 VanDerWaalsContact O-N 3.09Å; V199-H217 HydrophobicContact CG1-CB 4.39Å
200	C	70.4	Confident	62.1	Low	41 Å²	41	75.2 Å²	75.2	28%	0.277	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	2.1	-175.4	70.2	0	0	0	0	114	K202 H213 H217	C200-K202 PolarHBondContact O-N 3.46Å; C200-H213 PolarHBondContact SG-NE2 3.48Å; C200-H217 PolarHBondContact SG-NE2 3.49Å
201	F	60.6	Low	62.4	Low	155 Å²	155	77 Å²	77	68%	0.68	42%	0.416	S	S	*	.			trans	56.4	2.2	-179	-58.1	-75.5	0	0	0	117.1	C197	C197-F201 WeakPolarHBondContact O-CA 3.34Å; C197-F201 PolarHBondContact O-N 2.98Å
202	K	60.4	Low	62.7	Low	137 Å²	137	74.2 Å²	74.2	60%	0.596	41%	0.409	S	S	*	.			trans	-61.3	137.4	172.4	-64	-171.3	177.8	-172.1	0	110.7	K196 C197 C200 F204	K196-K202 WeakPolarHBondContact CA-O 3.14Å; C197-K202 PolarHBondContact N-O 2.85Å; C200-K202 PolarHBondContact O-N 3.46Å; K202-F204 HydrophobicContact CB-CE2 3.76Å; K202-F204 HydrophobicContact CB-CZ 3.97Å; K202-F204 WeakPolarHBondContact O-CD2 3.3Å; K202-F204 VanDerWaalsContact O-CE2 3.24Å; K202-F204 WeakPolarHBondContact O-CE2 3.39Å
203	Q	63.6	Low	63.7	Low	116 Å²	116	69.5 Å²	69.5	54%	0.542	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.7	-174.3	-158.4	162.2	32.6	0	0	111.1	T194 K196	T194-Q203 WeakPolarHBondContact O-CG 3.31Å; T194-Q203 PolarHBondContact O-NE2 2.75Å; T194-Q203 PolarHBondContact OG1-NE2 3.29Å; K196-Q203 HydrophobicContact CB-CB 4.34Å; K196-Q203 HydrophobicContact CB-CG 4.11Å
204	F	67	Low	63.9	Low	48 Å²	48	71 Å²	71	21%	0.211	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.2	-174.2	-61.8	-89.6	0	0	0	109.5	F195 C197 K202 N206 A209 L210 H213	F195-F204 PolarHBondContact N-O 3Å; F195-F204 PolarHBondContact O-N 2.94Å; C197-F204 HydrophobicContact CB-CE2 4.13Å; K202-F204 HydrophobicContact CB-CE2 3.76Å; K202-F204 HydrophobicContact CB-CZ 3.97Å; K202-F204 WeakPolarHBondContact O-CD2 3.3Å; K202-F204 VanDerWaalsContact O-CE2 3.24Å; K202-F204 WeakPolarHBondContact O-CE2 3.39Å; F204-N206 VanDerWaalsContact C-N 3.34Å; F204-N206 PolarHBondContact O-N 3.15Å; F204-A209 HydrophobicContact CB-CB 4.42Å; F204-A209 HydrophobicContact CD1-CB 4.3Å; F204-L210 HydrophobicContact CB-CB 4.23Å; F204-L210 HydrophobicContact CD2-CB 4.39Å; F204-L210 HydrophobicContact CD2-CD1 3.79Å; F204-L210 HydrophobicContact CE2-CD1 4.18Å; F204-L210 HydrophobicContact CG-CB 4.46Å; F204-H213 HydrophobicContact CE1-CB 4.12Å; F204-H213 HydrophobicContact CE2-CB 4.23Å; F204-H213 AromaticContact CE2-CD2 3.38Å; F204-H213 WeakPolarHBondContact CE2-CD2 3.45Å; F204-H213 AromaticContact CE2-CG 3.97Å; F204-H213 HydrophobicContact CZ-CB 3.81Å; F204-H213 AromaticContact CZ-CD2 3.2Å; F204-H213 WeakPolarHBondContact CZ-CD2 3.31Å; F204-H213 AromaticContact CZ-CG 3.45Å; F204-H213 VanDerWaalsContact CZ-CG 3.45Å; F204-H213 AromaticContact CZ-NE2 3.81Å
205	S	59.6	Low	64.4	Low	82 Å²	82	73 Å²	73	57%	0.573	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	-12.1	-173.7	49.6	0	0	0	0	114.8	Q192 G193	Q192-S205 VanDerWaalsContact CA-O 3.26Å; Q192-S205 WeakPolarHBondContact CA-O 3.08Å; Q192-S205 WeakPolarHBondContact CB-O 3.5Å; G193-S205 PolarHBondContact N-O 3.2Å; G193-S205 CarbonylContact O-C 3.46Å; G193-S205 VanDerWaalsContact O-O 3.08Å
206	N	61.9	Low	64.6	Low	23 Å²	23	73.4 Å²	73.4	12%	0.123	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.5	169.4	75.7	8.7	0	0	0	112.9	C189 Q192 F204 A208 A209 L210	C189-N206 PolarHBondContact O-ND2 3.38Å; C189-N206 PolarHBondContact SG-ND2 3.26Å; C189-N206 VanDerWaalsContact SG-ND2 3.35Å; Q192-N206 HydrophobicContact CG-CB 4.23Å; F204-N206 VanDerWaalsContact C-N 3.34Å; F204-N206 PolarHBondContact O-N 3.15Å; N206-A208 PolarHBondContact O-N 3.19Å; N206-A209 PolarHBondContact O-N 3.15Å; N206-A209 WeakPolarHBondContact OD1-CB 3.25Å; N206-A209 PolarHBondContact OD1-N 2.71Å; N206-L210 PolarHBondContact O-N 3.32Å
207	L	63.1	Low	64.6	Low	61 Å²	61	68.8 Å²	68.8	32%	0.319	37%	0.37	S	S	.	.	H	α-helix	trans	-67.4	-25.2	-175.5	-172.7	57.6	0	0	0	112.6	F195 L210 N211	F195-L207 HydrophobicContact CD1-CD1 4.06Å; F195-L207 HydrophobicContact CD2-CB 4.04Å; F195-L207 HydrophobicContact CE1-CB 4.46Å; F195-L207 HydrophobicContact CE1-CD1 4.3Å; F195-L207 HydrophobicContact CE2-CB 3.82Å; F195-L207 HydrophobicContact CG-CB 4.48Å; F195-L207 HydrophobicContact CG-CD1 4.25Å; F195-L207 HydrophobicContact CZ-CB 4.05Å; L207-L210 HydrophobicContact CD1-CD2 4.43Å; L207-N211 WeakPolarHBondContact CD1-ND2 3.39Å; L207-N211 WeakPolarHBondContact O-CB 3.3Å; L207-N211 PolarHBondContact O-N 2.78Å; L207-N211 PolarHBondContact O-ND2 2.75Å
208	A	62.4	Low	63.9	Low	42 Å²	42	72.4 Å²	72.4	35%	0.347	40%	0.396	S	S	.	.	H	α-helix	trans	-70.5	-41.8	177.4	0	0	0	0	0	112.7	N206 N211 S212	N206-A208 PolarHBondContact O-N 3.19Å; A208-N211 PolarHBondContact O-N 2.79Å; A208-S212 PolarHBondContact O-N 3.16Å
209	A	66.1	Low	63.5	Low	40 Å²	40	76 Å²	76	33%	0.331	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-42.9	173.5	0	0	0	0	0	110.8	F204 N206 S212 H213	F204-A209 HydrophobicContact CB-CB 4.42Å; F204-A209 HydrophobicContact CD1-CB 4.3Å; N206-A209 PolarHBondContact O-N 3.15Å; N206-A209 WeakPolarHBondContact OD1-CB 3.25Å; N206-A209 PolarHBondContact OD1-N 2.71Å; A209-S212 PolarHBondContact O-N 3Å; A209-S212 VanDerWaalsContact O-N 3.1Å; A209-H213 PolarHBondContact O-N 3.18Å
210	L	69.5	Low	62.4	Low	12 Å²	12	81.9 Å²	81.9	6%	0.063	42%	0.419	C	S	.	.	H	α-helix	trans	-58.2	-51.4	173.5	178.1	59.1	0	0	0	111.3	F195 C197 F204 N206 L207 S212 H213 E214	F195-L210 HydrophobicContact CB-CB 4.35Å; F195-L210 HydrophobicContact CB-CD2 3.61Å; C197-L210 HydrophobicContact CB-CD1 3.45Å; C197-L210 VanDerWaalsContact CB-CD1 3.45Å; F204-L210 HydrophobicContact CB-CB 4.23Å; F204-L210 HydrophobicContact CD2-CB 4.39Å; F204-L210 HydrophobicContact CD2-CD1 3.79Å; F204-L210 HydrophobicContact CE2-CD1 4.18Å; F204-L210 HydrophobicContact CG-CB 4.46Å; N206-L210 PolarHBondContact O-N 3.32Å; L207-L210 HydrophobicContact CD1-CD2 4.43Å; L210-S212 PolarHBondContact O-N 3.33Å; L210-S212 VanDerWaalsContact O-N 3.13Å; L210-H213 CarbonylContact O-C 3.25Å; L210-H213 WeakPolarHBondContact O-CA 3.46Å; L210-H213 PolarHBondContact O-N 2.86Å; L210-E214 HydrophobicContact CD1-CG 3.77Å; L210-E214 HydrophobicContact CG-CG 4.27Å; L210-E214 PolarHBondContact O-N 3.11Å
211	N	67.1	Low	60.5	Low	80 Å²	80	86.7 Å²	86.7	43%	0.428	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-21.3	176.9	-86.4	-92.4	0	0	0	113.4	L207 A208 R215	L207-N211 WeakPolarHBondContact CD1-ND2 3.39Å; L207-N211 WeakPolarHBondContact O-CB 3.3Å; L207-N211 PolarHBondContact O-N 2.78Å; L207-N211 PolarHBondContact O-ND2 2.75Å; A208-N211 PolarHBondContact O-N 2.79Å; N211-R215 WeakPolarHBondContact O-CG 3.25Å; N211-R215 PolarHBondContact O-N 3.49Å; N211-R215 PolarHBondContact O-NE 3.47Å
212	S	68.9	Low	59.2	Low	62 Å²	62	85.2 Å²	85.2	43%	0.434	44%	0.439	S	S	.	.	H	α-helix	trans	-82.2	-31.7	171.4	-152	0	0	0	0	112.8	A208 A209 L210 R215	A208-S212 PolarHBondContact O-N 3.16Å; A209-S212 PolarHBondContact O-N 3Å; A209-S212 VanDerWaalsContact O-N 3.1Å; L210-S212 PolarHBondContact O-N 3.33Å; L210-S212 VanDerWaalsContact O-N 3.13Å; S212-R215 PolarHBondContact OG-NH2 3.13Å
213	H	71.6	Confident	57.7	Low	44 Å²	44	84.6 Å²	84.6	20%	0.204	45%	0.449	C	S	.	.	H	α-helix	trans	-76.6	-38.3	174	-174.9	53.1	0	0	0	112.3	C200 F204 A209 L210 R215 T216 H217	C200-H213 PolarHBondContact SG-NE2 3.48Å; F204-H213 HydrophobicContact CE1-CB 4.12Å; F204-H213 HydrophobicContact CE2-CB 4.23Å; F204-H213 AromaticContact CE2-CD2 3.38Å; F204-H213 WeakPolarHBondContact CE2-CD2 3.45Å; F204-H213 AromaticContact CE2-CG 3.97Å; F204-H213 HydrophobicContact CZ-CB 3.81Å; F204-H213 AromaticContact CZ-CD2 3.2Å; F204-H213 WeakPolarHBondContact CZ-CD2 3.31Å; F204-H213 AromaticContact CZ-CG 3.45Å; F204-H213 VanDerWaalsContact CZ-CG 3.45Å; F204-H213 AromaticContact CZ-NE2 3.81Å; A209-H213 PolarHBondContact O-N 3.18Å; L210-H213 CarbonylContact O-C 3.25Å; L210-H213 WeakPolarHBondContact O-CA 3.46Å; L210-H213 PolarHBondContact O-N 2.86Å; H213-R215 PolarHBondContact O-N 2.7Å; H213-T216 PolarHBondContact ND1-OG1 3.35Å; H213-T216 WeakPolarHBondContact O-CA 3.45Å; H213-T216 WeakPolarHBondContact O-CB 3.43Å; H213-T216 PolarHBondContact O-N 2.82Å; H213-T216 PolarHBondContact O-OG1 3.02Å; H213-H217 AromaticContact CD2-CD2 3.97Å; H213-H217 AromaticContact CD2-NE2 3.49Å; H213-H217 PolarHBondContact CD2-NE2 3.39Å; H213-H217 AromaticContact CE1-NE2 3.49Å; H213-H217 PolarHBondContact CE1-NE2 3.15Å; H213-H217 AromaticContact NE2-CD2 3.89Å; H213-H217 AromaticContact NE2-CE1 3.81Å; H213-H217 AromaticContact NE2-NE2 2.98Å; H213-H217 PolarHBondContact NE2-NE2 3.43Å; H213-H217 PolarHBondContact O-CD2 2.92Å; H213-H217 PolarHBondContact O-N 3.23Å; H213-H217 VanDerWaalsContact O-N 3.16Å
214	E	63.9	Low	56	Low	60 Å²	60	82.6 Å²	82.6	28%	0.28	46%	0.46	S	S	.	.	H	α-helix	trans	-67.9	-25.3	173.6	-72.4	-180	156.2	0	0	111.9	C197 L210 T216 H217 S218	C197-E214 VanDerWaalsContact SG-CG 3.52Å; C197-E214 PolarHBondContact SG-OE1 3.26Å; L210-E214 HydrophobicContact CD1-CG 3.77Å; L210-E214 HydrophobicContact CG-CG 4.27Å; L210-E214 PolarHBondContact O-N 3.11Å; E214-T216 VanDerWaalsContact C-N 3.25Å; E214-T216 PolarHBondContact O-N 3.22Å; E214-H217 PolarHBondContact O-N 3.01Å; E214-S218 WeakPolarHBondContact O-CB 3.43Å; E214-S218 PolarHBondContact O-N 3.45Å
215	R	65.3	Low	54.1	Low	148 Å²	148	84.8 Å²	84.8	56%	0.558	49%	0.486	S	S	*	.	H	α-helix	trans	-73.6	-6.8	164.1	-77.8	179.9	-65.8	145.2	4.2	115.2	N211 S212 H213 S218 K219	N211-R215 WeakPolarHBondContact O-CG 3.25Å; N211-R215 PolarHBondContact O-N 3.49Å; N211-R215 PolarHBondContact O-NE 3.47Å; S212-R215 PolarHBondContact OG-NH2 3.13Å; H213-R215 PolarHBondContact O-N 2.7Å; R215-S218 WeakPolarHBondContact CA-OG 3.45Å; R215-K219 WeakPolarHBondContact O-CG 3.45Å
216	T	60.9	Low	52.5	Low	74 Å²	74	87.4 Å²	87.4	45%	0.454	50%	0.499	S	S	.	.	H	α-helix	trans	-88.8	-36	163.9	63.1	0	0	0	0	111.4	H213 E214 K219	H213-T216 PolarHBondContact ND1-OG1 3.35Å; H213-T216 WeakPolarHBondContact O-CA 3.45Å; H213-T216 WeakPolarHBondContact O-CB 3.43Å; H213-T216 PolarHBondContact O-N 2.82Å; H213-T216 PolarHBondContact O-OG1 3.02Å; E214-T216 VanDerWaalsContact C-N 3.25Å; E214-T216 PolarHBondContact O-N 3.22Å; T216-K219 PolarHBondContact O-N 3.17Å
217	H	57.8	Low	50.8	Low	43 Å²	43	94.2 Å²	94.2	20%	0.199	53%	0.532	C	S	.	.	H	α-helix	trans	-65.7	-39	168.6	-63.6	-57	0	0	0	112.1	V199 C200 H213 E214 K219 F220 K221	V199-H217 HydrophobicContact CG1-CB 4.39Å; C200-H217 PolarHBondContact SG-NE2 3.49Å; H213-H217 AromaticContact CD2-CD2 3.97Å; H213-H217 AromaticContact CD2-NE2 3.49Å; H213-H217 PolarHBondContact CD2-NE2 3.39Å; H213-H217 AromaticContact CE1-NE2 3.49Å; H213-H217 PolarHBondContact CE1-NE2 3.15Å; H213-H217 AromaticContact NE2-CD2 3.89Å; H213-H217 AromaticContact NE2-CE1 3.81Å; H213-H217 AromaticContact NE2-NE2 2.98Å; H213-H217 PolarHBondContact NE2-NE2 3.43Å; H213-H217 PolarHBondContact O-CD2 2.92Å; H213-H217 PolarHBondContact O-N 3.23Å; H213-H217 VanDerWaalsContact O-N 3.16Å; E214-H217 PolarHBondContact O-N 3.01Å; H217-K219 PolarHBondContact O-N 3.3Å; H217-K219 VanDerWaalsContact O-N 3.12Å; H217-F220 CarbonylContact O-C 3.34Å; H217-F220 PolarHBondContact O-N 2.63Å; H217-K221 WeakPolarHBondContact O-CB 3.4Å; H217-K221 PolarHBondContact O-N 3.16Å; H217-K221 VanDerWaalsContact O-N 3.14Å
218	S	55	Low	49	Very low	77 Å²	77	97.5 Å²	97.5	54%	0.538	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	1.1	175.5	90.6	0	0	0	0	114.2	E214 R215	E214-S218 WeakPolarHBondContact O-CB 3.43Å; E214-S218 PolarHBondContact O-N 3.45Å; R215-S218 WeakPolarHBondContact CA-OG 3.45Å
219	K	53	Low	47.4	Very low	172 Å²	172	100.2 Å²	100.2	75%	0.748	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-7.2	167.6	-78.7	-174.6	172.9	-165.4	0	113.3	R215 T216 H217	R215-K219 WeakPolarHBondContact O-CG 3.45Å; T216-K219 PolarHBondContact O-N 3.17Å; H217-K219 PolarHBondContact O-N 3.3Å; H217-K219 VanDerWaalsContact O-N 3.12Å
220	F	42	Very low	45.7	Very low	202 Å²	202	104 Å²	104	89%	0.886	60%	0.595	S	S	*	*	S	Bend	trans	-130.3	25.3	175.8	-79.1	-79.1	0	0	0	112.2	H217	H217-F220 CarbonylContact O-C 3.34Å; H217-F220 PolarHBondContact O-N 2.63Å
221	K	31.1	Very low	43.7	Very low	142 Å²	142	107 Å²	107	62%	0.617	63%	0.629	S	S	*	*			trans	-131.5	94.3	175.6	-171.2	170.3	-174.8	175.8	0	110.6	H217	H217-K221 WeakPolarHBondContact O-CB 3.4Å; H217-K221 PolarHBondContact O-N 3.16Å; H217-K221 VanDerWaalsContact O-N 3.14Å
222	T	33.5	Very low	41.8	Very low	124 Å²	124	108.8 Å²	108.8	76%	0.761	65%	0.654	S	S	*	*			trans	-59.8	143.6	149.6	39.7	0	0	0	0	108.7	G224	T222-G224 PolarHBondContact O-N 3.19Å; T222-G224 VanDerWaalsContact O-N 3.16Å
223	P	29.2	Very low	39.8	Very low	124 Å²	124	109.5 Å²	109.5	81%	0.805	67%	0.672	S	S	*	*			trans	-61.8	116.3	169	-22.3	34.4	0	0	0	109.9	A225	P223-A225 PolarHBondContact O-N 3.01Å; P223-A225 VanDerWaalsContact O-N 3.11Å
224	G	28.1	Very low	37.8	Very low	75 Å²	75	113.1 Å²	113.1	77%	0.773	70%	0.702	S	S	*	*			trans	-69.1	106.4	173.6	0	0	0	0	0	110.5	T222	T222-G224 PolarHBondContact O-N 3.19Å; T222-G224 VanDerWaalsContact O-N 3.16Å
225	A	26.7	Very low	36.1	Very low	93 Å²	93	115.3 Å²	115.3	77%	0.769	72%	0.724	S	S	*	*			trans	15.1	125.1	164.1	0	0	0	0	0	119.8	P223	P223-A225 PolarHBondContact O-N 3.01Å; P223-A225 VanDerWaalsContact O-N 3.11Å
226	T	25.2	Very low	34.2	Very low	137 Å²	137	115.2 Å²	115.2	84%	0.84	73%	0.734	S	S	*	*			trans	-126.9	104.6	140	48.9	0	0	0	0	110.7
227	M	25.7	Very low	32.6	Very low	166 Å²	166	119.2 Å²	119.2	82%	0.818	75%	0.747	S	S	*	*			trans	70.3	125.9	150.3	-56.4	-54.8	-165.1	0	0	121.5
228	V	26.6	Very low	31	Very low	130 Å²	130	123.1 Å²	123.1	79%	0.788	77%	0.769	S	S	*	*			trans	71	126.1	132.5	172.8	0	0	0	0	117.3
229	S	28.5	Very low	29.5	Very low	100 Å²	100	123.9 Å²	123.9	70%	0.699	78%	0.775	S	S	*	*			cis	-157.4	175	4.8	-127.9	0	0	0	0	114.4
230	S	30.6	Very low	28.1	Very low	120 Å²	120	123 Å²	123	84%	0.839	77%	0.773	S	S	*	*			trans	3.1	148.9	155.8	-50.6	0	0	0	0	121.1
231	G	26.8	Very low	27.5	Very low	74 Å²	74	123.3 Å²	123.3	76%	0.763	77%	0.768	S	S	*	*			cis	175	-177.7	6.3	0	0	0	0	0	112.8
232	A	28.4	Very low	27.3	Very low	117 Å²	117	121.3 Å²	121.3	97%	0.967	77%	0.772	S	S	*	*			trans	-67.4	151	-172.7	0	0	0	0	0	114.7
233	G	25.5	Very low	27	Very low	78 Å²	78	120.6 Å²	120.6	80%	0.804	78%	0.779	S	S	*	*			trans	175	70.9	177.1	0	0	0	0	0	116.8
234	S	29	Very low	26.7	Very low	120 Å²	120	118.6 Å²	118.6	84%	0.839	78%	0.781	S	S	*	*			trans	-13.7	135.5	163.2	-47.8	0	0	0	0	121.1
235	S	29.1	Very low	26.8	Very low	105 Å²	105	120.3 Å²	120.3	73%	0.734	78%	0.781	S	S	*	*				99.3	138.4	128.5	-133.9	0	0	0	0	122.3
236	L	25.9	Very low	26.6	Very low	146 Å²	146	124.9 Å²	124.9	76%	0.764	79%	0.787	S	S	*	*			trans	70.7	122.1	146.7	-76.5	163	0	0	0	122.7
237	H	27	Very low	26.5	Very low	158 Å²	158	123 Å²	123	73%	0.731	78%	0.779	S	S	*	*			trans	75	131.1	133.8	-105.3	-109.7	0	0	0	123.5
238	D	23.5	Very low	26.6	Very low	125 Å²	125	120 Å²	120	67%	0.668	78%	0.775	S	S	*	*			trans	94.1	144.4	132.7	-113.2	-52.2	0	0	0	124.8
239	S	24.6	Very low	26.6	Very low	93 Å²	93	123.3 Å²	123.3	65%	0.65	78%	0.781	S	S	*	*			trans	57.5	122.5	143.4	-75.9	0	0	0	0	124.7
240	E	22.7	Very low	26.6	Very low	153 Å²	153	124 Å²	124	72%	0.715	79%	0.786	S	S	*	*				65.5	102.5	124.8	-63.5	-119	95.7	0	0	122.7
241	R	30.4	Very low	26.6	Very low	209 Å²	209	126.4 Å²	126.4	79%	0.789	79%	0.79	S	S	*	*				79.6	141.1	105.8	-151.5	-179.5	-175.5	-161.6	2.9	121.3
242	S	26.6	Very low	27.2	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	80%	0.797	S	S	*	*			trans	82.9	109.1	156.9	-74.6	0	0	0	0	121.9
243	A	26.8	Very low	27.6	Very low	109 Å²	109	132.2 Å²	132.2	90%	0.901	79%	0.79	S	S	*	*				63.3	135.3	127.8	0	0	0	0	0	121.8
244	G	22.9	Very low	28.5	Very low	83 Å²	83	132.6 Å²	132.6	86%	0.856	79%	0.785	S	S	*	*			trans	138.2	120.6	166.1	0	0	0	0	0	112.7
245	S	29.2	Very low	29.7	Very low	111 Å²	111	131 Å²	131	78%	0.776	77%	0.774	S	S	*	*			trans	-106	125.5	-178.9	57.5	0	0	0	0	112.2
246	Q	24.5	Very low	31.2	Very low	189 Å²	189	127.1 Å²	127.1	88%	0.883	75%	0.747	S	S	*	*			trans	-170.4	153.4	144.2	-109.7	163.4	48.6	0	0	114.4
247	S	21.4	Very low	32.5	Very low	96 Å²	96	124.1 Å²	124.1	67%	0.671	73%	0.728	S	S	*	*			trans	40.6	104.4	155.4	59.4	0	0	0	0	121.7
248	S	27.6	Very low	34.5	Very low	105 Å²	105	116.7 Å²	116.7	73%	0.734	69%	0.694	S	S	*	*			trans	46.6	109.7	130	62.1	0	0	0	0	121.3
249	Q	27.7	Very low	35.8	Very low	198 Å²	198	118.4 Å²	118.4	93%	0.925	70%	0.697	S	S	*	*				-158.6	176.2	108	-104.1	169.6	40.6	0	0	109.8
250	S	27.7	Very low	37.4	Very low	115 Å²	115	119.7 Å²	119.7	80%	0.804	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-102.8	123.7	-167.4	53.3	0	0	0	0	113.7
251	D	30.6	Very low	39.3	Very low	171 Å²	171	114.9 Å²	114.9	91%	0.914	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-61.2	147.4	176.2	-75.3	-58.6	0	0	0	114.3
252	E	39.4	Very low	40.7	Very low	196 Å²	196	112.5 Å²	112.5	92%	0.916	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-98.7	151.2	172.4	-149.1	174.8	138.6	0	0	111.5
253	S	38.3	Very low	42.5	Very low	117 Å²	117	111.8 Å²	111.8	82%	0.818	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-92.6	128.4	-158.7	55.8	0	0	0	0	115.5
254	A	43.6	Very low	43.8	Very low	85 Å²	85	110 Å²	110	70%	0.702	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-81.7	130.6	-179.2	0	0	0	0	0	115.3
255	S	53.1	Low	46	Very low	86 Å²	86	107.8 Å²	107.8	60%	0.601	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-71.9	160.2	161	54.2	0	0	0	0	112	P266	S255-P266 VanDerWaalsContact CA-O 3.3Å; S255-P266 WeakPolarHBondContact CA-O 3.41Å; S255-P266 VanDerWaalsContact CB-O 3.28Å; S255-P266 WeakPolarHBondContact CB-O 3.43Å
256	C	60.6	Low	47.3	Very low	24 Å²	24	106.6 Å²	106.6	16%	0.162	61%	0.608	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.9	138.5	-170	-68.2	0	0	0	0	113.3	L265 F271	C256-L265 PolarHBondContact N-O 2.85Å; C256-L265 WeakPolarHBondContact O-CA 3.39Å; C256-L265 PolarHBondContact O-N 3.06Å; C256-F271 HydrophobicContact CB-CB 3.57Å; C256-F271 HydrophobicContact CB-CD1 3.42Å; C256-F271 VanDerWaalsContact CB-CD1 3.42Å; C256-F271 HydrophobicContact CB-CD2 3.88Å; C256-F271 HydrophobicContact CB-CE1 3.96Å; C256-F271 HydrophobicContact CB-CE2 4.39Å; C256-F271 HydrophobicContact CB-CG 3.34Å; C256-F271 HydrophobicContact CB-CZ 4.41Å
257	F	54.9	Low	49	Very low	83 Å²	83	101.9 Å²	101.9	36%	0.364	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.3	135.1	-170.4	-176.1	-83.4	0	0	0	112.1	H259 Q262 A264 F271	F257-H259 AromaticContact CD1-CE1 3.58Å; F257-H259 AromaticContact CD1-ND1 3.63Å; F257-H259 AromaticContact CE1-ND1 3.72Å; F257-Q262 HydrophobicContact CE1-CB 4.49Å; F257-Q262 HydrophobicContact CZ-CB 4.04Å; F257-A264 HydrophobicContact CD2-CB 3.66Å; F257-A264 HydrophobicContact CE2-CB 4.09Å; F257-F271 WeakPolarHBondContact O-CE2 3.38Å
258	C	67.5	Low	50.8	Low	2 Å²	2	104 Å²	104	1%	0.014	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	105.1	-178.4	-161.1	0	0	0	0	113.2	L260 C261 Q262 I263 F271 H274	C258-L260 PolarHBondContact O-N 2.95Å; C258-C261 PolarHBondContact O-N 3.02Å; C258-Q262 WeakPolarHBondContact O-CA 3.47Å; C258-Q262 PolarHBondContact O-N 3.39Å; C258-I263 PolarHBondContact N-O 3.19Å; C258-F271 HydrophobicContact CB-CD2 4.28Å; C258-F271 HydrophobicContact CB-CE2 3.89Å; C258-H274 VanDerWaalsContact CB-CD2 3.44Å; C258-H274 WeakPolarHBondContact CB-CD2 3.47Å; C258-H274 VanDerWaalsContact CB-NE2 3.27Å; C258-H274 WeakPolarHBondContact CB-NE2 3.38Å
259	H	50.9	Low	52.5	Low	162 Å²	162	102.3 Å²	102.3	75%	0.75	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-13	178.3	-55.9	-76.6	0	0	0	114.4	F257	F257-H259 AromaticContact CD1-CE1 3.58Å; F257-H259 AromaticContact CD1-ND1 3.63Å; F257-H259 AromaticContact CE1-ND1 3.72Å
260	L	59.3	Low	54.3	Low	120 Å²	120	96 Å²	96	63%	0.628	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-23.3	179.1	-71.4	162.2	0	0	0	113.7	C258 H278	C258-L260 PolarHBondContact O-N 2.95Å; L260-H278 HydrophobicContact CD1-CB 4.19Å
261	C	61.7	Low	56.2	Low	52 Å²	52	92.2 Å²	92.2	35%	0.351	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	3.7	176.2	63.7	0	0	0	0	114.2	C258 H274 H278	C258-C261 PolarHBondContact O-N 3.02Å; C261-H274 PolarHBondContact SG-CE1 2.83Å; C261-H274 PolarHBondContact SG-NE2 3.01Å; C261-H278 PolarHBondContact SG-NE2 2.85Å
262	Q	60.3	Low	57.6	Low	158 Å²	158	89 Å²	89	74%	0.738	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	34	176.2	-53.8	-171.3	44.5	0	0	115.7	F257 C258	F257-Q262 HydrophobicContact CE1-CB 4.49Å; F257-Q262 HydrophobicContact CZ-CB 4.04Å; C258-Q262 WeakPolarHBondContact O-CA 3.47Å; C258-Q262 PolarHBondContact O-N 3.39Å
263	I	63.8	Low	59	Low	86 Å²	86	86.3 Å²	86.3	44%	0.441	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.5	175.6	-60.2	179.4	0	0	0	110.7	C258 L265	C258-I263 PolarHBondContact N-O 3.19Å; I263-L265 HydrophobicContact CG2-CD2 4.25Å; I263-L265 HydrophobicContact CG2-CG 4.33Å
264	A	55.7	Low	60.6	Low	72 Å²	72	82.4 Å²	82.4	60%	0.595	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.1	171.5	0	0	0	0	0	110.6	F257	F257-A264 HydrophobicContact CD2-CB 3.66Å; F257-A264 HydrophobicContact CE2-CB 4.09Å
265	L	68.1	Low	61.6	Low	36 Å²	36	80.4 Å²	80.4	19%	0.188	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133	178.1	-66.9	168.2	0	0	0	110.2	C256 I263 N267 F271 H274	C256-L265 PolarHBondContact N-O 2.85Å; C256-L265 WeakPolarHBondContact O-CA 3.39Å; C256-L265 PolarHBondContact O-N 3.06Å; I263-L265 HydrophobicContact CG2-CD2 4.25Å; I263-L265 HydrophobicContact CG2-CG 4.33Å; L265-N267 VanDerWaalsContact C-N 3.25Å; L265-N267 PolarHBondContact O-N 3.32Å; L265-F271 HydrophobicContact CB-CB 4.39Å; L265-F271 HydrophobicContact CD1-CB 4.27Å; L265-H274 HydrophobicContact CD1-CB 3.56Å
266	P	57.1	Low	62.2	Low	86 Å²	86	81.5 Å²	81.5	56%	0.558	43%	0.431	S	S	*	.	S	Bend	trans	-68.4	-27	-171.1	28.2	-35.3	0	0	0	112.5	S255	S255-P266 VanDerWaalsContact CA-O 3.3Å; S255-P266 WeakPolarHBondContact CA-O 3.41Å; S255-P266 VanDerWaalsContact CB-O 3.28Å; S255-P266 WeakPolarHBondContact CB-O 3.43Å
267	N	60.5	Low	62.3	Low	89 Å²	89	86.5 Å²	86.5	48%	0.476	46%	0.455	S	S	.	.	S	Bend	trans	-123.3	143.3	-172.8	-56.9	-2	0	0	0	111.5	L265 A269 D270 F271	L265-N267 VanDerWaalsContact C-N 3.25Å; L265-N267 PolarHBondContact O-N 3.32Å; N267-A269 VanDerWaalsContact C-N 3.26Å; N267-A269 PolarHBondContact O-N 3.31Å; N267-D270 PolarHBondContact O-N 3.21Å; N267-F271 PolarHBondContact O-N 3.33Å
268	K	57.6	Low	62.8	Low	142 Å²	142	86.5 Å²	86.5	62%	0.617	46%	0.456	S	S	*	.	H	α-helix	trans	-64.7	-24.8	177.6	-171.4	166.5	-177.8	172.6	0	114.2	Q272	K268-Q272 WeakPolarHBondContact O-CB 3.37Å; K268-Q272 PolarHBondContact O-N 3.46Å; K268-Q272 VanDerWaalsContact O-N 3.13Å
269	A	64.9	Low	62.3	Low	69 Å²	69	91.8 Å²	91.8	57%	0.57	48%	0.484	S	S	*	.	H	α-helix	trans	-68.5	-54.3	176.9	0	0	0	0	0	111.4	N267 F271 Q272 E273	N267-A269 VanDerWaalsContact C-N 3.26Å; N267-A269 PolarHBondContact O-N 3.31Å; A269-F271 PolarHBondContact O-N 3.33Å; A269-Q272 WeakPolarHBondContact O-CA 3.24Å; A269-Q272 WeakPolarHBondContact O-CB 3.3Å; A269-Q272 PolarHBondContact O-N 3.34Å; A269-E273 PolarHBondContact O-N 2.81Å; A269-E273 VanDerWaalsContact O-N 3.08Å
270	D	64.3	Low	62.3	Low	65 Å²	65	90 Å²	90	35%	0.348	49%	0.485	S	S	.	.	H	α-helix	trans	-56.3	-40.4	178.1	-40	-1.8	0	0	0	110.5	N267 E273 H274	N267-D270 PolarHBondContact O-N 3.21Å; D270-E273 PolarHBondContact O-N 3.25Å; D270-H274 WeakPolarHBondContact O-CB 3.47Å; D270-H274 PolarHBondContact O-N 2.95Å
271	F	68.7	Low	61.1	Low	36 Å²	36	88.7 Å²	88.7	16%	0.158	49%	0.492	C	S	.	.	H	α-helix	trans	-62.7	-38.4	173.5	175	-111.1	0	0	0	114	C256 F257 C258 L265 N267 A269 H274 I275	C256-F271 HydrophobicContact CB-CB 3.57Å; C256-F271 HydrophobicContact CB-CD1 3.42Å; C256-F271 VanDerWaalsContact CB-CD1 3.42Å; C256-F271 HydrophobicContact CB-CD2 3.88Å; C256-F271 HydrophobicContact CB-CE1 3.96Å; C256-F271 HydrophobicContact CB-CE2 4.39Å; C256-F271 HydrophobicContact CB-CG 3.34Å; C256-F271 HydrophobicContact CB-CZ 4.41Å; F257-F271 WeakPolarHBondContact O-CE2 3.38Å; C258-F271 HydrophobicContact CB-CD2 4.28Å; C258-F271 HydrophobicContact CB-CE2 3.89Å; L265-F271 HydrophobicContact CB-CB 4.39Å; L265-F271 HydrophobicContact CD1-CB 4.27Å; N267-F271 PolarHBondContact O-N 3.33Å; A269-F271 PolarHBondContact O-N 3.33Å; F271-H274 PolarHBondContact O-N 3.41Å; F271-I275 HydrophobicContact CD1-CD1 4.44Å; F271-I275 HydrophobicContact CD2-CD1 4.32Å; F271-I275 HydrophobicContact CE1-CD1 3.76Å; F271-I275 HydrophobicContact CE2-CD1 3.57Å; F271-I275 HydrophobicContact CE2-CG1 4.13Å; F271-I275 HydrophobicContact CZ-CD1 3.28Å; F271-I275 HydrophobicContact CZ-CG1 4.3Å; F271-I275 PolarHBondContact O-N 2.83Å
272	Q	59.8	Low	59.7	Low	104 Å²	104	91.8 Å²	91.8	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-68.5	-40.7	177.9	-161.7	73.2	55.2	0	0	111.4	K268 A269 L276	K268-Q272 WeakPolarHBondContact O-CB 3.37Å; K268-Q272 PolarHBondContact O-N 3.46Å; K268-Q272 VanDerWaalsContact O-N 3.13Å; A269-Q272 WeakPolarHBondContact O-CA 3.24Å; A269-Q272 WeakPolarHBondContact O-CB 3.3Å; A269-Q272 PolarHBondContact O-N 3.34Å; Q272-L276 WeakPolarHBondContact O-CG 3.47Å; Q272-L276 PolarHBondContact O-N 3.43Å; Q272-L276 VanDerWaalsContact O-N 3.16Å
273	E	68.1	Low	58.6	Low	139 Å²	139	89.8 Å²	89.8	65%	0.65	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-43.4	173.6	-176.4	167.8	-151.7	0	0	111.5	A269 D270 I275 L276 L277	A269-E273 PolarHBondContact O-N 2.81Å; A269-E273 VanDerWaalsContact O-N 3.08Å; D270-E273 PolarHBondContact O-N 3.25Å; E273-I275 PolarHBondContact O-N 3.28Å; E273-L276 WeakPolarHBondContact O-CB 3.43Å; E273-L276 PolarHBondContact O-N 3.28Å; E273-L276 VanDerWaalsContact O-N 3.1Å; E273-L277 PolarHBondContact O-N 3.44Å
274	H	72.7	Confident	56.7	Low	34 Å²	34	89.4 Å²	89.4	16%	0.157	52%	0.52	C	S	.	.	H	α-helix	trans	-61.4	-38.8	176.5	176.3	82.1	0	0	0	113.2	C258 C261 L265 D270 F271 L277	C258-H274 VanDerWaalsContact CB-CD2 3.44Å; C258-H274 WeakPolarHBondContact CB-CD2 3.47Å; C258-H274 VanDerWaalsContact CB-NE2 3.27Å; C258-H274 WeakPolarHBondContact CB-NE2 3.38Å; C261-H274 PolarHBondContact SG-CE1 2.83Å; C261-H274 PolarHBondContact SG-NE2 3.01Å; L265-H274 HydrophobicContact CD1-CB 3.56Å; D270-H274 WeakPolarHBondContact O-CB 3.47Å; D270-H274 PolarHBondContact O-N 2.95Å; F271-H274 PolarHBondContact O-N 3.41Å; H274-L277 PolarHBondContact O-N 3.39Å
275	I	64.1	Low	55.7	Low	44 Å²	44	89.1 Å²	89.1	23%	0.226	51%	0.507	C	S	.	.	H	α-helix	trans	-70.2	-30.4	172.5	-79.8	-176.8	0	0	0	112.8	F271 E273 L277 H278 N279	F271-I275 HydrophobicContact CD1-CD1 4.44Å; F271-I275 HydrophobicContact CD2-CD1 4.32Å; F271-I275 HydrophobicContact CE1-CD1 3.76Å; F271-I275 HydrophobicContact CE2-CD1 3.57Å; F271-I275 HydrophobicContact CE2-CG1 4.13Å; F271-I275 HydrophobicContact CZ-CD1 3.28Å; F271-I275 HydrophobicContact CZ-CG1 4.3Å; F271-I275 PolarHBondContact O-N 2.83Å; E273-I275 PolarHBondContact O-N 3.28Å; I275-L277 VanDerWaalsContact C-N 3.3Å; I275-L277 PolarHBondContact O-N 3.31Å; I275-H278 PolarHBondContact O-N 2.83Å; I275-N279 PolarHBondContact O-ND2 3.08Å
276	L	65.1	Low	53.5	Low	109 Å²	109	90 Å²	90	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-64.9	-35.4	174.8	-75.5	163.4	0	0	0	111.7	Q272 E273 H278 N279	Q272-L276 WeakPolarHBondContact O-CG 3.47Å; Q272-L276 PolarHBondContact O-N 3.43Å; Q272-L276 VanDerWaalsContact O-N 3.16Å; E273-L276 WeakPolarHBondContact O-CB 3.43Å; E273-L276 PolarHBondContact O-N 3.28Å; E273-L276 VanDerWaalsContact O-N 3.1Å; L276-H278 VanDerWaalsContact C-N 3.28Å; L276-H278 PolarHBondContact O-N 2.75Å; L276-N279 PolarHBondContact O-N 2.97Å; L276-N279 VanDerWaalsContact O-N 3.14Å
277	L	63.6	Low	52.4	Low	128 Å²	128	89.1 Å²	89.1	67%	0.67	52%	0.516	S	S	*	.	H	α-helix	trans	-64.1	-28.9	175	-65.6	171.5	0	0	0	113.5	E273 H274 I275 N279 T280	E273-L277 PolarHBondContact O-N 3.44Å; H274-L277 PolarHBondContact O-N 3.39Å; I275-L277 VanDerWaalsContact C-N 3.3Å; I275-L277 PolarHBondContact O-N 3.31Å; L277-N279 VanDerWaalsContact C-N 3.33Å; L277-T280 PolarHBondContact O-OG1 2.98Å
278	H	64.1	Low	50.9	Low	83 Å²	83	90.8 Å²	90.8	38%	0.384	53%	0.531	S	S	.	.	H	α-helix	trans	-75.5	-18.4	174.8	-81.6	-74.6	0	0	0	113.8	L260 C261 I275 L276	L260-H278 HydrophobicContact CD1-CB 4.19Å; C261-H278 PolarHBondContact SG-NE2 2.85Å; I275-H278 PolarHBondContact O-N 2.83Å; L276-H278 VanDerWaalsContact C-N 3.28Å; L276-H278 PolarHBondContact O-N 2.75Å
279	N	59	Low	49.6	Very low	114 Å²	114	94.5 Å²	94.5	61%	0.61	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	4.8	-171.4	-81.9	-83.4	0	0	0	114.9	I275 L276 L277 A281	I275-N279 PolarHBondContact O-ND2 3.08Å; L276-N279 PolarHBondContact O-N 2.97Å; L276-N279 VanDerWaalsContact O-N 3.14Å; L277-N279 VanDerWaalsContact C-N 3.33Å; N279-A281 PolarHBondContact O-N 3.41Å
280	T	50.3	Low	48	Very low	124 Å²	124	94.2 Å²	94.2	76%	0.761	54%	0.536	S	S	*	.			trans	-94.4	37.6	-174.4	52.2	0	0	0	0	114.9	L277	L277-T280 PolarHBondContact O-OG1 2.98Å
281	A	34.2	Very low	46.8	Very low	93 Å²	93	99.9 Å²	99.9	77%	0.769	56%	0.557	S	S	*	*			trans	-133.7	130	169.4	0	0	0	0	0	110.7	N279	N279-A281 PolarHBondContact O-N 3.41Å
282	S	32.3	Very low	45.1	Very low	116 Å²	116	102.2 Å²	102.2	81%	0.811	58%	0.576	S	S	*	*			trans	-104.2	158.1	-176.8	-38.3	0	0	0	0	110.6
283	P	36.7	Very low	43.7	Very low	116 Å²	116	99.7 Å²	99.7	75%	0.753	58%	0.578	S	S	*	*				-156.2	-171.6	62.6	39.1	-15.6	0	0	0	118
284	S	24.6	Very low	41.9	Very low	79 Å²	79	99.3 Å²	99.3	55%	0.552	58%	0.579	S	S	*	*			trans	102.9	139.8	148.5	-55.6	0	0	0	0	120.8	I294 M295	S284-I294 CarbonylContact C-O 3.58Å; S284-I294 WeakPolarHBondContact CA-O 3.36Å; S284-I294 PolarHBondContact N-O 2.84Å; S284-M295 CarbonylContact C-O 3.58Å; S284-M295 VanDerWaalsContact CA-O 3.26Å; S284-M295 WeakPolarHBondContact CA-O 3.3Å; S284-M295 WeakPolarHBondContact CB-O 3.26Å
285	L	34.1	Very low	39.9	Very low	65 Å²	65	103 Å²	103	34%	0.34	60%	0.598	S	S	.	*			trans	-96.2	142.3	-170.5	-98.3	178	0	0	0	115.6	L287 P292 G293 I294 M295	L285-L287 HydrophobicContact CD2-CB 4.12Å; L285-P292 HydrophobicContact CD2-CB 3.46Å; L285-P292 VanDerWaalsContact CD2-CB 3.46Å; L285-G293 VanDerWaalsContact CD2-N 3.35Å; L285-G293 WeakPolarHBondContact CG-O 3.46Å; L285-I294 VanDerWaalsContact CG-N 3.33Å; L285-M295 HydrophobicContact CD1-SD 4.1Å; L285-M295 PolarHBondContact N-O 2.83Å
286	G	22.7	Very low	39	Very low	55 Å²	55	105.3 Å²	105.3	57%	0.567	62%	0.616	S	S	*	*			trans	-144.8	136.1	139.6	0	0	0	0	0	109.1	P292	G286-P292 WeakPolarHBondContact O-CB 3.28Å; G286-P292 WeakPolarHBondContact O-CG 3.21Å
287	L	33.4	Very low	37.2	Very low	67 Å²	67	109.7 Å²	109.7	35%	0.351	63%	0.633	S	S	.	*			trans	-148.3	95.7	-169.4	-175.7	176.6	0	0	0	116.5	L285 R289 F291 P292	L285-L287 HydrophobicContact CD2-CB 4.12Å; L287-R289 HydrophobicContact CD1-CG 4.12Å; L287-R289 HydrophobicContact CG-CG 4.01Å; L287-F291 VanDerWaalsContact CD2-C 3.42Å; L287-F291 WeakPolarHBondContact CD2-O 3.38Å; L287-P292 HydrophobicContact CB-CB 4.27Å; L287-P292 HydrophobicContact CD2-CB 4.12Å; L287-P292 HydrophobicContact CD2-CG 4.23Å
288	P	28.4	Very low	35.4	Very low	124 Å²	124	108.4 Å²	108.4	81%	0.805	63%	0.627	S	S	*	*	S	Bend	trans	-75.5	111.4	144.4	31.5	-28.2	0	0	0	108.7
289	R	30.9	Very low	33.6	Very low	220 Å²	220	110.7 Å²	110.7	83%	0.83	64%	0.641	S	S	*	*	S	Bend	trans	-56.4	142.5	-165	-67.8	175.1	178.3	155.2	-0.1	113.6	L287	L287-R289 HydrophobicContact CD1-CG 4.12Å; L287-R289 HydrophobicContact CG-CG 4.01Å
290	S	30.1	Very low	32	Very low	64 Å²	64	110.6 Å²	110.6	45%	0.448	65%	0.65	S	S	.	*	S	Bend	cis	-128	141.1	22.9	-65.4	0	0	0	0	114.1
291	F	40.8	Very low	31	Very low	184 Å²	184	108.8 Å²	108.8	81%	0.807	65%	0.647	S	S	*	*			trans	63.3	148.2	-169.6	-55.4	-84.1	0	0	0	115	L287	L287-F291 VanDerWaalsContact CD2-C 3.42Å; L287-F291 WeakPolarHBondContact CD2-O 3.38Å
292	P	31.7	Very low	30.7	Very low	84 Å²	84	110.3 Å²	110.3	55%	0.545	65%	0.646	S	S	.	*				105.6	109.6	-80.7	13.9	-33.6	0	0	0	119	L285 G286 L287	L285-P292 HydrophobicContact CD2-CB 3.46Å; L285-P292 VanDerWaalsContact CD2-CB 3.46Å; G286-P292 WeakPolarHBondContact O-CB 3.28Å; G286-P292 WeakPolarHBondContact O-CG 3.21Å; L287-P292 HydrophobicContact CB-CB 4.27Å; L287-P292 HydrophobicContact CD2-CB 4.12Å; L287-P292 HydrophobicContact CD2-CG 4.23Å
293	G	30.2	Very low	30.5	Very low	52 Å²	52	116.2 Å²	116.2	54%	0.536	65%	0.651	S	S	.	*			trans	-140.9	142.5	164.9	0	0	0	0	0	114.2	L285	L285-G293 VanDerWaalsContact CD2-N 3.35Å; L285-G293 WeakPolarHBondContact CG-O 3.46Å
294	I	30.3	Very low	29.9	Very low	131 Å²	131	116.1 Å²	116.1	67%	0.672	65%	0.653	S	S	*	*	S	Bend	trans	20.3	125.2	171.3	-58.9	170.3	0	0	0	118.5	S284 L285	S284-I294 CarbonylContact C-O 3.58Å; S284-I294 WeakPolarHBondContact CA-O 3.36Å; S284-I294 PolarHBondContact N-O 2.84Å; L285-I294 VanDerWaalsContact CG-N 3.33Å
295	M	31.2	Very low	31.2	Very low	110 Å²	110	118 Å²	118	54%	0.542	66%	0.664	S	S	.	*			cis	-166.9	-167.9	-5.2	-96.2	-57.2	-172.8	0	0	106.6	S284 L285	S284-M295 CarbonylContact C-O 3.58Å; S284-M295 VanDerWaalsContact CA-O 3.26Å; S284-M295 WeakPolarHBondContact CA-O 3.3Å; S284-M295 WeakPolarHBondContact CB-O 3.26Å; L285-M295 HydrophobicContact CD1-SD 4.1Å; L285-M295 PolarHBondContact N-O 2.83Å
296	P	44.2	Very low	31	Very low	94 Å²	94	119.3 Å²	119.3	61%	0.61	68%	0.683	S	S	*	*			cis	-121.7	-176.3	-42.2	40.8	-26.1	0	0	0	113.2
297	H	27.4	Very low	31.2	Very low	201 Å²	201	127 Å²	127	93%	0.931	70%	0.697	S	S	*	*			trans	-171.9	171	139.6	-107.3	-73.6	0	0	0	110.3
298	N	26	Very low	30.7	Very low	101 Å²	101	129 Å²	129	54%	0.54	71%	0.712	S	S	.	*			trans	-117.1	163.9	-158.7	-157.4	4.9	0	0	0	115.4	D472	N298-D472 PolarHBondContact ND2-OD1 3.35Å
299	L	27.1	Very low	31.6	Very low	130 Å²	130	128.4 Å²	128.4	68%	0.681	71%	0.708	S	S	*	*			trans	70.1	103.3	160.2	-75.9	154	0	0	0	122.2
300	S	26.3	Very low	31.7	Very low	113 Å²	113	122 Å²	122	79%	0.79	70%	0.703	S	S	*	*				101.5	152.6	118	81.5	0	0	0	0	123
301	A	28.9	Very low	31.9	Very low	86 Å²	86	127.6 Å²	127.6	71%	0.711	73%	0.726	S	S	*	*			trans	87.7	102.7	152.6	0	0	0	0	0	123.6
302	V	28.1	Very low	31.4	Very low	124 Å²	124	122.4 Å²	122.4	75%	0.752	73%	0.725	S	S	*	*				84.1	111	121.8	175.6	0	0	0	0	122.4
303	R	26.6	Very low	31.1	Very low	241 Å²	241	125.8 Å²	125.8	91%	0.909	74%	0.739	S	S	*	*			trans	72.5	145.2	143.6	-72.9	173.6	-174.1	174.5	1.3	123.4
304	S	25	Very low	31.4	Very low	113 Å²	113	129 Å²	129	79%	0.79	75%	0.75	S	S	*	*			trans	-97.8	-166.6	176.3	-33.1	0	0	0	0	110.7
305	P	52.7	Low	31.6	Very low	120 Å²	120	130.1 Å²	130.1	78%	0.779	76%	0.756	S	S	*	*			cis	-142.2	-176.7	-4.2	40.4	-20.4	0	0	0	117.5
306	A	28.4	Very low	31.7	Very low	91 Å²	91	130.5 Å²	130.5	75%	0.752	77%	0.767	S	S	*	*			trans	99	140.8	135.1	0	0	0	0	0	124.5
307	Y	27.1	Very low	31	Very low	216 Å²	216	133.9 Å²	133.9	85%	0.847	78%	0.779	S	S	*	*			trans	92.8	161.3	149.9	-116.5	-102.4	0	0	0	123.7
308	T	24.2	Very low	31.3	Very low	109 Å²	109	128.4 Å²	128.4	67%	0.669	76%	0.761	S	S	*	*			trans	-146.5	-167.6	-154.9	61.7	0	0	0	0	110.7
309	P	47.5	Very low	31.6	Very low	113 Å²	113	130.1 Å²	130.1	73%	0.734	78%	0.778	S	S	*	*			cis	-135	-155.3	-17.8	38.1	-16.3	0	0	0	114
310	A	32.6	Very low	31.7	Very low	86 Å²	86	130.9 Å²	130.9	71%	0.711	78%	0.782	S	S	*	*			trans	79.1	151.5	154	0	0	0	0	0	120
311	L	34.3	Very low	32.2	Very low	180 Å²	180	130.1 Å²	130.1	94%	0.942	77%	0.774	S	S	*	*			cis	-162.9	158.5	-12.2	-113	170.9	0	0	0	110.4
312	G	30.1	Very low	32.4	Very low	76 Å²	76	129.5 Å²	129.5	78%	0.784	77%	0.769	S	S	*	*			trans	140	129.3	162.4	0	0	0	0	0	118.3
313	D	24.4	Very low	32.6	Very low	155 Å²	155	128.1 Å²	128.1	83%	0.829	76%	0.758	S	S	*	*			trans	-110.2	178.5	177	-110.9	-43.1	0	0	0	110.7
314	P	37.9	Very low	32.8	Very low	119 Å²	119	123.6 Å²	123.6	77%	0.773	75%	0.745	S	S	*	*			cis	-132.4	179.6	10.8	41.4	-23.1	0	0	0	117.3
315	L	33.7	Very low	33.2	Very low	155 Å²	155	130.3 Å²	130.3	81%	0.812	75%	0.753	S	S	*	*			trans	-77.6	164	176.7	-63.7	171.5	0	0	0	115.1
316	P	34	Very low	32.4	Very low	117 Å²	117	127.8 Å²	127.8	76%	0.76	75%	0.748	S	S	*	*				-138.7	126.5	121.1	36.3	-24.6	0	0	0	117
317	L	29.1	Very low	33.4	Very low	166 Å²	166	129.2 Å²	129.2	87%	0.869	75%	0.75	S	S	*	*			trans	67.1	153.7	146.3	-61.6	176	0	0	0	121.7
318	P	33.8	Very low	33.6	Very low	86 Å²	86	128.8 Å²	128.8	56%	0.558	75%	0.748	S	S	*	*			trans	-113.3	164.3	-165.1	42.3	-33	0	0	0	114.9	L320	P318-L320 HydrophobicContact CB-CG 4.33Å; P318-L320 HydrophobicContact CG-CG 4.3Å
319	P	31.9	Very low	34	Very low	137 Å²	137	129.2 Å²	129.2	89%	0.89	75%	0.746	S	S	*	*				-99.9	112.8	124.2	-22.5	36.4	0	0	0	113.8
320	L	30	Very low	33.7	Very low	146 Å²	146	128.6 Å²	128.6	76%	0.764	74%	0.743	S	S	*	*			trans	-78.7	162.5	157.3	-70.1	171	0	0	0	109.3	P318	P318-L320 HydrophobicContact CB-CG 4.33Å; P318-L320 HydrophobicContact CG-CG 4.3Å
321	P	35.8	Very low	33.5	Very low	96 Å²	96	132 Å²	132	62%	0.623	75%	0.747	S	S	*	*				-141.1	-168.7	-54.1	40	-23.4	0	0	0	111.6
322	A	33	Very low	33.2	Very low	74 Å²	74	131.7 Å²	131.7	61%	0.612	74%	0.743	S	S	*	*			trans	75.9	138.9	146.5	0	0	0	0	0	119.5
323	D	32.3	Very low	33.1	Very low	95 Å²	95	130.7 Å²	130.7	51%	0.508	73%	0.732	S	S	.	*			cis	-157.7	137.9	-14.1	-109.7	-42.3	0	0	0	110.8	K566	D323-K566 WeakPolarHBondContact OD1-CE 3.48Å; D323-K566 IonicContact OD1-NZ 2.63Å; D323-K566 PolarHBondContact OD1-NZ 3.11Å; D323-K566 WeakPolarHBondContact OD2-CE 3.25Å; D323-K566 IonicContact OD2-NZ 3.45Å; D323-K566 PolarHBondContact OD2-NZ 3.14Å
324	K	31	Very low	33.5	Very low	146 Å²	146	129.1 Å²	129.1	64%	0.635	73%	0.731	S	S	*	*			trans	37.7	98.7	135.2	-59	175.3	-171.5	-163.9	0	117.6
325	R	33.3	Very low	33.3	Very low	254 Å²	254	128.7 Å²	128.7	96%	0.958	73%	0.728	S	S	*	*				-98.4	160.4	127	-68.9	-169.8	-175.9	-170	5.3	108.4
326	G	35.5	Very low	33.5	Very low	66 Å²	66	127.6 Å²	127.6	68%	0.68	73%	0.727	S	S	*	*			cis	-123.7	-127.5	-7.6	0	0	0	0	0	109.7
327	P	49.2	Very low	33.8	Very low	122 Å²	122	127.8 Å²	127.8	79%	0.792	72%	0.722	S	S	*	*			cis	-106.5	-166.4	-11.5	44	-33.3	0	0	0	109.3
328	Y	32.2	Very low	34.5	Very low	206 Å²	206	125.7 Å²	125.7	81%	0.808	71%	0.711	S	S	*	*			cis	-156.2	-178.6	-13.6	-127.2	-155.5	0	0	0	106.2
329	D	31.9	Very low	35.3	Very low	118 Å²	118	124 Å²	124	63%	0.631	70%	0.701	S	S	*	*			cis	-139.8	-145.8	9.8	-149.8	-14.3	0	0	0	109.4
330	P	41.1	Very low	36.6	Very low	101 Å²	101	123.6 Å²	123.6	66%	0.656	69%	0.69	S	S	*	*			trans	-128.9	-158.8	-141.7	43.8	-21.3	0	0	0	115.8
331	I	29.4	Very low	38	Very low	158 Å²	158	121.3 Å²	121.3	81%	0.81	67%	0.671	S	S	*	*			trans	78.7	83.2	178	-46.7	-173.6	0	0	0	114.7
332	M	28	Very low	39.5	Very low	173 Å²	173	120.8 Å²	120.8	85%	0.852	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-63.6	142.7	147.3	-60	-96.1	70.3	0	0	109.7
333	G	27.7	Very low	41.6	Very low	54 Å²	54	117.4 Å²	117.4	56%	0.557	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-81.2	158.8	145	0	0	0	0	0	109.1
334	P	32.6	Very low	43.2	Very low	123 Å²	123	117 Å²	117	80%	0.799	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-56.4	144.5	-178.7	-24.7	34.4	0	0	0	112.3
335	P	33.9	Very low	44.7	Very low	109 Å²	109	118.1 Å²	118.1	71%	0.708	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-62	141.4	172.2	28.2	-34.2	0	0	0	109.7	N337	P335-N337 VanDerWaalsContact C-N 3.32Å; P335-N337 PolarHBondContact O-N 2.9Å
336	V	38	Very low	46.6	Very low	132 Å²	132	109.4 Å²	109.4	80%	0.8	63%	0.627	S	S	*	*			trans	-74.1	92.6	170.7	-176.7	0	0	0	0	107.2	N338	V336-N338 PolarHBondContact O-N 3.02Å
337	N	39.7	Very low	48	Very low	122 Å²	122	109 Å²	109	65%	0.652	62%	0.623	S	S	*	*			trans	-58.9	105	164.5	-95.5	-7.8	0	0	0	107.3	P335 P339	P335-N337 VanDerWaalsContact C-N 3.32Å; P335-N337 PolarHBondContact O-N 2.9Å; N337-P339 VanDerWaalsContact O-CD 3.29Å; N337-P339 WeakPolarHBondContact O-CD 3.41Å
338	N	45.3	Very low	49.2	Very low	121 Å²	121	104.9 Å²	104.9	65%	0.647	60%	0.599	S	S	*	*			trans	-73.4	111.9	172.1	-139.8	58	0	0	0	105.9	V336 I340	V336-N338 PolarHBondContact O-N 3.02Å; N338-I340 PolarHBondContact O-N 2.97Å
339	P	49.2	Very low	50.9	Low	51 Å²	51	97 Å²	97	33%	0.331	58%	0.58	S	S	.	*			trans	-66.3	124.5	-169.3	24.6	-32.2	0	0	0	110.5	N337 Y341 G349 H350	N337-P339 VanDerWaalsContact O-CD 3.29Å; N337-P339 WeakPolarHBondContact O-CD 3.41Å; P339-Y341 VanDerWaalsContact C-N 3.3Å; P339-G349 VanDerWaalsContact CB-CA 3.42Å; P339-H350 CarbonylContact C-O 3.57Å; P339-H350 WeakPolarHBondContact CA-O 3.49Å; P339-H350 VanDerWaalsContact CB-N 3.28Å; P339-H350 VanDerWaalsContact CB-O 3.31Å; P339-H350 WeakPolarHBondContact CB-O 3.46Å
340	I	60.5	Low	52.8	Low	128 Å²	128	93.8 Å²	93.8	66%	0.656	56%	0.561	S	S	*	*	S	Bend	trans	-74.2	-28.9	-176.3	-60.6	175.4	0	0	0	110.2	N338 H350	N338-I340 PolarHBondContact O-N 2.97Å; I340-H350 PolarHBondContact N-O 3.11Å
341	Y	57.9	Low	53.9	Low	98 Å²	98	91.9 Å²	91.9	38%	0.384	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.4	-179.2	-55.6	-84.2	0	0	0	110.2	P339 G349 H350 D352 L353	P339-Y341 VanDerWaalsContact C-N 3.3Å; Y341-G349 WeakPolarHBondContact O-CA 3.27Å; Y341-H350 PolarHBondContact N-O 3.06Å; Y341-H350 PolarHBondContact O-N 3.39Å; Y341-D352 VanDerWaalsContact CD2-C 3.44Å; Y341-L353 HydrophobicContact CD1-CD1 4.05Å; Y341-L353 HydrophobicContact CD2-CB 4.4Å; Y341-L353 HydrophobicContact CE1-CB 4.45Å; Y341-L353 HydrophobicContact CE1-CD1 4.29Å; Y341-L353 HydrophobicContact CE2-CB 4.24Å; Y341-L353 HydrophobicContact CG-CD1 4.46Å
342	T	68.4	Low	55.9	Low	86 Å²	86	87.6 Å²	87.6	53%	0.528	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.5	-178.4	44.1	0	0	0	0	111.4	A348	T342-A348 CarbonylContact C-O 3.58Å; T342-A348 WeakPolarHBondContact CA-O 3.23Å
343	C	76.6	Confident	57.8	Low	3 Å²	3	83.1 Å²	83.1	2%	0.02	51%	0.507	C	S	.	.			trans	-76.2	123.5	177	-173.4	0	0	0	0	110.4	Y345 G347 A348 L356 H359 Y360	C343-Y345 VanDerWaalsContact C-N 3.26Å; C343-Y345 PolarHBondContact O-N 2.9Å; C343-G347 VanDerWaalsContact O-CA 3.23Å; C343-G347 WeakPolarHBondContact O-CA 3.25Å; C343-G347 PolarHBondContact O-N 3.23Å; C343-A348 HydrophobicContact CB-CB 4.43Å; C343-A348 PolarHBondContact N-O 2.66Å; C343-L356 HydrophobicContact CB-CD1 3.85Å; C343-H359 WeakPolarHBondContact CB-NE2 3.46Å; C343-H359 PolarHBondContact SG-NE2 2.94Å; C343-Y360 HydrophobicContact CB-CE2 4.29Å
344	A	65.6	Low	59.9	Low	86 Å²	86	85.9 Å²	85.9	71%	0.711	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.9	179.7	0	0	0	0	0	112.4	Y360	A344-Y360 VanDerWaalsContact CB-OH 3.3Å; A344-Y360 WeakPolarHBondContact CB-OH 3.43Å; A344-Y360 PolarHBondContact N-OH 2.75Å; A344-Y360 VanDerWaalsContact N-OH 3.14Å
345	Y	63.3	Low	61.8	Low	170 Å²	170	82.4 Å²	82.4	67%	0.667	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-30.1	-178.1	-67.1	-59.2	0	0	0	114.4	C343 Y360 H363	C343-Y345 VanDerWaalsContact C-N 3.26Å; C343-Y345 PolarHBondContact O-N 2.9Å; Y345-Y360 AromaticContact CD2-CD1 3.84Å; Y345-Y360 HydrophobicContact CD2-CD1 3.84Å; Y345-Y360 AromaticContact CD2-CE1 3.57Å; Y345-Y360 HydrophobicContact CD2-CE1 3.57Å; Y345-Y360 AromaticContact CE2-CD1 3.74Å; Y345-Y360 HydrophobicContact CE2-CD1 3.74Å; Y345-Y360 AromaticContact CE2-CE1 3.48Å; Y345-Y360 HydrophobicContact CE2-CE1 3.48Å; Y345-Y360 VanDerWaalsContact CE2-CE1 3.48Å; Y345-H363 HydrophobicContact CD2-CB 4.11Å
346	C	72.1	Confident	63.9	Low	71 Å²	71	77.9 Å²	77.9	48%	0.48	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	1.6	-177.1	69.6	0	0	0	0	115.7	A348 H359	C346-A348 PolarHBondContact O-N 3.13Å; C346-A348 VanDerWaalsContact SG-CB 3.58Å; C346-H359 VanDerWaalsContact SG-CE1 3.57Å; C346-H359 PolarHBondContact SG-NE2 3.43Å
347	G	65.9	Low	65.5	Low	57 Å²	57	76.1 Å²	76.1	59%	0.588	43%	0.433	S	S	*	.			trans	71.6	1.5	-179.7	0	0	0	0	0	115.3	C343 G349	C343-G347 VanDerWaalsContact O-CA 3.23Å; C343-G347 WeakPolarHBondContact O-CA 3.25Å; C343-G347 PolarHBondContact O-N 3.23Å; G347-G349 PolarHBondContact O-N 3.5Å
348	A	74.8	Confident	67.2	Low	36 Å²	36	75.1 Å²	75.1	30%	0.298	43%	0.431	S	S	.	.			trans	-61.2	132	177.3	0	0	0	0	0	110.8	T342 C343 C346	T342-A348 CarbonylContact C-O 3.58Å; T342-A348 WeakPolarHBondContact CA-O 3.23Å; C343-A348 HydrophobicContact CB-CB 4.43Å; C343-A348 PolarHBondContact N-O 2.66Å; C346-A348 PolarHBondContact O-N 3.13Å; C346-A348 VanDerWaalsContact SG-CB 3.58Å
349	G	66.6	Low	68.5	Low	39 Å²	39	70.7 Å²	70.7	40%	0.402	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.5	-176.9	0	0	0	0	0	112.4	P339 Y341 G347	P339-G349 VanDerWaalsContact CB-CA 3.42Å; Y341-G349 WeakPolarHBondContact O-CA 3.27Å; G347-G349 PolarHBondContact O-N 3.5Å
350	H	72.1	Confident	69.2	Low	51 Å²	51	72.1 Å²	72.1	24%	0.236	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.8	-176.1	-71.9	-96.1	0	0	0	111.5	P339 I340 Y341 D352 T355 L356 H359	P339-H350 CarbonylContact C-O 3.57Å; P339-H350 WeakPolarHBondContact CA-O 3.49Å; P339-H350 VanDerWaalsContact CB-N 3.28Å; P339-H350 VanDerWaalsContact CB-O 3.31Å; P339-H350 WeakPolarHBondContact CB-O 3.46Å; I340-H350 PolarHBondContact N-O 3.11Å; Y341-H350 PolarHBondContact N-O 3.06Å; Y341-H350 PolarHBondContact O-N 3.39Å; H350-D352 VanDerWaalsContact C-N 3.33Å; H350-T355 VanDerWaalsContact CE1-CA 3.46Å; H350-T355 WeakPolarHBondContact CE1-CA 3.39Å; H350-T355 WeakPolarHBondContact CE1-CB 3.29Å; H350-T355 PolarHBondContact CE1-O 3.01Å; H350-T355 PolarHBondContact CE1-OG1 3.13Å; H350-T355 PolarHBondContact ND1-O 3.41Å; H350-L356 HydrophobicContact CB-CB 3.9Å; H350-L356 HydrophobicContact CB-CD1 4.43Å; H350-H359 AromaticContact CD2-CD2 3.79Å; H350-H359 WeakPolarHBondContact NE2-CB 3.3Å; H350-H359 AromaticContact NE2-CG 3.54Å
351	P	65	Low	69.6	Low	62 Å²	62	73.1 Å²	73.1	40%	0.403	41%	0.412	S	S	.	.	S	Bend	trans	-70.6	-29.3	-178.2	29.2	-35.4	0	0	0	112.8
352	D	71.8	Confident	70	Confident	67 Å²	67	73.2 Å²	73.2	36%	0.358	42%	0.423	S	S	.	.	S	Bend	trans	-139.8	173.8	-177.3	58.6	57.2	0	0	0	111.1	Y341 H350 E354 T355 L356	Y341-D352 VanDerWaalsContact CD2-C 3.44Å; H350-D352 VanDerWaalsContact C-N 3.33Å; D352-E354 PolarHBondContact OD1-N 3.42Å; D352-E354 VanDerWaalsContact OD1-N 3.11Å; D352-T355 PolarHBondContact O-OG1 2.6Å; D352-T355 WeakPolarHBondContact OD1-CB 3.5Å; D352-T355 WeakPolarHBondContact OD1-CG2 3.46Å; D352-T355 PolarHBondContact OD1-N 2.86Å; D352-T355 PolarHBondContact OD1-OG1 3.46Å; D352-L356 PolarHBondContact O-N 3.29Å
353	L	66.6	Low	69.4	Low	80 Å²	80	72.1 Å²	72.1	42%	0.419	41%	0.411	S	S	.	.	H	α-helix	trans	-78.2	-22.8	-177.3	-173.5	62.8	0	0	0	112.8	Y341 L356 K357	Y341-L353 HydrophobicContact CD1-CD1 4.05Å; Y341-L353 HydrophobicContact CD2-CB 4.4Å; Y341-L353 HydrophobicContact CE1-CB 4.45Å; Y341-L353 HydrophobicContact CE1-CD1 4.29Å; Y341-L353 HydrophobicContact CE2-CB 4.24Å; Y341-L353 HydrophobicContact CG-CD1 4.46Å; L353-L356 PolarHBondContact O-N 3.05Å; L353-K357 WeakPolarHBondContact O-CG 3.47Å; L353-K357 PolarHBondContact O-N 3.39Å
354	E	71.6	Confident	67.8	Low	111 Å²	111	79.1 Å²	79.1	52%	0.519	45%	0.449	S	S	.	.	H	α-helix	trans	-80.1	-44.9	-175.3	-136.5	60.7	-147.7	0	0	111.3	D352 L356 K357 V358	D352-E354 PolarHBondContact OD1-N 3.42Å; D352-E354 VanDerWaalsContact OD1-N 3.11Å; E354-L356 PolarHBondContact O-N 3.47Å; E354-K357 WeakPolarHBondContact O-CB 3.28Å; E354-K357 PolarHBondContact O-N 3.4Å; E354-K357 VanDerWaalsContact OE1-CD 3.23Å; E354-K357 WeakPolarHBondContact OE1-CD 3.48Å; E354-K357 IonicContact OE1-NZ 2.62Å; E354-K357 PolarHBondContact OE1-NZ 3.22Å; E354-K357 IonicContact OE2-NZ 3.57Å; E354-K357 PolarHBondContact OE2-NZ 3.32Å; E354-V358 WeakPolarHBondContact O-CG2 3.25Å; E354-V358 PolarHBondContact O-N 3.41Å
355	T	72.1	Confident	67	Low	51 Å²	51	80.3 Å²	80.3	31%	0.313	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-32.1	168.4	56.1	0	0	0	0	111.8	H350 D352 H359	H350-T355 VanDerWaalsContact CE1-CA 3.46Å; H350-T355 WeakPolarHBondContact CE1-CA 3.39Å; H350-T355 WeakPolarHBondContact CE1-CB 3.29Å; H350-T355 PolarHBondContact CE1-O 3.01Å; H350-T355 PolarHBondContact CE1-OG1 3.13Å; H350-T355 PolarHBondContact ND1-O 3.41Å; D352-T355 PolarHBondContact O-OG1 2.6Å; D352-T355 WeakPolarHBondContact OD1-CB 3.5Å; D352-T355 WeakPolarHBondContact OD1-CG2 3.46Å; D352-T355 PolarHBondContact OD1-N 2.86Å; D352-T355 PolarHBondContact OD1-OG1 3.46Å; T355-H359 WeakPolarHBondContact O-CB 3.28Å; T355-H359 PolarHBondContact O-N 3.28Å; T355-H359 VanDerWaalsContact O-N 3.11Å
356	L	78.7	Confident	65.5	Low	13 Å²	13	80.5 Å²	80.5	7%	0.068	46%	0.456	C	S	.	.	H	α-helix	trans	-67.7	-43.9	171.2	-176.4	58.9	0	0	0	112.2	C343 H350 D352 L353 E354 H359 Y360	C343-L356 HydrophobicContact CB-CD1 3.85Å; H350-L356 HydrophobicContact CB-CB 3.9Å; H350-L356 HydrophobicContact CB-CD1 4.43Å; D352-L356 PolarHBondContact O-N 3.29Å; L353-L356 PolarHBondContact O-N 3.05Å; E354-L356 PolarHBondContact O-N 3.47Å; L356-H359 CarbonylContact O-C 3.43Å; L356-H359 PolarHBondContact O-N 2.82Å; L356-Y360 HydrophobicContact CD1-CD2 3.69Å; L356-Y360 HydrophobicContact CD1-CE2 3.77Å; L356-Y360 HydrophobicContact CD2-CD2 4.41Å; L356-Y360 HydrophobicContact CD2-CE2 4.05Å; L356-Y360 HydrophobicContact CG-CD2 3.75Å; L356-Y360 HydrophobicContact CG-CE2 3.87Å; L356-Y360 PolarHBondContact O-N 3.39Å
357	K	71.7	Confident	63.7	Low	95 Å²	95	82.3 Å²	82.3	41%	0.413	47%	0.466	S	S	.	.	H	α-helix	trans	-58.2	-50.4	175.3	-74.4	162.6	179.1	167.7	0	111.4	L353 E354 H359 Y360 L361	L353-K357 WeakPolarHBondContact O-CG 3.47Å; L353-K357 PolarHBondContact O-N 3.39Å; E354-K357 WeakPolarHBondContact O-CB 3.28Å; E354-K357 PolarHBondContact O-N 3.4Å; E354-K357 VanDerWaalsContact OE1-CD 3.23Å; E354-K357 WeakPolarHBondContact OE1-CD 3.48Å; E354-K357 IonicContact OE1-NZ 2.62Å; E354-K357 PolarHBondContact OE1-NZ 3.22Å; E354-K357 IonicContact OE2-NZ 3.57Å; E354-K357 PolarHBondContact OE2-NZ 3.32Å; K357-H359 PolarHBondContact O-N 2.67Å; K357-Y360 WeakPolarHBondContact O-CB 3.23Å; K357-Y360 PolarHBondContact O-N 2.63Å; K357-L361 VanDerWaalsContact O-CD1 3.28Å; K357-L361 WeakPolarHBondContact O-CD1 3.37Å; K357-L361 PolarHBondContact O-N 3.14Å
358	V	75.1	Confident	62.1	Low	102 Å²	102	85.6 Å²	85.6	62%	0.618	48%	0.478	S	S	*	.	H	α-helix	trans	-57.3	-37.6	178.6	172.2	0	0	0	0	111	E354 L361	E354-V358 WeakPolarHBondContact O-CG2 3.25Å; E354-V358 PolarHBondContact O-N 3.41Å; V358-L361 PolarHBondContact O-N 2.93Å
359	H	73.3	Confident	59.8	Low	27 Å²	27	89.6 Å²	89.6	13%	0.125	50%	0.503	C	S	.	.	H	α-helix	trans	-73.4	-37.8	174	172.1	49.6	0	0	0	113.6	C343 C346 H350 T355 L356 K357 L361 T362 H363	C343-H359 WeakPolarHBondContact CB-NE2 3.46Å; C343-H359 PolarHBondContact SG-NE2 2.94Å; C346-H359 VanDerWaalsContact SG-CE1 3.57Å; C346-H359 PolarHBondContact SG-NE2 3.43Å; H350-H359 AromaticContact CD2-CD2 3.79Å; H350-H359 WeakPolarHBondContact NE2-CB 3.3Å; H350-H359 AromaticContact NE2-CG 3.54Å; T355-H359 WeakPolarHBondContact O-CB 3.28Å; T355-H359 PolarHBondContact O-N 3.28Å; T355-H359 VanDerWaalsContact O-N 3.11Å; L356-H359 CarbonylContact O-C 3.43Å; L356-H359 PolarHBondContact O-N 2.82Å; K357-H359 PolarHBondContact O-N 2.67Å; H359-L361 PolarHBondContact O-N 3.34Å; H359-T362 PolarHBondContact ND1-OG1 2.82Å; H359-T362 WeakPolarHBondContact O-CB 3.2Å; H359-T362 PolarHBondContact O-N 3.49Å; H359-T362 PolarHBondContact O-OG1 3.26Å; H359-H363 AromaticContact CE1-NE2 3.59Å; H359-H363 AromaticContact NE2-NE2 3.74Å
360	Y	63.8	Low	58.3	Low	81 Å²	81	96.4 Å²	96.4	32%	0.318	52%	0.524	S	S	.	.	H	α-helix	trans	-59	-36.1	170.7	-102	-94.5	0	0	0	111.9	C343 A344 Y345 L356 K357 T362 H363	C343-Y360 HydrophobicContact CB-CE2 4.29Å; A344-Y360 VanDerWaalsContact CB-OH 3.3Å; A344-Y360 WeakPolarHBondContact CB-OH 3.43Å; A344-Y360 PolarHBondContact N-OH 2.75Å; A344-Y360 VanDerWaalsContact N-OH 3.14Å; Y345-Y360 AromaticContact CD2-CD1 3.84Å; Y345-Y360 HydrophobicContact CD2-CD1 3.84Å; Y345-Y360 AromaticContact CD2-CE1 3.57Å; Y345-Y360 HydrophobicContact CD2-CE1 3.57Å; Y345-Y360 AromaticContact CE2-CD1 3.74Å; Y345-Y360 HydrophobicContact CE2-CD1 3.74Å; Y345-Y360 AromaticContact CE2-CE1 3.48Å; Y345-Y360 HydrophobicContact CE2-CE1 3.48Å; Y345-Y360 VanDerWaalsContact CE2-CE1 3.48Å; L356-Y360 HydrophobicContact CD1-CD2 3.69Å; L356-Y360 HydrophobicContact CD1-CE2 3.77Å; L356-Y360 HydrophobicContact CD2-CD2 4.41Å; L356-Y360 HydrophobicContact CD2-CE2 4.05Å; L356-Y360 HydrophobicContact CG-CD2 3.75Å; L356-Y360 HydrophobicContact CG-CE2 3.87Å; L356-Y360 PolarHBondContact O-N 3.39Å; K357-Y360 WeakPolarHBondContact O-CB 3.23Å; K357-Y360 PolarHBondContact O-N 2.63Å; Y360-T362 PolarHBondContact O-N 3.05Å; Y360-T362 VanDerWaalsContact O-N 3.16Å; Y360-H363 PolarHBondContact O-N 3.49Å
361	L	69.6	Low	56.1	Low	150 Å²	150	99.1 Å²	99.1	79%	0.785	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-7	172.8	-91.9	70.4	0	0	0	113.9	K357 V358 H359	K357-L361 VanDerWaalsContact O-CD1 3.28Å; K357-L361 WeakPolarHBondContact O-CD1 3.37Å; K357-L361 PolarHBondContact O-N 3.14Å; V358-L361 PolarHBondContact O-N 2.93Å; H359-L361 PolarHBondContact O-N 3.34Å
362	T	65	Low	54.4	Low	99 Å²	99	104.4 Å²	104.4	61%	0.607	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	1.4	169.2	67.2	0	0	0	0	113.8	H359 Y360	H359-T362 PolarHBondContact ND1-OG1 2.82Å; H359-T362 WeakPolarHBondContact O-CB 3.2Å; H359-T362 PolarHBondContact O-N 3.49Å; H359-T362 PolarHBondContact O-OG1 3.26Å; Y360-T362 PolarHBondContact O-N 3.05Å; Y360-T362 VanDerWaalsContact O-N 3.16Å
363	H	57.2	Low	52.2	Low	63 Å²	63	107.8 Å²	107.8	29%	0.292	59%	0.586	S	S	.	*	S	Bend	trans	-102.7	101.5	170.4	-69.2	-67.3	0	0	0	109.9	Y345 H359 Y360	Y345-H363 HydrophobicContact CD2-CB 4.11Å; H359-H363 AromaticContact CE1-NE2 3.59Å; H359-H363 AromaticContact NE2-NE2 3.74Å; Y360-H363 PolarHBondContact O-N 3.49Å
364	D	43.1	Very low	50.5	Low	151 Å²	151	109 Å²	109	81%	0.807	60%	0.602	S	S	*	*			trans	-66	130.7	-178.9	-128.4	-53	0	0	0	111.8
365	P	47.4	Very low	48.4	Very low	110 Å²	110	108.3 Å²	108.3	71%	0.714	61%	0.609	S	S	*	*			trans	-92.4	109.3	-173.4	33.9	-32.8	0	0	0	113.1
366	H	31.6	Very low	46.5	Very low	175 Å²	175	113.1 Å²	113.1	81%	0.81	63%	0.631	S	S	*	*			trans	-122.4	133.4	161.3	-91.8	-88.8	0	0	0	111.6
367	P	34	Very low	44.1	Very low	108 Å²	108	119 Å²	119	70%	0.701	66%	0.662	S	S	*	*			trans	-79.3	154.3	-179.3	33.1	-35.5	0	0	0	112	S369	P367-S369 PolarHBondContact O-N 2.82Å
368	P	32.7	Very low	42.1	Very low	127 Å²	127	121.2 Å²	121.2	83%	0.825	68%	0.678	S	S	*	*			trans	-76	115.6	177.4	30.4	-33.5	0	0	0	111.6
369	S	27.9	Very low	39.8	Very low	119 Å²	119	120.5 Å²	120.5	83%	0.832	68%	0.678	S	S	*	*			trans	-78.9	143.7	161.5	40.8	0	0	0	0	110.6	P367	P367-S369 PolarHBondContact O-N 2.82Å
370	H	33.3	Very low	37.5	Very low	182 Å²	182	125.5 Å²	125.5	84%	0.843	71%	0.706	S	S	*	*			trans	-98.1	169.8	-176.4	-122.9	-102.6	0	0	0	111.7
371	S	26.7	Very low	35.8	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	73%	0.726	S	S	*	*			trans	74.6	148.8	164.3	90	0	0	0	0	115.5
372	Q	29.9	Very low	33.9	Very low	174 Å²	174	127.7 Å²	127.7	81%	0.813	73%	0.727	S	S	*	*			cis	-129.7	144.3	-7.5	-73.5	-170.2	-14.9	0	0	108
373	D	26	Very low	32	Very low	137 Å²	137	127.8 Å²	127.8	73%	0.733	73%	0.732	S	S	*	*				70.5	161.5	80.8	-138.5	-27.9	0	0	0	114.7
374	S	29.1	Very low	30.6	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	76%	0.76	S	S	*	*			trans	62.3	112.6	-152.4	71.8	0	0	0	0	112.1
375	S	28.6	Very low	29.7	Very low	96 Å²	96	126.9 Å²	126.9	67%	0.671	76%	0.756	S	S	*	*			cis	61.5	110.1	16.1	89.8	0	0	0	0	115.4
376	I	31.3	Very low	28.8	Very low	153 Å²	153	126.7 Å²	126.7	79%	0.785	76%	0.757	S	S	*	*				-173	127.2	129	-101	166.1	0	0	0	110.1
377	L	29.9	Very low	28.7	Very low	137 Å²	137	128 Å²	128	72%	0.717	76%	0.764	S	S	*	*			trans	47.5	128.4	147.5	-56	-179.1	0	0	0	119.8
378	N	29.1	Very low	28.4	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	77%	0.769	S	S	*	*				59.8	136.4	72.1	-66	9.6	0	0	0	112.8
379	S	26.3	Very low	28.2	Very low	87 Å²	87	125.9 Å²	125.9	61%	0.608	77%	0.767	S	S	*	*			cis	-157.4	161.9	10.2	-117.3	0	0	0	0	113.7
380	D	26.2	Very low	28.2	Very low	132 Å²	132	127 Å²	127	71%	0.706	77%	0.768	S	S	*	*			trans	22.1	120.7	142.8	-50.1	-67.6	0	0	0	120.6
381	T	27.7	Very low	27.8	Very low	123 Å²	123	122.8 Å²	122.8	76%	0.755	77%	0.765	S	S	*	*				-179.3	136.4	102.4	28	0	0	0	0	110.2
382	L	29.3	Very low	28.3	Very low	153 Å²	153	123 Å²	123	80%	0.801	77%	0.766	S	S	*	*				49	130.9	88.9	-51.6	-179.7	0	0	0	114.1
383	S	25.7	Very low	28.6	Very low	102 Å²	102	121 Å²	121	71%	0.713	77%	0.768	S	S	*	*			cis	-166.8	167.4	-7.5	-119.8	0	0	0	0	112.3
384	S	26.3	Very low	28.7	Very low	124 Å²	124	120.1 Å²	120.1	87%	0.867	77%	0.773	S	S	*	*			trans	-3	128.1	161.6	-53.6	0	0	0	0	120.9
385	G	25.7	Very low	28.6	Very low	70 Å²	70	119 Å²	119	72%	0.722	78%	0.779	S	S	*	*			trans	162.2	70.1	164.4	0	0	0	0	0	113.9
386	S	28.4	Very low	28.7	Very low	107 Å²	107	118 Å²	118	75%	0.748	78%	0.783	S	S	*	*				89.4	134.4	72.7	73.1	0	0	0	0	114.7
387	Q	29.9	Very low	28.5	Very low	203 Å²	203	122.3 Å²	122.3	95%	0.949	79%	0.789	S	S	*	*			trans	71.4	168.7	177.3	-45.9	-162.8	25	0	0	115.8
388	G	26.8	Very low	28.7	Very low	78 Å²	78	122 Å²	122	80%	0.804	79%	0.793	S	S	*	*			trans	120.7	78.6	179.1	0	0	0	0	0	113.9
389	S	28.1	Very low	29.5	Very low	112 Å²	112	120.4 Å²	120.4	78%	0.783	79%	0.79	S	S	*	*			trans	-74.6	-179	-179.7	-54.2	0	0	0	0	114.4
390	V	27.5	Very low	29.6	Very low	142 Å²	142	125.6 Å²	125.6	86%	0.861	81%	0.805	S	S	*	*			trans	81.3	135.9	156.7	-57.1	0	0	0	0	122
391	A	25.8	Very low	29.8	Very low	94 Å²	94	123 Å²	123	78%	0.777	80%	0.802	S	S	*	*			trans	67.7	107.5	145.9	0	0	0	0	0	121
392	S	37.2	Very low	29.8	Very low	111 Å²	111	125 Å²	125	78%	0.776	81%	0.808	S	S	*	*			trans	-59.8	161.3	140.2	-44.5	0	0	0	0	110.6
393	P	36.9	Very low	29.8	Very low	132 Å²	132	122.4 Å²	122.4	86%	0.857	80%	0.802	S	S	*	*				-137.5	172	106.4	38.1	-28	0	0	0	115
394	S	27.3	Very low	30.7	Very low	119 Å²	119	124 Å²	124	83%	0.832	81%	0.81	S	S	*	*			trans	-93.4	140.2	-164.5	-54	0	0	0	0	115
395	G	26	Very low	31.5	Very low	84 Å²	84	125 Å²	125	87%	0.866	81%	0.805	S	S	*	*			trans	77.7	146.3	147.7	0	0	0	0	0	118.7
396	G	30.9	Very low	32.2	Very low	73 Å²	73	126.9 Å²	126.9	75%	0.753	80%	0.799	S	S	*	*			cis	156.5	140.9	-10.7	0	0	0	0	0	113.7
397	R	27	Very low	33.1	Very low	245 Å²	245	128.8 Å²	128.8	93%	0.925	80%	0.796	S	S	*	*			trans	-164	92.8	165.8	-104.5	171	-155.4	-149.2	4.9	112.4
398	V	34.7	Very low	34.3	Very low	130 Å²	130	125 Å²	125	79%	0.788	78%	0.779	S	S	*	*				25.1	136	113.6	-173.9	0	0	0	0	117.1
399	P	46.9	Very low	35.8	Very low	107 Å²	107	127.4 Å²	127.4	70%	0.695	76%	0.763	S	S	*	*			cis	-148.7	134.4	-32.9	38.6	-18.1	0	0	0	115.9
400	Q	28.5	Very low	37.8	Very low	197 Å²	197	130.6 Å²	130.6	92%	0.921	76%	0.758	S	S	*	*			trans	-163.7	140.7	155.4	-119.5	160.8	13	0	0	118.5
401	A	29.4	Very low	39.8	Very low	78 Å²	78	127.5 Å²	127.5	65%	0.645	73%	0.733	S	S	*	*			trans	51.8	130.8	142.7	0	0	0	0	0	123.8
402	N	28.6	Very low	42.2	Very low	165 Å²	165	128.2 Å²	128.2	88%	0.882	72%	0.719	S	S	*	*			trans	69.9	95.8	143	-59.2	-4.4	0	0	0	120.2
403	S	28.5	Very low	44.2	Very low	98 Å²	98	123 Å²	123	69%	0.685	68%	0.682	S	S	*	*			trans	-101.2	139.3	151.9	-177.9	0	0	0	0	109.6	D405	S403-D405 PolarHBondContact O-N 2.8Å
404	P	45.2	Very low	45.5	Very low	136 Å²	136	120.3 Å²	120.3	88%	0.883	68%	0.679	S	S	*	*	S	Bend	trans	-81.4	76.2	179.9	33.6	-35.3	0	0	0	112.2
405	D	42.6	Very low	47.2	Very low	143 Å²	143	120.5 Å²	120.5	77%	0.765	67%	0.667	S	S	*	*			trans	-146.6	33.9	-179.6	-150.1	-22	0	0	0	112.5	S403	S403-D405 PolarHBondContact O-N 2.8Å
406	D	41.2	Very low	49.2	Very low	110 Å²	110	118.8 Å²	118.8	59%	0.588	64%	0.641	S	S	*	*			trans	-107.3	-8.7	-168.4	-151.2	-88.8	0	0	0	114.9	E408 K412	D406-E408 PolarHBondContact O-N 3.25Å; D406-K412 IonicContact OD1-NZ 3.79Å; D406-K412 PolarHBondContact OD1-NZ 3.11Å; D406-K412 IonicContact OD2-NZ 3.41Å
407	E	46.6	Very low	50.9	Low	147 Å²	147	118.2 Å²	118.2	69%	0.687	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-25.9	-174.6	-90.5	-130.4	65.8	0	0	115.3	R409 R410	E407-R409 PolarHBondContact O-N 3.41Å; E407-R410 PolarHBondContact O-NE 3.49Å; E407-R410 IonicContact OE1-CZ 3.77Å; E407-R410 IonicContact OE1-NH2 2.6Å; E407-R410 PolarHBondContact OE1-NH2 3.27Å
408	E	55.3	Low	53.1	Low	124 Å²	124	112.2 Å²	112.2	58%	0.579	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	3.4	-170.5	-114	-124.3	114	0	0	115.2	D406 R421	D406-E408 PolarHBondContact O-N 3.25Å; E408-R421 IonicContact OE1-CZ 3.97Å; E408-R421 VanDerWaalsContact OE1-CZ 3.28Å; E408-R421 IonicContact OE1-NE 2.94Å; E408-R421 PolarHBondContact OE1-NE 3.28Å; E408-R421 IonicContact OE1-NH2 3.97Å; E408-R421 PolarHBondContact OE1-NH2 3.26Å; E408-R421 IonicContact OE2-CZ 2.69Å; E408-R421 IonicContact OE2-NE 2.92Å; E408-R421 IonicContact OE2-NH1 2.6Å; E408-R421 IonicContact OE2-NH2 2.72Å; E408-R421 PolarHBondContact OE2-NH2 3.25Å
409	R	57.8	Low	55.2	Low	128 Å²	128	108 Å²	108	48%	0.483	59%	0.592	S	S	.	*			trans	-133.8	64.7	179.5	-64.5	-168.2	-175.4	-147.8	10	114	E407 F411 S419 R421	E407-R409 PolarHBondContact O-N 3.41Å; R409-F411 PolarHBondContact O-N 2.79Å; R409-F411 VanDerWaalsContact O-N 3.09Å; R409-S419 VanDerWaalsContact CD-OG 3.28Å; R409-S419 WeakPolarHBondContact CD-OG 3.49Å; R409-S419 PolarHBondContact NH1-O 3.07Å; R409-R421 HydrophobicContact CG-CG 4.15Å
410	R	69.9	Low	56.8	Low	180 Å²	180	105.5 Å²	105.5	68%	0.679	57%	0.569	S	S	*	*			trans	-61.7	-15.5	-176.4	-62.4	175.9	-179.8	164.3	-4	115.1	E407	E407-R410 PolarHBondContact O-NE 3.49Å; E407-R410 IonicContact OE1-CZ 3.77Å; E407-R410 IonicContact OE1-NH2 2.6Å; E407-R410 PolarHBondContact OE1-NH2 3.27Å
411	F	70.7	Confident	58.9	Low	76 Å²	76	102.4 Å²	102.4	33%	0.333	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	91.5	-175.3	-57.3	-77	0	0	0	112.7	R409 Y420 H422 A423 L426	R409-F411 PolarHBondContact O-N 2.79Å; R409-F411 VanDerWaalsContact O-N 3.09Å; F411-Y420 WeakPolarHBondContact CB-O 3.47Å; F411-Y420 PolarHBondContact N-O 3.22Å; F411-Y420 PolarHBondContact O-N 2.74Å; F411-H422 VanDerWaalsContact CD2-C 3.41Å; F411-A423 HydrophobicContact CD1-CB 3.81Å; F411-A423 HydrophobicContact CE1-CB 3.61Å; F411-A423 HydrophobicContact CG-CB 4.36Å; F411-A423 HydrophobicContact CZ-CB 3.99Å; F411-L426 HydrophobicContact CB-CB 4.01Å; F411-L426 HydrophobicContact CB-CD2 3.9Å
412	K	76.3	Confident	61.3	Low	110 Å²	110	104.5 Å²	104.5	48%	0.478	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	142.8	-174.9	-45.9	-171.1	-175.5	-166	0	111.8	D406 L426	D406-K412 IonicContact OD1-NZ 3.79Å; D406-K412 PolarHBondContact OD1-NZ 3.11Å; D406-K412 IonicContact OD2-NZ 3.41Å; K412-L426 WeakPolarHBondContact O-CD2 3.39Å
413	C	78.2	Confident	63.2	Low	1 Å²	1	98.8 Å²	98.8	1%	0.007	52%	0.521	C	S	.	.			trans	-97.5	108.8	179	-167.2	0	0	0	0	112.4	E415 C416 G417 K418 Y420 L426 H429 H433	C413-E415 VanDerWaalsContact C-N 3.29Å; C413-E415 PolarHBondContact O-N 3.36Å; C413-C416 PolarHBondContact O-N 3.34Å; C413-G417 WeakPolarHBondContact O-CA 3.48Å; C413-G417 PolarHBondContact O-N 2.99Å; C413-K418 WeakPolarHBondContact CB-O 3.38Å; C413-K418 PolarHBondContact N-O 3.09Å; C413-Y420 HydrophobicContact CB-CE2 4.39Å; C413-L426 HydrophobicContact CB-CD1 3.54Å; C413-H429 PolarHBondContact SG-CD2 3.1Å; C413-H433 VanDerWaalsContact SG-CD2 3.55Å; C413-H433 PolarHBondContact SG-NE2 3.07Å; C413-H433 VanDerWaalsContact SG-NE2 3.39Å
414	G	64.9	Low	65.2	Low	76 Å²	76	96.7 Å²	96.7	78%	0.784	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-38	-175.9	0	0	0	0	0	115	C416	G414-C416 PolarHBondContact O-N 2.77Å
415	E	61.7	Low	66.7	Low	123 Å²	123	92.7 Å²	92.7	58%	0.575	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.2	-175.1	-67.7	143.2	-113.1	0	0	115.1	C413 H433	C413-E415 VanDerWaalsContact C-N 3.29Å; C413-E415 PolarHBondContact O-N 3.36Å; E415-H433 WeakPolarHBondContact OE2-CB 3.47Å; E415-H433 IonicContact OE2-CD2 2.9Å; E415-H433 IonicContact OE2-CG 3.51Å
416	C	67.8	Low	68.4	Low	48 Å²	48	87 Å²	87	32%	0.324	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.5	15.6	177.6	77.3	0	0	0	0	115.8	C413 G414 K418 H429 H433	C413-C416 PolarHBondContact O-N 3.34Å; G414-C416 PolarHBondContact O-N 2.77Å; C416-K418 PolarHBondContact O-N 2.87Å; C416-K418 VanDerWaalsContact SG-CD 3.57Å; C416-H429 PolarHBondContact SG-NE2 2.82Å; C416-H433 PolarHBondContact SG-CE1 3.22Å; C416-H433 PolarHBondContact SG-NE2 2.48Å
417	G	67.8	Low	69.9	Low	61 Å²	61	85.9 Å²	85.9	63%	0.629	46%	0.456	S	S	*	.			trans	69.8	-12.8	177.1	0	0	0	0	0	117	C413 S419	C413-G417 WeakPolarHBondContact O-CA 3.48Å; C413-G417 PolarHBondContact O-N 2.99Å; G417-S419 PolarHBondContact O-N 3.46Å
418	K	73.3	Confident	70.8	Confident	118 Å²	118	83.6 Å²	83.6	51%	0.513	45%	0.449	S	S	.	.			trans	-62.5	130.5	-173.3	-67.7	172.6	-168.1	163.5	0	112	C413 C416 Y420	C413-K418 WeakPolarHBondContact CB-O 3.38Å; C413-K418 PolarHBondContact N-O 3.09Å; C416-K418 PolarHBondContact O-N 2.87Å; C416-K418 VanDerWaalsContact SG-CD 3.57Å; K418-Y420 HydrophobicContact CB-CE2 3.7Å; K418-Y420 WeakPolarHBondContact CB-OH 3.44Å; K418-Y420 WeakPolarHBondContact O-CD2 3.04Å; K418-Y420 VanDerWaalsContact O-CE2 3.27Å; K418-Y420 WeakPolarHBondContact O-CE2 3.41Å
419	S	77.9	Confident	71.8	Confident	43 Å²	43	78.7 Å²	78.7	30%	0.301	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.4	-174.6	62.7	0	0	0	0	112.9	R409 G417	R409-S419 VanDerWaalsContact CD-OG 3.28Å; R409-S419 WeakPolarHBondContact CD-OG 3.49Å; R409-S419 PolarHBondContact NH1-O 3.07Å; G417-S419 PolarHBondContact O-N 3.46Å
420	Y	79.9	Confident	72.2	Confident	54 Å²	54	77.1 Å²	77.1	21%	0.212	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.7	-171.5	-60.8	-88.3	0	0	0	111	F411 C413 K418 L426 H429	F411-Y420 WeakPolarHBondContact CB-O 3.47Å; F411-Y420 PolarHBondContact N-O 3.22Å; F411-Y420 PolarHBondContact O-N 2.74Å; C413-Y420 HydrophobicContact CB-CE2 4.39Å; K418-Y420 HydrophobicContact CB-CE2 3.7Å; K418-Y420 WeakPolarHBondContact CB-OH 3.44Å; K418-Y420 WeakPolarHBondContact O-CD2 3.04Å; K418-Y420 VanDerWaalsContact O-CE2 3.27Å; K418-Y420 WeakPolarHBondContact O-CE2 3.41Å; Y420-L426 HydrophobicContact CD2-CB 4.35Å; Y420-L426 HydrophobicContact CD2-CD1 4.26Å; Y420-H429 HydrophobicContact CE1-CB 4.36Å; Y420-H429 HydrophobicContact CE2-CB 4.11Å; Y420-H429 AromaticContact CE2-CD2 3.26Å; Y420-H429 WeakPolarHBondContact CE2-CD2 3.44Å; Y420-H429 AromaticContact CE2-CG 3.78Å; Y420-H429 AromaticContact CZ-CD2 3.46Å; Y420-H429 VanDerWaalsContact CZ-CD2 3.46Å; Y420-H429 AromaticContact CZ-CG 3.54Å; Y420-H429 PolarHBondContact OH-CD2 3.06Å; Y420-H429 PolarHBondContact OH-CE1 2.99Å; Y420-H429 PolarHBondContact OH-ND1 3.17Å; Y420-H429 PolarHBondContact OH-NE2 3.03Å
421	R	74.5	Confident	72	Confident	131 Å²	131	76 Å²	76	49%	0.494	42%	0.418	S	S	.	.	S	Bend	trans	-77.7	-18	178.2	-65.8	175.2	95.7	152.4	-5.4	113.4	E408 R409	E408-R421 IonicContact OE1-CZ 3.97Å; E408-R421 VanDerWaalsContact OE1-CZ 3.28Å; E408-R421 IonicContact OE1-NE 2.94Å; E408-R421 PolarHBondContact OE1-NE 3.28Å; E408-R421 IonicContact OE1-NH2 3.97Å; E408-R421 PolarHBondContact OE1-NH2 3.26Å; E408-R421 IonicContact OE2-CZ 2.69Å; E408-R421 IonicContact OE2-NE 2.92Å; E408-R421 IonicContact OE2-NH1 2.6Å; E408-R421 IonicContact OE2-NH2 2.72Å; E408-R421 PolarHBondContact OE2-NH2 3.25Å; R409-R421 HydrophobicContact CG-CG 4.15Å
422	H	78.5	Confident	71.6	Confident	122 Å²	122	75.4 Å²	75.4	57%	0.565	42%	0.423	S	S	*	.	S	Bend	trans	-138.8	144.4	-175.6	-46.9	-63.4	0	0	0	113	F411 G424 S425 L426	F411-H422 VanDerWaalsContact CD2-C 3.41Å; H422-G424 PolarHBondContact O-N 3.42Å; H422-S425 WeakPolarHBondContact O-CB 3.45Å; H422-S425 PolarHBondContact O-N 2.83Å; H422-S425 VanDerWaalsContact O-N 3.15Å; H422-L426 PolarHBondContact O-N 2.92Å
423	A	68.4	Low	70.9	Confident	46 Å²	46	72.5 Å²	72.5	38%	0.38	41%	0.411	S	S	.	.	H	α-helix	trans	-56	-44.9	179.4	0	0	0	0	0	113.2	F411 S425 L426 V427	F411-A423 HydrophobicContact CD1-CB 3.81Å; F411-A423 HydrophobicContact CE1-CB 3.61Å; F411-A423 HydrophobicContact CG-CB 4.36Å; F411-A423 HydrophobicContact CZ-CB 3.99Å; A423-S425 VanDerWaalsContact C-N 3.26Å; A423-S425 PolarHBondContact O-N 2.91Å; A423-L426 WeakPolarHBondContact O-CB 3.38Å; A423-L426 PolarHBondContact O-N 3.32Å; A423-L426 VanDerWaalsContact O-N 3.09Å; A423-V427 WeakPolarHBondContact O-CG2 3.36Å; A423-V427 PolarHBondContact O-N 3.41Å
424	G	70.1	Confident	70	Confident	53 Å²	53	77.9 Å²	77.9	55%	0.546	44%	0.436	S	S	.	.	H	α-helix	trans	-61.4	-32.6	179.3	0	0	0	0	0	113.6	H422 N428	H422-G424 PolarHBondContact O-N 3.42Å; G424-N428 WeakPolarHBondContact O-CB 3.3Å; G424-N428 PolarHBondContact O-N 3.44Å
425	S	77.2	Confident	69.5	Low	53 Å²	53	79 Å²	79	37%	0.371	43%	0.428	S	S	.	.	H	α-helix	trans	-68.3	-41	174	-51.3	0	0	0	0	111.6	H422 A423 H429	H422-S425 WeakPolarHBondContact O-CB 3.45Å; H422-S425 PolarHBondContact O-N 2.83Å; H422-S425 VanDerWaalsContact O-N 3.15Å; A423-S425 VanDerWaalsContact C-N 3.26Å; A423-S425 PolarHBondContact O-N 2.91Å; S425-H429 VanDerWaalsContact O-CB 3.26Å; S425-H429 WeakPolarHBondContact O-CB 3.45Å; S425-H429 PolarHBondContact O-N 3.4Å
426	L	77.5	Confident	69.3	Low	22 Å²	22	74.2 Å²	74.2	12%	0.115	41%	0.412	C	S	.	.	H	α-helix	trans	-64.3	-44.5	173.6	172.2	61.9	0	0	0	111.7	F411 K412 C413 Y420 H422 A423 H429 K430	F411-L426 HydrophobicContact CB-CB 4.01Å; F411-L426 HydrophobicContact CB-CD2 3.9Å; K412-L426 WeakPolarHBondContact O-CD2 3.39Å; C413-L426 HydrophobicContact CB-CD1 3.54Å; Y420-L426 HydrophobicContact CD2-CB 4.35Å; Y420-L426 HydrophobicContact CD2-CD1 4.26Å; H422-L426 PolarHBondContact O-N 2.92Å; A423-L426 WeakPolarHBondContact O-CB 3.38Å; A423-L426 PolarHBondContact O-N 3.32Å; A423-L426 VanDerWaalsContact O-N 3.09Å; L426-H429 CarbonylContact O-C 3.59Å; L426-H429 PolarHBondContact O-N 3.3Å; L426-K430 HydrophobicContact CD1-CG 4.18Å; L426-K430 PolarHBondContact O-N 2.79Å
427	V	74.1	Confident	68.7	Low	87 Å²	87	79.7 Å²	79.7	53%	0.527	43%	0.432	S	S	.	.	H	α-helix	trans	-62.2	-45.5	178.1	171.5	0	0	0	0	111.4	A423 H429 K430 R431	A423-V427 WeakPolarHBondContact O-CG2 3.36Å; A423-V427 PolarHBondContact O-N 3.41Å; V427-H429 VanDerWaalsContact C-N 3.26Å; V427-H429 PolarHBondContact O-N 2.81Å; V427-K430 PolarHBondContact O-N 3.14Å; V427-R431 PolarHBondContact O-N 2.99Å
428	N	65.9	Low	68.2	Low	100 Å²	100	79.9 Å²	79.9	54%	0.535	41%	0.414	S	S	.	.	H	α-helix	trans	-66.1	-30.1	176.2	-167.5	49.3	0	0	0	112.3	G424	G424-N428 WeakPolarHBondContact O-CB 3.3Å; G424-N428 PolarHBondContact O-N 3.44Å
429	H	74.8	Confident	67.8	Low	21 Å²	21	79 Å²	79	10%	0.097	41%	0.412	C	S	.	.	H	α-helix	trans	-75.6	-38.3	175	174.7	50.7	0	0	0	113.6	C413 C416 Y420 S425 L426 V427 R431 C432 H433	C413-H429 PolarHBondContact SG-CD2 3.1Å; C416-H429 PolarHBondContact SG-NE2 2.82Å; Y420-H429 HydrophobicContact CE1-CB 4.36Å; Y420-H429 HydrophobicContact CE2-CB 4.11Å; Y420-H429 AromaticContact CE2-CD2 3.26Å; Y420-H429 WeakPolarHBondContact CE2-CD2 3.44Å; Y420-H429 AromaticContact CE2-CG 3.78Å; Y420-H429 AromaticContact CZ-CD2 3.46Å; Y420-H429 VanDerWaalsContact CZ-CD2 3.46Å; Y420-H429 AromaticContact CZ-CG 3.54Å; Y420-H429 PolarHBondContact OH-CD2 3.06Å; Y420-H429 PolarHBondContact OH-CE1 2.99Å; Y420-H429 PolarHBondContact OH-ND1 3.17Å; Y420-H429 PolarHBondContact OH-NE2 3.03Å; S425-H429 VanDerWaalsContact O-CB 3.26Å; S425-H429 WeakPolarHBondContact O-CB 3.45Å; S425-H429 PolarHBondContact O-N 3.4Å; L426-H429 CarbonylContact O-C 3.59Å; L426-H429 PolarHBondContact O-N 3.3Å; V427-H429 VanDerWaalsContact C-N 3.26Å; V427-H429 PolarHBondContact O-N 2.81Å; H429-R431 PolarHBondContact O-N 2.63Å; H429-C432 WeakPolarHBondContact O-CA 3.38Å; H429-C432 WeakPolarHBondContact O-CB 3.41Å; H429-C432 PolarHBondContact O-N 3.03Å; H429-H433 AromaticContact CD2-NE2 3.77Å; H429-H433 AromaticContact CE1-CE1 3.42Å; H429-H433 PolarHBondContact CE1-CE1 3.33Å; H429-H433 VanDerWaalsContact CE1-CE1 3.42Å; H429-H433 AromaticContact CE1-NE2 3.2Å; H429-H433 PolarHBondContact CE1-NE2 3.05Å; H429-H433 AromaticContact NE2-CE1 3.6Å; H429-H433 AromaticContact NE2-NE2 2.97Å; H429-H433 PolarHBondContact NE2-NE2 2.97Å
430	K	67.2	Low	67.7	Low	95 Å²	95	77 Å²	77	41%	0.413	40%	0.398	S	S	.	.	H	α-helix	trans	-58.1	-34.7	172.4	-76.7	-169.9	171.8	-162.1	0	111.6	L426 V427 C432 H433 Q434	L426-K430 HydrophobicContact CD1-CG 4.18Å; L426-K430 PolarHBondContact O-N 2.79Å; V427-K430 PolarHBondContact O-N 3.14Å; K430-C432 PolarHBondContact O-N 3.39Å; K430-C432 VanDerWaalsContact O-N 3.08Å; K430-H433 PolarHBondContact O-N 3.27Å; K430-Q434 PolarHBondContact O-N 3.17Å
431	R	66.2	Low	67.1	Low	156 Å²	156	80 Å²	80	59%	0.589	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.5	171.5	-157.8	-178.5	-72.8	154.4	-8.2	114.2	V427 H429	V427-R431 PolarHBondContact O-N 2.99Å; H429-R431 PolarHBondContact O-N 2.63Å
432	C	61.5	Low	66.9	Low	63 Å²	63	78.7 Å²	78.7	43%	0.426	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-20.5	169.2	-57.3	0	0	0	0	113.7	H429 K430	H429-C432 WeakPolarHBondContact O-CA 3.38Å; H429-C432 WeakPolarHBondContact O-CB 3.41Å; H429-C432 PolarHBondContact O-N 3.03Å; K430-C432 PolarHBondContact O-N 3.39Å; K430-C432 VanDerWaalsContact O-N 3.08Å
433	H	60.6	Low	67	Low	49 Å²	49	74.7 Å²	74.7	23%	0.227	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.8	175.3	-57.1	-46.8	0	0	0	113.2	C413 E415 C416 H429 K430 T435	C413-H433 VanDerWaalsContact SG-CD2 3.55Å; C413-H433 PolarHBondContact SG-NE2 3.07Å; C413-H433 VanDerWaalsContact SG-NE2 3.39Å; E415-H433 WeakPolarHBondContact OE2-CB 3.47Å; E415-H433 IonicContact OE2-CD2 2.9Å; E415-H433 IonicContact OE2-CG 3.51Å; C416-H433 PolarHBondContact SG-CE1 3.22Å; C416-H433 PolarHBondContact SG-NE2 2.48Å; H429-H433 AromaticContact CD2-NE2 3.77Å; H429-H433 AromaticContact CE1-CE1 3.42Å; H429-H433 PolarHBondContact CE1-CE1 3.33Å; H429-H433 VanDerWaalsContact CE1-CE1 3.42Å; H429-H433 AromaticContact CE1-NE2 3.2Å; H429-H433 PolarHBondContact CE1-NE2 3.05Å; H429-H433 AromaticContact NE2-CE1 3.6Å; H429-H433 AromaticContact NE2-NE2 2.97Å; H429-H433 PolarHBondContact NE2-NE2 2.97Å; K430-H433 PolarHBondContact O-N 3.27Å; H433-T435 PolarHBondContact O-N 3.01Å
434	Q	59.8	Low	67	Low	114 Å²	114	76.6 Å²	76.6	53%	0.533	42%	0.419	S	S	.	.			trans	-67.7	73.8	158.9	-71.6	-177.7	-42.7	0	0	109.4	K430 Y438	K430-Q434 PolarHBondContact O-N 3.17Å; Q434-Y438 WeakPolarHBondContact O-CE2 3.17Å
435	T	55.1	Low	66.8	Low	100 Å²	100	80 Å²	80	61%	0.613	42%	0.418	S	S	*	.			trans	-95.2	90.5	176.3	53.8	0	0	0	0	110	H433 P448	H433-T435 PolarHBondContact O-N 3.01Å; T435-P448 WeakPolarHBondContact CA-O 3.49Å; T435-P448 WeakPolarHBondContact CB-O 3.48Å; T435-P448 WeakPolarHBondContact CG2-O 3.5Å
436	G	58.3	Low	66.2	Low	23 Å²	23	83 Å²	83	24%	0.237	43%	0.427	C	S	.	.			trans	-105.5	166	167.4	0	0	0	0	0	111.3	Y438 P448	G436-Y438 WeakPolarHBondContact O-CD2 3.32Å; G436-Y438 PolarHBondContact O-N 3.32Å; G436-P448 CarbonylContact O-C 3.22Å
437	H	55.1	Low	66	Low	162 Å²	162	84.3 Å²	84.3	75%	0.75	43%	0.431	S	S	*	.			trans	-78.7	71.3	174.7	-66.1	97.6	0	0	0	110.7	Q439	H437-Q439 PolarHBondContact O-N 3.33Å
438	Y	56.8	Low	65.4	Low	66 Å²	66	84.2 Å²	84.2	26%	0.259	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	96.3	-173.8	-60.5	-71.3	0	0	0	111.5	Q434 G436 Y447 L450	Q434-Y438 WeakPolarHBondContact O-CE2 3.17Å; G436-Y438 WeakPolarHBondContact O-CD2 3.32Å; G436-Y438 PolarHBondContact O-N 3.32Å; Y438-Y447 WeakPolarHBondContact CB-O 3.45Å; Y438-Y447 PolarHBondContact N-O 2.93Å; Y438-Y447 PolarHBondContact O-N 3.17Å; Y438-L450 HydrophobicContact CD1-CD2 3.45Å; Y438-L450 VanDerWaalsContact CD1-CD2 3.45Å; Y438-L450 HydrophobicContact CD1-CG 3.84Å; Y438-L450 HydrophobicContact CD2-CD2 4.28Å; Y438-L450 HydrophobicContact CD2-CG 3.98Å; Y438-L450 HydrophobicContact CE1-CD1 4.1Å; Y438-L450 HydrophobicContact CE1-CD2 3.72Å; Y438-L450 HydrophobicContact CE1-CG 3.68Å; Y438-L450 HydrophobicContact CE2-CD2 4.46Å; Y438-L450 HydrophobicContact CE2-CG 3.79Å; Y438-L450 HydrophobicContact CG-CD2 3.76Å; Y438-L450 HydrophobicContact CG-CG 3.99Å
439	Q	64.9	Low	65.7	Low	99 Å²	99	82.5 Å²	82.5	46%	0.463	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.4	179.9	-159.2	169.7	19.5	0	0	112.1	H437 T441 C444 Q446	H437-Q439 PolarHBondContact O-N 3.33Å; Q439-T441 PolarHBondContact O-N 3.3Å; Q439-C444 WeakPolarHBondContact CG-O 3.37Å; Q439-C444 PolarHBondContact NE2-O 2.87Å; Q439-Q446 HydrophobicContact CB-CG 4.1Å; Q439-Q446 HydrophobicContact CG-CG 3.91Å
440	C	75.9	Confident	65.4	Low	1 Å²	1	84.8 Å²	84.8	1%	0.007	43%	0.433	C	S	.	.			trans	-77.3	107.5	173.5	-179.3	0	0	0	0	110.3	I442 C443 C444 K445 Y447 L453 H456 H460	C440-I442 PolarHBondContact O-N 2.94Å; C440-I442 VanDerWaalsContact O-N 3.07Å; C440-C443 PolarHBondContact O-N 3.12Å; C440-C443 VanDerWaalsContact SG-SG 3.64Å; C440-C444 VanDerWaalsContact O-CA 3.3Å; C440-C444 WeakPolarHBondContact O-CA 3.35Å; C440-C444 PolarHBondContact O-N 2.85Å; C440-K445 WeakPolarHBondContact CB-O 3.43Å; C440-K445 PolarHBondContact N-O 2.98Å; C440-Y447 HydrophobicContact CB-CD2 4.49Å; C440-Y447 HydrophobicContact CB-CE2 4.08Å; C440-L453 HydrophobicContact CB-CD1 3.52Å; C440-H456 PolarHBondContact SG-CD2 2.75Å; C440-H456 PolarHBondContact SG-NE2 3.02Å; C440-H460 PolarHBondContact SG-NE2 3.24Å
441	T	65.8	Low	65.4	Low	118 Å²	118	83.1 Å²	83.1	72%	0.724	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.1	179.2	51	0	0	0	0	114.1	Q439	Q439-T441 PolarHBondContact O-N 3.3Å
442	I	71.9	Confident	65.6	Low	102 Å²	102	77 Å²	77	52%	0.523	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.9	-179.1	-47.7	178.3	0	0	0	112.7	C440 L457 H460	C440-I442 PolarHBondContact O-N 2.94Å; C440-I442 VanDerWaalsContact O-N 3.07Å; I442-L457 HydrophobicContact CD1-CD2 3.74Å; I442-L457 HydrophobicContact CG1-CD2 4.23Å; I442-H460 HydrophobicContact CD1-CB 4.15Å
443	C	80.4	Confident	66.2	Low	38 Å²	38	74.8 Å²	74.8	26%	0.257	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.8	11.7	-177.1	73	0	0	0	0	115.7	C440 K445 H456 H460	C440-C443 PolarHBondContact O-N 3.12Å; C440-C443 VanDerWaalsContact SG-SG 3.64Å; C443-K445 PolarHBondContact O-N 3.29Å; C443-H456 PolarHBondContact SG-NE2 3.36Å; C443-H460 WeakPolarHBondContact CB-CE1 2.79Å; C443-H460 PolarHBondContact SG-NE2 3.01Å
444	C	67.8	Low	66.5	Low	87 Å²	87	77.2 Å²	77.2	59%	0.588	42%	0.415	S	S	*	.			trans	54.2	14.9	-178.5	-58.1	0	0	0	0	116.6	Q439 C440	Q439-C444 WeakPolarHBondContact CG-O 3.37Å; Q439-C444 PolarHBondContact NE2-O 2.87Å; C440-C444 VanDerWaalsContact O-CA 3.3Å; C440-C444 WeakPolarHBondContact O-CA 3.35Å; C440-C444 PolarHBondContact O-N 2.85Å
445	K	66.5	Low	67	Low	123 Å²	123	75 Å²	75	54%	0.535	41%	0.411	S	S	.	.			trans	-80	126.7	177.1	-66	-174.7	-178.2	-168.8	0	111.6	C440 C443 Y447	C440-K445 WeakPolarHBondContact CB-O 3.43Å; C440-K445 PolarHBondContact N-O 2.98Å; C443-K445 PolarHBondContact O-N 3.29Å; K445-Y447 HydrophobicContact CB-CE2 3.71Å; K445-Y447 VanDerWaalsContact O-CD2 3.3Å; K445-Y447 WeakPolarHBondContact O-CD2 3.19Å; K445-Y447 VanDerWaalsContact O-CE2 3.24Å; K445-Y447 WeakPolarHBondContact O-CE2 3.39Å
446	Q	63.7	Low	68.1	Low	117 Å²	117	71.6 Å²	71.6	55%	0.547	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.5	176	-64.9	-178.9	1.6	0	0	111.7	Q439	Q439-Q446 HydrophobicContact CB-CG 4.1Å; Q439-Q446 HydrophobicContact CG-CG 3.91Å
447	Y	73.5	Confident	68.7	Low	50 Å²	50	72.9 Å²	72.9	20%	0.196	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.5	176	-64.9	-81.7	0	0	0	110	Y438 C440 K445 H449 A452 L453 H456	Y438-Y447 WeakPolarHBondContact CB-O 3.45Å; Y438-Y447 PolarHBondContact N-O 2.93Å; Y438-Y447 PolarHBondContact O-N 3.17Å; C440-Y447 HydrophobicContact CB-CD2 4.49Å; C440-Y447 HydrophobicContact CB-CE2 4.08Å; K445-Y447 HydrophobicContact CB-CE2 3.71Å; K445-Y447 VanDerWaalsContact O-CD2 3.3Å; K445-Y447 WeakPolarHBondContact O-CD2 3.19Å; K445-Y447 VanDerWaalsContact O-CE2 3.24Å; K445-Y447 WeakPolarHBondContact O-CE2 3.39Å; Y447-H449 PolarHBondContact O-N 3.38Å; Y447-H449 VanDerWaalsContact O-N 3.11Å; Y447-A452 HydrophobicContact CD1-CB 4.14Å; Y447-A452 HydrophobicContact CG-CB 4.43Å; Y447-L453 HydrophobicContact CD2-CB 4.34Å; Y447-L453 HydrophobicContact CD2-CD1 3.95Å; Y447-L453 HydrophobicContact CE2-CD1 4.44Å; Y447-L453 HydrophobicContact CG-CB 4.5Å; Y447-H456 HydrophobicContact CD2-CB 4.47Å; Y447-H456 HydrophobicContact CE1-CB 4.11Å; Y447-H456 HydrophobicContact CE2-CB 3.87Å; Y447-H456 AromaticContact CE2-CD2 3.37Å; Y447-H456 WeakPolarHBondContact CE2-CD2 3.41Å; Y447-H456 AromaticContact CE2-CG 3.61Å; Y447-H456 AromaticContact CZ-CD2 3.64Å; Y447-H456 AromaticContact CZ-CG 3.43Å; Y447-H456 VanDerWaalsContact CZ-CG 3.43Å; Y447-H456 AromaticContact CZ-ND1 3.98Å; Y447-H456 PolarHBondContact OH-CD2 3.29Å; Y447-H456 PolarHBondContact OH-ND1 3.3Å
448	P	62.1	Low	69.5	Low	85 Å²	85	72.8 Å²	72.8	55%	0.552	38%	0.383	S	S	*	.	S	Bend	trans	-75.2	-0.3	-170.5	29.8	-36.6	0	0	0	114.9	T435 G436	T435-P448 WeakPolarHBondContact CA-O 3.49Å; T435-P448 WeakPolarHBondContact CB-O 3.48Å; T435-P448 WeakPolarHBondContact CG2-O 3.5Å; G436-P448 CarbonylContact O-C 3.22Å
449	H	71.9	Confident	69.9	Low	64 Å²	64	73.1 Å²	73.1	30%	0.296	40%	0.395	S	S	.	.	S	Bend	trans	-162.2	154.1	173.2	63.7	-78.8	0	0	0	111.3	Y447 A451 A452 L453	Y447-H449 PolarHBondContact O-N 3.38Å; Y447-H449 VanDerWaalsContact O-N 3.11Å; H449-A451 VanDerWaalsContact C-N 3.29Å; H449-A451 PolarHBondContact O-N 3.49Å; H449-A452 PolarHBondContact NE2-N 3.27Å; H449-A452 PolarHBondContact O-N 3.43Å; H449-A452 VanDerWaalsContact O-N 3.17Å; H449-L453 PolarHBondContact O-N 2.97Å
450	L	68.1	Low	70.1	Confident	68 Å²	68	72 Å²	72	36%	0.356	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-29.6	-174.5	-77.5	170.5	0	0	0	114.9	Y438 L453 H454	Y438-L450 HydrophobicContact CD1-CD2 3.45Å; Y438-L450 VanDerWaalsContact CD1-CD2 3.45Å; Y438-L450 HydrophobicContact CD1-CG 3.84Å; Y438-L450 HydrophobicContact CD2-CD2 4.28Å; Y438-L450 HydrophobicContact CD2-CG 3.98Å; Y438-L450 HydrophobicContact CE1-CD1 4.1Å; Y438-L450 HydrophobicContact CE1-CD2 3.72Å; Y438-L450 HydrophobicContact CE1-CG 3.68Å; Y438-L450 HydrophobicContact CE2-CD2 4.46Å; Y438-L450 HydrophobicContact CE2-CG 3.79Å; Y438-L450 HydrophobicContact CG-CD2 3.76Å; Y438-L450 HydrophobicContact CG-CG 3.99Å; L450-L453 HydrophobicContact CD2-CD2 4.42Å; L450-L453 PolarHBondContact O-N 2.77Å; L450-H454 WeakPolarHBondContact O-CB 3.42Å; L450-H454 PolarHBondContact O-N 3.3Å; L450-H454 PolarHBondContact O-ND1 3.24Å
451	A	66.8	Low	69.2	Low	61 Å²	61	81.5 Å²	81.5	50%	0.504	43%	0.431	S	S	.	.	H	α-helix	trans	-69.9	-35.3	179.2	0	0	0	0	0	112.3	H449 S455	H449-A451 VanDerWaalsContact C-N 3.29Å; H449-A451 PolarHBondContact O-N 3.49Å; A451-S455 WeakPolarHBondContact O-CB 3.32Å; A451-S455 PolarHBondContact O-N 2.81Å
452	A	71.1	Confident	68.1	Low	26 Å²	26	79 Å²	79	22%	0.215	43%	0.428	C	S	.	.	H	α-helix	trans	-66.5	-44.1	171	0	0	0	0	0	111.4	Y447 H449 S455 H456	Y447-A452 HydrophobicContact CD1-CB 4.14Å; Y447-A452 HydrophobicContact CG-CB 4.43Å; H449-A452 PolarHBondContact NE2-N 3.27Å; H449-A452 PolarHBondContact O-N 3.43Å; H449-A452 VanDerWaalsContact O-N 3.17Å; A452-S455 PolarHBondContact O-N 2.6Å; A452-H456 WeakPolarHBondContact O-CB 3.23Å; A452-H456 PolarHBondContact O-N 3.19Å
453	L	74.9	Confident	66.3	Low	18 Å²	18	84.5 Å²	84.5	9%	0.094	44%	0.442	C	S	.	.	H	α-helix	trans	-59.5	-48.9	174.2	175.6	58.1	0	0	0	111.5	C440 Y447 H449 L450 S455 H456 L457	C440-L453 HydrophobicContact CB-CD1 3.52Å; Y447-L453 HydrophobicContact CD2-CB 4.34Å; Y447-L453 HydrophobicContact CD2-CD1 3.95Å; Y447-L453 HydrophobicContact CE2-CD1 4.44Å; Y447-L453 HydrophobicContact CG-CB 4.5Å; H449-L453 PolarHBondContact O-N 2.97Å; L450-L453 HydrophobicContact CD2-CD2 4.42Å; L450-L453 PolarHBondContact O-N 2.77Å; L453-S455 VanDerWaalsContact C-N 3.27Å; L453-S455 PolarHBondContact O-N 2.84Å; L453-H456 CarbonylContact O-C 3.46Å; L453-H456 WeakPolarHBondContact O-CA 3.33Å; L453-H456 WeakPolarHBondContact O-CB 3.48Å; L453-H456 PolarHBondContact O-N 3.15Å; L453-L457 HydrophobicContact CD1-CD1 4Å; L453-L457 HydrophobicContact CD1-CD2 4.44Å; L453-L457 HydrophobicContact CD1-CG 3.9Å; L453-L457 HydrophobicContact CD2-CD1 4.49Å; L453-L457 HydrophobicContact CG-CD1 3.87Å; L453-L457 HydrophobicContact CG-CG 4.26Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 2.87Å
454	H	65.2	Low	63.9	Low	100 Å²	100	88.7 Å²	88.7	46%	0.463	47%	0.469	S	S	.	.	H	α-helix	trans	-61.7	-33.7	176.4	-75.7	125.4	0	0	0	113.1	L450 R458	L450-H454 WeakPolarHBondContact O-CB 3.42Å; L450-H454 PolarHBondContact O-N 3.3Å; L450-H454 PolarHBondContact O-ND1 3.24Å; H454-R458 WeakPolarHBondContact O-CG 3.43Å; H454-R458 PolarHBondContact O-N 3.37Å
455	S	71.8	Confident	62.2	Low	66 Å²	66	89.8 Å²	89.8	46%	0.462	48%	0.478	S	S	.	.	H	α-helix	trans	-71.6	-33.1	173.5	-149.6	0	0	0	0	112.7	A451 A452 L453 R458	A451-S455 WeakPolarHBondContact O-CB 3.32Å; A451-S455 PolarHBondContact O-N 2.81Å; A452-S455 PolarHBondContact O-N 2.6Å; L453-S455 VanDerWaalsContact C-N 3.27Å; L453-S455 PolarHBondContact O-N 2.84Å; S455-R458 VanDerWaalsContact CA-NH2 3.28Å; S455-R458 PolarHBondContact OG-NH2 3.04Å
456	H	78	Confident	60.3	Low	30 Å²	30	90.8 Å²	90.8	14%	0.139	49%	0.489	C	S	.	.	H	α-helix	trans	-70.7	-43.7	172.5	175.9	56.5	0	0	0	112.3	C440 C443 Y447 A452 L453 R458 S459 H460	C440-H456 PolarHBondContact SG-CD2 2.75Å; C440-H456 PolarHBondContact SG-NE2 3.02Å; C443-H456 PolarHBondContact SG-NE2 3.36Å; Y447-H456 HydrophobicContact CD2-CB 4.47Å; Y447-H456 HydrophobicContact CE1-CB 4.11Å; Y447-H456 HydrophobicContact CE2-CB 3.87Å; Y447-H456 AromaticContact CE2-CD2 3.37Å; Y447-H456 WeakPolarHBondContact CE2-CD2 3.41Å; Y447-H456 AromaticContact CE2-CG 3.61Å; Y447-H456 AromaticContact CZ-CD2 3.64Å; Y447-H456 AromaticContact CZ-CG 3.43Å; Y447-H456 VanDerWaalsContact CZ-CG 3.43Å; Y447-H456 AromaticContact CZ-ND1 3.98Å; Y447-H456 PolarHBondContact OH-CD2 3.29Å; Y447-H456 PolarHBondContact OH-ND1 3.3Å; A452-H456 WeakPolarHBondContact O-CB 3.23Å; A452-H456 PolarHBondContact O-N 3.19Å; L453-H456 CarbonylContact O-C 3.46Å; L453-H456 WeakPolarHBondContact O-CA 3.33Å; L453-H456 WeakPolarHBondContact O-CB 3.48Å; L453-H456 PolarHBondContact O-N 3.15Å; H456-R458 PolarHBondContact O-N 3.12Å; H456-S459 WeakPolarHBondContact O-CA 3.31Å; H456-S459 WeakPolarHBondContact O-CB 3.39Å; H456-S459 PolarHBondContact O-N 2.73Å; H456-S459 PolarHBondContact O-OG 2.99Å; H456-H460 AromaticContact CD2-NE2 3.41Å; H456-H460 PolarHBondContact CD2-NE2 3.48Å; H456-H460 AromaticContact CE1-NE2 3.28Å; H456-H460 PolarHBondContact CE1-NE2 3.16Å; H456-H460 VanDerWaalsContact CE1-NE2 3.28Å; H456-H460 AromaticContact NE2-CD2 3.87Å; H456-H460 AromaticContact NE2-NE2 2.48Å; H456-H460 PolarHBondContact NE2-NE2 3.12Å
457	L	70.8	Confident	58.8	Low	49 Å²	49	93.8 Å²	93.8	26%	0.257	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-32.2	177.6	-72.7	169.3	0	0	0	112.8	I442 L453 S459 H460	I442-L457 HydrophobicContact CD1-CD2 3.74Å; I442-L457 HydrophobicContact CG1-CD2 4.23Å; L453-L457 HydrophobicContact CD1-CD1 4Å; L453-L457 HydrophobicContact CD1-CD2 4.44Å; L453-L457 HydrophobicContact CD1-CG 3.9Å; L453-L457 HydrophobicContact CD2-CD1 4.49Å; L453-L457 HydrophobicContact CG-CD1 3.87Å; L453-L457 HydrophobicContact CG-CG 4.26Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 2.87Å; L457-S459 PolarHBondContact O-N 2.95Å; L457-H460 PolarHBondContact O-N 3.22Å; L457-H460 VanDerWaalsContact O-N 3.15Å
458	R	71.9	Confident	57	Low	161 Å²	161	96.3 Å²	96.3	61%	0.608	53%	0.525	S	S	*	.	H	α-helix	trans	-60.8	-22.7	170	-75.7	-176.3	-71.2	-102.2	4.7	113.7	H454 S455 H456	H454-R458 WeakPolarHBondContact O-CG 3.43Å; H454-R458 PolarHBondContact O-N 3.37Å; S455-R458 VanDerWaalsContact CA-NH2 3.28Å; S455-R458 PolarHBondContact OG-NH2 3.04Å; H456-R458 PolarHBondContact O-N 3.12Å
459	S	64.5	Low	55.4	Low	73 Å²	73	100.5 Å²	100.5	51%	0.51	54%	0.541	S	S	.	.	H	α-helix	trans	-69.6	-35.4	175	-38.5	0	0	0	0	112.2	H456 L457 G462	H456-S459 WeakPolarHBondContact O-CA 3.31Å; H456-S459 WeakPolarHBondContact O-CB 3.39Å; H456-S459 PolarHBondContact O-N 2.73Å; H456-S459 PolarHBondContact O-OG 2.99Å; L457-S459 PolarHBondContact O-N 2.95Å; S459-G462 PolarHBondContact O-N 2.83Å
460	H	69.1	Low	53.1	Low	76 Å²	76	101.2 Å²	101.2	35%	0.352	57%	0.565	S	S	.	*	H	α-helix	trans	-70.1	-32.6	179.4	-69.4	-63.7	0	0	0	112.1	C440 I442 C443 H456 L457 G462	C440-H460 PolarHBondContact SG-NE2 3.24Å; I442-H460 HydrophobicContact CD1-CB 4.15Å; C443-H460 WeakPolarHBondContact CB-CE1 2.79Å; C443-H460 PolarHBondContact SG-NE2 3.01Å; H456-H460 AromaticContact CD2-NE2 3.41Å; H456-H460 PolarHBondContact CD2-NE2 3.48Å; H456-H460 AromaticContact CE1-NE2 3.28Å; H456-H460 PolarHBondContact CE1-NE2 3.16Å; H456-H460 VanDerWaalsContact CE1-NE2 3.28Å; H456-H460 AromaticContact NE2-CD2 3.87Å; H456-H460 AromaticContact NE2-NE2 2.48Å; H456-H460 PolarHBondContact NE2-NE2 3.12Å; L457-H460 PolarHBondContact O-N 3.22Å; L457-H460 VanDerWaalsContact O-N 3.15Å; H460-G462 PolarHBondContact O-N 3.21Å
461	K	58.5	Low	51.2	Low	200 Å²	200	103.1 Å²	103.1	87%	0.87	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	2.2	171.1	-75.4	-165.3	171.8	-173.2	0	114.7
462	G	41	Very low	49.2	Very low	64 Å²	64	106.2 Å²	106.2	66%	0.66	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	5.1	178.7	0	0	0	0	0	116.2	S459 H460	S459-G462 PolarHBondContact O-N 2.83Å; H460-G462 PolarHBondContact O-N 3.21Å
463	R	34.6	Very low	47.2	Very low	219 Å²	219	109.1 Å²	109.1	83%	0.826	61%	0.611	S	S	*	*			trans	-144.4	106.6	-168.1	-158.7	-179.3	-158.5	-109.9	6.2	113.9
464	P	31.3	Very low	44.9	Very low	126 Å²	126	112.5 Å²	112.5	82%	0.818	64%	0.636	S	S	*	*			trans	-100.7	142.4	162.2	34.9	-28.5	0	0	0	111.6
465	S	30.5	Very low	43.2	Very low	110 Å²	110	114.6 Å²	114.6	77%	0.769	65%	0.651	S	S	*	*			trans	-150	145.8	162.8	-175.6	0	0	0	0	109.6
466	N	27.8	Very low	40.9	Very low	144 Å²	144	121.9 Å²	121.9	77%	0.77	67%	0.669	S	S	*	*			trans	-58.4	153.5	162.2	-70.3	-11.4	0	0	0	110.2
467	Q	32.1	Very low	38.6	Very low	180 Å²	180	127 Å²	127	84%	0.841	70%	0.696	S	S	*	*			cis	-148.1	-173.2	0.9	-122.1	-169	-3.3	0	0	109.4
468	P	35.6	Very low	36.3	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	72%	0.721	S	S	*	*			trans	-105.2	168.9	-155.3	42.1	-40.5	0	0	0	116.4
469	I	27.6	Very low	35.2	Very low	174 Å²	174	127.5 Å²	127.5	89%	0.892	73%	0.726	S	S	*	*				176.1	152.9	126.6	-91.5	156.7	0	0	0	108.4
470	G	25.1	Very low	33.3	Very low	78 Å²	78	132.9 Å²	132.9	80%	0.804	74%	0.743	S	S	*	*			trans	104	117.7	169	0	0	0	0	0	114.2
471	S	26.5	Very low	31.8	Very low	109 Å²	109	134 Å²	134	76%	0.762	76%	0.758	S	S	*	*			trans	-133.4	123.4	173.7	169.2	0	0	0	0	108.4
472	D	24.8	Very low	30.2	Very low	125 Å²	125	132 Å²	132	67%	0.668	76%	0.755	S	S	*	*			trans	-152.1	174.1	135.3	-135.6	-26.8	0	0	0	112.3	N298	N298-D472 PolarHBondContact ND2-OD1 3.35Å
473	S	30.5	Very low	29.7	Very low	87 Å²	87	135.4 Å²	135.4	61%	0.608	76%	0.764	S	S	*	*			trans	-91.8	150.3	-158.5	-177	0	0	0	0	115.7
474	S	26.2	Very low	29.6	Very low	89 Å²	89	132.3 Å²	132.3	62%	0.622	76%	0.763	S	S	*	*				162.4	134.1	106.7	-75.8	0	0	0	0	117
475	D	28.6	Very low	29.4	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	76%	0.757	S	S	*	*			trans	21.4	108.3	147.7	-55.6	-36.2	0	0	0	122.8
476	W	24.8	Very low	29.3	Very low	218 Å²	218	132 Å²	132	83%	0.826	75%	0.754	S	S	*	*			trans	-145.9	131.4	152.7	-67.5	74.7	0	0	0	107.4
477	L	28.1	Very low	29.5	Very low	137 Å²	137	132.4 Å²	132.4	72%	0.717	75%	0.751	S	S	*	*			cis	-164.9	158	6.7	-118.3	-179.6	0	0	0	110.7
478	S	23.9	Very low	29.4	Very low	111 Å²	111	131 Å²	131	78%	0.776	74%	0.744	S	S	*	*			trans	172.5	150.1	134.5	-77.9	0	0	0	0	111.8
479	P	48.6	Very low	28.9	Very low	111 Å²	111	131.6 Å²	131.6	72%	0.721	75%	0.75	S	S	*	*			cis	-136.6	-178.3	-40.6	39.7	-23.4	0	0	0	113.4
480	E	25	Very low	28.8	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.864	75%	0.745	S	S	*	*			trans	120.6	155.6	163.4	-63.1	-103.5	83.9	0	0	115.1
481	P	37.8	Very low	28.9	Very low	101 Å²	101	134.6 Å²	134.6	66%	0.656	74%	0.74	S	S	*	*			trans	-118.8	-164	-155.6	43	-30.8	0	0	0	116
482	L	25.1	Very low	29	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	73%	0.732	S	S	*	*			trans	84.4	146.5	-176.6	-48.6	170.6	0	0	0	113.1
483	T	30.5	Very low	29.1	Very low	136 Å²	136	137.7 Å²	137.7	83%	0.834	74%	0.739	S	S	*	*			cis	-150	-160.8	-0.9	-7.8	0	0	0	0	112.3
484	L	30.8	Very low	28.9	Very low	154 Å²	154	136.7 Å²	136.7	81%	0.806	74%	0.742	S	S	*	*			trans	-76.5	178.1	-171.8	-138.2	72.9	0	0	0	116.4
485	D	28.5	Very low	29	Very low	130 Å²	130	140 Å²	140	70%	0.695	75%	0.753	S	S	*	*			trans	73.2	154.8	163.9	-96.9	-102.5	0	0	0	119
486	S	28.3	Very low	28.8	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	75%	0.749	S	S	*	*			cis	-144.3	-157.6	2.6	-152.6	0	0	0	0	114
487	Q	30.9	Very low	29	Very low	152 Å²	152	133.6 Å²	133.6	71%	0.71	74%	0.743	S	S	*	*			trans	-105.9	-166.2	-163	-54.5	178.4	19	0	0	116.1
488	Q	30	Very low	29	Very low	150 Å²	150	134.7 Å²	134.7	70%	0.701	75%	0.75	S	S	*	*			trans	70.3	130.1	179.9	-74.7	66.3	52	0	0	115.5
489	S	26.1	Very low	29.3	Very low	114 Å²	114	135.5 Å²	135.5	80%	0.797	75%	0.75	S	S	*	*			cis	84.5	105.3	28.5	-55.6	0	0	0	0	115.4
490	Y	25.9	Very low	29	Very low	200 Å²	200	136.6 Å²	136.6	78%	0.784	76%	0.757	S	S	*	*				-171.3	-170.7	117	-161.5	-112.6	0	0	0	110.4
491	V	27.1	Very low	29.1	Very low	115 Å²	115	134.8 Å²	134.8	70%	0.697	75%	0.752	S	S	*	*			trans	-134.3	168.9	-163.6	-169.5	0	0	0	0	110.8
492	Q	26.9	Very low	28.5	Very low	127 Å²	127	135.7 Å²	135.7	59%	0.593	76%	0.761	S	S	*	*			trans	114.3	118.1	138.1	-155.1	157.3	21.4	0	0	119.2
493	E	27.5	Very low	28.8	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.804	76%	0.761	S	S	*	*			trans	37.5	157.6	143.3	-60.5	165.4	-118.6	0	0	122.1
494	G	26.4	Very low	29.7	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	76%	0.759	S	S	*	*			cis	157.4	137.9	-6.6	0	0	0	0	0	112.8
495	N	27.5	Very low	29.5	Very low	160 Å²	160	131.1 Å²	131.1	86%	0.856	76%	0.755	S	S	*	*			trans	63.3	163.3	172.5	-75.7	-5.8	0	0	0	116.8
496	T	25.1	Very low	29.5	Very low	112 Å²	112	131.8 Å²	131.8	69%	0.687	76%	0.759	S	S	*	*			cis	-155.7	153.7	3.8	-5.4	0	0	0	0	112.5
497	T	30	Very low	29.6	Very low	115 Å²	115	134.7 Å²	134.7	71%	0.706	77%	0.766	S	S	*	*			trans	40	133.7	150.4	51.9	0	0	0	0	123.9
498	N	28.3	Very low	29.5	Very low	161 Å²	161	130.8 Å²	130.8	86%	0.861	77%	0.767	S	S	*	*				-168.6	149	113.4	-105.1	-29.3	0	0	0	115.2
499	T	30.2	Very low	29.3	Very low	128 Å²	128	131 Å²	131	79%	0.785	77%	0.773	S	S	*	*			trans	-154.8	150.9	174.7	50.1	0	0	0	0	110.5
500	P	42.3	Very low	29.4	Very low	133 Å²	133	130.5 Å²	130.5	86%	0.864	77%	0.769	S	S	*	*			trans	-139.3	174.3	141.3	34.4	-18.2	0	0	0	115.1
501	I	26.6	Very low	29.6	Very low	148 Å²	148	125.9 Å²	125.9	76%	0.759	77%	0.766	S	S	*	*			trans	-110.8	163.3	-169.1	-71.4	164.7	0	0	0	111.1
502	S	23.8	Very low	29.7	Very low	120 Å²	120	128.2 Å²	128.2	84%	0.839	77%	0.769	S	S	*	*			trans	-146.1	151.5	158	-72.1	0	0	0	0	113
503	L	32.5	Very low	29.5	Very low	156 Å²	156	130.4 Å²	130.4	82%	0.817	78%	0.777	S	S	*	*			trans	-146.7	179.7	-177.4	-97.8	165.3	0	0	0	106.5
504	P	48.2	Very low	29.9	Very low	124 Å²	124	128 Å²	128	81%	0.805	77%	0.774	S	S	*	*			cis	-146.9	-176.6	23.4	43.9	-23.4	0	0	0	118.5
505	G	28.5	Very low	31.1	Very low	70 Å²	70	129.9 Å²	129.9	72%	0.722	77%	0.774	S	S	*	*			trans	100.3	154.2	151.4	0	0	0	0	0	118.2
506	N	28.1	Very low	31	Very low	145 Å²	145	129.9 Å²	129.9	78%	0.775	77%	0.774	S	S	*	*			cis	-165.3	147.2	-9.7	-160.6	15.7	0	0	0	112.7
507	L	30.5	Very low	31.1	Very low	161 Å²	161	127.5 Å²	127.5	84%	0.843	77%	0.771	S	S	*	*			trans	55.8	151.3	169	-52.8	-177.6	0	0	0	120.1
508	G	27.8	Very low	31.1	Very low	70 Å²	70	125.3 Å²	125.3	72%	0.722	77%	0.772	S	S	*	*			cis	176.5	137.6	-10.3	0	0	0	0	0	116.6
509	D	26.5	Very low	31.2	Very low	155 Å²	155	126 Å²	126	83%	0.829	77%	0.769	S	S	*	*			trans	71.2	148.3	144.1	-153.9	44.5	0	0	0	126.1
510	S	28.5	Very low	31.1	Very low	103 Å²	103	124.4 Å²	124.4	72%	0.72	76%	0.763	S	S	*	*			trans	76	157.3	152.9	-86.8	0	0	0	0	122.7
511	S	28.9	Very low	30.7	Very low	102 Å²	102	123.7 Å²	123.7	71%	0.713	76%	0.761	S	S	*	*			trans	-155	179.6	-159.2	65.6	0	0	0	0	113.6
512	H	29.9	Very low	30.9	Very low	164 Å²	164	119.8 Å²	119.8	76%	0.759	76%	0.758	S	S	*	*			trans	88.8	147.6	153	-106	-83.3	0	0	0	122
513	F	23	Very low	31.1	Very low	174 Å²	174	121.8 Å²	121.8	76%	0.763	76%	0.758	S	S	*	*			trans	80	162.7	160.2	-88.9	-81.8	0	0	0	122.3
514	V	34.6	Very low	30.9	Very low	122 Å²	122	120.2 Å²	120.2	74%	0.739	75%	0.751	S	S	*	*			trans	-165.2	175	-157.6	-77.6	0	0	0	0	107
515	P	53	Low	30	Very low	105 Å²	105	118.5 Å²	118.5	68%	0.682	74%	0.741	S	S	*	*			cis	-141.5	-152.2	18.1	36.9	-11	0	0	0	114.9
516	D	23.8	Very low	30.4	Very low	160 Å²	160	122.4 Å²	122.4	86%	0.856	75%	0.745	S	S	*	*			trans	69	161.1	163.7	-71.7	-52.2	0	0	0	119.3
517	G	29	Very low	30.4	Very low	61 Å²	61	123.6 Å²	123.6	63%	0.629	75%	0.746	S	S	*	*			cis	160.5	148.6	-9.8	0	0	0	0	0	114.1
518	G	29.8	Very low	30.5	Very low	70 Å²	70	124.9 Å²	124.9	72%	0.722	75%	0.745	S	S	*	*			trans	75.2	165.5	175.8	0	0	0	0	0	115.8
519	H	29.5	Very low	30.5	Very low	174 Å²	174	130.4 Å²	130.4	81%	0.806	75%	0.752	S	S	*	*			cis	-151.8	133.4	-1.3	-89.7	-71.9	0	0	0	107.3
520	S	29.5	Very low	30.5	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	74%	0.74	S	S	*	*				63.6	137.8	71.1	81	0	0	0	0	114.8
521	S	33.1	Very low	30.5	Very low	118 Å²	118	132.8 Å²	132.8	83%	0.825	74%	0.742	S	S	*	*			cis	177.6	162.8	-4.2	43.4	0	0	0	0	112.3
522	G	30	Very low	30.4	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	74%	0.742	S	S	*	*			trans	99.4	155.7	153.8	0	0	0	0	0	116.6
523	L	28.7	Very low	30.2	Very low	163 Å²	163	135.1 Å²	135.1	85%	0.853	74%	0.744	S	S	*	*			cis	-151.1	174.8	-0.7	-69.7	176.7	0	0	0	107.8
524	D	28	Very low	30.2	Very low	123 Å²	123	129.9 Å²	129.9	66%	0.658	74%	0.739	S	S	*	*			cis	-156.9	173	5	-142.8	-62	0	0	0	112.5
525	S	29.6	Very low	29.7	Very low	87 Å²	87	129.4 Å²	129.4	61%	0.608	74%	0.741	S	S	*	*			trans	66.1	98.8	141.5	-75.6	0	0	0	0	125.5
526	L	36.5	Very low	28.3	Very low	153 Å²	153	129.6 Å²	129.6	80%	0.801	75%	0.745	S	S	*	*				87.7	126.4	117.6	-63.7	-177	0	0	0	124.7
527	E	29.3	Very low	28.4	Very low	170 Å²	170	129.8 Å²	129.8	79%	0.794	75%	0.745	S	S	*	*			trans	66.8	99.1	144.2	-60.9	-162.7	129.9	0	0	125
528	F	32.6	Very low	28.1	Very low	187 Å²	187	132.1 Å²	132.1	82%	0.82	75%	0.752	S	S	*	*				43	107.8	114.6	-107.6	-85.8	0	0	0	121.3
529	H	26.9	Very low	28	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.866	76%	0.759	S	S	*	*				-165.9	-173.9	113.8	-113.2	76.5	0	0	0	115
530	D	27	Very low	27.8	Very low	109 Å²	109	134.2 Å²	134.2	58%	0.583	75%	0.754	S	S	*	*			trans	-118.3	160.8	-149.8	-163.2	9.5	0	0	0	114
531	R	28.8	Very low	27.6	Very low	199 Å²	199	134.7 Å²	134.7	75%	0.751	76%	0.758	S	S	*	*			trans	76.4	131.2	154.5	-78.7	168.1	-142.7	-147.2	-0.3	125.7
532	F	26.6	Very low	27.3	Very low	167 Å²	167	134.1 Å²	134.1	73%	0.732	75%	0.754	S	S	*	*				120	136	118.7	-116.9	-110.3	0	0	0	121
533	D	25.4	Very low	27.2	Very low	147 Å²	147	137.3 Å²	137.3	79%	0.786	76%	0.761	S	S	*	*			trans	43	143.6	160.9	-82.5	-17.9	0	0	0	124.1
534	G	23.2	Very low	27.5	Very low	65 Å²	65	136.5 Å²	136.5	67%	0.67	75%	0.752	S	S	*	*				123.6	60.9	124.8	0	0	0	0	0	122.4
535	S	23.5	Very low	27.7	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	77%	0.767	S	S	*	*			trans	67	118.6	147.6	-48.2	0	0	0	0	122
536	S	23.8	Very low	27.9	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	77%	0.768	S	S	*	*			trans	63	145.5	141.1	61.1	0	0	0	0	121
537	L	26.1	Very low	28	Very low	164 Å²	164	142.6 Å²	142.6	86%	0.859	77%	0.769	S	S	*	*			cis	-167.6	125.9	-8.2	-114.6	172	0	0	0	109.9
538	S	23.2	Very low	29	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	76%	0.764	S	S	*	*			trans	-162	122.3	158.7	46.6	0	0	0	0	113.7
539	Q	27.6	Very low	30.1	Very low	185 Å²	185	138.8 Å²	138.8	86%	0.864	75%	0.752	S	S	*	*			trans	21.5	137.7	134.1	-58.1	174.9	7.5	0	0	117.7
540	S	24.7	Very low	31.8	Very low	103 Å²	103	133 Å²	133	72%	0.72	73%	0.725	S	S	*	*			cis	153.6	157.1	14.8	50.5	0	0	0	0	105.4
541	S	25	Very low	33.6	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	72%	0.721	S	S	*	*			cis	-178.8	128.4	-12.4	49.5	0	0	0	0	110.5
542	S	26.2	Very low	35.3	Very low	107 Å²	107	123 Å²	123	75%	0.748	69%	0.69	S	S	*	*			trans	-179.7	153.1	152.8	50.8	0	0	0	0	112.2
543	T	29	Very low	36.8	Very low	133 Å²	133	120 Å²	120	82%	0.816	70%	0.696	S	S	*	*			trans	52.4	147.1	160	51.7	0	0	0	0	120.1
544	H	34.7	Very low	38.2	Very low	145 Å²	145	118.2 Å²	118.2	67%	0.671	69%	0.686	S	S	*	*			cis	-147.8	121.5	-16.6	-164.6	-107.4	0	0	0	109.4
545	R	31.4	Very low	39.9	Very low	257 Å²	257	117.9 Å²	117.9	97%	0.97	67%	0.673	S	S	*	*			trans	-146.1	143.1	165.5	-87.6	-164.5	173.2	-168.3	-1.7	110
546	Q	35.4	Very low	41.5	Very low	136 Å²	136	114.9 Å²	114.9	64%	0.636	66%	0.66	S	S	*	*			trans	-148.6	83.1	-158.5	-171.6	178.3	32.6	0	0	111.7
547	A	37.7	Very low	43.2	Very low	99 Å²	99	115 Å²	115	82%	0.818	65%	0.648	S	S	*	*			trans	-157.9	41.7	177.1	0	0	0	0	0	115.2
548	D	49.6	Very low	44.8	Very low	130 Å²	130	112.1 Å²	112.1	70%	0.695	63%	0.632	S	S	*	*			trans	-161.3	111.1	152.3	-115.7	-29.5	0	0	0	108.5
549	R	56.8	Low	46.7	Very low	147 Å²	147	110.1 Å²	110.1	56%	0.555	61%	0.608	S	S	*	*			trans	-142.6	137.8	176	-80.8	-170.8	175.9	-179.9	-2.8	110.1	Y559	R549-Y559 CarbonylContact C-O 3.59Å; R549-Y559 VanDerWaalsContact CA-O 3.27Å; R549-Y559 WeakPolarHBondContact CA-O 3.45Å
550	H	62.2	Low	48.3	Very low	65 Å²	65	103.9 Å²	103.9	30%	0.301	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.4	137.1	-176.2	-62.9	69.1	0	0	0	108.6	Y559 V562 I565	H550-Y559 PolarHBondContact N-O 2.85Å; H550-Y559 PolarHBondContact O-N 3.42Å; H550-V562 WeakPolarHBondContact NE2-CG2 3.09Å; H550-I565 VanDerWaalsContact C-CD1 3.41Å; H550-I565 HydrophobicContact CB-CD1 3.76Å; H550-I565 HydrophobicContact CB-CG2 4.45Å; H550-I565 WeakPolarHBondContact O-CD1 3.34Å
551	V	64.6	Low	50.1	Low	82 Å²	82	102.5 Å²	102.5	50%	0.497	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.4	133.6	-169.1	-167.3	0	0	0	0	112.2	A553 G556 E557 M558 I565	V551-A553 PolarHBondContact O-N 2.69Å; V551-G556 VanDerWaalsContact CG1-O 3.31Å; V551-G556 WeakPolarHBondContact CG1-O 3.18Å; V551-E557 WeakPolarHBondContact CA-O 3.29Å; V551-M558 HydrophobicContact CG1-CG 4.14Å; V551-M558 HydrophobicContact CG2-CG 3.84Å; V551-M558 HydrophobicContact CG2-SD 4.05Å; V551-I565 WeakPolarHBondContact O-CD1 3.44Å
552	C	64.1	Low	51.7	Low	15 Å²	15	101.5 Å²	101.5	10%	0.101	57%	0.567	C	S	.	*			trans	-79.4	118.8	-177.3	-177.7	0	0	0	0	110.3	D554 C555 G556 E557 I565 H568	C552-D554 VanDerWaalsContact C-N 3.27Å; C552-D554 PolarHBondContact O-N 2.8Å; C552-C555 PolarHBondContact O-N 3.29Å; C552-G556 WeakPolarHBondContact O-CA 3.37Å; C552-G556 PolarHBondContact O-N 3.01Å; C552-E557 PolarHBondContact N-O 3.19Å; C552-I565 HydrophobicContact CB-CD1 4.45Å; C552-I565 HydrophobicContact CB-CG1 4.38Å; C552-H568 PolarHBondContact SG-CD2 3.11Å; C552-H568 PolarHBondContact SG-NE2 2.84Å; C552-H568 VanDerWaalsContact SG-NE2 3.44Å
553	A	58.8	Low	53.3	Low	104 Å²	104	100.1 Å²	100.1	86%	0.86	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-25.1	-173.3	0	0	0	0	0	114.4	V551	V551-A553 PolarHBondContact O-N 2.69Å
554	D	54.9	Low	54.9	Low	110 Å²	110	94.6 Å²	94.6	59%	0.588	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-11.1	-176.6	-64.5	-51.3	0	0	0	113.8	C552 C570	C552-D554 VanDerWaalsContact C-N 3.27Å; C552-D554 PolarHBondContact O-N 2.8Å; D554-C570 HydrophobicContact CB-CB 4.09Å
555	C	58.4	Low	56.1	Low	59 Å²	59	89.5 Å²	89.5	40%	0.399	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.3	-11.8	-178.1	67.9	0	0	0	0	117.1	C552 H568	C552-C555 PolarHBondContact O-N 3.29Å; C555-H568 PolarHBondContact SG-CE1 3.27Å; C555-H568 PolarHBondContact SG-NE2 2.96Å
556	G	58.2	Low	57.3	Low	48 Å²	48	82 Å²	82	50%	0.495	48%	0.479	S	S	.	.			trans	87	-4.9	176.9	0	0	0	0	0	116.7	V551 C552	V551-G556 VanDerWaalsContact CG1-O 3.31Å; V551-G556 WeakPolarHBondContact CG1-O 3.18Å; C552-G556 WeakPolarHBondContact O-CA 3.37Å; C552-G556 PolarHBondContact O-N 3.01Å
557	E	58.8	Low	58.2	Low	111 Å²	111	79.8 Å²	79.8	52%	0.519	48%	0.478	S	S	.	.			trans	-67	143.3	-178.6	-82.4	-59.9	148.8	0	0	114	V551 C552 Y559	V551-E557 WeakPolarHBondContact CA-O 3.29Å; C552-E557 PolarHBondContact N-O 3.19Å; E557-Y559 HydrophobicContact CB-CE2 3.62Å
558	M	60.3	Low	59.5	Low	105 Å²	105	76.7 Å²	76.7	52%	0.517	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.7	-170.7	-62.6	-153.3	-75.7	0	0	113.6	V551	V551-M558 HydrophobicContact CG1-CG 4.14Å; V551-M558 HydrophobicContact CG2-CG 3.84Å; V551-M558 HydrophobicContact CG2-SD 4.05Å
559	Y	62.1	Low	59.3	Low	66 Å²	66	78.1 Å²	78.1	26%	0.259	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.1	-176.2	-64.5	-80.2	0	0	0	112.8	R549 H550 E557 D561 I565 H568	R549-Y559 CarbonylContact C-O 3.59Å; R549-Y559 VanDerWaalsContact CA-O 3.27Å; R549-Y559 WeakPolarHBondContact CA-O 3.45Å; H550-Y559 PolarHBondContact N-O 2.85Å; H550-Y559 PolarHBondContact O-N 3.42Å; E557-Y559 HydrophobicContact CB-CE2 3.62Å; Y559-D561 VanDerWaalsContact C-N 3.26Å; Y559-D561 PolarHBondContact O-N 3.44Å; Y559-I565 HydrophobicContact CD2-CB 4.22Å; Y559-I565 HydrophobicContact CD2-CD1 4.21Å; Y559-I565 HydrophobicContact CD2-CG1 3.82Å; Y559-I565 HydrophobicContact CG-CB 4.44Å; Y559-H568 HydrophobicContact CE2-CB 4.14Å; Y559-H568 AromaticContact CE2-CG 3.98Å; Y559-H568 AromaticContact CE2-ND1 3.6Å; Y559-H568 AromaticContact CZ-ND1 3.46Å; Y559-H568 PolarHBondContact OH-ND1 2.68Å
560	G	61.2	Low	59.2	Low	55 Å²	55	72.1 Å²	72.1	57%	0.567	43%	0.432	S	S	*	.	S	Bend	trans	-70.1	-14.1	-177.4	0	0	0	0	0	115.6
561	D	63.3	Low	58.5	Low	73 Å²	73	74.4 Å²	74.4	39%	0.39	45%	0.452	S	S	.	.	S	Bend	trans	-153.7	173.6	-178.4	97.1	-55.3	0	0	0	112.8	Y559 S563 G564	Y559-D561 VanDerWaalsContact C-N 3.26Å; Y559-D561 PolarHBondContact O-N 3.44Å; D561-S563 VanDerWaalsContact C-N 3.28Å; D561-S563 PolarHBondContact O-N 2.86Å; D561-S563 PolarHBondContact OD1-N 2.92Å; D561-S563 WeakPolarHBondContact OD2-CA 3.4Å; D561-S563 WeakPolarHBondContact OD2-CB 3.37Å; D561-S563 PolarHBondContact OD2-N 3.46Å; D561-S563 PolarHBondContact OD2-OG 2.88Å; D561-G564 PolarHBondContact OD1-N 2.82Å
562	V	57.6	Low	57.7	Low	84 Å²	84	81 Å²	81	51%	0.509	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-20.5	-179.9	-177.1	0	0	0	0	112.4	H550 K566	H550-V562 WeakPolarHBondContact NE2-CG2 3.09Å; V562-K566 WeakPolarHBondContact O-CB 3.47Å; V562-K566 PolarHBondContact O-N 3.47Å
563	S	61.2	Low	56.9	Low	78 Å²	78	91.3 Å²	91.3	55%	0.545	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-50.4	177.1	-42.4	0	0	0	0	111	D561 I565 K566 S567	D561-S563 VanDerWaalsContact C-N 3.28Å; D561-S563 PolarHBondContact O-N 2.86Å; D561-S563 PolarHBondContact OD1-N 2.92Å; D561-S563 WeakPolarHBondContact OD2-CA 3.4Å; D561-S563 WeakPolarHBondContact OD2-CB 3.37Å; D561-S563 PolarHBondContact OD2-N 3.46Å; D561-S563 PolarHBondContact OD2-OG 2.88Å; S563-I565 PolarHBondContact O-N 2.83Å; S563-K566 CarbonylContact O-C 3.41Å; S563-K566 WeakPolarHBondContact O-CA 3.45Å; S563-K566 WeakPolarHBondContact O-CB 3.49Å; S563-K566 PolarHBondContact O-N 2.67Å; S563-S567 PolarHBondContact O-N 2.7Å; S563-S567 PolarHBondContact O-OG 2.88Å; S563-S567 VanDerWaalsContact O-OG 3.12Å
564	G	60.8	Low	56	Low	17 Å²	17	89.5 Å²	89.5	18%	0.175	50%	0.497	C	S	.	.	H	α-helix	trans	-54.6	-38.8	179.4	0	0	0	0	0	112.9	D561 K566 S567 H568	D561-G564 PolarHBondContact OD1-N 2.82Å; G564-K566 VanDerWaalsContact C-N 3.34Å; G564-S567 WeakPolarHBondContact CA-OG 3.14Å; G564-S567 PolarHBondContact O-N 3.34Å; G564-S567 PolarHBondContact O-OG 3.15Å; G564-H568 PolarHBondContact O-N 2.98Å
565	I	61.6	Low	55.4	Low	39 Å²	39	93.2 Å²	93.2	20%	0.2	51%	0.511	C	S	.	.	H	α-helix	trans	-80.4	-12.6	176.8	-142.1	165.9	0	0	0	114.5	H550 V551 C552 Y559 S563	H550-I565 VanDerWaalsContact C-CD1 3.41Å; H550-I565 HydrophobicContact CB-CD1 3.76Å; H550-I565 HydrophobicContact CB-CG2 4.45Å; H550-I565 WeakPolarHBondContact O-CD1 3.34Å; V551-I565 WeakPolarHBondContact O-CD1 3.44Å; C552-I565 HydrophobicContact CB-CD1 4.45Å; C552-I565 HydrophobicContact CB-CG1 4.38Å; Y559-I565 HydrophobicContact CD2-CB 4.22Å; Y559-I565 HydrophobicContact CD2-CD1 4.21Å; Y559-I565 HydrophobicContact CD2-CG1 3.82Å; Y559-I565 HydrophobicContact CG-CB 4.44Å; S563-I565 PolarHBondContact O-N 2.83Å
566	K	56.2	Low	54.4	Low	99 Å²	99	97.2 Å²	97.2	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-91.8	-22.2	172.6	-163.3	179.3	-174.8	-176.5	0	111.9	D323 V562 S563 G564	D323-K566 WeakPolarHBondContact OD1-CE 3.48Å; D323-K566 IonicContact OD1-NZ 2.63Å; D323-K566 PolarHBondContact OD1-NZ 3.11Å; D323-K566 WeakPolarHBondContact OD2-CE 3.25Å; D323-K566 IonicContact OD2-NZ 3.45Å; D323-K566 PolarHBondContact OD2-NZ 3.14Å; V562-K566 WeakPolarHBondContact O-CB 3.47Å; V562-K566 PolarHBondContact O-N 3.47Å; S563-K566 CarbonylContact O-C 3.41Å; S563-K566 WeakPolarHBondContact O-CA 3.45Å; S563-K566 WeakPolarHBondContact O-CB 3.49Å; S563-K566 PolarHBondContact O-N 2.67Å; G564-K566 VanDerWaalsContact C-N 3.34Å
567	S	54.4	Low	53.3	Low	89 Å²	89	103.6 Å²	103.6	62%	0.622	54%	0.54	S	S	*	.	H	α-helix	trans	-86	-16.4	167	46.3	0	0	0	0	113.9	S563 G564 M569	S563-S567 PolarHBondContact O-N 2.7Å; S563-S567 PolarHBondContact O-OG 2.88Å; S563-S567 VanDerWaalsContact O-OG 3.12Å; G564-S567 WeakPolarHBondContact CA-OG 3.14Å; G564-S567 PolarHBondContact O-N 3.34Å; G564-S567 PolarHBondContact O-OG 3.15Å; S567-M569 PolarHBondContact O-N 3.18Å
568	H	63.7	Low	52	Low	34 Å²	34	106.5 Å²	106.5	16%	0.157	55%	0.554	C	S	.	*			trans	-66.1	112.8	176.9	178.4	92	0	0	0	111.4	C552 C555 Y559 G564 C570	C552-H568 PolarHBondContact SG-CD2 3.11Å; C552-H568 PolarHBondContact SG-NE2 2.84Å; C552-H568 VanDerWaalsContact SG-NE2 3.44Å; C555-H568 PolarHBondContact SG-CE1 3.27Å; C555-H568 PolarHBondContact SG-NE2 2.96Å; Y559-H568 HydrophobicContact CE2-CB 4.14Å; Y559-H568 AromaticContact CE2-CG 3.98Å; Y559-H568 AromaticContact CE2-ND1 3.6Å; Y559-H568 AromaticContact CZ-ND1 3.46Å; Y559-H568 PolarHBondContact OH-ND1 2.68Å; G564-H568 PolarHBondContact O-N 2.98Å; H568-C570 WeakPolarHBondContact NE2-CA 3.16Å
569	M	47.2	Very low	50.9	Low	160 Å²	160	106.7 Å²	106.7	79%	0.788	56%	0.563	S	S	*	*			trans	-99.5	105	169.1	-69.7	-76.1	86.4	0	0	109.6	S567 P571	S567-M569 PolarHBondContact O-N 3.18Å; M569-P571 WeakPolarHBondContact O-CD 3.16Å
570	C	53.6	Low	49.6	Very low	22 Å²	22	109.4 Å²	109.4	15%	0.149	59%	0.589	C	S	.	*			trans	-71.1	123.8	179.6	-173.6	0	0	0	0	110.8	D554 H568 R572 R573	D554-C570 HydrophobicContact CB-CB 4.09Å; H568-C570 WeakPolarHBondContact NE2-CA 3.16Å; C570-R572 PolarHBondContact O-N 2.95Å; C570-R573 PolarHBondContact O-N 3Å
571	P	47.4	Very low	48.4	Very low	113 Å²	113	112.5 Å²	112.5	73%	0.734	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-59.9	-19.4	-177	-27.7	36.3	0	0	0	115.3	M569 R573 G574	M569-P571 WeakPolarHBondContact O-CD 3.16Å; P571-R573 PolarHBondContact O-N 3.14Å; P571-G574 PolarHBondContact O-N 3.1Å; P571-G574 VanDerWaalsContact O-N 3.09Å
572	R	48.8	Very low	46.8	Very low	221 Å²	221	117.6 Å²	117.6	83%	0.834	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-72.3	4.2	-175	-49.9	-153.1	82.3	179.9	8.4	115	C570	C570-R572 PolarHBondContact O-N 2.95Å
573	R	46.4	Very low	45.6	Very low	230 Å²	230	122.1 Å²	122.1	87%	0.868	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-102.4	5.6	169.1	-91.7	-179.4	168.2	-95	-3.5	114.5	C570 P571	C570-R573 PolarHBondContact O-N 3Å; P571-R573 PolarHBondContact O-N 3.14Å
574	G	40.8	Very low	44.2	Very low	67 Å²	67	125.9 Å²	125.9	69%	0.691	65%	0.645	S	S	*	*	S	Bend	trans	-98.5	4.8	-176.4	0	0	0	0	0	117.5	P571	P571-G574 PolarHBondContact O-N 3.1Å; P571-G574 VanDerWaalsContact O-N 3.09Å
575	Q	40.9	Very low	42.7	Very low	187 Å²	187	132.6 Å²	132.6	87%	0.874	67%	0.672	S	S	*	*			trans	-138.9	96.9	-178.6	-81	-172.1	-18.2	0	0	113.8
576	Q	38.2	Very low	41.2	Very low	143 Å²	143	135.6 Å²	135.6	67%	0.668	70%	0.696	S	S	*	*			trans	-166.9	139.8	135.2	-111	175.4	-2.2	0	0	108.9
577	Q	34.5	Very low	40	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	71%	0.71	S	S	*	*			trans	74.2	127.2	-158.6	-49.9	173.9	49.6	0	0	111.8
578	Q	31.1	Very low	38.8	Very low	173 Å²	173	141 Å²	141	81%	0.808	72%	0.719	S	S	*	*			cis	-123.2	-143.4	4.9	-64.5	-177.1	-8.9	0	0	112.5
579	P	37	Very low	37.2	Very low	109 Å²	109	144 Å²	144	71%	0.708	74%	0.744	S	S	*	*				-110	176.3	-110.5	34	-15.8	0	0	0	114.4
580	P	36.6	Very low	36.3	Very low	122 Å²	122	144.1 Å²	144.1	79%	0.792	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-88.5	151.4	-170.5	34.9	-35.8	0	0	0	114.7
581	P	34.3	Very low	35.1	Very low	121 Å²	121	146.8 Å²	146.8	79%	0.786	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-93.1	152.4	164.6	36.2	-32	0	0	0	112.4
582	Q	30.7	Very low	34.1	Very low	180 Å²	180	149.9 Å²	149.9	84%	0.841	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-87.5	159.4	158.5	-69.6	176.4	-66.2	0	0	110
583	Q	32.7	Very low	33.4	Very low	179 Å²	179	147.3 Å²	147.3	84%	0.836	78%	0.781	S	S	*	*			trans	17.5	130.6	156.9	-62.3	171.3	-16.5	0	0	117.8
584	Q	30.6	Very low	32.4	Very low	157 Å²	157	140.1 Å²	140.1	73%	0.734	78%	0.779	S	S	*	*				-176	135	75.3	-179	163	-13.8	0	0	113.8
585	Q	30	Very low	31.7	Very low	158 Å²	158	144.1 Å²	144.1	74%	0.738	78%	0.784	S	S	*	*			trans	56.8	126.6	152.2	-70	163.9	-19.8	0	0	124.8
586	S	29.5	Very low	31.2	Very low	102 Å²	102	142.4 Å²	142.4	71%	0.713	78%	0.778	S	S	*	*			trans	82.2	118.4	132.7	61.3	0	0	0	0	124.7
587	N	31.2	Very low	30.6	Very low	133 Å²	133	142.7 Å²	142.7	71%	0.711	78%	0.784	S	S	*	*			trans	71.9	118	130.9	-65.8	2.5	0	0	0	124.5
588	M	28.8	Very low	30.3	Very low	168 Å²	168	142.7 Å²	142.7	83%	0.828	78%	0.778	S	S	*	*				56.9	147.6	120	-59.7	174.9	-174.5	0	0	121.1
589	S	30.1	Very low	30.1	Very low	97 Å²	97	142 Å²	142	68%	0.678	77%	0.774	S	S	*	*			cis	-175.3	153.1	-13.3	52	0	0	0	0	112.5
590	N	28.7	Very low	29.4	Very low	162 Å²	162	141.2 Å²	141.2	87%	0.866	77%	0.772	S	S	*	*			trans	59	123.5	152.5	-70.8	-2.4	0	0	0	124.3
591	G	28.8	Very low	28.9	Very low	79 Å²	79	140.4 Å²	140.4	81%	0.814	77%	0.769	S	S	*	*			trans	84.7	168.9	131.3	0	0	0	0	0	120.5
592	F	26.7	Very low	28.5	Very low	178 Å²	178	140.5 Å²	140.5	78%	0.781	77%	0.772	S	S	*	*			cis	-171.1	136.9	-21.3	-177.2	-113.3	0	0	0	111.7
593	M	33.2	Very low	28.4	Very low	167 Å²	167	135.3 Å²	135.3	82%	0.823	77%	0.767	S	S	*	*			trans	55.3	149.8	165.9	-79.1	-168.3	174.9	0	0	122.3
594	G	26.4	Very low	28	Very low	79 Å²	79	133.2 Å²	133.2	81%	0.814	77%	0.767	S	S	*	*			trans	162.3	102.9	165.2	0	0	0	0	0	115.9
595	N	26.9	Very low	27.7	Very low	150 Å²	150	130.3 Å²	130.3	80%	0.802	76%	0.764	S	S	*	*			trans	-95.5	170.5	165.4	-129	6.5	0	0	0	107.7
596	M	29.4	Very low	27.7	Very low	151 Å²	151	130.5 Å²	130.5	74%	0.744	77%	0.768	S	S	*	*			cis	-169.2	179.1	17.4	-148.8	164.9	-178.3	0	0	109.7
597	N	25.3	Very low	28.3	Very low	150 Å²	150	130.8 Å²	130.8	80%	0.802	77%	0.767	S	S	*	*			trans	135.7	172.5	130.7	-149.6	25.3	0	0	0	117
598	Y	27.6	Very low	28.1	Very low	181 Å²	181	130.3 Å²	130.3	71%	0.71	78%	0.775	S	S	*	*			trans	-128.1	172.5	-151	-102	-102.3	0	0	0	115.8
599	H	27.4	Very low	28	Very low	158 Å²	158	126.1 Å²	126.1	73%	0.731	77%	0.774	S	S	*	*			trans	82.5	112.7	150.9	-73.2	-54.1	0	0	0	123.7
600	S	22.9	Very low	27.9	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	78%	0.782	S	S	*	*				55.8	115.4	115.2	-51.3	0	0	0	0	124.3
601	S	26.7	Very low	28.1	Very low	105 Å²	105	124.7 Å²	124.7	73%	0.734	78%	0.777	S	S	*	*				71.7	124.2	126.4	62.7	0	0	0	0	125
602	S	26.2	Very low	28.3	Very low	123 Å²	123	125.9 Å²	125.9	86%	0.86	77%	0.773	S	S	*	*			trans	71.1	131.1	139	56.1	0	0	0	0	122.8
603	G	27.3	Very low	28.5	Very low	71 Å²	71	122.2 Å²	122.2	73%	0.732	77%	0.769	S	S	*	*			trans	171.1	100.5	165.3	0	0	0	0	0	118.2
604	T	24.9	Very low	28.4	Very low	135 Å²	135	121 Å²	121	83%	0.828	77%	0.765	S	S	*	*			trans	37.5	104.3	141.3	44	0	0	0	0	124.5
605	S	24.5	Very low	28.6	Very low	96 Å²	96	124.9 Å²	124.9	67%	0.671	76%	0.759	S	S	*	*				53.5	120	114.2	67.5	0	0	0	0	125.7
606	I	29.4	Very low	28.6	Very low	162 Å²	162	125.3 Å²	125.3	83%	0.831	76%	0.756	S	S	*	*				66.7	156.4	122.8	-70.9	175.5	0	0	0	118.8
607	P	42.6	Very low	28.5	Very low	107 Å²	107	121 Å²	121	70%	0.695	75%	0.751	S	S	*	*			cis	-127.3	171.3	1.9	33.8	-15.5	0	0	0	117.3
608	S	26.7	Very low	28.6	Very low	124 Å²	124	119.4 Å²	119.4	87%	0.867	75%	0.751	S	S	*	*				147.6	142.9	121.3	-66.7	0	0	0	0	114.7
609	G	25.7	Very low	28.6	Very low	79 Å²	79	116.2 Å²	116.2	81%	0.814	76%	0.755	S	S	*	*			trans	127.2	88	163.2	0	0	0	0	0	117.3
610	S	28.7	Very low	28.7	Very low	122 Å²	122	118.2 Å²	118.2	85%	0.853	77%	0.765	S	S	*	*			trans	-43.1	149.3	163.1	47.1	0	0	0	0	115
611	S	32.9	Very low	29	Very low	108 Å²	108	122.6 Å²	122.6	76%	0.755	77%	0.767	S	S	*	*			cis	-167.8	-166.5	-2.3	64.4	0	0	0	0	108.6
612	S	32.2	Very low	29.5	Very low	103 Å²	103	123.2 Å²	123.2	72%	0.72	77%	0.769	S	S	*	*			cis	-148.6	-111.2	7.1	16.5	0	0	0	0	114.3
613	S	31.4	Very low	29.5	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	77%	0.768	S	S	*	*			trans	-159.3	162.9	-132.1	-61.7	0	0	0	0	113.5
614	I	32.3	Very low	29.5	Very low	141 Å²	141	128 Å²	128	72%	0.723	76%	0.76	S	S	*	*			cis	-154.2	142.1	-2.4	-117.2	163.4	0	0	0	106.6
615	K	28.9	Very low	29.9	Very low	160 Å²	160	130.5 Å²	130.5	70%	0.696	76%	0.762	S	S	*	*				47.5	152.5	92.7	-73.6	173.9	153.3	-136.9	0	115.2
616	E	27.1	Very low	30	Very low	160 Å²	160	131.3 Å²	131.3	75%	0.748	77%	0.768	S	S	*	*			cis	-155.5	-176.8	5.7	-118.7	148.6	-162.2	0	0	106.7
617	G	27.8	Very low	29.9	Very low	61 Å²	61	127.5 Å²	127.5	63%	0.629	77%	0.768	S	S	*	*			cis	165.3	157.3	-1.7	0	0	0	0	0	111.7
618	S	27.3	Very low	29.3	Very low	116 Å²	116	125.6 Å²	125.6	81%	0.811	77%	0.768	S	S	*	*			trans	63.5	102.4	156	-60.8	0	0	0	0	124
619	S	28.1	Very low	29.4	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	77%	0.768	S	S	*	*				63	139.3	112.2	-56.7	0	0	0	0	125.7
620	Q	29.6	Very low	29.7	Very low	200 Å²	200	136 Å²	136	94%	0.935	77%	0.769	S	S	*	*			trans	101.7	162	156.2	-54.3	-147.4	12.1	0	0	120
621	R	27.9	Very low	29.7	Very low	186 Å²	186	139.3 Å²	139.3	70%	0.702	77%	0.774	S	S	*	*			trans	-93	-179.3	-166.5	-63.8	179.7	168.7	-170.1	-2.8	111	N678	R621-N678 PolarHBondContact NH2-OD1 3Å
622	P	38.4	Very low	29.4	Very low	119 Å²	119	137.6 Å²	137.6	77%	0.773	77%	0.773	S	S	*	*			cis	-149.2	-175.4	14.4	47.3	-26.6	0	0	0	119.3
623	Y	25	Very low	29.9	Very low	215 Å²	215	138.2 Å²	138.2	84%	0.843	78%	0.777	S	S	*	*			trans	53.7	112.8	145.8	-122.9	-122.9	0	0	0	124.5
624	S	28.2	Very low	30.5	Very low	80 Å²	80	140.3 Å²	140.3	56%	0.559	78%	0.78	S	S	*	*				71.8	127.6	126.9	73.7	0	0	0	0	125.2
625	Q	32.9	Very low	30.7	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	78%	0.777	S	S	*	*			trans	72.1	150.5	135	-80.2	-175.1	15.9	0	0	120
626	S	27.5	Very low	31.4	Very low	113 Å²	113	139.3 Å²	139.3	79%	0.79	78%	0.777	S	S	*	*			cis	-158.9	165.8	0.7	49.7	0	0	0	0	114.2
627	G	26.8	Very low	32.1	Very low	82 Å²	82	138 Å²	138	85%	0.845	77%	0.774	S	S	*	*			trans	108.1	132.2	155.1	0	0	0	0	0	117
628	G	28.9	Very low	32.4	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	79%	0.785	S	S	*	*			cis	160.5	157.6	-15.5	0	0	0	0	0	115.2
629	K	30.1	Very low	33.5	Very low	197 Å²	197	145.3 Å²	145.3	86%	0.857	79%	0.79	S	S	*	*			trans	73.9	151.7	172.7	-51.4	164.4	-172.5	171.6	0	114.9
630	R	31	Very low	33.8	Very low	224 Å²	224	147.1 Å²	147.1	85%	0.845	79%	0.791	S	S	*	*			cis	-157.3	138.5	-18.7	-104	176.6	-175.6	-161	1.2	106.6
631	M	29.4	Very low	34.3	Very low	192 Å²	192	144.5 Å²	144.5	95%	0.946	78%	0.783	S	S	*	*				64.5	119.5	90.8	-129.7	88.9	173.4	0	0	115.8
632	G	27.1	Very low	35.6	Very low	72 Å²	72	138.8 Å²	138.8	74%	0.742	78%	0.782	S	S	*	*			trans	174.9	133.1	172.1	0	0	0	0	0	114.4
633	S	42.2	Very low	36.2	Very low	115 Å²	115	140 Å²	140	80%	0.804	78%	0.778	S	S	*	*			trans	-169.7	154.5	-172.2	-42.7	0	0	0	0	109.3
634	N	44.2	Very low	37.9	Very low	146 Å²	146	133.7 Å²	133.7	78%	0.781	76%	0.761	S	S	*	*			cis	-164.7	142.5	-11.8	-134.3	106.8	0	0	0	109.5
635	D	35.8	Very low	39.5	Very low	122 Å²	122	133.5 Å²	133.5	65%	0.652	75%	0.749	S	S	*	*			trans	-150.5	145.2	170	-100.1	-57	0	0	0	113.1
636	K	44.4	Very low	40.6	Very low	159 Å²	159	129.5 Å²	129.5	69%	0.691	73%	0.73	S	S	*	*			trans	14.8	158.6	133.7	-55.5	-169.4	-160.5	87.3	0	121.8
637	D	41.2	Very low	42.6	Very low	131 Å²	131	124.2 Å²	124.2	70%	0.701	69%	0.693	S	S	*	*			cis	-165.2	175.4	-19.2	-96.7	-28.1	0	0	0	107.8
638	D	35.2	Very low	44	Very low	158 Å²	158	125.9 Å²	125.9	85%	0.845	69%	0.692	S	S	*	*			trans	72.9	136.8	175.2	-65.1	-54.9	0	0	0	117.6
639	D	50.4	Low	45.4	Very low	174 Å²	174	126.9 Å²	126.9	93%	0.93	68%	0.684	S	S	*	*			trans	-103.9	132.8	-161.8	-75.3	-83.1	0	0	0	113.3
640	D	34.3	Very low	46.9	Very low	151 Å²	151	120.2 Å²	120.2	81%	0.807	66%	0.662	S	S	*	*			trans	-132.2	156.1	-163.5	-167.3	31.9	0	0	0	115.8
641	D	38.9	Very low	48.2	Very low	144 Å²	144	111.2 Å²	111.2	77%	0.77	64%	0.639	S	S	*	*			trans	23.7	165.1	165.2	-112.7	-19.5	0	0	0	126.5	E643	D641-E643 PolarHBondContact O-N 2.96Å
642	G	55.7	Low	49.9	Very low	66 Å²	66	106.3 Å²	106.3	68%	0.68	62%	0.617	S	S	*	*			trans	-83.4	76.1	-173.4	0	0	0	0	0	116.3
643	E	50.3	Low	52	Low	144 Å²	144	108.5 Å²	108.5	67%	0.673	61%	0.607	S	S	*	*			trans	-62.8	136	179.3	-69.4	-161	130.6	0	0	115.8	D641 Y645	D641-E643 PolarHBondContact O-N 2.96Å; E643-Y645 HydrophobicContact CB-CE1 4.4Å
644	V	61.8	Low	53.4	Low	83 Å²	83	105.8 Å²	105.8	50%	0.503	58%	0.58	S	S	.	*			trans	-102	99.5	173	-164	0	0	0	0	110.7	Q646 H653	V644-Q646 PolarHBondContact O-N 2.67Å; V644-H653 HydrophobicContact CG1-CB 3.86Å
645	Y	61.7	Low	54.5	Low	77 Å²	77	103.3 Å²	103.3	30%	0.302	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-62.9	112.4	-169.6	-53	-77.7	0	0	0	114.8	E643 Y654 S656 L657	E643-Y645 HydrophobicContact CB-CE1 4.4Å; Y645-Y654 WeakPolarHBondContact CB-O 3.2Å; Y645-Y654 WeakPolarHBondContact CD2-O 3.38Å; Y645-Y654 PolarHBondContact N-O 3.34Å; Y645-Y654 PolarHBondContact O-N 3Å; Y645-S656 VanDerWaalsContact CD2-C 3.42Å; Y645-L657 HydrophobicContact CD1-CD1 4.35Å; Y645-L657 HydrophobicContact CD1-CD2 4.12Å; Y645-L657 HydrophobicContact CD1-CG 3.78Å; Y645-L657 HydrophobicContact CD2-CG 4.16Å; Y645-L657 VanDerWaalsContact CD2-N 3.29Å; Y645-L657 HydrophobicContact CE1-CD1 3.81Å; Y645-L657 HydrophobicContact CE1-CD2 4.41Å; Y645-L657 HydrophobicContact CE1-CG 3.72Å; Y645-L657 HydrophobicContact CE2-CD1 4.5Å; Y645-L657 HydrophobicContact CE2-CG 4.08Å; Y645-L657 HydrophobicContact CG-CD2 4.46Å; Y645-L657 HydrophobicContact CG-CG 4Å
646	Q	56.6	Low	56.2	Low	103 Å²	103	99.9 Å²	99.9	48%	0.481	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.2	150.1	178.5	-156.2	-176.2	25.2	0	0	113.6	V644 G651 N652 H653 L660	V644-Q646 PolarHBondContact O-N 2.67Å; Q646-G651 VanDerWaalsContact CG-O 3.32Å; Q646-G651 WeakPolarHBondContact CG-O 3.24Å; Q646-G651 PolarHBondContact NE2-O 3.02Å; Q646-N652 CarbonylContact C-O 3.55Å; Q646-N652 WeakPolarHBondContact CA-O 3.14Å; Q646-H653 PolarHBondContact NE2-CE1 3.36Å; Q646-H653 PolarHBondContact NE2-NE2 3.27Å; Q646-L660 WeakPolarHBondContact O-CD2 3.49Å
647	C	68.1	Low	56.9	Low	1 Å²	1	95.4 Å²	95.4	1%	0.007	55%	0.548	C	S	.	.			trans	-89.4	115.8	167	-175.7	0	0	0	0	112	V649 C650 G651 N652 Y654 L660 H663	C647-V649 PolarHBondContact O-N 3.04Å; C647-C650 PolarHBondContact O-N 3.44Å; C647-G651 WeakPolarHBondContact O-CA 3.34Å; C647-G651 PolarHBondContact O-N 3.42Å; C647-N652 PolarHBondContact N-O 2.96Å; C647-Y654 HydrophobicContact CB-CE2 4.12Å; C647-L660 HydrophobicContact CB-CD1 3.66Å; C647-H663 VanDerWaalsContact CB-CD2 3.47Å; C647-H663 WeakPolarHBondContact CB-CD2 3.41Å; C647-H663 PolarHBondContact SG-CD2 3.46Å; C647-H663 PolarHBondContact SG-NE2 3.42Å
648	S	56.9	Low	58	Low	118 Å²	118	99.3 Å²	99.3	83%	0.825	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-0.7	177.9	50.4	0	0	0	0	115.7
649	V	57.5	Low	59.3	Low	87 Å²	87	93.7 Å²	93.7	53%	0.527	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-14.6	177.5	-161.3	0	0	0	0	112.8	C647 L664 H667	C647-V649 PolarHBondContact O-N 3.04Å; V649-L664 HydrophobicContact CG2-CD2 4.13Å; V649-H667 VanDerWaalsContact CG1-CE1 3.43Å; V649-H667 WeakPolarHBondContact CG1-CE1 3.38Å
650	C	63.3	Low	60.5	Low	58 Å²	58	86.2 Å²	86.2	39%	0.392	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.7	3	177.9	81.2	0	0	0	0	116.3	C647 N652 H663	C647-C650 PolarHBondContact O-N 3.44Å; C650-N652 VanDerWaalsContact C-N 3.29Å; C650-N652 PolarHBondContact O-N 2.99Å; C650-N652 PolarHBondContact SG-ND2 3.46Å; C650-H663 VanDerWaalsContact SG-CE1 3.52Å; C650-H663 PolarHBondContact SG-NE2 2.67Å
651	G	56.9	Low	62.1	Low	34 Å²	34	86.1 Å²	86.1	35%	0.351	48%	0.477	S	S	.	.			trans	77.8	-4.3	175.7	0	0	0	0	0	116.7	Q646 C647 H653	Q646-G651 VanDerWaalsContact CG-O 3.32Å; Q646-G651 WeakPolarHBondContact CG-O 3.24Å; Q646-G651 PolarHBondContact NE2-O 3.02Å; C647-G651 WeakPolarHBondContact O-CA 3.34Å; C647-G651 PolarHBondContact O-N 3.42Å; G651-H653 PolarHBondContact O-ND1 2.82Å
652	N	65.9	Low	63.3	Low	90 Å²	90	82.9 Å²	82.9	48%	0.481	47%	0.466	S	S	.	.			trans	-75.6	138.5	-178.1	-74	-43.7	0	0	0	113.3	Q646 C647 C650 Y654	Q646-N652 CarbonylContact C-O 3.55Å; Q646-N652 WeakPolarHBondContact CA-O 3.14Å; C647-N652 PolarHBondContact N-O 2.96Å; C650-N652 VanDerWaalsContact C-N 3.29Å; C650-N652 PolarHBondContact O-N 2.99Å; C650-N652 PolarHBondContact SG-ND2 3.46Å; N652-Y654 HydrophobicContact CB-CE2 3.9Å; N652-Y654 WeakPolarHBondContact O-CD2 3.41Å; N652-Y654 VanDerWaalsContact O-CE2 3.32Å; N652-Y654 WeakPolarHBondContact O-CE2 3.34Å
653	H	70.9	Confident	64.2	Low	117 Å²	117	81.7 Å²	81.7	54%	0.542	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.3	-177	-64.2	86.3	0	0	0	112.3	V644 Q646 G651	V644-H653 HydrophobicContact CG1-CB 3.86Å; Q646-H653 PolarHBondContact NE2-CE1 3.36Å; Q646-H653 PolarHBondContact NE2-NE2 3.27Å; G651-H653 PolarHBondContact O-ND1 2.82Å
654	Y	71.2	Confident	64.7	Low	58 Å²	58	78 Å²	78	23%	0.227	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.1	-175.3	-59.5	-82.2	0	0	0	112.8	Y645 C647 N652 S656 A659 L660 H663	Y645-Y654 WeakPolarHBondContact CB-O 3.2Å; Y645-Y654 WeakPolarHBondContact CD2-O 3.38Å; Y645-Y654 PolarHBondContact N-O 3.34Å; Y645-Y654 PolarHBondContact O-N 3Å; C647-Y654 HydrophobicContact CB-CE2 4.12Å; N652-Y654 HydrophobicContact CB-CE2 3.9Å; N652-Y654 WeakPolarHBondContact O-CD2 3.41Å; N652-Y654 VanDerWaalsContact O-CE2 3.32Å; N652-Y654 WeakPolarHBondContact O-CE2 3.34Å; Y654-S656 PolarHBondContact O-N 2.95Å; Y654-A659 HydrophobicContact CD1-CB 4.07Å; Y654-A659 HydrophobicContact CG-CB 4.28Å; Y654-L660 HydrophobicContact CD2-CB 4.35Å; Y654-L660 HydrophobicContact CD2-CD1 4.26Å; Y654-H663 HydrophobicContact CE2-CB 4.37Å; Y654-H663 AromaticContact CE2-CD2 3.63Å; Y654-H663 AromaticContact CZ-CD2 3.84Å; Y654-H663 AromaticContact CZ-CG 3.87Å; Y654-H663 PolarHBondContact OH-CD2 3Å; Y654-H663 PolarHBondContact OH-ND1 3.37Å
655	A	68.1	Low	64.7	Low	95 Å²	95	81.7 Å²	81.7	79%	0.785	43%	0.431	S	S	*	.	S	Bend	trans	-67.4	15.5	179.1	0	0	0	0	0	116
656	S	70.6	Confident	64.2	Low	49 Å²	49	81.9 Å²	81.9	34%	0.343	44%	0.444	S	S	.	.	S	Bend	trans	-162	147.5	162	70.5	0	0	0	0	113.9	Y645 Y654 R658 A659 L660	Y645-S656 VanDerWaalsContact CD2-C 3.42Å; Y654-S656 PolarHBondContact O-N 2.95Å; S656-R658 PolarHBondContact O-N 3.02Å; S656-R658 PolarHBondContact OG-N 3.47Å; S656-A659 PolarHBondContact O-N 3.05Å; S656-A659 PolarHBondContact OG-N 2.83Å; S656-L660 PolarHBondContact O-N 3.39Å
657	L	60	Low	64.4	Low	66 Å²	66	81.2 Å²	81.2	35%	0.346	44%	0.441	S	S	.	.	H	α-helix	trans	-54.2	-13.9	166.1	-83.8	162.3	0	0	0	114.8	Y645 R661	Y645-L657 HydrophobicContact CD1-CD1 4.35Å; Y645-L657 HydrophobicContact CD1-CD2 4.12Å; Y645-L657 HydrophobicContact CD1-CG 3.78Å; Y645-L657 HydrophobicContact CD2-CG 4.16Å; Y645-L657 VanDerWaalsContact CD2-N 3.29Å; Y645-L657 HydrophobicContact CE1-CD1 3.81Å; Y645-L657 HydrophobicContact CE1-CD2 4.41Å; Y645-L657 HydrophobicContact CE1-CG 3.72Å; Y645-L657 HydrophobicContact CE2-CD1 4.5Å; Y645-L657 HydrophobicContact CE2-CG 4.08Å; Y645-L657 HydrophobicContact CG-CD2 4.46Å; Y645-L657 HydrophobicContact CG-CG 4Å; L657-R661 VanDerWaalsContact O-CB 3.28Å; L657-R661 WeakPolarHBondContact O-CB 3.49Å; L657-R661 VanDerWaalsContact O-CD 3.28Å; L657-R661 WeakPolarHBondContact O-CD 3.12Å; L657-R661 WeakPolarHBondContact O-CG 3.39Å; L657-R661 PolarHBondContact O-N 3.06Å
658	R	64	Low	63.6	Low	213 Å²	213	84.6 Å²	84.6	80%	0.804	47%	0.469	S	S	*	.	H	α-helix	trans	-82.2	-37.8	173.9	-176.7	172.4	-70.7	164.7	2.7	112	S656 S662	S656-R658 PolarHBondContact O-N 3.02Å; S656-R658 PolarHBondContact OG-N 3.47Å; R658-S662 PolarHBondContact O-N 3.27Å
659	A	62.7	Low	63	Low	39 Å²	39	86 Å²	86	32%	0.322	47%	0.467	S	S	.	.	H	α-helix	trans	-69.1	-48.9	174.7	0	0	0	0	0	110.8	Y654 S656 R661 S662 H663	Y654-A659 HydrophobicContact CD1-CB 4.07Å; Y654-A659 HydrophobicContact CG-CB 4.28Å; S656-A659 PolarHBondContact O-N 3.05Å; S656-A659 PolarHBondContact OG-N 2.83Å; A659-R661 VanDerWaalsContact C-N 3.33Å; A659-R661 PolarHBondContact O-N 3.38Å; A659-S662 WeakPolarHBondContact O-CA 3.18Å; A659-S662 VanDerWaalsContact O-CB 3.28Å; A659-S662 WeakPolarHBondContact O-CB 3.27Å; A659-S662 PolarHBondContact O-N 3.23Å; A659-H663 PolarHBondContact O-N 3.36Å
660	L	75.2	Confident	62.2	Low	17 Å²	17	88 Å²	88	9%	0.089	48%	0.475	C	S	.	.	H	α-helix	trans	-56.1	-44.3	175.8	176.4	57.8	0	0	0	112.2	Q646 C647 Y654 S656 S662 H663 L664	Q646-L660 WeakPolarHBondContact O-CD2 3.49Å; C647-L660 HydrophobicContact CB-CD1 3.66Å; Y654-L660 HydrophobicContact CD2-CB 4.35Å; Y654-L660 HydrophobicContact CD2-CD1 4.26Å; S656-L660 PolarHBondContact O-N 3.39Å; L660-S662 PolarHBondContact O-N 3.43Å; L660-H663 PolarHBondContact O-N 3.4Å; L660-L664 HydrophobicContact CD1-CD1 3.9Å; L660-L664 HydrophobicContact CD1-CG 3.92Å; L660-L664 HydrophobicContact CG-CD1 3.92Å; L660-L664 HydrophobicContact CG-CG 4.39Å; L660-L664 WeakPolarHBondContact O-CB 3.09Å; L660-L664 WeakPolarHBondContact O-CG 3.42Å; L660-L664 PolarHBondContact O-N 3.22Å
661	R	67.9	Low	61	Low	150 Å²	150	91 Å²	91	57%	0.566	49%	0.494	S	S	*	.	H	α-helix	trans	-71.1	-7.8	174.7	-70.8	174.4	-177.5	138	-1.1	114.5	L657 A659 R665	L657-R661 VanDerWaalsContact O-CB 3.28Å; L657-R661 WeakPolarHBondContact O-CB 3.49Å; L657-R661 VanDerWaalsContact O-CD 3.28Å; L657-R661 WeakPolarHBondContact O-CD 3.12Å; L657-R661 WeakPolarHBondContact O-CG 3.39Å; L657-R661 PolarHBondContact O-N 3.06Å; A659-R661 VanDerWaalsContact C-N 3.33Å; A659-R661 PolarHBondContact O-N 3.38Å; R661-R665 VanDerWaalsContact O-CZ 3.26Å; R661-R665 PolarHBondContact O-NE 3.32Å; R661-R665 PolarHBondContact O-NH2 3.24Å
662	S	63.7	Low	59.8	Low	76 Å²	76	97.3 Å²	97.3	53%	0.531	52%	0.518	S	S	.	.	H	α-helix	trans	-86.7	-44.6	168	-154.2	0	0	0	0	110.4	R658 A659 L660 R665	R658-S662 PolarHBondContact O-N 3.27Å; A659-S662 WeakPolarHBondContact O-CA 3.18Å; A659-S662 VanDerWaalsContact O-CB 3.28Å; A659-S662 WeakPolarHBondContact O-CB 3.27Å; A659-S662 PolarHBondContact O-N 3.23Å; L660-S662 PolarHBondContact O-N 3.43Å; S662-R665 WeakPolarHBondContact O-CB 3.39Å; S662-R665 PolarHBondContact O-N 3.06Å
663	H	75.5	Confident	58	Low	40 Å²	40	96.5 Å²	96.5	19%	0.185	53%	0.531	C	S	.	.	H	α-helix	trans	-68.5	-38.7	178.6	172.4	64.8	0	0	0	113.3	C647 C650 Y654 A659 L660 R665 S666 H667	C647-H663 VanDerWaalsContact CB-CD2 3.47Å; C647-H663 WeakPolarHBondContact CB-CD2 3.41Å; C647-H663 PolarHBondContact SG-CD2 3.46Å; C647-H663 PolarHBondContact SG-NE2 3.42Å; C650-H663 VanDerWaalsContact SG-CE1 3.52Å; C650-H663 PolarHBondContact SG-NE2 2.67Å; Y654-H663 HydrophobicContact CE2-CB 4.37Å; Y654-H663 AromaticContact CE2-CD2 3.63Å; Y654-H663 AromaticContact CZ-CD2 3.84Å; Y654-H663 AromaticContact CZ-CG 3.87Å; Y654-H663 PolarHBondContact OH-CD2 3Å; Y654-H663 PolarHBondContact OH-ND1 3.37Å; A659-H663 PolarHBondContact O-N 3.36Å; L660-H663 PolarHBondContact O-N 3.4Å; H663-R665 PolarHBondContact O-N 3.37Å; H663-S666 PolarHBondContact O-N 3.33Å; H663-S666 VanDerWaalsContact O-N 3.08Å; H663-S666 PolarHBondContact O-OG 3.1Å; H663-H667 AromaticContact CE1-NE2 3.94Å; H663-H667 AromaticContact NE2-NE2 3.91Å
664	L	60.4	Low	56.1	Low	66 Å²	66	95.9 Å²	95.9	35%	0.346	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.9	171.8	-73.6	170.6	0	0	0	113.9	V649 L660	V649-L664 HydrophobicContact CG2-CD2 4.13Å; L660-L664 HydrophobicContact CD1-CD1 3.9Å; L660-L664 HydrophobicContact CD1-CG 3.92Å; L660-L664 HydrophobicContact CG-CD1 3.92Å; L660-L664 HydrophobicContact CG-CG 4.39Å; L660-L664 WeakPolarHBondContact O-CB 3.09Å; L660-L664 WeakPolarHBondContact O-CG 3.42Å; L660-L664 PolarHBondContact O-N 3.22Å
665	R	60.8	Low	54.1	Low	161 Å²	161	96.5 Å²	96.5	61%	0.608	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-15.6	174.3	-93.3	174.9	-72.8	168.4	3.7	114.5	R661 S662 H663 H667 A668	R661-R665 VanDerWaalsContact O-CZ 3.26Å; R661-R665 PolarHBondContact O-NE 3.32Å; R661-R665 PolarHBondContact O-NH2 3.24Å; S662-R665 WeakPolarHBondContact O-CB 3.39Å; S662-R665 PolarHBondContact O-N 3.06Å; H663-R665 PolarHBondContact O-N 3.37Å; R665-H667 VanDerWaalsContact C-N 3.31Å; R665-A668 PolarHBondContact O-N 3.12Å
666	S	52.4	Low	53.1	Low	81 Å²	81	98 Å²	98	57%	0.566	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-24.3	168.3	41.4	0	0	0	0	112.7	H663 A668	H663-S666 PolarHBondContact O-N 3.33Å; H663-S666 VanDerWaalsContact O-N 3.08Å; H663-S666 PolarHBondContact O-OG 3.1Å; S666-A668 VanDerWaalsContact C-N 3.31Å
667	H	59.6	Low	51.1	Low	89 Å²	89	100.8 Å²	100.8	41%	0.412	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-17.1	172.7	-64.9	-75.1	0	0	0	113.8	V649 H663 R665	V649-H667 VanDerWaalsContact CG1-CE1 3.43Å; V649-H667 WeakPolarHBondContact CG1-CE1 3.38Å; H663-H667 AromaticContact CE1-NE2 3.94Å; H663-H667 AromaticContact NE2-NE2 3.91Å; R665-H667 VanDerWaalsContact C-N 3.31Å
668	A	52.2	Low	50.1	Low	73 Å²	73	103 Å²	103	60%	0.603	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	0.9	-176.1	0	0	0	0	0	114.5	R665 S666	R665-A668 PolarHBondContact O-N 3.12Å; S666-A668 VanDerWaalsContact C-N 3.31Å
669	N	43.8	Very low	48.6	Very low	147 Å²	147	99.7 Å²	99.7	79%	0.786	60%	0.601	S	S	*	*	S	Bend	trans	-119.3	36.2	-167.7	-99	18	0	0	0	113.6
670	N	40.3	Very low	47.6	Very low	130 Å²	130	103.9 Å²	103.9	70%	0.695	62%	0.618	S	S	*	*			trans	-148.6	130.4	163.6	-141.9	-11.7	0	0	0	107.8
671	P	39.6	Very low	45.9	Very low	121 Å²	121	111.2 Å²	111.2	79%	0.786	65%	0.652	S	S	*	*				-145.7	147.6	92.6	37.5	-21.9	0	0	0	115.8
672	I	30.5	Very low	44.5	Very low	166 Å²	166	109 Å²	109	85%	0.851	65%	0.651	S	S	*	*			trans	-81.5	142.8	145.1	-60.5	169.8	0	0	0	106.4
673	G	29.6	Very low	43.3	Very low	73 Å²	73	117 Å²	117	75%	0.753	67%	0.669	S	S	*	*			trans	-160.5	-177.6	-172	0	0	0	0	0	117
674	A	29.9	Very low	42.2	Very low	103 Å²	103	123 Å²	123	85%	0.851	69%	0.691	S	S	*	*			trans	-156.1	156.5	171.5	0	0	0	0	0	109.6
675	G	29.5	Very low	42.4	Very low	72 Å²	72	124.1 Å²	124.1	74%	0.742	70%	0.695	S	S	*	*			trans	-102.8	-162.7	171.7	0	0	0	0	0	112.1
676	P	47.7	Very low	42.1	Very low	126 Å²	126	121.7 Å²	121.7	82%	0.818	69%	0.693	S	S	*	*			cis	-115.8	-175.7	3.4	39.4	-23	0	0	0	112.1
677	S	28.2	Very low	42.8	Very low	108 Å²	108	117.9 Å²	117.9	76%	0.755	67%	0.667	S	S	*	*			cis	-157.8	147.7	30.2	-60.1	0	0	0	0	114.6
678	N	39.9	Very low	42.6	Very low	111 Å²	111	119.2 Å²	119.2	59%	0.594	69%	0.686	S	S	*	*			trans	14	111	153.8	-167.7	-94.7	0	0	0	121.5	R621	R621-N678 PolarHBondContact NH2-OD1 3Å
679	L	31	Very low	42.7	Very low	145 Å²	145	120.2 Å²	120.2	76%	0.759	69%	0.685	S	S	*	*			trans	-155.5	131.5	140.8	-172.5	62.6	0	0	0	111.6
680	D	42.5	Very low	43.7	Very low	127 Å²	127	116 Å²	116	68%	0.679	67%	0.666	S	S	*	*			trans	-85.6	137.3	176.1	-70	-81.7	0	0	0	113.4
681	Q	39.6	Very low	44.6	Very low	170 Å²	170	112.4 Å²	112.4	79%	0.794	66%	0.659	S	S	*	*			trans	169.7	155.6	153.6	-98.7	158.3	72.3	0	0	110.7
682	D	37.4	Very low	46	Very low	103 Å²	103	111.9 Å²	111.9	55%	0.551	65%	0.647	S	S	*	*			cis	-163	134.4	-33.1	-136.7	-17.9	0	0	0	108.9	R684	D682-R684 PolarHBondContact O-N 2.72Å
683	W	39.7	Very low	47.4	Very low	244 Å²	244	107.1 Å²	107.1	92%	0.924	63%	0.628	S	S	*	*			trans	-92.4	93.9	175.4	-77.1	73.2	0	0	0	110.1	M685	W683-M685 PolarHBondContact O-N 2.69Å
684	R	52.2	Low	48.8	Very low	168 Å²	168	105.4 Å²	105.4	63%	0.634	60%	0.6	S	S	*	*			trans	-58	129.2	179.9	-66.6	-178.5	-179.5	-112.7	-2.6	111.7	D682	D682-R684 PolarHBondContact O-N 2.72Å
685	M	63.8	Low	50.1	Low	89 Å²	89	102.9 Å²	102.9	44%	0.438	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	131.6	-173.8	-69.4	-95	-75.5	0	0	110.5	W683 F694 K697 L700	W683-M685 PolarHBondContact O-N 2.69Å; M685-F694 PolarHBondContact N-O 3.47Å; M685-F694 PolarHBondContact O-N 2.6Å; M685-K697 HydrophobicContact CE-CG 4.46Å; M685-L700 HydrophobicContact CB-CD2 3.57Å; M685-L700 HydrophobicContact CE-CD2 4.23Å
686	I	54.7	Low	52	Low	110 Å²	110	107.6 Å²	107.6	56%	0.564	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.1	134.2	-168.6	-57.5	178.5	0	0	0	111.2	S688 G691 Q692	I686-S688 PolarHBondContact O-N 2.85Å; I686-G691 WeakPolarHBondContact CG2-O 3.42Å; I686-Q692 WeakPolarHBondContact CA-O 3.48Å
687	C	67.9	Low	52.5	Low	1 Å²	1	108.6 Å²	108.6	1%	0.007	56%	0.563	C	S	.	*			trans	-71	121.1	172.7	-179.7	0	0	0	0	110.9	T689 C690 G691 Q692 F694 L700	C687-T689 PolarHBondContact O-N 3.38Å; C687-C690 VanDerWaalsContact CB-SG 3.53Å; C687-G691 WeakPolarHBondContact O-CA 3.42Å; C687-G691 PolarHBondContact O-N 2.86Å; C687-Q692 PolarHBondContact N-O 3.42Å; C687-F694 HydrophobicContact CB-CD2 4.47Å; C687-F694 HydrophobicContact CB-CE2 3.9Å; C687-L700 HydrophobicContact CB-CD1 3.62Å
688	S	54	Low	54.2	Low	116 Å²	116	109.4 Å²	109.4	81%	0.811	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-5.2	-177.8	35.5	0	0	0	0	114.8	I686	I686-S688 PolarHBondContact O-N 2.85Å
689	T	54.5	Low	55.3	Low	95 Å²	95	107.2 Å²	107.2	58%	0.583	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-33.3	176.7	-39.9	0	0	0	0	112.7	C687	C687-T689 PolarHBondContact O-N 3.38Å
690	C	64.5	Low	57.1	Low	58 Å²	58	100.9 Å²	100.9	39%	0.392	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-8.2	-171.9	69.8	0	0	0	0	115.1	C687 Q692 H703	C687-C690 VanDerWaalsContact CB-SG 3.53Å; C690-Q692 VanDerWaalsContact C-N 3.3Å; C690-Q692 PolarHBondContact O-N 2.79Å; C690-H703 PolarHBondContact SG-NE2 2.86Å
691	G	59.7	Low	58.1	Low	54 Å²	54	98.8 Å²	98.8	56%	0.557	50%	0.498	S	S	*	.			trans	78.3	-2.9	179.6	0	0	0	0	0	116.3	I686 C687	I686-G691 WeakPolarHBondContact CG2-O 3.42Å; C687-G691 WeakPolarHBondContact O-CA 3.42Å; C687-G691 PolarHBondContact O-N 2.86Å
692	Q	69.1	Low	59.1	Low	111 Å²	111	94.6 Å²	94.6	52%	0.519	48%	0.481	S	S	.	.			trans	-69.4	141.9	179	-68	-175.2	-10.8	0	0	112.4	I686 C687 C690 F694 H703	I686-Q692 WeakPolarHBondContact CA-O 3.48Å; C687-Q692 PolarHBondContact N-O 3.42Å; C690-Q692 VanDerWaalsContact C-N 3.3Å; C690-Q692 PolarHBondContact O-N 2.79Å; Q692-F694 HydrophobicContact CB-CE2 3.66Å; Q692-F694 HydrophobicContact CB-CZ 3.81Å; Q692-F694 WeakPolarHBondContact O-CD2 3.45Å; Q692-F694 WeakPolarHBondContact O-CE2 3.32Å; Q692-H703 PolarHBondContact OE1-CE1 3.03Å
693	S	60.5	Low	60.6	Low	65 Å²	65	91.4 Å²	91.4	46%	0.455	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.1	-178.6	72.8	0	0	0	0	112
694	F	57.6	Low	61.5	Low	38 Å²	38	83.7 Å²	83.7	17%	0.167	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.7	-177.6	-59.9	-90	0	0	0	109.6	M685 C687 Q692 D699 L700 H703	M685-F694 PolarHBondContact N-O 3.47Å; M685-F694 PolarHBondContact O-N 2.6Å; C687-F694 HydrophobicContact CB-CD2 4.47Å; C687-F694 HydrophobicContact CB-CE2 3.9Å; Q692-F694 HydrophobicContact CB-CE2 3.66Å; Q692-F694 HydrophobicContact CB-CZ 3.81Å; Q692-F694 WeakPolarHBondContact O-CD2 3.45Å; Q692-F694 WeakPolarHBondContact O-CE2 3.32Å; F694-D699 HydrophobicContact CD1-CB 4.21Å; F694-L700 HydrophobicContact CB-CB 4.15Å; F694-L700 HydrophobicContact CD2-CB 4.26Å; F694-L700 HydrophobicContact CD2-CD1 3.98Å; F694-L700 HydrophobicContact CE2-CD1 4.4Å; F694-L700 HydrophobicContact CG-CB 4.3Å; F694-H703 HydrophobicContact CE1-CB 4.17Å; F694-H703 HydrophobicContact CE2-CB 4.38Å; F694-H703 AromaticContact CE2-CD2 3.89Å; F694-H703 HydrophobicContact CZ-CB 3.88Å; F694-H703 AromaticContact CZ-CD2 3.69Å; F694-H703 AromaticContact CZ-CE1 3.83Å; F694-H703 AromaticContact CZ-CG 3.44Å; F694-H703 VanDerWaalsContact CZ-CG 3.44Å; F694-H703 AromaticContact CZ-ND1 3.55Å; F694-H703 AromaticContact CZ-NE2 3.92Å
695	S	57.3	Low	61.8	Low	50 Å²	50	81.9 Å²	81.9	35%	0.35	44%	0.439	S	S	.	.	S	Bend	trans	-75.8	-33.5	174.8	43.7	0	0	0	0	112.2
696	R	70.9	Confident	61.5	Low	171 Å²	171	83.8 Å²	83.8	65%	0.645	45%	0.45	S	S	*	.	S	Bend	trans	-107.7	136.9	-178.5	-43.5	-177	-176.2	-157	0.4	111.7	Q698 D699 L700	R696-Q698 PolarHBondContact O-N 2.97Å; R696-D699 WeakPolarHBondContact CB-OD2 3.42Å; R696-D699 WeakPolarHBondContact CD-OD2 3.46Å; R696-D699 WeakPolarHBondContact CG-OD2 3.26Å; R696-D699 PolarHBondContact O-N 3.35Å; R696-L700 PolarHBondContact O-N 2.77Å
697	K	58	Low	61.6	Low	147 Å²	147	83.1 Å²	83.1	64%	0.639	44%	0.444	S	S	*	.	H	α-helix	trans	-60.5	-32.4	176.5	-174.3	-179.4	175.6	-171.8	0	112.9	M685 L701	M685-K697 HydrophobicContact CE-CG 4.46Å; K697-L701 HydrophobicContact CG-CD1 4.27Å; K697-L701 VanDerWaalsContact O-CD1 3.25Å; K697-L701 WeakPolarHBondContact O-CD1 3.41Å; K697-L701 PolarHBondContact O-N 3.04Å; K697-L701 VanDerWaalsContact O-N 3.14Å
698	Q	63	Low	60.6	Low	125 Å²	125	85.1 Å²	85.1	58%	0.584	47%	0.465	S	S	*	.	H	α-helix	trans	-69.3	-42.1	179	-159	69	6.4	0	0	111.8	R696 L700 L701 N702	R696-Q698 PolarHBondContact O-N 2.97Å; Q698-L700 VanDerWaalsContact C-N 3.3Å; Q698-L700 PolarHBondContact O-N 2.97Å; Q698-L701 WeakPolarHBondContact O-CA 3.48Å; Q698-L701 WeakPolarHBondContact O-CB 3.25Å; Q698-L701 PolarHBondContact O-N 3.09Å; Q698-N702 PolarHBondContact O-N 3.24Å
699	D	63	Low	59.8	Low	65 Å²	65	85.9 Å²	85.9	35%	0.348	47%	0.467	S	S	.	.	H	α-helix	trans	-64.7	-37.6	177.8	-55.4	-27.7	0	0	0	110.9	F694 R696 L701 N702 H703	F694-D699 HydrophobicContact CD1-CB 4.21Å; R696-D699 WeakPolarHBondContact CB-OD2 3.42Å; R696-D699 WeakPolarHBondContact CD-OD2 3.46Å; R696-D699 WeakPolarHBondContact CG-OD2 3.26Å; R696-D699 PolarHBondContact O-N 3.35Å; D699-L701 VanDerWaalsContact C-N 3.33Å; D699-L701 PolarHBondContact O-N 2.86Å; D699-N702 PolarHBondContact O-N 3.31Å; D699-H703 VanDerWaalsContact O-CB 3.24Å; D699-H703 WeakPolarHBondContact O-CB 3.4Å; D699-H703 PolarHBondContact O-N 3.37Å
700	L	70.4	Confident	58.7	Low	12 Å²	12	90.1 Å²	90.1	6%	0.063	48%	0.48	C	S	.	.	H	α-helix	trans	-64.2	-31.8	171.2	173.6	59.1	0	0	0	113.1	M685 C687 F694 R696 Q698 Q704	M685-L700 HydrophobicContact CB-CD2 3.57Å; M685-L700 HydrophobicContact CE-CD2 4.23Å; C687-L700 HydrophobicContact CB-CD1 3.62Å; F694-L700 HydrophobicContact CB-CB 4.15Å; F694-L700 HydrophobicContact CD2-CB 4.26Å; F694-L700 HydrophobicContact CD2-CD1 3.98Å; F694-L700 HydrophobicContact CE2-CD1 4.4Å; F694-L700 HydrophobicContact CG-CB 4.3Å; R696-L700 PolarHBondContact O-N 2.77Å; Q698-L700 VanDerWaalsContact C-N 3.3Å; Q698-L700 PolarHBondContact O-N 2.97Å; L700-Q704 WeakPolarHBondContact O-CG 3.49Å; L700-Q704 PolarHBondContact O-N 2.77Å; L700-Q704 PolarHBondContact O-NE2 3.49Å
701	L	62.2	Low	57.4	Low	82 Å²	82	97.9 Å²	97.9	43%	0.429	50%	0.501	S	S	.	.	H	α-helix	trans	-74.4	-43.9	172.6	-96.8	76.4	0	0	0	111.4	K697 Q698 D699 H703 Q704 L705	K697-L701 HydrophobicContact CG-CD1 4.27Å; K697-L701 VanDerWaalsContact O-CD1 3.25Å; K697-L701 WeakPolarHBondContact O-CD1 3.41Å; K697-L701 PolarHBondContact O-N 3.04Å; K697-L701 VanDerWaalsContact O-N 3.14Å; Q698-L701 WeakPolarHBondContact O-CA 3.48Å; Q698-L701 WeakPolarHBondContact O-CB 3.25Å; Q698-L701 PolarHBondContact O-N 3.09Å; D699-L701 VanDerWaalsContact C-N 3.33Å; D699-L701 PolarHBondContact O-N 2.86Å; L701-H703 VanDerWaalsContact C-N 3.31Å; L701-H703 PolarHBondContact O-N 2.86Å; L701-Q704 PolarHBondContact O-N 3.13Å; L701-Q704 VanDerWaalsContact O-N 3.11Å; L701-L705 PolarHBondContact O-N 3.49Å
702	N	60	Low	56.3	Low	83 Å²	83	100.4 Å²	100.4	44%	0.444	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-41.2	176.5	-68.7	-9.7	0	0	0	111.3	Q698 D699 Q704 L705 I706	Q698-N702 PolarHBondContact O-N 3.24Å; D699-N702 PolarHBondContact O-N 3.31Å; N702-Q704 VanDerWaalsContact C-N 3.34Å; N702-Q704 PolarHBondContact O-N 2.97Å; N702-L705 WeakPolarHBondContact O-CB 3.39Å; N702-L705 PolarHBondContact O-N 3.47Å; N702-I706 PolarHBondContact O-N 3.35Å
703	H	69	Low	54.6	Low	35 Å²	35	103 Å²	103	16%	0.162	53%	0.525	C	S	.	.	H	α-helix	trans	-67.3	-31.8	174.5	-173.8	88.1	0	0	0	112.8	C690 Q692 F694 D699 L701 L705 I706	C690-H703 PolarHBondContact SG-NE2 2.86Å; Q692-H703 PolarHBondContact OE1-CE1 3.03Å; F694-H703 HydrophobicContact CE1-CB 4.17Å; F694-H703 HydrophobicContact CE2-CB 4.38Å; F694-H703 AromaticContact CE2-CD2 3.89Å; F694-H703 HydrophobicContact CZ-CB 3.88Å; F694-H703 AromaticContact CZ-CD2 3.69Å; F694-H703 AromaticContact CZ-CE1 3.83Å; F694-H703 AromaticContact CZ-CG 3.44Å; F694-H703 VanDerWaalsContact CZ-CG 3.44Å; F694-H703 AromaticContact CZ-ND1 3.55Å; F694-H703 AromaticContact CZ-NE2 3.92Å; D699-H703 VanDerWaalsContact O-CB 3.24Å; D699-H703 WeakPolarHBondContact O-CB 3.4Å; D699-H703 PolarHBondContact O-N 3.37Å; L701-H703 VanDerWaalsContact C-N 3.31Å; L701-H703 PolarHBondContact O-N 2.86Å; H703-L705 VanDerWaalsContact C-N 3.34Å; H703-I706 WeakPolarHBondContact O-CB 3.5Å; H703-I706 PolarHBondContact O-N 3.26Å
704	Q	58.8	Low	53.2	Low	82 Å²	82	103.2 Å²	103.2	38%	0.383	54%	0.538	S	S	.	.	H	α-helix	trans	-71	-26.8	171.8	-81.2	169.2	97.4	0	0	113.2	L700 L701 N702 I706 H707	L700-Q704 WeakPolarHBondContact O-CG 3.49Å; L700-Q704 PolarHBondContact O-N 2.77Å; L700-Q704 PolarHBondContact O-NE2 3.49Å; L701-Q704 PolarHBondContact O-N 3.13Å; L701-Q704 VanDerWaalsContact O-N 3.11Å; N702-Q704 VanDerWaalsContact C-N 3.34Å; N702-Q704 PolarHBondContact O-N 2.97Å; Q704-I706 VanDerWaalsContact C-N 3.26Å; Q704-I706 PolarHBondContact O-N 3.38Å; Q704-H707 PolarHBondContact O-N 3.44Å
705	L	59.8	Low	52	Low	131 Å²	131	109.9 Å²	109.9	69%	0.686	57%	0.569	S	S	*	*	H	α-helix	trans	-68.4	-24.2	173.6	-74.5	162.5	0	0	0	112.7	L701 N702 H703 H707 G708	L701-L705 PolarHBondContact O-N 3.49Å; N702-L705 WeakPolarHBondContact O-CB 3.39Å; N702-L705 PolarHBondContact O-N 3.47Å; H703-L705 VanDerWaalsContact C-N 3.34Å; L705-H707 PolarHBondContact O-N 3.35Å; L705-G708 PolarHBondContact O-N 2.89Å; L705-G708 VanDerWaalsContact O-N 3.09Å
706	I	56.7	Low	50.8	Low	128 Å²	128	114.3 Å²	114.3	66%	0.656	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-21.3	173.8	-57.4	174.2	0	0	0	111.7	N702 H703 Q704 G708	N702-I706 PolarHBondContact O-N 3.35Å; H703-I706 WeakPolarHBondContact O-CB 3.5Å; H703-I706 PolarHBondContact O-N 3.26Å; Q704-I706 VanDerWaalsContact C-N 3.26Å; Q704-I706 PolarHBondContact O-N 3.38Å; I706-G708 VanDerWaalsContact C-N 3.28Å; I706-G708 PolarHBondContact O-N 3.1Å
707	H	57.6	Low	48.9	Very low	97 Å²	97	115.2 Å²	115.2	45%	0.449	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.8	15.2	173.9	-60.9	-57.4	0	0	0	113.9	Q704 L705	Q704-H707 PolarHBondContact O-N 3.44Å; L705-H707 PolarHBondContact O-N 3.35Å
708	G	45.2	Very low	47.4	Very low	43 Å²	43	111.4 Å²	111.4	44%	0.443	60%	0.599	S	S	.	*	S	Bend	trans	-71.2	147.6	174.4	0	0	0	0	0	113.2	L705 I706 Q710	L705-G708 PolarHBondContact O-N 2.89Å; L705-G708 VanDerWaalsContact O-N 3.09Å; I706-G708 VanDerWaalsContact C-N 3.28Å; I706-G708 PolarHBondContact O-N 3.1Å; G708-Q710 PolarHBondContact O-N 3.16Å
709	P	38.7	Very low	45.9	Very low	131 Å²	131	113.3 Å²	113.3	85%	0.851	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-74.9	121.9	176.4	30.4	-33.1	0	0	0	110.8
710	Q	31.5	Very low	44.2	Very low	185 Å²	185	116.7 Å²	116.7	86%	0.864	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-72.5	144.8	173.4	-83	-68	9.4	0	0	112.4	G708	G708-Q710 PolarHBondContact O-N 3.16Å
711	R	36.6	Very low	42.1	Very low	221 Å²	221	119.6 Å²	119.6	83%	0.834	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-102.8	151.1	164.4	-67.7	174.4	62.9	-175.9	-1.8	108.2
712	P	37.5	Very low	40.3	Very low	106 Å²	106	119.2 Å²	119.2	69%	0.688	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-77.9	160.6	174.4	33.9	-36.1	0	0	0	112.9
713	D	32.7	Very low	38.8	Very low	165 Å²	165	121.3 Å²	121.3	88%	0.882	71%	0.705	S	S	*	*			trans	75.2	129	159.4	-53.1	-46.9	0	0	0	121.2
714	G	30.7	Very low	36.9	Very low	70 Å²	70	123.4 Å²	123.4	72%	0.722	73%	0.728	S	S	*	*			trans	143.3	59.1	153.2	0	0	0	0	0	121.4
715	Q	33.2	Very low	35.6	Very low	179 Å²	179	127.6 Å²	127.6	84%	0.836	75%	0.753	S	S	*	*			trans	60.3	156.1	150.8	-74.4	171.2	-89.5	0	0	119.6
716	Q	30.9	Very low	34	Very low	143 Å²	143	124.7 Å²	124.7	67%	0.668	75%	0.754	S	S	*	*			cis	-169.4	158.9	-13.3	169	163.8	16.6	0	0	109.6
717	Q	30.5	Very low	32.6	Very low	189 Å²	189	124.6 Å²	124.6	88%	0.883	77%	0.765	S	S	*	*			trans	68.2	142.5	-179.6	-65.6	154.2	26.7	0	0	116.5
718	G	28.4	Very low	31.3	Very low	68 Å²	68	127.9 Å²	127.9	70%	0.701	79%	0.786	S	S	*	*			cis	164.8	143.7	-13	0	0	0	0	0	113.2
719	I	30.6	Very low	30.7	Very low	165 Å²	165	135.3 Å²	135.3	85%	0.846	81%	0.806	S	S	*	*			trans	68.8	139	170.7	-65.6	171	0	0	0	114.7
720	T	26.7	Very low	30.5	Very low	135 Å²	135	138.1 Å²	138.1	83%	0.828	81%	0.81	S	S	*	*			cis	-160	168.2	-20.9	29.4	0	0	0	0	106.9
721	G	25.8	Very low	30.6	Very low	73 Å²	73	136.5 Å²	136.5	75%	0.753	81%	0.807	S	S	*	*			cis	157	141.4	-2.5	0	0	0	0	0	111.7
722	G	26.1	Very low	30.6	Very low	75 Å²	75	129.4 Å²	129.4	77%	0.773	80%	0.803	S	S	*	*			trans	80.6	145.9	-178.5	0	0	0	0	0	114.8
723	S	28.1	Very low	31.1	Very low	127 Å²	127	133.8 Å²	133.8	89%	0.888	81%	0.806	S	S	*	*			cis	166.8	146.5	-6.9	-97.3	0	0	0	0	104.7
724	A	29.7	Very low	31.8	Very low	79 Å²	79	131.5 Å²	131.5	65%	0.653	79%	0.794	S	S	*	*			cis	-161.4	165.3	-4.2	0	0	0	0	0	111.6
725	N	30.2	Very low	33	Very low	170 Å²	170	131 Å²	131	91%	0.909	77%	0.772	S	S	*	*			trans	63	138	156.5	-59.7	-13.2	0	0	0	121.2
726	G	26.6	Very low	34.4	Very low	69 Å²	69	126.5 Å²	126.5	71%	0.711	75%	0.753	S	S	*	*			trans	168.9	5.7	167.8	0	0	0	0	0	123.9
727	S	27.9	Very low	36	Very low	126 Å²	126	120.4 Å²	120.4	88%	0.881	73%	0.726	S	S	*	*			trans	47.8	115	171	61.5	0	0	0	0	119.8
728	D	29.6	Very low	37.1	Very low	166 Å²	166	118.1 Å²	118.1	89%	0.888	73%	0.725	S	S	*	*			trans	-101.2	166.4	178.4	-137.7	-36.8	0	0	0	114.2
729	K	33.7	Very low	37.9	Very low	200 Å²	200	119.5 Å²	119.5	87%	0.87	72%	0.717	S	S	*	*			trans	-112.3	157.9	-171.6	-88.7	-178.5	175.8	175.7	0	115.1
730	M	33.7	Very low	39.3	Very low	189 Å²	189	114.3 Å²	114.3	93%	0.931	69%	0.694	S	S	*	*			trans	-66.4	145.4	-175.3	-73	-80	-172.6	0	0	115.3
731	D	33.8	Very low	40.9	Very low	151 Å²	151	109.9 Å²	109.9	81%	0.807	68%	0.676	S	S	*	*			trans	-62.8	147.7	166.1	-96.4	-71.1	0	0	0	113.3
732	G	35.7	Very low	42.7	Very low	73 Å²	73	111.4 Å²	111.4	75%	0.753	66%	0.664	S	S	*	*			trans	-123.1	116	172.1	0	0	0	0	0	113
733	R	48.6	Very low	44.4	Very low	198 Å²	198	114.5 Å²	114.5	75%	0.747	66%	0.657	S	S	*	*			trans	-123.5	113.7	171.3	-68.6	-174.8	-174	167.9	6.4	110.6	H735	R733-H735 PolarHBondContact O-CD2 3.28Å
734	N	46.9	Very low	45.9	Very low	117 Å²	117	110 Å²	110	63%	0.626	62%	0.621	S	S	*	*			trans	-77.5	131.8	176.8	-66.9	-57.7	0	0	0	111.5
735	H	56.8	Low	47.1	Very low	58 Å²	58	110.3 Å²	110.3	27%	0.269	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	150.9	176.7	-65.8	-102.6	0	0	0	110.5	R733 F743 F744 Q747 L750	R733-H735 PolarHBondContact O-CD2 3.28Å; H735-F743 CarbonylContact O-C 3.5Å; H735-F743 WeakPolarHBondContact O-CA 3.26Å; H735-F744 PolarHBondContact N-O 2.81Å; H735-F744 PolarHBondContact O-N 3.24Å; H735-Q747 PolarHBondContact CE1-OE1 3.28Å; H735-L750 HydrophobicContact CB-CD2 3.92Å
736	I	61.8	Low	48.3	Very low	85 Å²	85	106 Å²	106	44%	0.436	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.9	130.9	-172	-49.1	175.3	0	0	0	110.8	V738 M742 F743	I736-V738 PolarHBondContact O-N 2.83Å; I736-M742 WeakPolarHBondContact CA-O 2.98Å; I736-F743 HydrophobicContact CD1-CD1 3.9Å; I736-F743 HydrophobicContact CD1-CE1 3.39Å; I736-F743 HydrophobicContact CD1-CZ 3.76Å; I736-F743 HydrophobicContact CG1-CD1 3.7Å; I736-F743 HydrophobicContact CG1-CE1 3.76Å; I736-F743 HydrophobicContact CG1-CG 4.21Å; I736-F743 HydrophobicContact CG1-CZ 4.31Å
737	C	64.4	Low	49.6	Very low	15 Å²	15	108.2 Å²	108.2	10%	0.101	59%	0.593	C	S	.	*			trans	-76.7	119	174.6	-173.7	0	0	0	0	111.4	D739 C740 G741 M742 F744 L750	C737-D739 VanDerWaalsContact C-N 3.3Å; C737-D739 PolarHBondContact O-N 3.41Å; C737-C740 VanDerWaalsContact CB-SG 3.55Å; C737-C740 VanDerWaalsContact SG-SG 3.63Å; C737-G741 VanDerWaalsContact O-CA 3.27Å; C737-G741 WeakPolarHBondContact O-CA 3.37Å; C737-G741 PolarHBondContact O-N 3.36Å; C737-M742 PolarHBondContact N-O 2.61Å; C737-F744 HydrophobicContact CB-CE2 4.1Å; C737-L750 VanDerWaalsContact CA-CD1 3.47Å; C737-L750 HydrophobicContact CB-CD1 3.48Å; C737-L750 VanDerWaalsContact CB-CD1 3.48Å
738	V	53.4	Low	50.7	Low	141 Å²	141	108.8 Å²	108.8	86%	0.855	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-30	-177.2	-178.6	0	0	0	0	112.7	I736	I736-V738 PolarHBondContact O-N 2.83Å
739	D	46.9	Very low	51.8	Low	98 Å²	98	106.4 Å²	106.4	52%	0.524	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-27.3	-175.2	-73.7	-19.2	0	0	0	114	C737 K758	C737-D739 VanDerWaalsContact C-N 3.3Å; C737-D739 PolarHBondContact O-N 3.41Å; D739-K758 IonicContact OD2-NZ 3.15Å; D739-K758 PolarHBondContact OD2-NZ 3.32Å
740	C	59.2	Low	53.3	Low	55 Å²	55	99 Å²	99	37%	0.372	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-17.1	-180	68.5	0	0	0	0	115.2	C737 H753	C737-C740 VanDerWaalsContact CB-SG 3.55Å; C737-C740 VanDerWaalsContact SG-SG 3.63Å; C740-H753 VanDerWaalsContact SG-CE1 3.5Å
741	G	60.6	Low	54.4	Low	43 Å²	43	95.3 Å²	95.3	44%	0.443	52%	0.522	S	S	.	.			trans	81.2	5.2	-179.3	0	0	0	0	0	115.7	C737	C737-G741 VanDerWaalsContact O-CA 3.27Å; C737-G741 WeakPolarHBondContact O-CA 3.37Å; C737-G741 PolarHBondContact O-N 3.36Å
742	M	63.7	Low	55.4	Low	105 Å²	105	92.3 Å²	92.3	52%	0.517	51%	0.509	S	S	.	.			trans	-73.8	146.5	176.3	-68.5	-175.4	70.5	0	0	112.2	I736 C737 F744	I736-M742 WeakPolarHBondContact CA-O 2.98Å; C737-M742 PolarHBondContact N-O 2.61Å; M742-F744 HydrophobicContact CB-CE2 3.79Å; M742-F744 HydrophobicContact CB-CZ 3.93Å
743	F	61.7	Low	57	Low	139 Å²	139	91.3 Å²	91.3	61%	0.61	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.2	178.5	-69	-112.2	0	0	0	109.6	H735 I736	H735-F743 CarbonylContact O-C 3.5Å; H735-F743 WeakPolarHBondContact O-CA 3.26Å; I736-F743 HydrophobicContact CD1-CD1 3.9Å; I736-F743 HydrophobicContact CD1-CE1 3.39Å; I736-F743 HydrophobicContact CD1-CZ 3.76Å; I736-F743 HydrophobicContact CG1-CD1 3.7Å; I736-F743 HydrophobicContact CG1-CE1 3.76Å; I736-F743 HydrophobicContact CG1-CG 4.21Å; I736-F743 HydrophobicContact CG1-CZ 4.31Å
744	F	58.3	Low	57.2	Low	34 Å²	34	89.7 Å²	89.7	15%	0.149	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.6	176.5	-62	-82.4	0	0	0	109	H735 C737 M742 D746 H749 L750 H753	H735-F744 PolarHBondContact N-O 2.81Å; H735-F744 PolarHBondContact O-N 3.24Å; C737-F744 HydrophobicContact CB-CE2 4.1Å; M742-F744 HydrophobicContact CB-CE2 3.79Å; M742-F744 HydrophobicContact CB-CZ 3.93Å; F744-D746 PolarHBondContact O-N 3.15Å; F744-H749 HydrophobicContact CB-CB 4.3Å; F744-H749 HydrophobicContact CD1-CB 3.97Å; F744-H749 HydrophobicContact CG-CB 4.4Å; F744-L750 HydrophobicContact CB-CB 4.47Å; F744-L750 HydrophobicContact CD2-CB 4.23Å; F744-L750 HydrophobicContact CD2-CD1 4.15Å; F744-L750 HydrophobicContact CE2-CD1 4.43Å; F744-H753 HydrophobicContact CE1-CB 4.45Å; F744-H753 HydrophobicContact CE2-CB 4.41Å; F744-H753 HydrophobicContact CZ-CB 3.98Å; F744-H753 AromaticContact CZ-CD2 3.49Å; F744-H753 VanDerWaalsContact CZ-CD2 3.49Å; F744-H753 WeakPolarHBondContact CZ-CD2 3.49Å; F744-H753 AromaticContact CZ-CG 3.72Å
745	A	54.8	Low	57.7	Low	85 Å²	85	85.5 Å²	85.5	70%	0.702	47%	0.47	S	S	*	.	S	Bend	trans	-68.8	-18	-178.9	0	0	0	0	0	113.4
746	D	56.7	Low	57.2	Low	80 Å²	80	88.7 Å²	88.7	43%	0.428	50%	0.495	S	S	.	.	S	Bend	trans	-143	148.6	-177	179.7	23.8	0	0	0	111.1	F744 H748 H749	F744-D746 PolarHBondContact O-N 3.15Å; D746-H748 VanDerWaalsContact C-N 3.28Å; D746-H748 PolarHBondContact O-N 3.39Å; D746-H749 PolarHBondContact O-N 3.48Å
747	Q	53.2	Low	56.6	Low	115 Å²	115	88.4 Å²	88.4	54%	0.537	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-29	-178.5	-173.2	168.4	-39.8	0	0	112.5	H735 L750 V751	H735-Q747 PolarHBondContact CE1-OE1 3.28Å; Q747-L750 PolarHBondContact O-N 3.43Å; Q747-V751 WeakPolarHBondContact O-CG2 3.43Å; Q747-V751 PolarHBondContact O-N 3.43Å
748	H	51.9	Low	55.4	Low	138 Å²	138	94.7 Å²	94.7	64%	0.639	54%	0.539	S	S	*	.	H	α-helix	trans	-65.8	-40.2	179.7	-138.7	102.7	0	0	0	112.3	D746 L750 V751 T752	D746-H748 VanDerWaalsContact C-N 3.28Å; D746-H748 PolarHBondContact O-N 3.39Å; H748-L750 VanDerWaalsContact C-N 3.33Å; H748-L750 PolarHBondContact O-N 2.77Å; H748-V751 PolarHBondContact O-N 2.9Å; H748-V751 VanDerWaalsContact O-N 3.13Å; H748-T752 PolarHBondContact O-N 3.15Å; H748-T752 VanDerWaalsContact O-N 3.17Å; H748-T752 PolarHBondContact O-OG1 2.77Å
749	H	52.7	Low	54.5	Low	115 Å²	115	95.2 Å²	95.2	53%	0.532	54%	0.537	S	S	.	.	H	α-helix	trans	-69.3	-29.3	176.5	-71.6	97.6	0	0	0	113.2	F744 D746 V751 T752 H753	F744-H749 HydrophobicContact CB-CB 4.3Å; F744-H749 HydrophobicContact CD1-CB 3.97Å; F744-H749 HydrophobicContact CG-CB 4.4Å; D746-H749 PolarHBondContact O-N 3.48Å; H749-V751 VanDerWaalsContact C-N 3.3Å; H749-T752 PolarHBondContact O-OG1 3.32Å; H749-H753 WeakPolarHBondContact O-CB 3.16Å; H749-H753 PolarHBondContact O-N 2.99Å
750	L	63.7	Low	54	Low	46 Å²	46	102.5 Å²	102.5	24%	0.241	56%	0.557	C	S	.	*	H	α-helix	trans	-68	-30.1	171	173.3	59.8	0	0	0	112.2	H735 C737 F744 Q747 H748	H735-L750 HydrophobicContact CB-CD2 3.92Å; C737-L750 VanDerWaalsContact CA-CD1 3.47Å; C737-L750 HydrophobicContact CB-CD1 3.48Å; C737-L750 VanDerWaalsContact CB-CD1 3.48Å; F744-L750 HydrophobicContact CB-CB 4.47Å; F744-L750 HydrophobicContact CD2-CB 4.23Å; F744-L750 HydrophobicContact CD2-CD1 4.15Å; F744-L750 HydrophobicContact CE2-CD1 4.43Å; Q747-L750 PolarHBondContact O-N 3.43Å; H748-L750 VanDerWaalsContact C-N 3.33Å; H748-L750 PolarHBondContact O-N 2.77Å
751	V	56.7	Low	52.6	Low	111 Å²	111	103 Å²	103	67%	0.673	57%	0.571	S	S	*	*	H	α-helix	trans	-79.4	-33.7	179.4	171.4	0	0	0	0	112.2	Q747 H748 H749	Q747-V751 WeakPolarHBondContact O-CG2 3.43Å; Q747-V751 PolarHBondContact O-N 3.43Å; H748-V751 PolarHBondContact O-N 2.9Å; H748-V751 VanDerWaalsContact O-N 3.13Å; H749-V751 VanDerWaalsContact C-N 3.3Å
752	T	56.3	Low	51.1	Low	87 Å²	87	109.1 Å²	109.1	53%	0.534	59%	0.591	S	S	.	*	H	α-helix	trans	-85.9	-11.5	178.8	54	0	0	0	0	114.4	H748 H749 L754	H748-T752 PolarHBondContact O-N 3.15Å; H748-T752 VanDerWaalsContact O-N 3.17Å; H748-T752 PolarHBondContact O-OG1 2.77Å; H749-T752 PolarHBondContact O-OG1 3.32Å; T752-L754 PolarHBondContact O-N 3.37Å; T752-L754 VanDerWaalsContact O-N 3.08Å
753	H	67.8	Low	49.6	Very low	53 Å²	53	110.9 Å²	110.9	25%	0.245	60%	0.602	C	S	.	*			trans	-69.1	102.1	-179.8	171.6	-85.9	0	0	0	113.3	C740 F744 H749 C755	C740-H753 VanDerWaalsContact SG-CE1 3.5Å; F744-H753 HydrophobicContact CE1-CB 4.45Å; F744-H753 HydrophobicContact CE2-CB 4.41Å; F744-H753 HydrophobicContact CZ-CB 3.98Å; F744-H753 AromaticContact CZ-CD2 3.49Å; F744-H753 VanDerWaalsContact CZ-CD2 3.49Å; F744-H753 WeakPolarHBondContact CZ-CD2 3.49Å; F744-H753 AromaticContact CZ-CG 3.72Å; H749-H753 WeakPolarHBondContact O-CB 3.16Å; H749-H753 PolarHBondContact O-N 2.99Å; H753-C755 PolarHBondContact O-N 3.26Å
754	L	53	Low	48	Very low	163 Å²	163	114.6 Å²	114.6	85%	0.853	62%	0.618	S	S	*	*			trans	-76.2	97	173.4	-74.5	165.8	0	0	0	111.7	T752 P756	T752-L754 PolarHBondContact O-N 3.37Å; T752-L754 VanDerWaalsContact O-N 3.08Å; L754-P756 WeakPolarHBondContact O-CD 3.41Å
755	C	58.1	Low	46.7	Very low	30 Å²	30	118.7 Å²	118.7	20%	0.203	65%	0.651	C	S	.	*			trans	-67.8	123.2	178.6	-174	0	0	0	0	112.2	H753 G757 K758	H753-C755 PolarHBondContact O-N 3.26Å; C755-G757 PolarHBondContact O-N 3.43Å; C755-K758 PolarHBondContact O-N 3.47Å
756	P	46.9	Very low	45.4	Very low	124 Å²	124	118.1 Å²	118.1	81%	0.805	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-59.2	-23	-174.9	-28.2	35.8	0	0	0	115.9	L754 K758	L754-P756 WeakPolarHBondContact O-CD 3.41Å; P756-K758 VanDerWaalsContact C-N 3.32Å; P756-K758 PolarHBondContact O-N 2.94Å
757	G	48.1	Very low	44.2	Very low	79 Å²	79	122 Å²	122	81%	0.814	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-80.9	3.9	-174.2	0	0	0	0	0	116.5	C755	C755-G757 PolarHBondContact O-N 3.43Å
758	K	40.6	Very low	43	Very low	148 Å²	148	123.6 Å²	123.6	64%	0.643	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-119.5	6.6	-164.9	-142.9	169.5	-172.6	171.3	0	116.2	D739 C755 P756	D739-K758 IonicContact OD2-NZ 3.15Å; D739-K758 PolarHBondContact OD2-NZ 3.32Å; C755-K758 PolarHBondContact O-N 3.47Å; P756-K758 VanDerWaalsContact C-N 3.32Å; P756-K758 PolarHBondContact O-N 2.94Å
759	N	33.5	Very low	41.8	Very low	151 Å²	151	121.2 Å²	121.2	81%	0.807	70%	0.698	S	S	*	*			trans	-109.6	82.9	-169.4	-141.9	3.9	0	0	0	113.9
760	R	36.8	Very low	40.7	Very low	252 Å²	252	119.8 Å²	119.8	95%	0.951	71%	0.714	S	S	*	*	S	Bend	trans	-153.6	97.5	155.8	-115	-177.3	-172.1	-149.4	0.2	111.2
761	G	30.4	Very low	39.2	Very low	65 Å²	65	128 Å²	128	67%	0.67	75%	0.748	S	S	*	*			trans	87.3	134.4	-178.3	0	0	0	0	0	113
762	M	29.3	Very low	37.8	Very low	172 Å²	172	125.9 Å²	125.9	85%	0.847	75%	0.749	S	S	*	*			cis	-145.9	151	-6.3	-50.2	171.7	65.8	0	0	106.3
763	N	30.5	Very low	36.4	Very low	142 Å²	142	130.1 Å²	130.1	76%	0.759	77%	0.765	S	S	*	*				-168.5	159.5	62.3	-89.8	-32.8	0	0	0	111
764	K	29.4	Very low	34.6	Very low	216 Å²	216	133.6 Å²	133.6	94%	0.939	80%	0.796	S	S	*	*			trans	-129.9	141.9	143.3	-103	-169.4	175.8	-174.9	0	107.7
765	S	30.8	Very low	33.4	Very low	120 Å²	120	129.7 Å²	129.7	84%	0.839	80%	0.795	S	S	*	*			trans	-114.1	131.7	-172.6	51.6	0	0	0	0	112.3
766	G	27.3	Very low	32.1	Very low	74 Å²	74	131.5 Å²	131.5	76%	0.763	82%	0.818	S	S	*	*			trans	87.4	117.2	162.5	0	0	0	0	0	116.2
767	L	31.1	Very low	31	Very low	160 Å²	160	135.5 Å²	135.5	84%	0.838	83%	0.826	S	S	*	*				-171.9	142.9	107.2	-95.6	166.4	0	0	0	111.7
768	N	28.8	Very low	30.1	Very low	150 Å²	150	134.8 Å²	134.8	80%	0.802	82%	0.819	S	S	*	*			trans	4.5	123.5	164.4	-57.5	-19.7	0	0	0	122.2
769	G	27.1	Very low	29.6	Very low	88 Å²	88	135.2 Å²	135.2	91%	0.907	83%	0.833	S	S	*	*				84.8	145.7	118	0	0	0	0	0	120.4
770	G	28.7	Very low	29.4	Very low	84 Å²	84	132.9 Å²	132.9	87%	0.866	84%	0.835	S	S	*	*			trans	143.8	127.6	165.7	0	0	0	0	0	115.4
771	K	31.5	Very low	28.9	Very low	218 Å²	218	124.6 Å²	124.6	95%	0.948	83%	0.828	S	S	*	*			trans	-83.7	161.4	178.9	-60.4	168.4	177.5	175	0	112.6
772	G	27.1	Very low	28.9	Very low	68 Å²	68	126 Å²	126	70%	0.701	83%	0.833	S	S	*	*			trans	136.4	102.9	162.3	0	0	0	0	0	111.9
773	M	28.5	Very low	28.9	Very low	175 Å²	175	124 Å²	124	86%	0.862	84%	0.836	S	S	*	*				83.8	121.8	55.3	-71.2	-177.3	61.9	0	0	114.8
774	S	29.9	Very low	28.9	Very low	127 Å²	127	121.3 Å²	121.3	89%	0.888	84%	0.842	S	S	*	*			trans	57.4	148.8	166.2	42.1	0	0	0	0	117.2
775	G	28.2	Very low	28.9	Very low	81 Å²	81	119.2 Å²	119.2	84%	0.835	84%	0.841	S	S	*	*			cis	176.1	170.3	-3.5	0	0	0	0	0	106.3
776	G	28.9	Very low	28.7	Very low	67 Å²	67	116.7 Å²	116.7	69%	0.691	83%	0.834	S	S	*	*			cis	164.4	135.9	-1.7	0	0	0	0	0	107.8
777	E	25.6	Very low	28.9	Very low	208 Å²	208	124.2 Å²	124.2	97%	0.972	84%	0.839	S	S	*	*			trans	64.3	160.8	171.4	-52.2	-174.8	104.2	0	0	116.7
778	G	28.6	Very low	29	Very low	64 Å²	64	127.4 Å²	127.4	66%	0.66	84%	0.84	S	S	*	*			cis	179.9	170.3	-9.1	0	0	0	0	0	114
779	V	30.1	Very low	29.4	Very low	157 Å²	157	126.2 Å²	126.2	95%	0.952	84%	0.84	S	S	*	*			trans	71.9	124	161.2	-165.9	0	0	0	0	120.3
780	A	28.3	Very low	29.9	Very low	102 Å²	102	130.4 Å²	130.4	84%	0.843	84%	0.839	S	S	*	*			trans	-83.7	170.3	-174	0	0	0	0	0	117.5
781	G	27	Very low	30.1	Very low	78 Å²	78	133 Å²	133	80%	0.804	84%	0.838	S	S	*	*			trans	122.1	147.7	151	0	0	0	0	0	115.6
782	A	30.3	Very low	30	Very low	94 Å²	94	128.3 Å²	128.3	78%	0.777	82%	0.823	S	S	*	*			cis	-163.7	148.2	-22	0	0	0	0	0	109.9
783	S	30.5	Very low	31	Very low	131 Å²	131	133 Å²	133	92%	0.916	83%	0.826	S	S	*	*			trans	39.8	118.4	156.6	-57	0	0	0	0	122.2
784	G	28.9	Very low	31.4	Very low	85 Å²	85	128 Å²	128	88%	0.876	81%	0.809	S	S	*	*			trans	-175.5	137.9	162.1	0	0	0	0	0	114
785	D	29.3	Very low	32.4	Very low	172 Å²	172	128.4 Å²	128.4	92%	0.92	80%	0.801	S	S	*	*			trans	-104.1	139.8	-175.4	-154.7	-33.4	0	0	0	111.4
786	G	28.1	Very low	33.7	Very low	67 Å²	67	128.6 Å²	128.6	69%	0.691	78%	0.779	S	S	*	*			trans	177.7	46.1	-166.8	0	0	0	0	0	122.8
787	R	30.6	Very low	35.3	Very low	232 Å²	232	129.5 Å²	129.5	88%	0.875	77%	0.773	S	S	*	*			trans	36.1	116.8	152.3	-58.9	-178.4	176.8	-149.2	-0.2	121.7
788	R	33.6	Very low	37.3	Very low	228 Å²	228	122.6 Å²	122.6	86%	0.86	74%	0.74	S	S	*	*			trans	76.4	159.6	141.7	-80.3	179	171.9	-124.2	-7.3	117.6
789	P	37.1	Very low	39.2	Very low	124 Å²	124	126.3 Å²	126.3	81%	0.805	74%	0.738	S	S	*	*			cis	-121	-161.5	25.5	43.9	-30.9	0	0	0	117.1
790	M	37.3	Very low	41.3	Very low	176 Å²	176	118.9 Å²	118.9	87%	0.867	69%	0.693	S	S	*	*			trans	-108.8	142.6	179	-86.6	-178.2	156.6	0	0	111.9
791	V	32.9	Very low	43.1	Very low	140 Å²	140	120 Å²	120	85%	0.848	69%	0.685	S	S	*	*			trans	-150.5	137.9	173.2	177.1	0	0	0	0	105.6
792	D	30	Very low	44.5	Very low	119 Å²	119	122.7 Å²	122.7	64%	0.636	68%	0.676	S	S	*	*			cis	-140.8	175.3	-8.3	175.4	-114.5	0	0	0	109.2	S794	D792-S794 WeakPolarHBondContact OD1-CB 3.37Å; D792-S794 PolarHBondContact OD1-N 3.46Å; D792-S794 PolarHBondContact OD1-OG 3.22Å
793	Q	47.3	Very low	46	Very low	165 Å²	165	120.5 Å²	120.5	77%	0.771	66%	0.655	S	S	*	*			trans	-134.1	42	172.7	-150.4	178.5	123.7	0	0	116.2
794	S	37.1	Very low	47.3	Very low	71 Å²	71	117.2 Å²	117.2	50%	0.497	64%	0.642	S	S	.	*			trans	-54.3	162.7	166.7	34	0	0	0	0	115.2	D792 K796	D792-S794 WeakPolarHBondContact OD1-CB 3.37Å; D792-S794 PolarHBondContact OD1-N 3.46Å; D792-S794 PolarHBondContact OD1-OG 3.22Å; S794-K796 PolarHBondContact O-NZ 3.34Å
795	D	51.3	Low	49.1	Very low	135 Å²	135	120.6 Å²	120.6	72%	0.722	63%	0.628	S	S	*	*			trans	52.1	77.7	173.3	-69.1	-53.5	0	0	0	119.4
796	K	54.1	Low	50.8	Low	86 Å²	86	114.1 Å²	114.1	37%	0.374	60%	0.601	S	S	.	*			trans	-139.6	95.2	144.3	-66.9	87.8	-148.9	151.6	0	108	S794 H798	S794-K796 PolarHBondContact O-NZ 3.34Å; K796-H798 PolarHBondContact O-N 2.81Å
797	P	63.8	Low	53.1	Low	86 Å²	86	113.6 Å²	113.6	56%	0.558	58%	0.579	S	S	*	*			trans	-69	-27.5	-168.9	22.2	-31.6	0	0	0	114.5	K799	P797-K799 PolarHBondContact O-N 2.96Å
798	H	67.9	Low	55.1	Low	62 Å²	62	111.6 Å²	111.6	29%	0.287	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	84.9	-172.9	-55.5	-60.6	0	0	0	111.8	K796 Y807 H809 P810 L813	K796-H798 PolarHBondContact O-N 2.81Å; H798-Y807 PolarHBondContact N-O 3.46Å; H798-Y807 VanDerWaalsContact N-O 3.15Å; H798-Y807 WeakPolarHBondContact O-CB 3.42Å; H798-Y807 PolarHBondContact O-N 2.9Å; H798-H809 VanDerWaalsContact CD2-C 3.49Å; H798-P810 WeakPolarHBondContact NE2-CD 3.42Å; H798-L813 HydrophobicContact CB-CB 4.11Å; H798-L813 HydrophobicContact CB-CD2 3.87Å
799	K	68.6	Low	57	Low	142 Å²	142	105.9 Å²	105.9	62%	0.617	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.4	152.3	179.7	-63.2	170.7	-174.7	170.6	0	112	P797 R805 L813	P797-K799 PolarHBondContact O-N 2.96Å; K799-R805 CarbonylContact C-O 3.59Å; K799-R805 WeakPolarHBondContact CA-O 3.18Å; K799-L813 WeakPolarHBondContact O-CD1 3.27Å; K799-L813 VanDerWaalsContact O-CD2 3.25Å; K799-L813 WeakPolarHBondContact O-CD2 3.15Å
800	C	73.2	Confident	58.3	Low	1 Å²	1	103.4 Å²	103.4	1%	0.007	54%	0.539	C	S	.	.			trans	-100.3	105.4	177.1	-169	0	0	0	0	111.8	Q802 C803 G804 R805 Y807 L813 H816	C800-Q802 PolarHBondContact O-N 2.96Å; C800-C803 CarbonylContact O-C 3.47Å; C800-C803 PolarHBondContact O-N 3.38Å; C800-G804 WeakPolarHBondContact O-CA 3.47Å; C800-G804 PolarHBondContact O-N 3.29Å; C800-R805 PolarHBondContact N-O 3.37Å; C800-Y807 HydrophobicContact CB-CE2 4.16Å; C800-L813 HydrophobicContact CB-CD1 3.53Å; C800-H816 PolarHBondContact SG-CD2 3Å; C800-H816 PolarHBondContact SG-NE2 3.3Å; C800-H816 VanDerWaalsContact SG-NE2 3.39Å
801	D	65.5	Low	59.1	Low	126 Å²	126	99.3 Å²	99.3	67%	0.674	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-28.5	-178.1	2.6	-57.9	0	0	0	114.3	K817	D801-K817 IonicContact OD1-NZ 2.62Å; D801-K817 PolarHBondContact OD1-NZ 3.45Å; D801-K817 VanDerWaalsContact OD2-CE 3.29Å; D801-K817 WeakPolarHBondContact OD2-CE 3.44Å; D801-K817 IonicContact OD2-NZ 3.35Å; D801-K817 PolarHBondContact OD2-NZ 3.4Å
802	Q	56.6	Low	61	Low	134 Å²	134	95.1 Å²	95.1	63%	0.626	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.5	179.2	-66.4	-176.5	-11	0	0	115.4	C800	C800-Q802 PolarHBondContact O-N 2.96Å
803	C	62.8	Low	63	Low	49 Å²	49	90.4 Å²	90.4	33%	0.331	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.4	14.2	176.6	73.7	0	0	0	0	116.5	C800 R805 H816 H820	C800-C803 CarbonylContact O-C 3.47Å; C800-C803 PolarHBondContact O-N 3.38Å; C803-R805 PolarHBondContact O-N 2.94Å; C803-H816 PolarHBondContact SG-NE2 3.15Å; C803-H820 VanDerWaalsContact CB-NE2 3.31Å; C803-H820 WeakPolarHBondContact CB-NE2 3.48Å; C803-H820 PolarHBondContact SG-NE2 3Å; C803-H820 VanDerWaalsContact SG-NE2 3.42Å
804	G	58.2	Low	64	Low	61 Å²	61	86.9 Å²	86.9	63%	0.629	46%	0.464	S	S	*	.			trans	69.3	-8.8	176.5	0	0	0	0	0	116.5	C800 G806	C800-G804 WeakPolarHBondContact O-CA 3.47Å; C800-G804 PolarHBondContact O-N 3.29Å; G804-G806 PolarHBondContact O-N 2.75Å
805	R	66.8	Low	65.2	Low	157 Å²	157	87.8 Å²	87.8	59%	0.592	46%	0.463	S	S	*	.			trans	-67.7	122.3	-172.7	-70.5	-179.2	-178.9	171.3	2.8	112.1	K799 C800 C803 Y807	K799-R805 CarbonylContact C-O 3.59Å; K799-R805 WeakPolarHBondContact CA-O 3.18Å; C800-R805 PolarHBondContact N-O 3.37Å; C803-R805 PolarHBondContact O-N 2.94Å; R805-Y807 HydrophobicContact CB-CE2 3.62Å; R805-Y807 VanDerWaalsContact O-CD2 3.25Å; R805-Y807 WeakPolarHBondContact O-CD2 3.28Å; R805-Y807 VanDerWaalsContact O-CE2 3.25Å; R805-Y807 WeakPolarHBondContact O-CE2 3.37Å
806	G	64.5	Low	66	Low	35 Å²	35	82.3 Å²	82.3	36%	0.361	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132	172.1	0	0	0	0	0	112.6	G804	G804-G806 PolarHBondContact O-N 2.75Å
807	Y	76.9	Confident	66.6	Low	56 Å²	56	81.8 Å²	81.8	22%	0.22	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.7	173.2	-63.2	-90.2	0	0	0	110.1	H798 C800 R805 L813 H816	H798-Y807 PolarHBondContact N-O 3.46Å; H798-Y807 VanDerWaalsContact N-O 3.15Å; H798-Y807 WeakPolarHBondContact O-CB 3.42Å; H798-Y807 PolarHBondContact O-N 2.9Å; C800-Y807 HydrophobicContact CB-CE2 4.16Å; R805-Y807 HydrophobicContact CB-CE2 3.62Å; R805-Y807 VanDerWaalsContact O-CD2 3.25Å; R805-Y807 WeakPolarHBondContact O-CD2 3.28Å; R805-Y807 VanDerWaalsContact O-CE2 3.25Å; R805-Y807 WeakPolarHBondContact O-CE2 3.37Å; Y807-L813 HydrophobicContact CD2-CB 4.37Å; Y807-L813 HydrophobicContact CD2-CD1 4.08Å; Y807-H816 HydrophobicContact CE1-CB 4.38Å; Y807-H816 HydrophobicContact CE2-CB 4.27Å; Y807-H816 AromaticContact CE2-CD2 3.18Å; Y807-H816 WeakPolarHBondContact CE2-CD2 3.43Å; Y807-H816 AromaticContact CE2-CG 3.89Å; Y807-H816 AromaticContact CE2-NE2 3.86Å; Y807-H816 AromaticContact CZ-CD2 3.36Å; Y807-H816 AromaticContact CZ-CG 3.64Å; Y807-H816 AromaticContact CZ-NE2 3.95Å; Y807-H816 PolarHBondContact OH-CD2 3.17Å; Y807-H816 VanDerWaalsContact OH-CG 3.32Å; Y807-H816 PolarHBondContact OH-NE2 3.27Å
808	R	71.3	Confident	66.4	Low	190 Å²	190	83.4 Å²	83.4	72%	0.717	43%	0.429	S	S	*	.	S	Bend	trans	-80.3	-18.3	-177.1	-154.6	174.6	-166.7	160.1	5.8	114
809	H	73.8	Confident	65.9	Low	108 Å²	108	82 Å²	82	50%	0.5	43%	0.426	S	S	.	.	S	Bend	trans	-140.3	149.2	-177.4	-51.7	-73	0	0	0	112.3	H798 C811 S812 L813	H798-H809 VanDerWaalsContact CD2-C 3.49Å; H809-C811 VanDerWaalsContact C-N 3.32Å; H809-C811 PolarHBondContact O-N 2.82Å; H809-S812 WeakPolarHBondContact O-CB 3.48Å; H809-S812 PolarHBondContact O-N 3.42Å; H809-S812 VanDerWaalsContact O-N 3.16Å; H809-L813 PolarHBondContact O-N 3.14Å
810	P	64.9	Low	65.3	Low	73 Å²	73	78.4 Å²	78.4	47%	0.474	41%	0.411	S	S	.	.	H	α-helix	trans	-59.4	-39.4	179.6	-22.2	32.2	0	0	0	112.8	H798 S812 L813 L814	H798-P810 WeakPolarHBondContact NE2-CD 3.42Å; P810-S812 VanDerWaalsContact C-N 3.28Å; P810-S812 PolarHBondContact O-N 3.19Å; P810-L813 CarbonylContact O-C 3.37Å; P810-L813 WeakPolarHBondContact O-CB 3.25Å; P810-L813 PolarHBondContact O-N 3.08Å; P810-L813 VanDerWaalsContact O-N 3.17Å; P810-L814 WeakPolarHBondContact O-CB 3.37Å; P810-L814 PolarHBondContact O-N 3.08Å
811	C	54.1	Low	64.6	Low	89 Å²	89	86.2 Å²	86.2	60%	0.601	45%	0.445	S	S	*	.	H	α-helix	trans	-64.7	-31	179.9	-60.6	0	0	0	0	112.9	H809 N815	H809-C811 VanDerWaalsContact C-N 3.32Å; H809-C811 PolarHBondContact O-N 2.82Å; C811-N815 WeakPolarHBondContact O-CB 3.31Å; C811-N815 PolarHBondContact O-N 2.75Å; C811-N815 VanDerWaalsContact O-N 3.09Å; C811-N815 PolarHBondContact O-ND2 3.37Å
812	S	73.6	Confident	64.1	Low	52 Å²	52	85.2 Å²	85.2	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-70.6	-44.6	173.3	-52.4	0	0	0	0	110.8	H809 P810 H816	H809-S812 WeakPolarHBondContact O-CB 3.48Å; H809-S812 PolarHBondContact O-N 3.42Å; H809-S812 VanDerWaalsContact O-N 3.16Å; P810-S812 VanDerWaalsContact C-N 3.28Å; P810-S812 PolarHBondContact O-N 3.19Å; S812-H816 WeakPolarHBondContact O-CB 3.46Å; S812-H816 PolarHBondContact O-N 3.39Å
813	L	71.9	Confident	64.2	Low	20 Å²	20	80.1 Å²	80.1	11%	0.105	43%	0.427	C	S	.	.	H	α-helix	trans	-60.5	-44.4	173.4	173.9	60.8	0	0	0	111.4	H798 K799 C800 Y807 H809 P810 H816 K817	H798-L813 HydrophobicContact CB-CB 4.11Å; H798-L813 HydrophobicContact CB-CD2 3.87Å; K799-L813 WeakPolarHBondContact O-CD1 3.27Å; K799-L813 VanDerWaalsContact O-CD2 3.25Å; K799-L813 WeakPolarHBondContact O-CD2 3.15Å; C800-L813 HydrophobicContact CB-CD1 3.53Å; Y807-L813 HydrophobicContact CD2-CB 4.37Å; Y807-L813 HydrophobicContact CD2-CD1 4.08Å; H809-L813 PolarHBondContact O-N 3.14Å; P810-L813 CarbonylContact O-C 3.37Å; P810-L813 WeakPolarHBondContact O-CB 3.25Å; P810-L813 PolarHBondContact O-N 3.08Å; P810-L813 VanDerWaalsContact O-N 3.17Å; L813-H816 CarbonylContact O-C 3.55Å; L813-H816 WeakPolarHBondContact O-CA 3.45Å; L813-H816 WeakPolarHBondContact O-CB 3.25Å; L813-H816 PolarHBondContact O-N 3.48Å; L813-H816 VanDerWaalsContact O-N 3.08Å; L813-K817 HydrophobicContact CD1-CD 4.42Å; L813-K817 HydrophobicContact CD1-CG 4.08Å; L813-K817 HydrophobicContact CG-CD 4.42Å; L813-K817 HydrophobicContact CG-CG 4.39Å; L813-K817 PolarHBondContact O-N 3.32Å
814	L	67.1	Low	64.1	Low	92 Å²	92	81.5 Å²	81.5	48%	0.482	43%	0.433	S	S	.	.	H	α-helix	trans	-67.2	-39.6	-178.4	-176.1	60.8	0	0	0	112.4	P810 H816 K817 K818	P810-L814 WeakPolarHBondContact O-CB 3.37Å; P810-L814 PolarHBondContact O-N 3.08Å; L814-H816 PolarHBondContact O-N 3.17Å; L814-K817 PolarHBondContact O-N 3.02Å; L814-K818 WeakPolarHBondContact O-CB 3.34Å; L814-K818 VanDerWaalsContact O-CG 3.28Å; L814-K818 WeakPolarHBondContact O-CG 3.18Å; L814-K818 PolarHBondContact O-N 3.31Å
815	N	62.5	Low	64.5	Low	89 Å²	89	81.5 Å²	81.5	48%	0.476	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-29	171.5	-79.4	-55.4	0	0	0	112.4	C811 S819	C811-N815 WeakPolarHBondContact O-CB 3.31Å; C811-N815 PolarHBondContact O-N 2.75Å; C811-N815 VanDerWaalsContact O-N 3.09Å; C811-N815 PolarHBondContact O-ND2 3.37Å; N815-S819 PolarHBondContact O-N 3.01Å
816	H	69.1	Low	64.2	Low	20 Å²	20	80.6 Å²	80.6	9%	0.093	41%	0.413	C	S	.	.	H	α-helix	trans	-78.8	-39.4	173.3	174.6	48.6	0	0	0	113.3	C800 C803 Y807 S812 L813 L814 K818 S819 H820	C800-H816 PolarHBondContact SG-CD2 3Å; C800-H816 PolarHBondContact SG-NE2 3.3Å; C800-H816 VanDerWaalsContact SG-NE2 3.39Å; C803-H816 PolarHBondContact SG-NE2 3.15Å; Y807-H816 HydrophobicContact CE1-CB 4.38Å; Y807-H816 HydrophobicContact CE2-CB 4.27Å; Y807-H816 AromaticContact CE2-CD2 3.18Å; Y807-H816 WeakPolarHBondContact CE2-CD2 3.43Å; Y807-H816 AromaticContact CE2-CG 3.89Å; Y807-H816 AromaticContact CE2-NE2 3.86Å; Y807-H816 AromaticContact CZ-CD2 3.36Å; Y807-H816 AromaticContact CZ-CG 3.64Å; Y807-H816 AromaticContact CZ-NE2 3.95Å; Y807-H816 PolarHBondContact OH-CD2 3.17Å; Y807-H816 VanDerWaalsContact OH-CG 3.32Å; Y807-H816 PolarHBondContact OH-NE2 3.27Å; S812-H816 WeakPolarHBondContact O-CB 3.46Å; S812-H816 PolarHBondContact O-N 3.39Å; L813-H816 CarbonylContact O-C 3.55Å; L813-H816 WeakPolarHBondContact O-CA 3.45Å; L813-H816 WeakPolarHBondContact O-CB 3.25Å; L813-H816 PolarHBondContact O-N 3.48Å; L813-H816 VanDerWaalsContact O-N 3.08Å; L814-H816 PolarHBondContact O-N 3.17Å; H816-K818 PolarHBondContact O-N 2.87Å; H816-S819 PolarHBondContact ND1-OG 2.84Å; H816-S819 VanDerWaalsContact ND1-OG 3.1Å; H816-S819 WeakPolarHBondContact O-CA 3.3Å; H816-S819 WeakPolarHBondContact O-CB 3.43Å; H816-S819 PolarHBondContact O-N 3.24Å; H816-S819 PolarHBondContact O-OG 3.36Å; H816-H820 AromaticContact CE1-CD2 3.88Å; H816-H820 AromaticContact CE1-NE2 3.92Å; H816-H820 AromaticContact NE2-CD2 3.97Å; H816-H820 PolarHBondContact O-N 3.45Å
817	K	64.8	Low	64.6	Low	76 Å²	76	78.9 Å²	78.9	33%	0.33	40%	0.396	S	S	.	.	H	α-helix	trans	-59.6	-37	168.5	-69.4	-168.3	-177.6	-165.9	0	110.7	D801 L813 L814 S819 H820	D801-K817 IonicContact OD1-NZ 2.62Å; D801-K817 PolarHBondContact OD1-NZ 3.45Å; D801-K817 VanDerWaalsContact OD2-CE 3.29Å; D801-K817 WeakPolarHBondContact OD2-CE 3.44Å; D801-K817 IonicContact OD2-NZ 3.35Å; D801-K817 PolarHBondContact OD2-NZ 3.4Å; L813-K817 HydrophobicContact CD1-CD 4.42Å; L813-K817 HydrophobicContact CD1-CG 4.08Å; L813-K817 HydrophobicContact CG-CD 4.42Å; L813-K817 HydrophobicContact CG-CG 4.39Å; L813-K817 PolarHBondContact O-N 3.32Å; L814-K817 PolarHBondContact O-N 3.02Å; K817-S819 PolarHBondContact O-N 2.86Å; K817-H820 PolarHBondContact O-N 2.85Å; K817-H820 VanDerWaalsContact O-N 3.13Å
818	K	61.3	Low	64	Low	119 Å²	119	83 Å²	83	52%	0.517	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-23.6	168.7	-72.8	168.9	-177.5	174.4	0	113.9	L814 H816	L814-K818 WeakPolarHBondContact O-CB 3.34Å; L814-K818 VanDerWaalsContact O-CG 3.28Å; L814-K818 WeakPolarHBondContact O-CG 3.18Å; L814-K818 PolarHBondContact O-N 3.31Å; H816-K818 PolarHBondContact O-N 2.87Å
819	S	56.2	Low	63.8	Low	32 Å²	32	78.3 Å²	78.3	22%	0.224	41%	0.413	C	S	.	.	H	α-helix	trans	-81.3	-17.9	173.1	75.3	0	0	0	0	114.4	N815 H816 K817 N836	N815-S819 PolarHBondContact O-N 3.01Å; H816-S819 PolarHBondContact ND1-OG 2.84Å; H816-S819 VanDerWaalsContact ND1-OG 3.1Å; H816-S819 WeakPolarHBondContact O-CA 3.3Å; H816-S819 WeakPolarHBondContact O-CB 3.43Å; H816-S819 PolarHBondContact O-N 3.24Å; H816-S819 PolarHBondContact O-OG 3.36Å; K817-S819 PolarHBondContact O-N 2.86Å; S819-N836 VanDerWaalsContact CB-ND2 3.33Å; S819-N836 WeakPolarHBondContact CB-ND2 3.49Å
820	H	56.2	Low	63.2	Low	68 Å²	68	75.4 Å²	75.4	32%	0.315	40%	0.404	S	S	.	.	H	α-helix	trans	-81.9	-11.1	172.9	-71.1	-60.7	0	0	0	113.8	C803 H816 K817 T822	C803-H820 VanDerWaalsContact CB-NE2 3.31Å; C803-H820 WeakPolarHBondContact CB-NE2 3.48Å; C803-H820 PolarHBondContact SG-NE2 3Å; C803-H820 VanDerWaalsContact SG-NE2 3.42Å; H816-H820 AromaticContact CE1-CD2 3.88Å; H816-H820 AromaticContact CE1-NE2 3.92Å; H816-H820 AromaticContact NE2-CD2 3.97Å; H816-H820 PolarHBondContact O-N 3.45Å; K817-H820 PolarHBondContact O-N 2.85Å; K817-H820 VanDerWaalsContact O-N 3.13Å; H820-T822 PolarHBondContact O-N 2.87Å
821	K	58.3	Low	63.1	Low	165 Å²	165	77.2 Å²	77.2	72%	0.717	41%	0.406	S	S	*	.			trans	-72.6	74.5	164.6	-77.8	-168.1	171.5	-175.6	0	110.2	G823	K821-G823 PolarHBondContact O-N 3.08Å
822	T	55.3	Low	63.4	Low	105 Å²	105	78.6 Å²	78.6	64%	0.644	40%	0.402	S	S	*	.			trans	-75.1	65.6	-179.4	50.6	0	0	0	0	112.4	H820	H820-T822 PolarHBondContact O-N 2.87Å
823	G	59	Low	62.8	Low	26 Å²	26	83.9 Å²	83.9	27%	0.268	41%	0.414	S	S	.	.			trans	-80.8	155.2	164.8	0	0	0	0	0	112	K821 F825 Y835	K821-G823 PolarHBondContact O-N 3.08Å; G823-F825 WeakPolarHBondContact O-CD2 3.43Å; G823-F825 VanDerWaalsContact O-CE2 3.3Å; G823-F825 WeakPolarHBondContact O-CE2 3.12Å; G823-F825 PolarHBondContact O-N 2.99Å; G823-Y835 CarbonylContact O-C 3.52Å; G823-Y835 WeakPolarHBondContact O-CA 3.26Å
824	V	60.9	Low	62.6	Low	78 Å²	78	85.3 Å²	85.3	47%	0.473	42%	0.418	S	S	.	.			trans	-88.6	83.1	171.1	-179.4	0	0	0	0	109	R833	V824-R833 HydrophobicContact CG1-CB 4.19Å; V824-R833 HydrophobicContact CG1-CG 4.1Å
825	F	66	Low	62.1	Low	61 Å²	61	89.6 Å²	89.6	27%	0.268	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.3	-179.5	-53.2	-81.9	0	0	0	110.5	G823 Y834 L837 L840	G823-F825 WeakPolarHBondContact O-CD2 3.43Å; G823-F825 VanDerWaalsContact O-CE2 3.3Å; G823-F825 WeakPolarHBondContact O-CE2 3.12Å; G823-F825 PolarHBondContact O-N 2.99Å; F825-Y834 PolarHBondContact N-O 2.99Å; F825-Y834 PolarHBondContact O-N 3.36Å; F825-L837 HydrophobicContact CD1-CB 4.49Å; F825-L837 HydrophobicContact CD1-CD1 3.98Å; F825-L837 HydrophobicContact CD2-CB 4.21Å; F825-L837 HydrophobicContact CE1-CB 4.25Å; F825-L837 HydrophobicContact CE1-CD1 4.2Å; F825-L837 HydrophobicContact CE2-CB 3.95Å; F825-L837 HydrophobicContact CG-CB 4.48Å; F825-L837 HydrophobicContact CG-CD1 4.35Å; F825-L837 HydrophobicContact CZ-CB 3.97Å; F825-L840 HydrophobicContact CB-CB 4.18Å; F825-L840 HydrophobicContact CB-CD2 3.71Å
826	R	61.1	Low	62.5	Low	138 Å²	138	86.6 Å²	86.6	52%	0.521	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142.5	175	-74.7	178.5	173.2	89.8	-12.8	110.7	R833	R826-R833 HydrophobicContact CG-CG 4.01Å
827	C	72.2	Confident	62.6	Low	0 Å²	0	89.9 Å²	89.9	0%	0	43%	0.431	C	S	.	.			trans	-85.5	110.6	172.2	-172.6	0	0	0	0	111.1	V829 C830 Q831 K832 Y834 L840 H843 H847	C827-V829 PolarHBondContact O-N 3.43Å; C827-C830 PolarHBondContact O-N 3.39Å; C827-Q831 VanDerWaalsContact O-CA 3.26Å; C827-Q831 WeakPolarHBondContact O-CA 3.44Å; C827-Q831 PolarHBondContact O-N 3.01Å; C827-K832 PolarHBondContact N-O 2.9Å; C827-Y834 HydrophobicContact CB-CE2 4.24Å; C827-L840 HydrophobicContact CB-CD1 3.48Å; C827-L840 VanDerWaalsContact CB-CD1 3.48Å; C827-H843 PolarHBondContact SG-CD2 3.22Å; C827-H847 VanDerWaalsContact SG-CD2 3.6Å; C827-H847 PolarHBondContact SG-NE2 3.46Å; C827-H847 VanDerWaalsContact SG-NE2 3.41Å
828	L	64.9	Low	63	Low	142 Å²	142	90.5 Å²	90.5	74%	0.743	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-35.9	-176	-56.8	178	0	0	0	113.6
829	V	66.7	Low	63.5	Low	91 Å²	91	86 Å²	86	55%	0.552	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-27.1	-178.5	-172.4	0	0	0	0	114.6	C827 H847	C827-V829 PolarHBondContact O-N 3.43Å; V829-H847 HydrophobicContact CG1-CB 4.17Å; V829-H847 HydrophobicContact CG2-CB 4.49Å
830	C	62	Low	64.5	Low	47 Å²	47	85 Å²	85	32%	0.318	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.5	19	-178.7	77.6	0	0	0	0	115.5	C827 K832 H843 H847	C827-C830 PolarHBondContact O-N 3.39Å; C830-K832 PolarHBondContact O-N 3.29Å; C830-H843 PolarHBondContact SG-NE2 3.19Å; C830-H847 PolarHBondContact SG-CE1 3.13Å
831	Q	62	Low	65.2	Low	112 Å²	112	88.2 Å²	88.2	52%	0.523	43%	0.428	S	S	.	.			trans	52.1	7.5	176.2	-58.1	-62.3	-9.8	0	0	118.1	C827 R833	C827-Q831 VanDerWaalsContact O-CA 3.26Å; C827-Q831 WeakPolarHBondContact O-CA 3.44Å; C827-Q831 PolarHBondContact O-N 3.01Å; Q831-R833 PolarHBondContact O-N 3.15Å
832	K	61	Low	65.7	Low	117 Å²	117	83.9 Å²	83.9	51%	0.509	41%	0.412	S	S	.	.			trans	-60	135.6	174.4	-71	173.6	-170	162.4	0	110.9	C827 C830 Y834	C827-K832 PolarHBondContact N-O 2.9Å; C830-K832 PolarHBondContact O-N 3.29Å; K832-Y834 HydrophobicContact CB-CE2 3.54Å; K832-Y834 WeakPolarHBondContact CB-OH 3.43Å; K832-Y834 WeakPolarHBondContact O-CD2 3.41Å; K832-Y834 VanDerWaalsContact O-CE2 3.29Å; K832-Y834 WeakPolarHBondContact O-CE2 3.41Å
833	R	59.7	Low	66.6	Low	163 Å²	163	79.8 Å²	79.8	62%	0.615	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	132	-176.8	-66.6	170.5	65.5	-178.2	1	110.7	V824 R826 Q831	V824-R833 HydrophobicContact CG1-CB 4.19Å; V824-R833 HydrophobicContact CG1-CG 4.1Å; R826-R833 HydrophobicContact CG-CG 4.01Å; Q831-R833 PolarHBondContact O-N 3.15Å
834	Y	68.3	Low	67	Low	50 Å²	50	81.6 Å²	81.6	20%	0.196	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132	177.6	-62.2	-85.8	0	0	0	109.7	F825 C827 K832 N836 A839 L840 H843	F825-Y834 PolarHBondContact N-O 2.99Å; F825-Y834 PolarHBondContact O-N 3.36Å; C827-Y834 HydrophobicContact CB-CE2 4.24Å; K832-Y834 HydrophobicContact CB-CE2 3.54Å; K832-Y834 WeakPolarHBondContact CB-OH 3.43Å; K832-Y834 WeakPolarHBondContact O-CD2 3.41Å; K832-Y834 VanDerWaalsContact O-CE2 3.29Å; K832-Y834 WeakPolarHBondContact O-CE2 3.41Å; Y834-N836 PolarHBondContact O-N 3.43Å; Y834-A839 HydrophobicContact CD1-CB 4.12Å; Y834-L840 HydrophobicContact CD2-CB 4.41Å; Y834-L840 HydrophobicContact CD2-CD1 4.01Å; Y834-L840 HydrophobicContact CG-CB 4.43Å; Y834-H843 HydrophobicContact CE1-CB 3.98Å; Y834-H843 HydrophobicContact CE2-CB 4.04Å; Y834-H843 AromaticContact CE2-CD2 3.17Å; Y834-H843 WeakPolarHBondContact CE2-CD2 3.37Å; Y834-H843 AromaticContact CE2-CG 3.75Å; Y834-H843 AromaticContact CE2-NE2 3.95Å; Y834-H843 AromaticContact CZ-CD2 3.33Å; Y834-H843 AromaticContact CZ-CG 3.44Å; Y834-H843 VanDerWaalsContact CZ-CG 3.44Å; Y834-H843 PolarHBondContact OH-CD2 2.98Å; Y834-H843 PolarHBondContact OH-ND1 2.91Å; Y834-H843 PolarHBondContact OH-NE2 2.77Å
835	Y	56.9	Low	67.6	Low	183 Å²	183	84.9 Å²	84.9	72%	0.718	39%	0.391	S	S	*	.	S	Bend	trans	-83.1	9.6	-176.5	48.9	-95.8	0	0	0	113.9	G823	G823-Y835 CarbonylContact O-C 3.52Å; G823-Y835 WeakPolarHBondContact O-CA 3.26Å
836	N	70.6	Confident	67.4	Low	25 Å²	25	85.8 Å²	85.8	13%	0.134	40%	0.402	C	S	.	.	S	Bend	trans	-156.1	132.8	-178.1	174.9	-11.9	0	0	0	108.7	S819 Y834 L838 A839 L840	S819-N836 VanDerWaalsContact CB-ND2 3.33Å; S819-N836 WeakPolarHBondContact CB-ND2 3.49Å; Y834-N836 PolarHBondContact O-N 3.43Å; N836-L838 PolarHBondContact O-N 2.84Å; N836-L838 WeakPolarHBondContact OD1-CB 3.23Å; N836-L838 PolarHBondContact OD1-N 2.89Å; N836-A839 HydrophobicContact CB-CB 4.17Å; N836-A839 WeakPolarHBondContact O-CA 3.21Å; N836-A839 WeakPolarHBondContact O-CB 3.25Å; N836-A839 PolarHBondContact O-N 3.18Å; N836-L840 PolarHBondContact O-N 3.36Å
837	L	71.4	Confident	67.6	Low	89 Å²	89	82.4 Å²	82.4	47%	0.466	39%	0.392	S	S	.	.	H	α-helix	trans	-60.3	-31.8	-179.9	-175.7	61.3	0	0	0	112.9	F825 L840 K841	F825-L837 HydrophobicContact CD1-CB 4.49Å; F825-L837 HydrophobicContact CD1-CD1 3.98Å; F825-L837 HydrophobicContact CD2-CB 4.21Å; F825-L837 HydrophobicContact CE1-CB 4.25Å; F825-L837 HydrophobicContact CE1-CD1 4.2Å; F825-L837 HydrophobicContact CE2-CB 3.95Å; F825-L837 HydrophobicContact CG-CB 4.48Å; F825-L837 HydrophobicContact CG-CD1 4.35Å; F825-L837 HydrophobicContact CZ-CB 3.97Å; L837-L840 HydrophobicContact CD1-CD2 4.43Å; L837-L840 PolarHBondContact O-N 3.37Å; L837-K841 PolarHBondContact O-N 3.42Å
838	L	73.8	Confident	66.6	Low	89 Å²	89	89.8 Å²	89.8	47%	0.466	42%	0.424	S	S	.	.	H	α-helix	trans	-69.8	-34.4	174.3	-175.3	61.1	0	0	0	112	N836 K841 N842	N836-L838 PolarHBondContact O-N 2.84Å; N836-L838 WeakPolarHBondContact OD1-CB 3.23Å; N836-L838 PolarHBondContact OD1-N 2.89Å; L838-K841 PolarHBondContact O-N 3.01Å; L838-N842 WeakPolarHBondContact O-CB 3.37Å; L838-N842 PolarHBondContact O-N 2.96Å; L838-N842 PolarHBondContact O-ND2 3.16Å
839	A	70.7	Confident	65.9	Low	25 Å²	25	86.5 Å²	86.5	21%	0.207	41%	0.407	C	S	.	.	H	α-helix	trans	-68.9	-37.1	172.7	0	0	0	0	0	111.2	Y834 N836 N842 H843	Y834-A839 HydrophobicContact CD1-CB 4.12Å; N836-A839 HydrophobicContact CB-CB 4.17Å; N836-A839 WeakPolarHBondContact O-CA 3.21Å; N836-A839 WeakPolarHBondContact O-CB 3.25Å; N836-A839 PolarHBondContact O-N 3.18Å; A839-N842 PolarHBondContact O-N 2.89Å; A839-H843 PolarHBondContact O-N 2.8Å; A839-H843 VanDerWaalsContact O-N 3.07Å
840	L	77.1	Confident	65.2	Low	12 Å²	12	89 Å²	89	6%	0.063	42%	0.417	C	S	.	.	H	α-helix	trans	-62.3	-50.9	169.7	175.4	58.4	0	0	0	111.6	F825 C827 Y834 N836 L837 N842 H843 Q844	F825-L840 HydrophobicContact CB-CB 4.18Å; F825-L840 HydrophobicContact CB-CD2 3.71Å; C827-L840 HydrophobicContact CB-CD1 3.48Å; C827-L840 VanDerWaalsContact CB-CD1 3.48Å; Y834-L840 HydrophobicContact CD2-CB 4.41Å; Y834-L840 HydrophobicContact CD2-CD1 4.01Å; Y834-L840 HydrophobicContact CG-CB 4.43Å; N836-L840 PolarHBondContact O-N 3.36Å; L837-L840 HydrophobicContact CD1-CD2 4.43Å; L837-L840 PolarHBondContact O-N 3.37Å; L840-N842 VanDerWaalsContact C-N 3.27Å; L840-N842 PolarHBondContact O-N 3.14Å; L840-H843 CarbonylContact O-C 3.54Å; L840-H843 WeakPolarHBondContact O-CA 3.43Å; L840-H843 PolarHBondContact O-N 3.33Å; L840-Q844 HydrophobicContact CD1-CG 3.85Å; L840-Q844 HydrophobicContact CG-CG 4.18Å; L840-Q844 PolarHBondContact O-N 3.29Å
841	K	72.3	Confident	64.7	Low	134 Å²	134	95.1 Å²	95.1	58%	0.583	44%	0.438	S	S	*	.	H	α-helix	trans	-59.2	-36.4	177.3	-89.6	-165.7	172	-171.7	0	112.8	L837 L838 H843 Q844 R845	L837-K841 PolarHBondContact O-N 3.42Å; L838-K841 PolarHBondContact O-N 3.01Å; K841-H843 VanDerWaalsContact C-N 3.31Å; K841-H843 PolarHBondContact O-N 2.7Å; K841-Q844 PolarHBondContact O-N 3.04Å; K841-R845 PolarHBondContact O-N 3.09Å
842	N	68.9	Low	64.5	Low	74 Å²	74	100.2 Å²	100.2	40%	0.396	45%	0.453	S	S	.	.	H	α-helix	trans	-64.1	-35.3	173.6	-74.8	-18.1	0	0	0	112.8	L838 A839 L840 R845	L838-N842 WeakPolarHBondContact O-CB 3.37Å; L838-N842 PolarHBondContact O-N 2.96Å; L838-N842 PolarHBondContact O-ND2 3.16Å; A839-N842 PolarHBondContact O-N 2.89Å; L840-N842 VanDerWaalsContact C-N 3.27Å; L840-N842 PolarHBondContact O-N 3.14Å; N842-R845 PolarHBondContact OD1-NH2 3.38Å
843	H	72.6	Confident	64.4	Low	19 Å²	19	97.5 Å²	97.5	9%	0.088	44%	0.442	C	S	.	.	H	α-helix	trans	-80.8	-33.7	175	173.4	51.8	0	0	0	113.5	C827 C830 Y834 A839 L840 K841 R845 T846 H847	C827-H843 PolarHBondContact SG-CD2 3.22Å; C830-H843 PolarHBondContact SG-NE2 3.19Å; Y834-H843 HydrophobicContact CE1-CB 3.98Å; Y834-H843 HydrophobicContact CE2-CB 4.04Å; Y834-H843 AromaticContact CE2-CD2 3.17Å; Y834-H843 WeakPolarHBondContact CE2-CD2 3.37Å; Y834-H843 AromaticContact CE2-CG 3.75Å; Y834-H843 AromaticContact CE2-NE2 3.95Å; Y834-H843 AromaticContact CZ-CD2 3.33Å; Y834-H843 AromaticContact CZ-CG 3.44Å; Y834-H843 VanDerWaalsContact CZ-CG 3.44Å; Y834-H843 PolarHBondContact OH-CD2 2.98Å; Y834-H843 PolarHBondContact OH-ND1 2.91Å; Y834-H843 PolarHBondContact OH-NE2 2.77Å; A839-H843 PolarHBondContact O-N 2.8Å; A839-H843 VanDerWaalsContact O-N 3.07Å; L840-H843 CarbonylContact O-C 3.54Å; L840-H843 WeakPolarHBondContact O-CA 3.43Å; L840-H843 PolarHBondContact O-N 3.33Å; K841-H843 VanDerWaalsContact C-N 3.31Å; K841-H843 PolarHBondContact O-N 2.7Å; H843-R845 PolarHBondContact O-N 2.87Å; H843-T846 PolarHBondContact ND1-OG1 3.18Å; H843-T846 WeakPolarHBondContact O-CA 3.38Å; H843-T846 WeakPolarHBondContact O-CB 3.32Å; H843-T846 PolarHBondContact O-N 3.28Å; H843-T846 PolarHBondContact O-OG1 3.44Å; H843-H847 AromaticContact CD2-NE2 3.81Å; H843-H847 AromaticContact CE1-CE1 3.64Å; H843-H847 AromaticContact CE1-NE2 3.11Å; H843-H847 PolarHBondContact CE1-NE2 3.23Å; H843-H847 AromaticContact ND1-NE2 3.96Å; H843-H847 AromaticContact NE2-CD2 3.96Å; H843-H847 AromaticContact NE2-CE1 3.8Å; H843-H847 AromaticContact NE2-NE2 2.98Å; H843-H847 PolarHBondContact NE2-NE2 3.28Å
844	Q	68.9	Low	64.3	Low	64 Å²	64	95.7 Å²	95.7	30%	0.299	44%	0.438	S	S	.	.	H	α-helix	trans	-58.2	-38.7	172.2	-75.6	172	-48.3	0	0	110.8	L840 K841 T846 H847 F848	L840-Q844 HydrophobicContact CD1-CG 3.85Å; L840-Q844 HydrophobicContact CG-CG 4.18Å; L840-Q844 PolarHBondContact O-N 3.29Å; K841-Q844 PolarHBondContact O-N 3.04Å; Q844-T846 PolarHBondContact O-N 2.89Å; Q844-H847 PolarHBondContact O-N 3.04Å; Q844-F848 WeakPolarHBondContact O-CD2 3.47Å
845	R	72.4	Confident	64.5	Low	148 Å²	148	93.4 Å²	93.4	56%	0.558	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-57	-30.3	170.6	-71.1	-168.3	-73.9	176.9	-4.1	113.7	K841 N842 H843 H847 F848 D849	K841-R845 PolarHBondContact O-N 3.09Å; N842-R845 PolarHBondContact OD1-NH2 3.38Å; H843-R845 PolarHBondContact O-N 2.87Å; R845-H847 PolarHBondContact O-N 3.09Å; R845-F848 PolarHBondContact O-N 2.92Å; R845-D849 PolarHBondContact O-N 3.5Å; R845-D849 VanDerWaalsContact O-N 3.12Å
846	T	62.8	Low	64.9	Low	79 Å²	79	91.1 Å²	91.1	49%	0.485	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-74.1	-7.5	175.6	63.3	0	0	0	0	115	H843 Q844	H843-T846 PolarHBondContact ND1-OG1 3.18Å; H843-T846 WeakPolarHBondContact O-CA 3.38Å; H843-T846 WeakPolarHBondContact O-CB 3.32Å; H843-T846 PolarHBondContact O-N 3.28Å; H843-T846 PolarHBondContact O-OG1 3.44Å; Q844-T846 PolarHBondContact O-N 2.89Å
847	H	63.7	Low	64.5	Low	68 Å²	68	95.9 Å²	95.9	32%	0.315	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-95	-18.2	169.2	-61.4	-64.5	0	0	0	113	C827 V829 C830 H843 Q844 R845	C827-H847 VanDerWaalsContact SG-CD2 3.6Å; C827-H847 PolarHBondContact SG-NE2 3.46Å; C827-H847 VanDerWaalsContact SG-NE2 3.41Å; V829-H847 HydrophobicContact CG1-CB 4.17Å; V829-H847 HydrophobicContact CG2-CB 4.49Å; C830-H847 PolarHBondContact SG-CE1 3.13Å; H843-H847 AromaticContact CD2-NE2 3.81Å; H843-H847 AromaticContact CE1-CE1 3.64Å; H843-H847 AromaticContact CE1-NE2 3.11Å; H843-H847 PolarHBondContact CE1-NE2 3.23Å; H843-H847 AromaticContact ND1-NE2 3.96Å; H843-H847 AromaticContact NE2-CD2 3.96Å; H843-H847 AromaticContact NE2-CE1 3.8Å; H843-H847 AromaticContact NE2-NE2 2.98Å; H843-H847 PolarHBondContact NE2-NE2 3.28Å; Q844-H847 PolarHBondContact O-N 3.04Å; R845-H847 PolarHBondContact O-N 3.09Å
848	F	52.2	Low	64.3	Low	154 Å²	154	93.8 Å²	93.8	68%	0.675	44%	0.439	S	S	*	.	S	Bend	trans	-111.9	9.5	-178	-69.1	-77.6	0	0	0	113.5	Q844 R845 L850	Q844-F848 WeakPolarHBondContact O-CD2 3.47Å; R845-F848 PolarHBondContact O-N 2.92Å; F848-L850 VanDerWaalsContact C-N 3.33Å; F848-L850 PolarHBondContact O-N 2.92Å
849	D	51	Low	63.8	Low	73 Å²	73	92.3 Å²	92.3	39%	0.39	45%	0.445	S	S	.	.			trans	-74.5	77.8	175.6	-77.5	-37.7	0	0	0	111.3	R845 K851 K863	R845-D849 PolarHBondContact O-N 3.5Å; R845-D849 VanDerWaalsContact O-N 3.12Å; D849-K851 PolarHBondContact O-N 3.24Å; D849-K863 WeakPolarHBondContact OD1-CE 2.97Å; D849-K863 IonicContact OD1-NZ 3.01Å; D849-K863 PolarHBondContact OD1-NZ 3.47Å; D849-K863 IonicContact OD2-NZ 3.25Å; D849-K863 PolarHBondContact OD2-NZ 3.28Å
850	L	51.2	Low	63.6	Low	144 Å²	144	96.3 Å²	96.3	75%	0.754	46%	0.458	S	S	*	.			trans	-58.2	131.4	165	-81.8	84.9	0	0	0	109.5	F848 R852	F848-L850 VanDerWaalsContact C-N 3.33Å; F848-L850 PolarHBondContact O-N 2.92Å; L850-R852 PolarHBondContact O-N 3.43Å; L850-R852 VanDerWaalsContact O-N 3.09Å
851	K	52.1	Low	63.3	Low	176 Å²	176	97.7 Å²	97.7	77%	0.765	47%	0.471	S	S	*	.			trans	-58.8	110.3	179.7	-67.1	175.3	175.9	176.7	0	110.5	D849 A861	D849-K851 PolarHBondContact O-N 3.24Å; K851-A861 HydrophobicContact CB-CB 4.08Å; K851-A861 HydrophobicContact CD-CB 3.68Å; K851-A861 HydrophobicContact CG-CB 3.72Å
852	R	57.4	Low	63.4	Low	219 Å²	219	93.7 Å²	93.7	83%	0.826	45%	0.454	S	S	*	.			trans	-103.6	-16.3	178.4	-74.4	-171.1	177.3	-159.1	-2.7	116.2	L850	L850-R852 PolarHBondContact O-N 3.43Å; L850-R852 VanDerWaalsContact O-N 3.09Å
853	H	58.9	Low	62.9	Low	60 Å²	60	95.9 Å²	95.9	28%	0.278	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	98.5	177.2	-55.7	-65.1	0	0	0	111.4	A861 F862 Q865 L868	H853-A861 CarbonylContact O-C 3.54Å; H853-A861 WeakPolarHBondContact O-CA 3.46Å; H853-F862 PolarHBondContact O-N 3.23Å; H853-Q865 PolarHBondContact CD2-N 3.29Å; H853-L868 HydrophobicContact CB-CB 4.47Å; H853-L868 HydrophobicContact CB-CD2 3.94Å
854	K	58	Low	62.9	Low	125 Å²	125	99.3 Å²	99.3	54%	0.543	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	149.3	172	47.4	163.7	-176.6	131	0	111.1	E856 L868	K854-E856 WeakPolarHBondContact CD-OE1 3.24Å; K854-E856 WeakPolarHBondContact CE-OE1 3.37Å; K854-E856 VanDerWaalsContact CG-OE1 3.24Å; K854-E856 WeakPolarHBondContact CG-OE1 3.44Å; K854-E856 IonicContact NZ-OE1 2.68Å; K854-E856 PolarHBondContact NZ-OE1 2.83Å; K854-E856 IonicContact NZ-OE2 2.67Å; K854-E856 PolarHBondContact NZ-OE2 3.42Å; K854-L868 VanDerWaalsContact O-CD2 3.26Å; K854-L868 WeakPolarHBondContact O-CD2 3.34Å
855	C	72.7	Confident	62.9	Low	1 Å²	1	101.8 Å²	101.8	1%	0.007	49%	0.489	C	S	.	.			trans	-91.1	114	168.6	-174.6	0	0	0	0	108.4	E857 C858 G859 K860 F862 L868 L872	C855-E857 VanDerWaalsContact C-N 3.31Å; C855-E857 PolarHBondContact O-N 2.87Å; C855-C858 PolarHBondContact O-N 3Å; C855-G859 WeakPolarHBondContact O-CA 3.5Å; C855-G859 PolarHBondContact O-N 3.37Å; C855-K860 HydrophobicContact CB-CB 4.48Å; C855-K860 WeakPolarHBondContact CB-O 3.48Å; C855-K860 PolarHBondContact N-O 3.14Å; C855-F862 HydrophobicContact CB-CE2 4.29Å; C855-L868 HydrophobicContact CB-CD1 3.5Å; C855-L868 VanDerWaalsContact CB-CD1 3.5Å; C855-L872 VanDerWaalsContact SG-CD2 3.56Å
856	E	65.4	Low	63.1	Low	136 Å²	136	102 Å²	102	64%	0.636	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-38.2	-179.2	-56.1	-54.3	113.4	0	0	111.6	K854 C858	K854-E856 WeakPolarHBondContact CD-OE1 3.24Å; K854-E856 WeakPolarHBondContact CE-OE1 3.37Å; K854-E856 VanDerWaalsContact CG-OE1 3.24Å; K854-E856 WeakPolarHBondContact CG-OE1 3.44Å; K854-E856 IonicContact NZ-OE1 2.68Å; K854-E856 PolarHBondContact NZ-OE1 2.83Å; K854-E856 IonicContact NZ-OE2 2.67Å; K854-E856 PolarHBondContact NZ-OE2 3.42Å; E856-C858 VanDerWaalsContact C-N 3.25Å; E856-C858 PolarHBondContact O-N 3Å; E856-C858 VanDerWaalsContact O-N 3.16Å
857	E	61.9	Low	63.3	Low	124 Å²	124	102.7 Å²	102.7	58%	0.579	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.1	-179	-70.6	-174.4	-131.5	0	0	115.6	C855 H875	C855-E857 VanDerWaalsContact C-N 3.31Å; C855-E857 PolarHBondContact O-N 2.87Å; E857-H875 WeakPolarHBondContact OE2-CB 3.39Å; E857-H875 IonicContact OE2-CE1 3.45Å; E857-H875 IonicContact OE2-CG 3.95Å; E857-H875 IonicContact OE2-ND1 2.68Å; E857-H875 PolarHBondContact OE2-ND1 2.78Å
858	C	65.6	Low	64	Low	46 Å²	46	100.4 Å²	100.4	31%	0.311	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.3	21.1	178.6	70.3	0	0	0	0	115.9	C855 E856 K860 H871	C855-C858 PolarHBondContact O-N 3Å; E856-C858 VanDerWaalsContact C-N 3.25Å; E856-C858 PolarHBondContact O-N 3Å; E856-C858 VanDerWaalsContact O-N 3.16Å; C858-K860 PolarHBondContact O-N 3.12Å; C858-K860 PolarHBondContact SG-NZ 3.24Å; C858-H871 PolarHBondContact SG-NE2 3.21Å
859	G	64.1	Low	65.2	Low	57 Å²	57	97 Å²	97	59%	0.588	47%	0.47	S	S	*	.			trans	65	-4.7	176	0	0	0	0	0	117.4	C855 A861	C855-G859 WeakPolarHBondContact O-CA 3.5Å; C855-G859 PolarHBondContact O-N 3.37Å; G859-A861 PolarHBondContact O-N 2.85Å
860	K	66.8	Low	66.5	Low	109 Å²	109	97.6 Å²	97.6	47%	0.474	47%	0.473	S	S	.	.			trans	-69	126	-174.1	-65.7	-178.8	-165.9	101.8	0	110.5	C855 C858 F862	C855-K860 HydrophobicContact CB-CB 4.48Å; C855-K860 WeakPolarHBondContact CB-O 3.48Å; C855-K860 PolarHBondContact N-O 3.14Å; C858-K860 PolarHBondContact O-N 3.12Å; C858-K860 PolarHBondContact SG-NZ 3.24Å; K860-F862 HydrophobicContact CB-CE2 3.61Å; K860-F862 HydrophobicContact CB-CZ 3.88Å; K860-F862 WeakPolarHBondContact O-CD2 3.48Å; K860-F862 VanDerWaalsContact O-CE2 3.25Å; K860-F862 WeakPolarHBondContact O-CE2 3.37Å
861	A	70.9	Confident	67.7	Low	41 Å²	41	92 Å²	92	34%	0.339	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.7	-179.2	0	0	0	0	0	112.1	K851 H853 G859	K851-A861 HydrophobicContact CB-CB 4.08Å; K851-A861 HydrophobicContact CD-CB 3.68Å; K851-A861 HydrophobicContact CG-CB 3.72Å; H853-A861 CarbonylContact O-C 3.54Å; H853-A861 WeakPolarHBondContact O-CA 3.46Å; G859-A861 PolarHBondContact O-N 2.85Å
862	F	73.1	Confident	68.7	Low	50 Å²	50	86.6 Å²	86.6	22%	0.219	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148	-175.5	-61.8	-90.5	0	0	0	111.1	H853 C855 K860 I864 Q867 L868 H871	H853-F862 PolarHBondContact O-N 3.23Å; C855-F862 HydrophobicContact CB-CE2 4.29Å; K860-F862 HydrophobicContact CB-CE2 3.61Å; K860-F862 HydrophobicContact CB-CZ 3.88Å; K860-F862 WeakPolarHBondContact O-CD2 3.48Å; K860-F862 VanDerWaalsContact O-CE2 3.25Å; K860-F862 WeakPolarHBondContact O-CE2 3.37Å; F862-I864 VanDerWaalsContact C-N 3.34Å; F862-Q867 HydrophobicContact CB-CB 4.25Å; F862-Q867 HydrophobicContact CD1-CB 4Å; F862-Q867 HydrophobicContact CG-CB 4.42Å; F862-L868 HydrophobicContact CB-CB 4.35Å; F862-L868 HydrophobicContact CD2-CB 4.13Å; F862-L868 HydrophobicContact CD2-CD1 4.01Å; F862-L868 HydrophobicContact CE2-CD1 4.24Å; F862-L868 HydrophobicContact CG-CB 4.38Å; F862-H871 HydrophobicContact CE1-CB 4.35Å; F862-H871 HydrophobicContact CE2-CB 4.3Å; F862-H871 AromaticContact CE2-CD2 3.23Å; F862-H871 WeakPolarHBondContact CE2-CD2 3.37Å; F862-H871 AromaticContact CE2-CG 3.99Å; F862-H871 HydrophobicContact CZ-CB 3.91Å; F862-H871 AromaticContact CZ-CD2 3.21Å; F862-H871 WeakPolarHBondContact CZ-CD2 3.26Å; F862-H871 AromaticContact CZ-CG 3.6Å; F862-H871 AromaticContact CZ-NE2 3.89Å
863	K	59.1	Low	69.7	Low	121 Å²	121	84 Å²	84	53%	0.526	41%	0.412	S	S	.	.	S	Bend	trans	-79.6	-15.6	-178.7	-175.1	163.2	-177.6	162.1	0	113.5	D849	D849-K863 WeakPolarHBondContact OD1-CE 2.97Å; D849-K863 IonicContact OD1-NZ 3.01Å; D849-K863 PolarHBondContact OD1-NZ 3.47Å; D849-K863 IonicContact OD2-NZ 3.25Å; D849-K863 PolarHBondContact OD2-NZ 3.28Å
864	I	73.9	Confident	70.4	Confident	90 Å²	90	85.4 Å²	85.4	46%	0.462	42%	0.422	S	S	.	.	S	Bend	trans	-141.2	129.3	-175.2	-52	178	0	0	0	108.7	F862 K866 Q867 L868	F862-I864 VanDerWaalsContact C-N 3.34Å; I864-K866 HydrophobicContact CG2-CB 4.18Å; I864-K866 PolarHBondContact O-N 2.96Å; I864-Q867 HydrophobicContact CB-CG 4.16Å; I864-Q867 WeakPolarHBondContact O-CA 3.09Å; I864-Q867 WeakPolarHBondContact O-CB 3.48Å; I864-Q867 PolarHBondContact O-N 2.91Å; I864-L868 PolarHBondContact O-N 3.24Å
865	Q	67.1	Low	71.3	Confident	116 Å²	116	81.6 Å²	81.6	54%	0.542	41%	0.405	S	S	.	.	H	α-helix	trans	-53.2	-38	179.1	-166.7	179.8	1.6	0	0	113.1	H853 Q867 L868 I869	H853-Q865 PolarHBondContact CD2-N 3.29Å; Q865-Q867 PolarHBondContact O-N 2.95Å; Q865-L868 WeakPolarHBondContact O-CB 3.48Å; Q865-L868 PolarHBondContact O-N 3.47Å; Q865-L868 VanDerWaalsContact O-N 3.08Å; Q865-I869 HydrophobicContact CG-CD1 4.09Å; Q865-I869 WeakPolarHBondContact O-CG1 3.45Å; Q865-I869 PolarHBondContact O-N 3.29Å
866	K	77.1	Confident	71.2	Confident	152 Å²	152	86.8 Å²	86.8	66%	0.661	43%	0.43	S	S	*	.	H	α-helix	trans	-62.7	-23.8	175.1	-167.7	165.7	-174.1	165.4	0	114.1	I864 N870	I864-K866 HydrophobicContact CG2-CB 4.18Å; I864-K866 PolarHBondContact O-N 2.96Å; K866-N870 PolarHBondContact O-N 2.91Å; K866-N870 PolarHBondContact O-ND2 3.21Å
867	Q	68.1	Low	71.4	Confident	95 Å²	95	84.8 Å²	84.8	44%	0.444	42%	0.42	S	S	.	.	H	α-helix	trans	-78.5	-38.6	171.9	-66.5	175.5	-18.9	0	0	111.3	F862 I864 Q865 N870 H871	F862-Q867 HydrophobicContact CB-CB 4.25Å; F862-Q867 HydrophobicContact CD1-CB 4Å; F862-Q867 HydrophobicContact CG-CB 4.42Å; I864-Q867 HydrophobicContact CB-CG 4.16Å; I864-Q867 WeakPolarHBondContact O-CA 3.09Å; I864-Q867 WeakPolarHBondContact O-CB 3.48Å; I864-Q867 PolarHBondContact O-N 2.91Å; Q865-Q867 PolarHBondContact O-N 2.95Å; Q867-N870 PolarHBondContact O-N 3.44Å; Q867-H871 WeakPolarHBondContact O-CB 3.48Å; Q867-H871 PolarHBondContact O-N 3.48Å
868	L	78.6	Confident	71.2	Confident	20 Å²	20	85.5 Å²	85.5	11%	0.105	42%	0.423	C	S	.	.	H	α-helix	trans	-62.5	-46.1	171.7	173.8	60.4	0	0	0	111.4	H853 K854 C855 F862 I864 Q865 N870 H871 L872	H853-L868 HydrophobicContact CB-CB 4.47Å; H853-L868 HydrophobicContact CB-CD2 3.94Å; K854-L868 VanDerWaalsContact O-CD2 3.26Å; K854-L868 WeakPolarHBondContact O-CD2 3.34Å; C855-L868 HydrophobicContact CB-CD1 3.5Å; C855-L868 VanDerWaalsContact CB-CD1 3.5Å; F862-L868 HydrophobicContact CB-CB 4.35Å; F862-L868 HydrophobicContact CD2-CB 4.13Å; F862-L868 HydrophobicContact CD2-CD1 4.01Å; F862-L868 HydrophobicContact CE2-CD1 4.24Å; F862-L868 HydrophobicContact CG-CB 4.38Å; I864-L868 PolarHBondContact O-N 3.24Å; Q865-L868 WeakPolarHBondContact O-CB 3.48Å; Q865-L868 PolarHBondContact O-N 3.47Å; Q865-L868 VanDerWaalsContact O-N 3.08Å; L868-N870 VanDerWaalsContact C-N 3.34Å; L868-N870 PolarHBondContact O-N 3.08Å; L868-H871 CarbonylContact O-C 3.57Å; L868-H871 WeakPolarHBondContact O-CA 3.41Å; L868-H871 WeakPolarHBondContact O-CB 3.26Å; L868-H871 PolarHBondContact O-N 3.1Å; L868-L872 HydrophobicContact CD1-CD1 4.02Å; L868-L872 HydrophobicContact CD1-CD2 4.49Å; L868-L872 HydrophobicContact CD1-CG 3.95Å; L868-L872 HydrophobicContact CG-CD1 3.93Å; L868-L872 HydrophobicContact CG-CG 4.34Å; L868-L872 WeakPolarHBondContact O-CG 3.48Å; L868-L872 PolarHBondContact O-N 3.13Å
869	I	76.6	Confident	71	Confident	81 Å²	81	91.5 Å²	91.5	42%	0.415	44%	0.439	S	S	.	.	H	α-helix	trans	-60.4	-42.2	177.9	-67.2	164.5	0	0	0	111.4	Q865 H871 R873	Q865-I869 HydrophobicContact CG-CD1 4.09Å; Q865-I869 WeakPolarHBondContact O-CG1 3.45Å; Q865-I869 PolarHBondContact O-N 3.29Å; I869-H871 PolarHBondContact O-N 3.28Å; I869-R873 WeakPolarHBondContact O-CB 3.3Å; I869-R873 PolarHBondContact O-N 2.91Å
870	N	77.3	Confident	71	Confident	87 Å²	87	91.5 Å²	91.5	47%	0.465	43%	0.434	S	S	.	.	H	α-helix	trans	-66.6	-24.6	173.7	-77.7	-17.4	0	0	0	113.2	K866 Q867 L868	K866-N870 PolarHBondContact O-N 2.91Å; K866-N870 PolarHBondContact O-ND2 3.21Å; Q867-N870 PolarHBondContact O-N 3.44Å; L868-N870 VanDerWaalsContact C-N 3.34Å; L868-N870 PolarHBondContact O-N 3.08Å
871	H	77.4	Confident	70.5	Confident	27 Å²	27	92 Å²	92	13%	0.125	44%	0.436	C	S	.	.	H	α-helix	trans	-82	-43.1	177	173.8	37.9	0	0	0	112.3	C858 F862 Q867 L868 I869 R873 L874 H875	C858-H871 PolarHBondContact SG-NE2 3.21Å; F862-H871 HydrophobicContact CE1-CB 4.35Å; F862-H871 HydrophobicContact CE2-CB 4.3Å; F862-H871 AromaticContact CE2-CD2 3.23Å; F862-H871 WeakPolarHBondContact CE2-CD2 3.37Å; F862-H871 AromaticContact CE2-CG 3.99Å; F862-H871 HydrophobicContact CZ-CB 3.91Å; F862-H871 AromaticContact CZ-CD2 3.21Å; F862-H871 WeakPolarHBondContact CZ-CD2 3.26Å; F862-H871 AromaticContact CZ-CG 3.6Å; F862-H871 AromaticContact CZ-NE2 3.89Å; Q867-H871 WeakPolarHBondContact O-CB 3.48Å; Q867-H871 PolarHBondContact O-N 3.48Å; L868-H871 CarbonylContact O-C 3.57Å; L868-H871 WeakPolarHBondContact O-CA 3.41Å; L868-H871 WeakPolarHBondContact O-CB 3.26Å; L868-H871 PolarHBondContact O-N 3.1Å; I869-H871 PolarHBondContact O-N 3.28Å; H871-R873 VanDerWaalsContact C-N 3.26Å; H871-R873 PolarHBondContact O-N 3.43Å; H871-L874 WeakPolarHBondContact O-CB 3.31Å; H871-L874 PolarHBondContact O-N 3.16Å; H871-H875 AromaticContact CE1-CD2 3.51Å; H871-H875 AromaticContact CE1-NE2 3.22Å; H871-H875 PolarHBondContact CE1-NE2 3.14Å; H871-H875 AromaticContact ND1-CD2 3.9Å; H871-H875 AromaticContact NE2-NE2 3.72Å; H871-H875 PolarHBondContact O-N 3.13Å
872	L	73.6	Confident	69.2	Low	62 Å²	62	92.3 Å²	92.3	33%	0.325	44%	0.444	S	S	.	.	H	α-helix	trans	-59.7	-38.3	171.1	-68.8	168.2	0	0	0	111	C855 L868 L874 H875 E876	C855-L872 VanDerWaalsContact SG-CD2 3.56Å; L868-L872 HydrophobicContact CD1-CD1 4.02Å; L868-L872 HydrophobicContact CD1-CD2 4.49Å; L868-L872 HydrophobicContact CD1-CG 3.95Å; L868-L872 HydrophobicContact CG-CD1 3.93Å; L868-L872 HydrophobicContact CG-CG 4.34Å; L868-L872 WeakPolarHBondContact O-CG 3.48Å; L868-L872 PolarHBondContact O-N 3.13Å; L872-L874 PolarHBondContact O-N 2.96Å; L872-H875 WeakPolarHBondContact O-CA 3.39Å; L872-H875 WeakPolarHBondContact O-CB 3.5Å; L872-H875 PolarHBondContact O-N 2.89Å; L872-E876 PolarHBondContact O-N 2.94Å
873	R	78.3	Confident	68	Low	164 Å²	164	96.6 Å²	96.6	62%	0.619	47%	0.468	S	S	*	.	H	α-helix	trans	-59.7	-30.2	172.4	-170.1	174.3	-63.4	-173.7	-2	113.5	I869 H871 E877	I869-R873 WeakPolarHBondContact O-CB 3.3Å; I869-R873 PolarHBondContact O-N 2.91Å; H871-R873 VanDerWaalsContact C-N 3.26Å; H871-R873 PolarHBondContact O-N 3.43Å; R873-E877 WeakPolarHBondContact O-CB 3.17Å; R873-E877 PolarHBondContact O-N 3.05Å
874	L	73.3	Confident	67.3	Low	90 Å²	90	98 Å²	98	47%	0.471	48%	0.48	S	S	.	.	H	α-helix	trans	-76	-29.9	173.6	-68	167.3	0	0	0	112.1	H871 L872 H878	H871-L874 WeakPolarHBondContact O-CB 3.31Å; H871-L874 PolarHBondContact O-N 3.16Å; L872-L874 PolarHBondContact O-N 2.96Å; L874-H878 WeakPolarHBondContact O-CB 3.46Å; L874-H878 PolarHBondContact O-CD2 3.45Å; L874-H878 VanDerWaalsContact O-CD2 3.27Å; L874-H878 PolarHBondContact O-N 3.27Å
875	H	76.2	Confident	65.7	Low	44 Å²	44	104.6 Å²	104.6	20%	0.204	50%	0.499	C	S	.	.	H	α-helix	trans	-64.8	-48.5	169.7	-82.1	-125.1	0	0	0	110.5	E857 H871 L872 E877 H878 R879	E857-H875 WeakPolarHBondContact OE2-CB 3.39Å; E857-H875 IonicContact OE2-CE1 3.45Å; E857-H875 IonicContact OE2-CG 3.95Å; E857-H875 IonicContact OE2-ND1 2.68Å; E857-H875 PolarHBondContact OE2-ND1 2.78Å; H871-H875 AromaticContact CE1-CD2 3.51Å; H871-H875 AromaticContact CE1-NE2 3.22Å; H871-H875 PolarHBondContact CE1-NE2 3.14Å; H871-H875 AromaticContact ND1-CD2 3.9Å; H871-H875 AromaticContact NE2-NE2 3.72Å; H871-H875 PolarHBondContact O-N 3.13Å; L872-H875 WeakPolarHBondContact O-CA 3.39Å; L872-H875 WeakPolarHBondContact O-CB 3.5Å; L872-H875 PolarHBondContact O-N 2.89Å; H875-E877 VanDerWaalsContact C-N 3.35Å; H875-E877 PolarHBondContact O-N 3.49Å; H875-H878 PolarHBondContact O-N 3.02Å; H875-H878 VanDerWaalsContact O-N 3.1Å; H875-R879 WeakPolarHBondContact O-CB 3.34Å; H875-R879 PolarHBondContact O-N 2.85Å
876	E	71.8	Confident	64.3	Low	111 Å²	111	105.1 Å²	105.1	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-56.7	-45.2	173.6	-162.5	81	-97.1	0	0	112.1	L872 H878 R879 A880	L872-E876 PolarHBondContact O-N 2.94Å; E876-H878 VanDerWaalsContact C-N 3.27Å; E876-H878 PolarHBondContact O-N 3.13Å; E876-R879 PolarHBondContact O-N 3Å; E876-R879 VanDerWaalsContact O-N 3.12Å; E876-R879 IonicContact OE1-CZ 3.33Å; E876-R879 IonicContact OE1-NE 3.28Å; E876-R879 PolarHBondContact OE1-NE 2.87Å; E876-R879 IonicContact OE1-NH2 2.85Å; E876-R879 PolarHBondContact OE1-NH2 3.03Å; E876-A880 WeakPolarHBondContact O-CB 3.48Å; E876-A880 PolarHBondContact O-N 3.04Å
877	E	69.3	Low	61.9	Low	93 Å²	93	101.6 Å²	101.6	44%	0.435	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-28.6	178.4	-158.3	-165.5	141.4	0	0	112.7	R873 H875 K881	R873-E877 WeakPolarHBondContact O-CB 3.17Å; R873-E877 PolarHBondContact O-N 3.05Å; H875-E877 VanDerWaalsContact C-N 3.35Å; H875-E877 PolarHBondContact O-N 3.49Å; E877-K881 VanDerWaalsContact O-CD 3.23Å; E877-K881 WeakPolarHBondContact O-CD 3.4Å; E877-K881 WeakPolarHBondContact O-CE 3.35Å; E877-K881 VanDerWaalsContact O-CG 3.25Å; E877-K881 WeakPolarHBondContact O-CG 3.44Å; E877-K881 IonicContact OE1-NZ 2.66Å; E877-K881 PolarHBondContact OE1-NZ 3.31Å
878	H	56.7	Low	60.9	Low	139 Å²	139	102.7 Å²	102.7	64%	0.644	53%	0.532	S	S	*	.	H	α-helix	trans	-77	-37.7	170.8	-92.3	-96.4	0	0	0	112.2	L874 H875 E876 K881 G882	L874-H878 WeakPolarHBondContact O-CB 3.46Å; L874-H878 PolarHBondContact O-CD2 3.45Å; L874-H878 VanDerWaalsContact O-CD2 3.27Å; L874-H878 PolarHBondContact O-N 3.27Å; H875-H878 PolarHBondContact O-N 3.02Å; H875-H878 VanDerWaalsContact O-N 3.1Å; E876-H878 VanDerWaalsContact C-N 3.27Å; E876-H878 PolarHBondContact O-N 3.13Å; H878-K881 PolarHBondContact O-N 3.24Å; H878-G882 PolarHBondContact O-N 3.39Å
879	R	63.1	Low	58.4	Low	172 Å²	172	109.8 Å²	109.8	65%	0.649	57%	0.571	S	S	*	*	H	α-helix	trans	-64.7	-45.3	177.4	-147.4	172.6	74.4	96.8	-1.4	111.4	H875 E876 K881 G882	H875-R879 WeakPolarHBondContact O-CB 3.34Å; H875-R879 PolarHBondContact O-N 2.85Å; E876-R879 PolarHBondContact O-N 3Å; E876-R879 VanDerWaalsContact O-N 3.12Å; E876-R879 IonicContact OE1-CZ 3.33Å; E876-R879 IonicContact OE1-NE 3.28Å; E876-R879 PolarHBondContact OE1-NE 2.87Å; E876-R879 IonicContact OE1-NH2 2.85Å; E876-R879 PolarHBondContact OE1-NH2 3.03Å; R879-K881 VanDerWaalsContact C-N 3.28Å; R879-K881 PolarHBondContact O-N 3.16Å; R879-G882 PolarHBondContact O-N 3.32Å
880	A	62.3	Low	56.2	Low	57 Å²	57	109.2 Å²	109.2	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-59.2	-36.4	174.5	0	0	0	0	0	112.8	E876 G882 L883 I884	E876-A880 WeakPolarHBondContact O-CB 3.48Å; E876-A880 PolarHBondContact O-N 3.04Å; A880-G882 VanDerWaalsContact C-N 3.26Å; A880-G882 PolarHBondContact O-N 2.92Å; A880-L883 PolarHBondContact O-N 3.33Å; A880-I884 WeakPolarHBondContact O-CG1 3.35Å
881	K	56.3	Low	53.9	Low	120 Å²	120	110.9 Å²	110.9	52%	0.522	60%	0.603	S	S	.	*	H	α-helix	trans	-73.5	-14.3	176.7	-71.2	167.4	-166.9	164.4	0	113.9	E877 H878 R879	E877-K881 VanDerWaalsContact O-CD 3.23Å; E877-K881 WeakPolarHBondContact O-CD 3.4Å; E877-K881 WeakPolarHBondContact O-CE 3.35Å; E877-K881 VanDerWaalsContact O-CG 3.25Å; E877-K881 WeakPolarHBondContact O-CG 3.44Å; E877-K881 IonicContact OE1-NZ 2.66Å; E877-K881 PolarHBondContact OE1-NZ 3.31Å; H878-K881 PolarHBondContact O-N 3.24Å; R879-K881 VanDerWaalsContact C-N 3.28Å; R879-K881 PolarHBondContact O-N 3.16Å
882	G	44.8	Very low	51.5	Low	48 Å²	48	121.5 Å²	121.5	50%	0.495	64%	0.642	S	S	.	*	H	α-helix	trans	-73.5	-42.6	170	0	0	0	0	0	112.7	H878 R879 A880 I884	H878-G882 PolarHBondContact O-N 3.39Å; R879-G882 PolarHBondContact O-N 3.32Å; A880-G882 VanDerWaalsContact C-N 3.26Å; A880-G882 PolarHBondContact O-N 2.92Å; G882-I884 PolarHBondContact O-N 3.4Å
883	L	47.4	Very low	49.4	Very low	139 Å²	139	127.4 Å²	127.4	73%	0.728	67%	0.665	S	S	*	*	H	α-helix	trans	-73.3	-20.8	-173.2	-103.8	66.5	0	0	0	115	A880 R885	A880-L883 PolarHBondContact O-N 3.33Å; L883-R885 PolarHBondContact O-N 3.14Å
884	I	43.8	Very low	47.7	Very low	152 Å²	152	125.4 Å²	125.4	78%	0.779	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	4.3	-176.2	-59.7	-66.3	0	0	0	112.7	A880 G882	A880-I884 WeakPolarHBondContact O-CG1 3.35Å; G882-I884 PolarHBondContact O-N 3.4Å
885	R	40.7	Very low	45.7	Very low	227 Å²	227	128.3 Å²	128.3	86%	0.857	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	22	-169	-144	-177.1	178.3	-138.4	-7	116.2	L883	L883-R885 PolarHBondContact O-N 3.14Å
886	T	36.9	Very low	44.2	Very low	127 Å²	127	132.3 Å²	132.3	78%	0.779	71%	0.714	S	S	*	*			trans	-134.4	114	-178.6	48.7	0	0	0	0	113.7
887	G	26.8	Very low	41.9	Very low	78 Å²	78	130.1 Å²	130.1	80%	0.804	72%	0.722	S	S	*	*			trans	115.1	158.5	163.2	0	0	0	0	0	115.8
888	P	47.2	Very low	40.9	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	74%	0.739	S	S	*	*			cis	-124.5	176.2	-9.6	40.1	-25.8	0	0	0	114.7
889	N	27.7	Very low	39.5	Very low	169 Å²	169	130.1 Å²	130.1	90%	0.904	75%	0.745	S	S	*	*			trans	114.4	126.7	175.6	-65.6	-15.8	0	0	0	113.3
890	G	29.1	Very low	38.2	Very low	69 Å²	69	129.8 Å²	129.8	71%	0.711	75%	0.751	S	S	*	*			cis	176.4	125	-12.3	0	0	0	0	0	114.6
891	S	29.8	Very low	36.7	Very low	121 Å²	121	134.8 Å²	134.8	85%	0.846	77%	0.766	S	S	*	*			trans	59.8	115.4	154.1	-55.1	0	0	0	0	122.7
892	R	27.3	Very low	35.7	Very low	250 Å²	250	135.1 Å²	135.1	94%	0.943	77%	0.77	S	S	*	*				-174.7	169.6	109.1	-97.5	175.4	-168.1	-137.9	1.9	113.6
893	F	29.4	Very low	35	Very low	187 Å²	187	138.4 Å²	138.4	82%	0.82	78%	0.78	S	S	*	*			trans	-93	177.5	-166.9	-101.3	-115.9	0	0	0	113.2	Q895	F893-Q895 HydrophobicContact CE1-CG 4.47Å
894	P	41.9	Very low	34.1	Very low	122 Å²	122	137.9 Å²	137.9	79%	0.792	78%	0.776	S	S	*	*			cis	-140.6	177.2	26.5	42.7	-22.5	0	0	0	120.6
895	Q	31.7	Very low	33.5	Very low	151 Å²	151	140.4 Å²	140.4	71%	0.706	78%	0.775	S	S	*	*			trans	-82.4	-175	166.4	-80	-82.7	-6.3	0	0	110.8	F893	F893-Q895 HydrophobicContact CE1-CG 4.47Å
896	P	43.5	Very low	32.9	Very low	127 Å²	127	133.3 Å²	133.3	83%	0.825	77%	0.766	S	S	*	*			cis	-142.5	179.7	16.6	43.9	-24.3	0	0	0	118.8
897	G	24.3	Very low	32.4	Very low	66 Å²	66	135 Å²	135	68%	0.68	77%	0.765	S	S	*	*			trans	174.7	115.5	164.3	0	0	0	0	0	114.9
898	P	47.3	Very low	32.4	Very low	122 Å²	122	136 Å²	136	79%	0.792	76%	0.759	S	S	*	*			trans	-124.2	156.7	-171.6	40.7	-30	0	0	0	116.8
899	S	28	Very low	31.7	Very low	110 Å²	110	135 Å²	135	77%	0.769	76%	0.755	S	S	*	*			trans	-174.4	138.3	133.1	-85	0	0	0	0	115.1
900	Q	35.7	Very low	31.8	Very low	164 Å²	164	137.2 Å²	137.2	77%	0.766	76%	0.757	S	S	*	*			trans	10	147.5	138.6	-39.4	-173.6	21.6	0	0	118.6
901	M	31.2	Very low	31.7	Very low	162 Å²	162	137.5 Å²	137.5	80%	0.798	76%	0.76	S	S	*	*			cis	-157.6	175	44.9	-70.9	174.9	81.1	0	0	111
902	Q	34.3	Very low	32.5	Very low	127 Å²	127	137.6 Å²	137.6	59%	0.593	76%	0.757	S	S	*	*			cis	-177.6	154.5	-32.1	-179.7	170.6	-13.2	0	0	109.4
903	T	30.5	Very low	32.4	Very low	117 Å²	117	133.2 Å²	133.2	72%	0.718	75%	0.752	S	S	*	*			trans	62.3	147.1	165.2	48	0	0	0	0	120.2
904	M	29.8	Very low	32.4	Very low	129 Å²	129	132.5 Å²	132.5	64%	0.635	75%	0.753	S	S	*	*			cis	-167.7	139.8	-17.3	-111.9	-64.4	-163	0	0	111.5
905	R	30.5	Very low	31.6	Very low	204 Å²	204	129.8 Å²	129.8	77%	0.77	75%	0.748	S	S	*	*			trans	57.3	162.6	147.5	-84.7	172	177.7	152.5	0.6	119.9
906	A	28.6	Very low	31.4	Very low	79 Å²	79	128 Å²	128	65%	0.653	75%	0.747	S	S	*	*			cis	-166	163.4	-7.6	0	0	0	0	0	108.4
907	E	24.8	Very low	30.7	Very low	163 Å²	163	129.8 Å²	129.8	76%	0.762	74%	0.742	S	S	*	*			cis	-160.6	168.4	-15	-113.9	170.3	142.4	0	0	111.9
908	S	28.8	Very low	30.8	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	75%	0.748	S	S	*	*			trans	-3.9	133.8	150.3	-82.7	0	0	0	0	119.9
909	S	31.7	Very low	29.7	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	74%	0.744	S	S	*	*			cis	94.2	138.3	46.1	81.7	0	0	0	0	115.3
910	K	29.8	Very low	29.6	Very low	216 Å²	216	138.6 Å²	138.6	94%	0.939	75%	0.746	S	S	*	*			trans	167.3	156.1	154.5	-95.9	157.1	-174.3	175.9	0	111.8
911	G	26	Very low	29.3	Very low	75 Å²	75	140.3 Å²	140.3	77%	0.773	75%	0.754	S	S	*	*			trans	122.8	116.9	162.8	0	0	0	0	0	116.3
912	P	47.2	Very low	29.1	Very low	123 Å²	123	135.4 Å²	135.4	80%	0.799	75%	0.745	S	S	*	*			trans	-122.7	-171	-178.2	42.9	-31.6	0	0	0	114.8
913	L	26.2	Very low	28.6	Very low	158 Å²	158	139.6 Å²	139.6	83%	0.827	76%	0.761	S	S	*	*			trans	123.5	126.3	140.7	-140.1	86.1	0	0	0	118.8
914	M	27.9	Very low	28.6	Very low	171 Å²	171	143.5 Å²	143.5	84%	0.842	77%	0.768	S	S	*	*			trans	36.3	138.7	145.4	-75.1	-71	-167.2	0	0	125.1
915	G	26.4	Very low	28.7	Very low	66 Å²	66	146.8 Å²	146.8	68%	0.68	78%	0.779	S	S	*	*			trans	160.9	102.4	149.6	0	0	0	0	0	113.4
916	V	27.6	Very low	29.1	Very low	114 Å²	114	143.1 Å²	143.1	69%	0.691	78%	0.782	S	S	*	*				77.5	124.1	57.9	172.8	0	0	0	0	112.5
917	K	28	Very low	28.9	Very low	164 Å²	164	149.2 Å²	149.2	71%	0.713	79%	0.789	S	S	*	*			cis	-166.7	159.3	-3.8	-109.6	177.8	-159.7	170.3	0	111.5
918	Y	26.2	Very low	29.1	Very low	207 Å²	207	145.7 Å²	145.7	81%	0.812	78%	0.782	S	S	*	*			trans	72.6	160.8	147.7	-81.1	-142.8	0	0	0	118.9
919	S	24.4	Very low	29.2	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	79%	0.788	S	S	*	*			cis	-144.9	173.9	8.5	-153.5	0	0	0	0	115.2
920	H	26.2	Very low	29.1	Very low	173 Å²	173	146.9 Å²	146.9	80%	0.801	80%	0.797	S	S	*	*			trans	-96.7	152.6	176.8	-85.4	-123.4	0	0	0	114.2
921	Q	29	Very low	29	Very low	201 Å²	201	139.8 Å²	139.8	94%	0.939	79%	0.785	S	S	*	*			trans	175.4	153.3	134.5	-98.1	158.6	84.5	0	0	111.1
922	G	27.1	Very low	29.4	Very low	59 Å²	59	142.7 Å²	142.7	61%	0.608	79%	0.788	S	S	*	*			cis	160.6	114.2	-13.8	0	0	0	0	0	115.3
923	F	24.2	Very low	28.5	Very low	214 Å²	214	142.5 Å²	142.5	94%	0.939	79%	0.79	S	S	*	*			trans	63.2	158.4	161.6	-69.2	-97.3	0	0	0	118.1
924	K	30.6	Very low	28.8	Very low	199 Å²	199	144.4 Å²	144.4	87%	0.865	79%	0.786	S	S	*	*			cis	-130.9	161.4	13.3	-68	176.7	178.2	179.8	0	113.5
925	K	31	Very low	29.1	Very low	198 Å²	198	141.7 Å²	141.7	86%	0.861	78%	0.781	S	S	*	*			trans	-97.4	163.2	161.9	-70	-179.8	176.1	176.4	0	109
926	P	39	Very low	29.3	Very low	127 Å²	127	144.3 Å²	144.3	83%	0.825	78%	0.776	S	S	*	*				-139.9	-168.6	60.1	28.7	-4.4	0	0	0	113.8
927	Y	26	Very low	29.4	Very low	208 Å²	208	145.5 Å²	145.5	82%	0.816	77%	0.772	S	S	*	*			cis	-174.4	171	-43.2	-176	-105.4	0	0	0	106.8
928	S	28.5	Very low	29.3	Very low	88 Å²	88	147.4 Å²	147.4	62%	0.615	78%	0.78	S	S	*	*			trans	65.3	105.7	178.7	-64.2	0	0	0	0	115.9
929	S	30.3	Very low	29.4	Very low	115 Å²	115	142.4 Å²	142.4	80%	0.804	77%	0.767	S	S	*	*				87.8	130.2	68.8	69.8	0	0	0	0	113.2
930	A	30.6	Very low	30.1	Very low	107 Å²	107	143.9 Å²	143.9	88%	0.884	78%	0.775	S	S	*	*			cis	-160	172.4	-6.4	0	0	0	0	0	109.5
931	G	27.4	Very low	30.8	Very low	66 Å²	66	139 Å²	139	68%	0.68	77%	0.765	S	S	*	*			trans	131.9	66.7	166.2	0	0	0	0	0	118.9
932	T	33.4	Very low	31.4	Very low	137 Å²	137	137.3 Å²	137.3	84%	0.84	76%	0.757	S	S	*	*			trans	24.6	107.7	146.2	56.5	0	0	0	0	121.3
933	S	28.7	Very low	31.9	Very low	118 Å²	118	140.6 Å²	140.6	83%	0.825	77%	0.771	S	S	*	*				164.4	156.6	125	55.9	0	0	0	0	115.3
934	R	31.4	Very low	32.8	Very low	198 Å²	198	132.8 Å²	132.8	75%	0.747	75%	0.75	S	S	*	*			trans	67.2	166.4	176.4	-120	139.3	179.1	-91.9	3	114.4
935	P	35.3	Very low	33.7	Very low	115 Å²	115	132.8 Å²	132.8	75%	0.747	75%	0.745	S	S	*	*			cis	-105.2	171.5	3.2	41.1	-28.8	0	0	0	113.5
936	Q	31.2	Very low	34.7	Very low	120 Å²	120	129.7 Å²	129.7	56%	0.561	73%	0.728	S	S	*	*				50.4	136.4	59.8	-70.8	-158.5	-7.1	0	0	113.8
937	K	28.7	Very low	36	Very low	140 Å²	140	128 Å²	128	61%	0.609	72%	0.717	S	S	*	*			cis	-166.6	158.8	3.6	-128.5	177.5	175.5	-165.2	0	109.7	D939	K937-D939 WeakPolarHBondContact CD-OD2 3.42Å; K937-D939 WeakPolarHBondContact CE-OD2 3.25Å; K937-D939 IonicContact NZ-OD2 2.65Å
938	F	26.3	Very low	38	Very low	203 Å²	203	121.5 Å²	121.5	89%	0.89	69%	0.693	S	S	*	*			trans	-152.5	138.7	147.1	-141.7	-95.4	0	0	0	110.4
939	D	28.1	Very low	40.1	Very low	102 Å²	102	119.7 Å²	119.7	55%	0.545	68%	0.683	S	S	.	*			trans	-114.9	119.9	-163.3	-87	-78.9	0	0	0	112.7	K937 A941	K937-D939 WeakPolarHBondContact CD-OD2 3.42Å; K937-D939 WeakPolarHBondContact CE-OD2 3.25Å; K937-D939 IonicContact NZ-OD2 2.65Å; D939-A941 HydrophobicContact CB-CB 4.47Å; D939-A941 PolarHBondContact O-N 2.74Å
940	P	38.9	Very low	42.4	Very low	133 Å²	133	114.3 Å²	114.3	86%	0.864	65%	0.645	S	S	*	*			trans	-93.3	75.7	170	34.5	-31.2	0	0	0	111.2
941	A	40.3	Very low	44.3	Very low	72 Å²	72	116.3 Å²	116.3	60%	0.595	64%	0.636	S	S	*	*			trans	-103.2	18.5	-161.5	0	0	0	0	0	117.5	D939	D939-A941 HydrophobicContact CB-CB 4.47Å; D939-A941 PolarHBondContact O-N 2.74Å
942	E	42.6	Very low	46.1	Very low	164 Å²	164	118.8 Å²	118.8	77%	0.766	63%	0.63	S	S	*	*			trans	-130.8	57.6	-176.1	-162.7	135	-107.7	0	0	115.9
943	S	36.6	Very low	47.8	Very low	129 Å²	129	114.6 Å²	114.6	90%	0.902	61%	0.606	S	S	*	*	S	Bend	trans	-148.3	94.9	156.6	-97	0	0	0	0	114.1
944	G	44	Very low	49.8	Very low	49 Å²	49	111.5 Å²	111.5	51%	0.505	59%	0.593	S	S	.	*			trans	87.5	67.3	168.1	0	0	0	0	0	114.6	R946	G944-R946 PolarHBondContact O-N 3.08Å
945	R	49.3	Very low	51.8	Low	200 Å²	200	107.6 Å²	107.6	76%	0.755	58%	0.581	S	S	*	*			trans	-45.4	126.6	166.4	-63.7	-172.9	-170.9	-87.1	-7.1	109.6	P947	R945-P947 WeakPolarHBondContact O-CD 3.25Å
946	R	51.3	Low	53.6	Low	133 Å²	133	105 Å²	105	50%	0.502	56%	0.563	S	S	.	*			trans	-110.7	89.4	175.6	-67.9	-166.9	-172.3	-171.1	6.7	107.5	G944 F948 T956 Y957 R958	G944-R946 PolarHBondContact O-N 3.08Å; R946-F948 PolarHBondContact O-N 3.25Å; R946-T956 VanDerWaalsContact CD-O 3.25Å; R946-T956 WeakPolarHBondContact CD-O 3.4Å; R946-T956 WeakPolarHBondContact CD-OG1 3.49Å; R946-T956 PolarHBondContact NH1-O 3.41Å; R946-Y957 CarbonylContact C-O 3.56Å; R946-R958 HydrophobicContact CG-CG 4.02Å
947	P	66.7	Low	56	Low	92 Å²	92	102.2 Å²	102.2	60%	0.597	55%	0.548	S	S	*	.			trans	-70.7	-4.7	-161.7	-20	33.6	0	0	0	115.2	R945	R945-P947 WeakPolarHBondContact O-CD 3.25Å
948	F	67.9	Low	58.2	Low	71 Å²	71	103.3 Å²	103.3	31%	0.311	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	86	-168.3	-54.5	-75.3	0	0	0	110	R946 Y957 H959 A960 L963	R946-F948 PolarHBondContact O-N 3.25Å; F948-Y957 PolarHBondContact N-O 3.48Å; F948-Y957 WeakPolarHBondContact O-CB 3.19Å; F948-Y957 PolarHBondContact O-N 3.34Å; F948-H959 VanDerWaalsContact CD2-CA 3.48Å; F948-A960 HydrophobicContact CD1-CB 3.81Å; F948-A960 VanDerWaalsContact CD2-N 3.29Å; F948-A960 HydrophobicContact CE1-CB 3.62Å; F948-A960 HydrophobicContact CE2-CB 4.48Å; F948-A960 HydrophobicContact CG-CB 4.33Å; F948-A960 HydrophobicContact CZ-CB 3.98Å; F948-L963 HydrophobicContact CB-CB 3.81Å; F948-L963 HydrophobicContact CB-CD2 3.79Å; F948-L963 HydrophobicContact CB-CG 4.41Å
949	A	73.9	Confident	60.7	Low	50 Å²	50	99.6 Å²	99.6	41%	0.413	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	154.6	173.3	0	0	0	0	0	111.7	T956 L963	A949-T956 HydrophobicContact CB-CG2 4.08Å; A949-L963 VanDerWaalsContact O-CD1 3.3Å; A949-L963 WeakPolarHBondContact O-CD1 3.33Å; A949-L963 WeakPolarHBondContact O-CD2 3.26Å
950	C	78.1	Confident	62.7	Low	1 Å²	1	97.2 Å²	97.2	1%	0.007	53%	0.528	C	S	.	.			trans	-103.6	112.9	173.6	-165.4	0	0	0	0	109.9	E952 C953 G954 K955 L963 H966 H970	C950-E952 PolarHBondContact O-N 3.35Å; C950-C953 PolarHBondContact O-N 3.24Å; C950-G954 WeakPolarHBondContact O-CA 3.47Å; C950-G954 PolarHBondContact O-N 3.07Å; C950-K955 PolarHBondContact N-O 2.81Å; C950-L963 HydrophobicContact CB-CD1 3.55Å; C950-H966 VanDerWaalsContact SG-CD2 3.55Å; C950-H970 PolarHBondContact SG-CD2 3.07Å; C950-H970 PolarHBondContact SG-NE2 3.48Å; C950-H970 VanDerWaalsContact SG-NE2 3.4Å
951	E	70.3	Confident	64.3	Low	149 Å²	149	93.5 Å²	93.5	70%	0.696	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.9	-177.8	-59.3	92.2	137.7	0	0	111.4	C953 K967	E951-C953 VanDerWaalsContact C-N 3.3Å; E951-C953 PolarHBondContact O-N 3.1Å; E951-K967 VanDerWaalsContact CD-NZ 3.27Å; E951-K967 IonicContact OE1-NZ 3.86Å; E951-K967 PolarHBondContact OE1-NZ 2.66Å; E951-K967 VanDerWaalsContact OE1-NZ 3.15Å; E951-K967 WeakPolarHBondContact OE2-CE 3.47Å; E951-K967 IonicContact OE2-NZ 3.2Å; E951-K967 PolarHBondContact OE2-NZ 3.16Å
952	E	65	Low	66.1	Low	118 Å²	118	92.5 Å²	92.5	55%	0.551	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.2	-177.5	-63.1	174.5	-102.2	0	0	114.9	C950 H970	C950-E952 PolarHBondContact O-N 3.35Å; E952-H970 IonicContact OE1-CD2 2.7Å; E952-H970 VanDerWaalsContact OE2-CB 3.3Å; E952-H970 WeakPolarHBondContact OE2-CB 3.46Å; E952-H970 IonicContact OE2-CG 2.85Å
953	C	69.8	Low	67.8	Low	49 Å²	49	85.8 Å²	85.8	33%	0.331	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159	15.9	174.1	73.5	0	0	0	0	116.9	C950 E951 K955 H966 H970	C950-C953 PolarHBondContact O-N 3.24Å; E951-C953 VanDerWaalsContact C-N 3.3Å; E951-C953 PolarHBondContact O-N 3.1Å; C953-K955 PolarHBondContact O-N 2.84Å; C953-K955 VanDerWaalsContact SG-CD 3.53Å; C953-H966 PolarHBondContact SG-NE2 2.7Å; C953-H970 PolarHBondContact SG-NE2 2.95Å
954	G	70.8	Confident	69.4	Low	54 Å²	54	82 Å²	82	56%	0.557	45%	0.448	S	S	*	.			trans	68.4	-5	178.3	0	0	0	0	0	116.8	C950 T956	C950-G954 WeakPolarHBondContact O-CA 3.47Å; C950-G954 PolarHBondContact O-N 3.07Å; G954-T956 PolarHBondContact O-N 2.59Å
955	K	72.4	Confident	70.5	Confident	116 Å²	116	83.6 Å²	83.6	50%	0.504	45%	0.445	S	S	.	.			trans	-69	128.5	-172	-70.5	172.9	-167.6	158.3	0	112	C950 C953 Y957	C950-K955 PolarHBondContact N-O 2.81Å; C953-K955 PolarHBondContact O-N 2.84Å; C953-K955 VanDerWaalsContact SG-CD 3.53Å; K955-Y957 HydrophobicContact CB-CE2 3.67Å; K955-Y957 VanDerWaalsContact O-CD2 3.31Å; K955-Y957 WeakPolarHBondContact O-CD2 3.43Å; K955-Y957 VanDerWaalsContact O-CE2 3.25Å; K955-Y957 WeakPolarHBondContact O-CE2 3.44Å
956	T	74	Confident	71.6	Confident	60 Å²	60	75 Å²	75	37%	0.368	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.7	-173.3	56.5	0	0	0	0	113.2	R946 A949 G954	R946-T956 VanDerWaalsContact CD-O 3.25Å; R946-T956 WeakPolarHBondContact CD-O 3.4Å; R946-T956 WeakPolarHBondContact CD-OG1 3.49Å; R946-T956 PolarHBondContact NH1-O 3.41Å; A949-T956 HydrophobicContact CB-CG2 4.08Å; G954-T956 PolarHBondContact O-N 2.59Å
957	Y	80.8	Confident	72.4	Confident	61 Å²	61	71.7 Å²	71.7	24%	0.239	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148.8	-174	-63.4	-89.5	0	0	0	111.9	R946 F948 K955 H959 L963 H966	R946-Y957 CarbonylContact C-O 3.56Å; F948-Y957 PolarHBondContact N-O 3.48Å; F948-Y957 WeakPolarHBondContact O-CB 3.19Å; F948-Y957 PolarHBondContact O-N 3.34Å; K955-Y957 HydrophobicContact CB-CE2 3.67Å; K955-Y957 VanDerWaalsContact O-CD2 3.31Å; K955-Y957 WeakPolarHBondContact O-CD2 3.43Å; K955-Y957 VanDerWaalsContact O-CE2 3.25Å; K955-Y957 WeakPolarHBondContact O-CE2 3.44Å; Y957-H959 VanDerWaalsContact C-N 3.34Å; Y957-L963 HydrophobicContact CD2-CB 4.33Å; Y957-L963 HydrophobicContact CD2-CD1 4.17Å; Y957-H966 HydrophobicContact CE1-CB 4.37Å; Y957-H966 HydrophobicContact CE2-CB 4.06Å; Y957-H966 AromaticContact CE2-CD2 3.3Å; Y957-H966 WeakPolarHBondContact CE2-CD2 3.04Å; Y957-H966 AromaticContact CE2-CG 3.83Å; Y957-H966 AromaticContact CZ-CD2 3.54Å; Y957-H966 AromaticContact CZ-CG 3.64Å; Y957-H966 PolarHBondContact OH-CD2 3.39Å; Y957-H966 VanDerWaalsContact OH-CG 3.24Å
958	R	76.1	Confident	72.3	Confident	164 Å²	164	70.9 Å²	70.9	62%	0.619	39%	0.393	S	S	*	.	S	Bend	trans	-75.7	-18	178.6	-76.4	-177.5	170.2	157	-1.5	114	R946	R946-R958 HydrophobicContact CG-CG 4.02Å
959	H	77.2	Confident	72	Confident	124 Å²	124	72 Å²	72	57%	0.574	40%	0.402	S	S	*	.	S	Bend	trans	-141.7	142.7	-175.4	-50.1	-64.1	0	0	0	112.3	F948 Y957 G961 S962 L963	F948-H959 VanDerWaalsContact CD2-CA 3.48Å; Y957-H959 VanDerWaalsContact C-N 3.34Å; H959-G961 VanDerWaalsContact C-N 3.28Å; H959-G961 PolarHBondContact O-N 3.45Å; H959-S962 WeakPolarHBondContact O-CB 3.42Å; H959-S962 PolarHBondContact O-N 3.17Å; H959-L963 PolarHBondContact O-N 3.13Å
960	A	70.7	Confident	71.5	Confident	53 Å²	53	71.7 Å²	71.7	44%	0.438	39%	0.392	S	S	.	.	H	α-helix	trans	-53.9	-41.6	177.4	0	0	0	0	0	112.9	F948 S962 L963 A964	F948-A960 HydrophobicContact CD1-CB 3.81Å; F948-A960 VanDerWaalsContact CD2-N 3.29Å; F948-A960 HydrophobicContact CE1-CB 3.62Å; F948-A960 HydrophobicContact CE2-CB 4.48Å; F948-A960 HydrophobicContact CG-CB 4.33Å; F948-A960 HydrophobicContact CZ-CB 3.98Å; A960-S962 VanDerWaalsContact C-N 3.29Å; A960-S962 PolarHBondContact O-N 3.23Å; A960-L963 PolarHBondContact O-N 3.47Å; A960-A964 WeakPolarHBondContact O-CB 3.27Å; A960-A964 PolarHBondContact O-N 3.35Å
961	G	72.4	Confident	70.6	Confident	54 Å²	54	78.3 Å²	78.3	56%	0.557	42%	0.421	S	S	*	.	H	α-helix	trans	-64.1	-30.5	177.3	0	0	0	0	0	113.9	H959 N965	H959-G961 VanDerWaalsContact C-N 3.28Å; H959-G961 PolarHBondContact O-N 3.45Å; G961-N965 WeakPolarHBondContact O-CB 3.42Å; G961-N965 PolarHBondContact O-N 3.35Å
962	S	78.7	Confident	69.7	Low	51 Å²	51	77.3 Å²	77.3	36%	0.357	42%	0.419	S	S	.	.	H	α-helix	trans	-72.3	-40.9	174	-53.4	0	0	0	0	111.4	H959 A960 H966	H959-S962 WeakPolarHBondContact O-CB 3.42Å; H959-S962 PolarHBondContact O-N 3.17Å; A960-S962 VanDerWaalsContact C-N 3.29Å; A960-S962 PolarHBondContact O-N 3.23Å; S962-H966 WeakPolarHBondContact O-CB 3.33Å; S962-H966 PolarHBondContact O-N 3.25Å; S962-H966 VanDerWaalsContact O-N 3.08Å
963	L	77.5	Confident	69.4	Low	23 Å²	23	72.8 Å²	72.8	12%	0.12	40%	0.404	C	S	.	.	H	α-helix	trans	-63.2	-45.4	171.7	172.8	63	0	0	0	111.4	F948 A949 C950 Y957 H959 A960 N965 H966 K967	F948-L963 HydrophobicContact CB-CB 3.81Å; F948-L963 HydrophobicContact CB-CD2 3.79Å; F948-L963 HydrophobicContact CB-CG 4.41Å; A949-L963 VanDerWaalsContact O-CD1 3.3Å; A949-L963 WeakPolarHBondContact O-CD1 3.33Å; A949-L963 WeakPolarHBondContact O-CD2 3.26Å; C950-L963 HydrophobicContact CB-CD1 3.55Å; Y957-L963 HydrophobicContact CD2-CB 4.33Å; Y957-L963 HydrophobicContact CD2-CD1 4.17Å; H959-L963 PolarHBondContact O-N 3.13Å; A960-L963 PolarHBondContact O-N 3.47Å; L963-N965 VanDerWaalsContact C-N 3.33Å; L963-N965 PolarHBondContact O-N 2.91Å; L963-H966 CarbonylContact O-C 3.1Å; L963-H966 WeakPolarHBondContact O-CA 3.33Å; L963-H966 WeakPolarHBondContact O-CB 3.45Å; L963-H966 PolarHBondContact O-N 2.8Å; L963-K967 HydrophobicContact CD1-CG 4.13Å; L963-K967 HydrophobicContact CG-CG 4.47Å; L963-K967 PolarHBondContact O-N 2.8Å
964	A	70.7	Confident	68.7	Low	49 Å²	49	78.3 Å²	78.3	41%	0.405	43%	0.425	S	S	.	.	H	α-helix	trans	-61.4	-41.2	178.6	0	0	0	0	0	111.9	A960 H966 K967 N968	A960-A964 WeakPolarHBondContact O-CB 3.27Å; A960-A964 PolarHBondContact O-N 3.35Å; A964-H966 PolarHBondContact O-N 2.76Å; A964-K967 PolarHBondContact O-N 3.38Å; A964-N968 WeakPolarHBondContact O-CB 3.42Å; A964-N968 VanDerWaalsContact O-CG 3.24Å; A964-N968 PolarHBondContact O-N 3.48Å; A964-N968 PolarHBondContact O-ND2 3.47Å
965	N	66.4	Low	68.3	Low	83 Å²	83	77.9 Å²	77.9	44%	0.444	41%	0.407	S	S	.	.	H	α-helix	trans	-65.7	-25.6	173.4	-161.1	27.3	0	0	0	112.6	G961 L963 L988	G961-N965 WeakPolarHBondContact O-CB 3.42Å; G961-N965 PolarHBondContact O-N 3.35Å; L963-N965 VanDerWaalsContact C-N 3.33Å; L963-N965 PolarHBondContact O-N 2.91Å; N965-L988 WeakPolarHBondContact OD1-CD2 3.34Å
966	H	73.4	Confident	67.9	Low	19 Å²	19	77.7 Å²	77.7	9%	0.088	41%	0.407	C	S	.	.	H	α-helix	trans	-84.2	-39	174.6	178.7	43.4	0	0	0	113.9	C950 C953 Y957 S962 L963 A964 N968 L969 H970	C950-H966 VanDerWaalsContact SG-CD2 3.55Å; C953-H966 PolarHBondContact SG-NE2 2.7Å; Y957-H966 HydrophobicContact CE1-CB 4.37Å; Y957-H966 HydrophobicContact CE2-CB 4.06Å; Y957-H966 AromaticContact CE2-CD2 3.3Å; Y957-H966 WeakPolarHBondContact CE2-CD2 3.04Å; Y957-H966 AromaticContact CE2-CG 3.83Å; Y957-H966 AromaticContact CZ-CD2 3.54Å; Y957-H966 AromaticContact CZ-CG 3.64Å; Y957-H966 PolarHBondContact OH-CD2 3.39Å; Y957-H966 VanDerWaalsContact OH-CG 3.24Å; S962-H966 WeakPolarHBondContact O-CB 3.33Å; S962-H966 PolarHBondContact O-N 3.25Å; S962-H966 VanDerWaalsContact O-N 3.08Å; L963-H966 CarbonylContact O-C 3.1Å; L963-H966 WeakPolarHBondContact O-CA 3.33Å; L963-H966 WeakPolarHBondContact O-CB 3.45Å; L963-H966 PolarHBondContact O-N 2.8Å; A964-H966 PolarHBondContact O-N 2.76Å; H966-N968 PolarHBondContact O-N 2.86Å; H966-L969 WeakPolarHBondContact O-CA 3.2Å; H966-L969 VanDerWaalsContact O-CB 3.28Å; H966-L969 WeakPolarHBondContact O-CB 3.1Å; H966-L969 PolarHBondContact O-N 3.04Å; H966-H970 AromaticContact CE1-CD2 3.94Å; H966-H970 AromaticContact CE1-NE2 3.63Å; H966-H970 AromaticContact NE2-CD2 3.9Å; H966-H970 AromaticContact NE2-NE2 3.45Å; H966-H970 PolarHBondContact NE2-NE2 2.81Å; H966-H970 PolarHBondContact O-N 3.05Å
967	K	67.8	Low	68	Low	64 Å²	64	75 Å²	75	28%	0.278	39%	0.391	S	S	.	.	H	α-helix	trans	-60.3	-32.3	166.8	-71.9	-167.2	173.3	-168.6	0	110.9	E951 L963 A964 L969 H970 K971	E951-K967 VanDerWaalsContact CD-NZ 3.27Å; E951-K967 IonicContact OE1-NZ 3.86Å; E951-K967 PolarHBondContact OE1-NZ 2.66Å; E951-K967 VanDerWaalsContact OE1-NZ 3.15Å; E951-K967 WeakPolarHBondContact OE2-CE 3.47Å; E951-K967 IonicContact OE2-NZ 3.2Å; E951-K967 PolarHBondContact OE2-NZ 3.16Å; L963-K967 HydrophobicContact CD1-CG 4.13Å; L963-K967 HydrophobicContact CG-CG 4.47Å; L963-K967 PolarHBondContact O-N 2.8Å; A964-K967 PolarHBondContact O-N 3.38Å; K967-L969 PolarHBondContact O-N 3.14Å; K967-H970 PolarHBondContact O-N 3.11Å; K967-H970 VanDerWaalsContact O-N 3.08Å; K967-K971 PolarHBondContact O-N 3.13Å; K967-K971 VanDerWaalsContact O-N 3.13Å
968	N	65.2	Low	67.3	Low	75 Å²	75	78.8 Å²	78.8	40%	0.401	42%	0.415	S	S	.	.	H	α-helix	trans	-69.5	-8.5	168.9	-72.3	-25.5	0	0	0	114.8	A964 H966 N986	A964-N968 WeakPolarHBondContact O-CB 3.42Å; A964-N968 VanDerWaalsContact O-CG 3.24Å; A964-N968 PolarHBondContact O-N 3.48Å; A964-N968 PolarHBondContact O-ND2 3.47Å; H966-N968 PolarHBondContact O-N 2.86Å; N968-N986 PolarHBondContact O-ND2 2.62Å; N968-N986 PolarHBondContact O-OD1 2.78Å; N968-N986 VanDerWaalsContact O-OD1 3.14Å
969	L	61.2	Low	66.8	Low	94 Å²	94	74.7 Å²	74.7	49%	0.492	41%	0.408	S	S	.	.	H	α-helix	trans	-89.2	-24.5	165.9	-81.8	153.6	0	0	0	112.7	H966 K967 N986	H966-L969 WeakPolarHBondContact O-CA 3.2Å; H966-L969 VanDerWaalsContact O-CB 3.28Å; H966-L969 WeakPolarHBondContact O-CB 3.1Å; H966-L969 PolarHBondContact O-N 3.04Å; K967-L969 PolarHBondContact O-N 3.14Å; L969-N986 WeakPolarHBondContact CA-ND2 3.24Å; L969-N986 HydrophobicContact CD2-CB 4.38Å; L969-N986 WeakPolarHBondContact CD2-ND2 3.5Å; L969-N986 WeakPolarHBondContact CG-ND2 3.05Å
970	H	62.3	Low	66	Low	45 Å²	45	71.1 Å²	71.1	21%	0.208	40%	0.397	C	S	.	.	H	α-helix	trans	-81.3	-18.1	173.4	-72.6	-60.7	0	0	0	114.1	C950 E952 C953 H966 K967 I972	C950-H970 PolarHBondContact SG-CD2 3.07Å; C950-H970 PolarHBondContact SG-NE2 3.48Å; C950-H970 VanDerWaalsContact SG-NE2 3.4Å; E952-H970 IonicContact OE1-CD2 2.7Å; E952-H970 VanDerWaalsContact OE2-CB 3.3Å; E952-H970 WeakPolarHBondContact OE2-CB 3.46Å; E952-H970 IonicContact OE2-CG 2.85Å; C953-H970 PolarHBondContact SG-NE2 2.95Å; H966-H970 AromaticContact CE1-CD2 3.94Å; H966-H970 AromaticContact CE1-NE2 3.63Å; H966-H970 AromaticContact NE2-CD2 3.9Å; H966-H970 AromaticContact NE2-NE2 3.45Å; H966-H970 PolarHBondContact NE2-NE2 2.81Å; H966-H970 PolarHBondContact O-N 3.05Å; K967-H970 PolarHBondContact O-N 3.11Å; K967-H970 VanDerWaalsContact O-N 3.08Å; H970-I972 PolarHBondContact O-N 3.35Å
971	K	59.8	Low	65.5	Low	139 Å²	139	74 Å²	74	60%	0.604	41%	0.405	S	S	*	.			trans	-69.7	61.4	167.5	-69.5	-173	175.6	-173	0	111.9	K967 G973	K967-K971 PolarHBondContact O-N 3.13Å; K967-K971 VanDerWaalsContact O-N 3.13Å; K971-G973 PolarHBondContact O-N 3.36Å
972	I	50.9	Low	64.6	Low	129 Å²	129	73.3 Å²	73.3	66%	0.662	39%	0.391	S	S	*	.			trans	-65.8	119.2	177.8	-63.5	169.5	0	0	0	107.9	H970	H970-I972 PolarHBondContact O-N 3.35Å
973	G	58.4	Low	63.8	Low	23 Å²	23	74.1 Å²	74.1	24%	0.237	39%	0.394	C	S	.	.			trans	-149.6	157.3	169	0	0	0	0	0	107.7	K971 Y975	K971-G973 PolarHBondContact O-N 3.36Å; G973-Y975 WeakPolarHBondContact O-CD2 3.47Å; G973-Y975 VanDerWaalsContact O-CE2 3.31Å; G973-Y975 WeakPolarHBondContact O-CE2 3.45Å; G973-Y975 PolarHBondContact O-N 3.31Å; G973-Y975 VanDerWaalsContact O-N 3.07Å
974	E	55.8	Low	63.4	Low	164 Å²	164	75.8 Å²	75.8	77%	0.766	40%	0.399	S	S	*	.			trans	-77.7	93.4	179	-71.1	-130.4	142.2	0	0	110.7	H976 T983	E974-H976 PolarHBondContact O-N 2.85Å; E974-T983 HydrophobicContact CB-CG2 3.57Å; E974-T983 HydrophobicContact CG-CG2 3.97Å
975	Y	63.3	Low	62.8	Low	46 Å²	46	77.6 Å²	77.6	18%	0.18	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	98.1	-178.8	-60.9	-66.7	0	0	0	111.3	G973 Y984 N986 R987	G973-Y975 WeakPolarHBondContact O-CD2 3.47Å; G973-Y975 VanDerWaalsContact O-CE2 3.31Å; G973-Y975 WeakPolarHBondContact O-CE2 3.45Å; G973-Y975 PolarHBondContact O-N 3.31Å; G973-Y975 VanDerWaalsContact O-N 3.07Å; Y975-Y984 WeakPolarHBondContact CB-O 3.33Å; Y975-Y984 PolarHBondContact N-O 2.97Å; Y975-Y984 PolarHBondContact O-N 3.39Å; Y975-N986 VanDerWaalsContact CD2-C 3.42Å; Y975-R987 HydrophobicContact CD1-CG 3.53Å; Y975-R987 HydrophobicContact CD2-CG 3.83Å; Y975-R987 HydrophobicContact CE1-CG 3.36Å; Y975-R987 HydrophobicContact CE2-CG 3.64Å; Y975-R987 HydrophobicContact CG-CG 3.75Å; Y975-R987 VanDerWaalsContact CZ-NE 3.34Å; Y975-R987 PolarHBondContact OH-NE 3.17Å
976	H	63.3	Low	62.9	Low	112 Å²	112	74.1 Å²	74.1	52%	0.519	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.4	174.6	56.6	-98.3	0	0	0	111.7	E974 N978	E974-H976 PolarHBondContact O-N 2.85Å; H976-N978 PolarHBondContact CD2-OD1 2.68Å
977	C	76	Confident	62.7	Low	3 Å²	3	80.6 Å²	80.6	2%	0.02	41%	0.412	C	S	.	.			trans	-90.7	128.3	168.9	171.8	0	0	0	0	110.8	V979 C980 S982 Y984 H993 L994	C977-V979 VanDerWaalsContact C-N 3.27Å; C977-V979 PolarHBondContact O-N 2.78Å; C977-C980 VanDerWaalsContact CB-O 3.26Å; C977-C980 WeakPolarHBondContact CB-O 3.45Å; C977-C980 CarbonylContact O-C 3.58Å; C977-C980 VanDerWaalsContact O-C 3.25Å; C977-S982 PolarHBondContact N-O 3.17Å; C977-Y984 HydrophobicContact CB-CE2 4.29Å; C977-H993 PolarHBondContact SG-CD2 3.28Å; C977-H993 PolarHBondContact SG-NE2 3.45Å; C977-L994 VanDerWaalsContact SG-CD2 3.51Å
978	N	66	Low	63	Low	141 Å²	141	80.6 Å²	80.6	75%	0.754	42%	0.415	S	S	*	.	S	Bend	trans	-72.5	-17.9	-176.6	-57.9	21	0	0	0	113.4	H976	H976-N978 PolarHBondContact CD2-OD1 2.68Å
979	V	66.3	Low	63.2	Low	78 Å²	78	78.7 Å²	78.7	47%	0.473	41%	0.409	S	S	.	.	S	Bend	trans	-95.9	-27.9	-177.1	-170.6	0	0	0	0	112.2	C977 L994 H997 F998	C977-V979 VanDerWaalsContact C-N 3.27Å; C977-V979 PolarHBondContact O-N 2.78Å; V979-L994 HydrophobicContact CG2-CD2 4.11Å; V979-H997 HydrophobicContact CB-CB 4.46Å; V979-H997 HydrophobicContact CG1-CB 4.07Å; V979-H997 WeakPolarHBondContact CG1-ND1 3.45Å; V979-F998 HydrophobicContact CG2-CE2 4.39Å; V979-F998 HydrophobicContact CG2-CZ 4.16Å
980	C	60.2	Low	63.9	Low	48 Å²	48	75.7 Å²	75.7	32%	0.324	39%	0.393	S	S	.	.	S	Bend	trans	-146.1	133.2	159.5	75.3	0	0	0	0	109.4	C977 S982 H993	C977-C980 VanDerWaalsContact CB-O 3.26Å; C977-C980 WeakPolarHBondContact CB-O 3.45Å; C977-C980 CarbonylContact O-C 3.58Å; C977-C980 VanDerWaalsContact O-C 3.25Å; C980-S982 PolarHBondContact O-N 3.14Å; C980-S982 PolarHBondContact SG-OG 2.98Å; C980-H993 VanDerWaalsContact SG-CE1 3.58Å; C980-H993 PolarHBondContact SG-NE2 2.89Å; C980-H993 VanDerWaalsContact SG-NE2 3.39Å
981	N	58.8	Low	64.3	Low	115 Å²	115	80 Å²	80	62%	0.615	41%	0.412	S	S	*	.			trans	-68.6	66.9	-168.1	-172.7	-0.3	0	0	0	113.2	K1146	N981-K1146 PolarHBondContact O-NZ 3.29Å
982	S	54.4	Low	64.7	Low	39 Å²	39	76.8 Å²	76.8	27%	0.273	40%	0.401	S	S	.	.			trans	-119.4	124	-177.5	-55.9	0	0	0	0	108.6	C977 C980 Y984	C977-S982 PolarHBondContact N-O 3.17Å; C980-S982 PolarHBondContact O-N 3.14Å; C980-S982 PolarHBondContact SG-OG 2.98Å; S982-Y984 WeakPolarHBondContact O-CD2 3.28Å; S982-Y984 VanDerWaalsContact O-CE2 3.3Å; S982-Y984 WeakPolarHBondContact O-CE2 3.46Å
983	T	61.8	Low	65.9	Low	68 Å²	68	71.8 Å²	71.8	42%	0.417	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.3	-179.6	-45.1	0	0	0	0	111.1	E974	E974-T983 HydrophobicContact CB-CG2 3.57Å; E974-T983 HydrophobicContact CG-CG2 3.97Å
984	Y	69.1	Low	66.5	Low	57 Å²	57	72.5 Å²	72.5	22%	0.224	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.1	175.9	-64.3	-80.6	0	0	0	110.6	Y975 C977 S982 N986 A989 M990 H993	Y975-Y984 WeakPolarHBondContact CB-O 3.33Å; Y975-Y984 PolarHBondContact N-O 2.97Å; Y975-Y984 PolarHBondContact O-N 3.39Å; C977-Y984 HydrophobicContact CB-CE2 4.29Å; S982-Y984 WeakPolarHBondContact O-CD2 3.28Å; S982-Y984 VanDerWaalsContact O-CE2 3.3Å; S982-Y984 WeakPolarHBondContact O-CE2 3.46Å; Y984-N986 PolarHBondContact O-N 2.93Å; Y984-N986 VanDerWaalsContact O-N 3.08Å; Y984-A989 HydrophobicContact CD1-CB 4.3Å; Y984-M990 HydrophobicContact CD2-CB 4.1Å; Y984-M990 HydrophobicContact CD2-CG 4.31Å; Y984-M990 HydrophobicContact CG-CB 4.37Å; Y984-H993 HydrophobicContact CE1-CB 4.25Å; Y984-H993 HydrophobicContact CE2-CB 3.91Å; Y984-H993 AromaticContact CE2-CD2 3.49Å; Y984-H993 VanDerWaalsContact CE2-CD2 3.49Å; Y984-H993 WeakPolarHBondContact CE2-CD2 3.29Å; Y984-H993 AromaticContact CE2-CG 3.62Å; Y984-H993 AromaticContact CZ-CD2 3.85Å; Y984-H993 AromaticContact CZ-CG 3.52Å; Y984-H993 AromaticContact CZ-ND1 3.86Å; Y984-H993 PolarHBondContact OH-CE1 3.27Å; Y984-H993 VanDerWaalsContact OH-CG 3.28Å; Y984-H993 PolarHBondContact OH-ND1 2.94Å; Y984-H993 VanDerWaalsContact OH-ND1 3.13Å
985	P	57.3	Low	67.3	Low	88 Å²	88	72.8 Å²	72.8	57%	0.571	37%	0.367	S	S	*	.	S	Bend	trans	-72.8	-0.2	-177.4	30.2	-36.8	0	0	0	114.2
986	N	69.1	Low	67.4	Low	10 Å²	10	75.4 Å²	75.4	5%	0.053	38%	0.383	C	S	.	.	S	Bend	trans	-152.7	137.6	177.6	178.8	-6.7	0	0	0	110.9	N968 L969 Y975 Y984 L988 A989 M990	N968-N986 PolarHBondContact O-ND2 2.62Å; N968-N986 PolarHBondContact O-OD1 2.78Å; N968-N986 VanDerWaalsContact O-OD1 3.14Å; L969-N986 WeakPolarHBondContact CA-ND2 3.24Å; L969-N986 HydrophobicContact CD2-CB 4.38Å; L969-N986 WeakPolarHBondContact CD2-ND2 3.5Å; L969-N986 WeakPolarHBondContact CG-ND2 3.05Å; Y975-N986 VanDerWaalsContact CD2-C 3.42Å; Y984-N986 PolarHBondContact O-N 2.93Å; Y984-N986 VanDerWaalsContact O-N 3.08Å; N986-L988 PolarHBondContact O-N 3.33Å; N986-L988 VanDerWaalsContact O-N 3.11Å; N986-L988 PolarHBondContact OD1-N 3.42Å; N986-A989 WeakPolarHBondContact O-CB 3.3Å; N986-A989 PolarHBondContact O-N 3.3Å; N986-M990 PolarHBondContact O-N 3.09Å
987	R	69.5	Low	67.4	Low	154 Å²	154	73 Å²	73	58%	0.581	37%	0.373	S	S	*	.	H	α-helix	trans	-47.5	-34.2	169.4	-59.4	-171	-174.7	-134.6	-2.7	113.4	Y975 K991	Y975-R987 HydrophobicContact CD1-CG 3.53Å; Y975-R987 HydrophobicContact CD2-CG 3.83Å; Y975-R987 HydrophobicContact CE1-CG 3.36Å; Y975-R987 HydrophobicContact CE2-CG 3.64Å; Y975-R987 HydrophobicContact CG-CG 3.75Å; Y975-R987 VanDerWaalsContact CZ-NE 3.34Å; Y975-R987 PolarHBondContact OH-NE 3.17Å; R987-K991 WeakPolarHBondContact O-CB 3.34Å; R987-K991 WeakPolarHBondContact O-CG 3.48Å; R987-K991 PolarHBondContact O-N 2.92Å
988	L	73.7	Confident	66.3	Low	64 Å²	64	80.3 Å²	80.3	34%	0.335	40%	0.404	S	S	.	.	H	α-helix	trans	-71.3	-38.8	177.6	-173.8	62.9	0	0	0	112.4	N965 N986 K991 N992	N965-L988 WeakPolarHBondContact OD1-CD2 3.34Å; N986-L988 PolarHBondContact O-N 3.33Å; N986-L988 VanDerWaalsContact O-N 3.11Å; N986-L988 PolarHBondContact OD1-N 3.42Å; L988-K991 PolarHBondContact O-N 3.25Å; L988-N992 WeakPolarHBondContact O-CB 3.15Å; L988-N992 PolarHBondContact O-N 3.43Å; L988-N992 PolarHBondContact O-ND2 3.13Å
989	A	69.4	Low	65.6	Low	35 Å²	35	75.5 Å²	75.5	29%	0.289	38%	0.384	S	S	.	.	H	α-helix	trans	-66.5	-42.6	173.2	0	0	0	0	0	110.7	Y984 N986 N992 H993	Y984-A989 HydrophobicContact CD1-CB 4.3Å; N986-A989 WeakPolarHBondContact O-CB 3.3Å; N986-A989 PolarHBondContact O-N 3.3Å; A989-N992 PolarHBondContact O-N 3.31Å; A989-H993 PolarHBondContact O-N 2.84Å
990	M	77.3	Confident	65.1	Low	31 Å²	31	79 Å²	79	15%	0.153	40%	0.395	C	S	.	.	H	α-helix	trans	-59	-47.3	171.8	-174.3	-160.2	74.9	0	0	112.1	Y984 N986 N992 H993 L994	Y984-M990 HydrophobicContact CD2-CB 4.1Å; Y984-M990 HydrophobicContact CD2-CG 4.31Å; Y984-M990 HydrophobicContact CG-CB 4.37Å; N986-M990 PolarHBondContact O-N 3.09Å; M990-N992 VanDerWaalsContact C-N 3.32Å; M990-N992 PolarHBondContact O-N 3.37Å; M990-H993 CarbonylContact O-C 3.53Å; M990-H993 WeakPolarHBondContact O-CB 3.48Å; M990-H993 PolarHBondContact O-N 2.87Å; M990-H993 VanDerWaalsContact O-N 3.14Å; M990-L994 HydrophobicContact CE-CD1 3.93Å; M990-L994 HydrophobicContact CG-CD1 4.24Å; M990-L994 WeakPolarHBondContact O-CG 3.37Å; M990-L994 PolarHBondContact O-N 3.04Å
991	K	69.6	Low	64.6	Low	136 Å²	136	82.7 Å²	82.7	59%	0.591	41%	0.405	S	S	*	.	H	α-helix	trans	-64.6	-33.2	176.3	-78.4	-173.8	175.3	-171.7	0	112.9	R987 L988 R995	R987-K991 WeakPolarHBondContact O-CB 3.34Å; R987-K991 WeakPolarHBondContact O-CG 3.48Å; R987-K991 PolarHBondContact O-N 2.92Å; L988-K991 PolarHBondContact O-N 3.25Å; K991-R995 PolarHBondContact O-N 2.88Å
992	N	68.8	Low	64.6	Low	71 Å²	71	84.5 Å²	84.5	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-67.1	-39.1	171.4	-72.1	-20.7	0	0	0	111.9	L988 A989 M990 R995	L988-N992 WeakPolarHBondContact O-CB 3.15Å; L988-N992 PolarHBondContact O-N 3.43Å; L988-N992 PolarHBondContact O-ND2 3.13Å; A989-N992 PolarHBondContact O-N 3.31Å; M990-N992 VanDerWaalsContact C-N 3.32Å; M990-N992 PolarHBondContact O-N 3.37Å; N992-R995 PolarHBondContact O-N 3.27Å; N992-R995 PolarHBondContact OD1-NH2 2.82Å
993	H	76.7	Confident	64.7	Low	24 Å²	24	85.5 Å²	85.5	11%	0.111	41%	0.408	C	S	.	.	H	α-helix	trans	-69.2	-37.7	173.5	167.1	74.5	0	0	0	113	C977 C980 Y984 A989 M990 R995 L996 H997	C977-H993 PolarHBondContact SG-CD2 3.28Å; C977-H993 PolarHBondContact SG-NE2 3.45Å; C980-H993 VanDerWaalsContact SG-CE1 3.58Å; C980-H993 PolarHBondContact SG-NE2 2.89Å; C980-H993 VanDerWaalsContact SG-NE2 3.39Å; Y984-H993 HydrophobicContact CE1-CB 4.25Å; Y984-H993 HydrophobicContact CE2-CB 3.91Å; Y984-H993 AromaticContact CE2-CD2 3.49Å; Y984-H993 VanDerWaalsContact CE2-CD2 3.49Å; Y984-H993 WeakPolarHBondContact CE2-CD2 3.29Å; Y984-H993 AromaticContact CE2-CG 3.62Å; Y984-H993 AromaticContact CZ-CD2 3.85Å; Y984-H993 AromaticContact CZ-CG 3.52Å; Y984-H993 AromaticContact CZ-ND1 3.86Å; Y984-H993 PolarHBondContact OH-CE1 3.27Å; Y984-H993 VanDerWaalsContact OH-CG 3.28Å; Y984-H993 PolarHBondContact OH-ND1 2.94Å; Y984-H993 VanDerWaalsContact OH-ND1 3.13Å; A989-H993 PolarHBondContact O-N 2.84Å; M990-H993 CarbonylContact O-C 3.53Å; M990-H993 WeakPolarHBondContact O-CB 3.48Å; M990-H993 PolarHBondContact O-N 2.87Å; M990-H993 VanDerWaalsContact O-N 3.14Å; H993-R995 PolarHBondContact O-N 3.35Å; H993-L996 WeakPolarHBondContact O-CA 3.19Å; H993-L996 WeakPolarHBondContact O-CB 3.3Å; H993-L996 PolarHBondContact O-N 2.86Å; H993-H997 AromaticContact CD2-NE2 3.94Å; H993-H997 AromaticContact CE1-NE2 3.4Å; H993-H997 PolarHBondContact CE1-NE2 3.46Å; H993-H997 AromaticContact NE2-CD2 3.65Å; H993-H997 AromaticContact NE2-NE2 2.99Å; H993-H997 PolarHBondContact NE2-NE2 2.93Å
994	L	69.8	Low	64.8	Low	39 Å²	39	86.7 Å²	86.7	20%	0.204	41%	0.412	C	S	.	.	H	α-helix	trans	-61.2	-33.1	175.2	-76.3	165.2	0	0	0	112.3	C977 V979 M990 L996 H997 F998	C977-L994 VanDerWaalsContact SG-CD2 3.51Å; V979-L994 HydrophobicContact CG2-CD2 4.11Å; M990-L994 HydrophobicContact CE-CD1 3.93Å; M990-L994 HydrophobicContact CG-CD1 4.24Å; M990-L994 WeakPolarHBondContact O-CG 3.37Å; M990-L994 PolarHBondContact O-N 3.04Å; L994-L996 PolarHBondContact O-N 3.01Å; L994-L996 VanDerWaalsContact O-N 3.16Å; L994-H997 PolarHBondContact O-N 3.31Å; L994-F998 HydrophobicContact CD2-CE2 4.43Å; L994-F998 WeakPolarHBondContact O-CD2 3.45Å; L994-F998 PolarHBondContact O-N 2.86Å
995	R	73.1	Confident	64.8	Low	170 Å²	170	84.1 Å²	84.1	64%	0.642	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14	169.4	-69.3	-168.6	-73.2	168.8	-4.4	113.7	K991 N992 H993 A999	K991-R995 PolarHBondContact O-N 2.88Å; N992-R995 PolarHBondContact O-N 3.27Å; N992-R995 PolarHBondContact OD1-NH2 2.82Å; H993-R995 PolarHBondContact O-N 3.35Å; R995-A999 WeakPolarHBondContact O-CB 3.41Å; R995-A999 PolarHBondContact O-N 3.46Å
996	L	64.3	Low	64.9	Low	100 Å²	100	89.4 Å²	89.4	52%	0.524	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-11.2	172.5	-51.8	176.8	0	0	0	113.6	H993 L994 R1013	H993-L996 WeakPolarHBondContact O-CA 3.19Å; H993-L996 WeakPolarHBondContact O-CB 3.3Å; H993-L996 PolarHBondContact O-N 2.86Å; L994-L996 PolarHBondContact O-N 3.01Å; L994-L996 VanDerWaalsContact O-N 3.16Å; L996-R1013 PolarHBondContact O-NH1 3.11Å; L996-R1013 VanDerWaalsContact O-NH1 3.12Å; L996-R1013 PolarHBondContact O-NH2 3.16Å
997	H	65.3	Low	64.4	Low	63 Å²	63	94.5 Å²	94.5	29%	0.292	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-54.8	169.9	-68.9	-66.8	0	0	0	110.6	V979 H993 L994 A999	V979-H997 HydrophobicContact CB-CB 4.46Å; V979-H997 HydrophobicContact CG1-CB 4.07Å; V979-H997 WeakPolarHBondContact CG1-ND1 3.45Å; H993-H997 AromaticContact CD2-NE2 3.94Å; H993-H997 AromaticContact CE1-NE2 3.4Å; H993-H997 PolarHBondContact CE1-NE2 3.46Å; H993-H997 AromaticContact NE2-CD2 3.65Å; H993-H997 AromaticContact NE2-NE2 2.99Å; H993-H997 PolarHBondContact NE2-NE2 2.93Å; L994-H997 PolarHBondContact O-N 3.31Å; H997-A999 PolarHBondContact O-N 2.77Å
998	F	52.9	Low	64	Low	156 Å²	156	88 Å²	88	68%	0.684	42%	0.421	S	S	*	.	S	Bend	trans	-82.4	-1.8	-173.7	-57.2	-73.2	0	0	0	115.9	V979 L994 Q1000	V979-F998 HydrophobicContact CG2-CE2 4.39Å; V979-F998 HydrophobicContact CG2-CZ 4.16Å; L994-F998 HydrophobicContact CD2-CE2 4.43Å; L994-F998 WeakPolarHBondContact O-CD2 3.45Å; L994-F998 PolarHBondContact O-N 2.86Å; F998-Q1000 PolarHBondContact O-N 3.28Å
999	A	51.2	Low	63.3	Low	39 Å²	39	87.8 Å²	87.8	32%	0.322	43%	0.434	S	S	.	.			trans	-76.3	94.9	176.4	0	0	0	0	0	111.4	R995 H997 K1001 R1013	R995-A999 WeakPolarHBondContact O-CB 3.41Å; R995-A999 PolarHBondContact O-N 3.46Å; H997-A999 PolarHBondContact O-N 2.77Å; A999-K1001 PolarHBondContact O-N 2.88Å; A999-R1013 PolarHBondContact O-NE 3.2Å; A999-R1013 PolarHBondContact O-NH2 3.46Å
1000	Q	54.1	Low	63	Low	153 Å²	153	90.1 Å²	90.1	72%	0.715	44%	0.438	S	S	*	.			trans	-41.6	132.4	166.4	-83.4	-179.8	-27.5	0	0	111.2	F998	F998-Q1000 PolarHBondContact O-N 3.28Å
1001	K	51.1	Low	62.6	Low	124 Å²	124	89.1 Å²	89.1	54%	0.539	44%	0.435	S	S	.	.			trans	-77.2	124.3	169.5	-66.7	159.4	164.4	-133.1	0	107.2	A999 G1011 F1012	A999-K1001 PolarHBondContact O-N 2.88Å; K1001-G1011 WeakPolarHBondContact CD-O 3.4Å; K1001-G1011 WeakPolarHBondContact CE-O 3.3Å; K1001-G1011 WeakPolarHBondContact CG-O 3.28Å; K1001-G1011 PolarHBondContact NZ-O 3.47Å; K1001-F1012 CarbonylContact C-O 3.58Å; K1001-F1012 VanDerWaalsContact CA-O 3.3Å; K1001-F1012 WeakPolarHBondContact CA-O 3.44Å
1002	K	57.6	Low	62.8	Low	154 Å²	154	84.9 Å²	84.9	67%	0.67	42%	0.417	S	S	*	.			trans	-115.4	-5.1	-174.5	-66.2	-162.5	174.7	-161.1	0	113.9	F1012	K1002-F1012 PolarHBondContact N-O 3.4Å; K1002-F1012 VanDerWaalsContact N-O 3.08Å
1003	H	58.1	Low	62.8	Low	59 Å²	59	86 Å²	86	27%	0.273	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	105.1	-175.3	-60.3	-83.9	0	0	0	107.3	F1012 Q1015 L1018	H1003-F1012 PolarHBondContact N-O 2.98Å; H1003-F1012 WeakPolarHBondContact O-CA 3.11Å; H1003-F1012 WeakPolarHBondContact O-CB 3.37Å; H1003-F1012 PolarHBondContact O-N 2.98Å; H1003-Q1015 PolarHBondContact CD2-N 3.35Å; H1003-Q1015 PolarHBondContact ND1-OE1 3.07Å; H1003-L1018 HydrophobicContact CB-CB 4.24Å; H1003-L1018 HydrophobicContact CB-CD2 3.99Å
1004	N	62.4	Low	62.5	Low	94 Å²	94	87.9 Å²	87.9	50%	0.503	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.6	-171.6	-62.2	1.6	0	0	0	110	Q1006 G1011	N1004-Q1006 PolarHBondContact O-N 2.94Å; N1004-G1011 WeakPolarHBondContact OD1-CA 3.39Å
1005	C	69.9	Low	62.6	Low	2 Å²	2	91.3 Å²	91.3	1%	0.014	44%	0.444	C	S	.	.			trans	-75.9	113.8	173.1	-165.6	0	0	0	0	109.2	E1007 C1008 G1009 K1010 F1012 L1018 H1021	C1005-E1007 VanDerWaalsContact C-N 3.31Å; C1005-E1007 PolarHBondContact O-N 2.8Å; C1005-C1008 PolarHBondContact O-N 3.47Å; C1005-C1008 VanDerWaalsContact SG-SG 3.62Å; C1005-G1009 WeakPolarHBondContact O-CA 3.38Å; C1005-G1009 PolarHBondContact O-N 3.19Å; C1005-K1010 PolarHBondContact N-O 2.76Å; C1005-F1012 HydrophobicContact CB-CE2 4.12Å; C1005-L1018 VanDerWaalsContact CA-CD1 3.45Å; C1005-L1018 HydrophobicContact CB-CD1 3.55Å; C1005-H1021 PolarHBondContact SG-ND1 3.32Å; C1005-H1021 VanDerWaalsContact SG-ND1 3.43Å
1006	Q	59.5	Low	62.5	Low	199 Å²	199	93.2 Å²	93.2	93%	0.93	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-39.4	-176.2	-72.3	176.9	-50	0	0	111.5	N1004 C1008	N1004-Q1006 PolarHBondContact O-N 2.94Å; Q1006-C1008 VanDerWaalsContact C-N 3.3Å; Q1006-C1008 PolarHBondContact O-N 3.31Å
1007	E	57.4	Low	62.7	Low	118 Å²	118	92.9 Å²	92.9	55%	0.551	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.5	-179.4	-62.1	161.2	164.8	0	0	115.3	C1005 C1027 G1029	C1005-E1007 VanDerWaalsContact C-N 3.31Å; C1005-E1007 PolarHBondContact O-N 2.8Å; E1007-C1027 HydrophobicContact CB-CB 3.98Å; E1007-C1027 WeakPolarHBondContact OE2-CB 3.45Å; E1007-C1027 PolarHBondContact OE2-SG 2.95Å; E1007-G1029 WeakPolarHBondContact O-CA 3.44Å
1008	C	62.4	Low	63.1	Low	17 Å²	17	90.7 Å²	90.7	12%	0.115	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.3	12	-176.2	69.6	0	0	0	0	116.1	C1005 Q1006 K1010 H1021	C1005-C1008 PolarHBondContact O-N 3.47Å; C1005-C1008 VanDerWaalsContact SG-SG 3.62Å; Q1006-C1008 VanDerWaalsContact C-N 3.3Å; Q1006-C1008 PolarHBondContact O-N 3.31Å; C1008-K1010 PolarHBondContact O-N 3.46Å; C1008-K1010 VanDerWaalsContact SG-CD 3.53Å; C1008-K1010 PolarHBondContact SG-NZ 2.62Å; C1008-K1010 VanDerWaalsContact SG-NZ 3.37Å; C1008-H1021 PolarHBondContact SG-CE1 3.28Å
1009	G	59.5	Low	63.9	Low	59 Å²	59	85.1 Å²	85.1	61%	0.608	42%	0.42	S	S	*	.			trans	64.8	-8.5	178.1	0	0	0	0	0	116.4	C1005 G1011	C1005-G1009 WeakPolarHBondContact O-CA 3.38Å; C1005-G1009 PolarHBondContact O-N 3.19Å; G1009-G1011 PolarHBondContact O-N 2.87Å
1010	K	63.1	Low	65	Low	85 Å²	85	87.4 Å²	87.4	37%	0.37	43%	0.43	S	S	.	.			trans	-64	108.9	-176.4	-64.1	171.6	-159.2	131	0	110	C1005 C1008 F1012 H1021 L1026	C1005-K1010 PolarHBondContact N-O 2.76Å; C1008-K1010 PolarHBondContact O-N 3.46Å; C1008-K1010 VanDerWaalsContact SG-CD 3.53Å; C1008-K1010 PolarHBondContact SG-NZ 2.62Å; C1008-K1010 VanDerWaalsContact SG-NZ 3.37Å; K1010-F1012 HydrophobicContact CB-CE2 3.75Å; K1010-F1012 HydrophobicContact CB-CZ 3.94Å; K1010-F1012 WeakPolarHBondContact O-CD2 3.33Å; K1010-F1012 WeakPolarHBondContact O-CE2 3.29Å; K1010-H1021 WeakPolarHBondContact CD-NE2 3.49Å; K1010-H1021 PolarHBondContact NZ-NE2 3.27Å; K1010-L1026 PolarHBondContact NZ-O 2.71Å
1011	G	68.3	Low	65.8	Low	10 Å²	10	81 Å²	81	10%	0.103	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.8	174.2	0	0	0	0	0	113.3	K1001 N1004 G1009	K1001-G1011 WeakPolarHBondContact CD-O 3.4Å; K1001-G1011 WeakPolarHBondContact CE-O 3.3Å; K1001-G1011 WeakPolarHBondContact CG-O 3.28Å; K1001-G1011 PolarHBondContact NZ-O 3.47Å; N1004-G1011 WeakPolarHBondContact OD1-CA 3.39Å; G1009-G1011 PolarHBondContact O-N 2.87Å
1012	F	74.4	Confident	66.6	Low	46 Å²	46	77.7 Å²	77.7	20%	0.202	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	167.3	178.7	-62.7	-84.2	0	0	0	111.8	K1001 K1002 H1003 C1005 K1010 Q1017 L1018 H1021	K1001-F1012 CarbonylContact C-O 3.58Å; K1001-F1012 VanDerWaalsContact CA-O 3.3Å; K1001-F1012 WeakPolarHBondContact CA-O 3.44Å; K1002-F1012 PolarHBondContact N-O 3.4Å; K1002-F1012 VanDerWaalsContact N-O 3.08Å; H1003-F1012 PolarHBondContact N-O 2.98Å; H1003-F1012 WeakPolarHBondContact O-CA 3.11Å; H1003-F1012 WeakPolarHBondContact O-CB 3.37Å; H1003-F1012 PolarHBondContact O-N 2.98Å; C1005-F1012 HydrophobicContact CB-CE2 4.12Å; K1010-F1012 HydrophobicContact CB-CE2 3.75Å; K1010-F1012 HydrophobicContact CB-CZ 3.94Å; K1010-F1012 WeakPolarHBondContact O-CD2 3.33Å; K1010-F1012 WeakPolarHBondContact O-CE2 3.29Å; F1012-Q1017 HydrophobicContact CB-CB 4.2Å; F1012-Q1017 HydrophobicContact CD1-CB 4.11Å; F1012-Q1017 HydrophobicContact CG-CB 4.42Å; F1012-L1018 HydrophobicContact CB-CB 4.37Å; F1012-L1018 HydrophobicContact CD2-CB 4.15Å; F1012-L1018 HydrophobicContact CD2-CD1 4.04Å; F1012-L1018 HydrophobicContact CE2-CD1 4.33Å; F1012-L1018 HydrophobicContact CG-CB 4.46Å; F1012-H1021 HydrophobicContact CE1-CB 4.36Å; F1012-H1021 HydrophobicContact CE2-CB 3.96Å; F1012-H1021 AromaticContact CE2-CG 3.81Å; F1012-H1021 HydrophobicContact CZ-CB 3.74Å; F1012-H1021 AromaticContact CZ-CD2 3.41Å; F1012-H1021 VanDerWaalsContact CZ-CD2 3.41Å; F1012-H1021 WeakPolarHBondContact CZ-CD2 3.46Å; F1012-H1021 AromaticContact CZ-CG 3.54Å
1013	R	68.8	Low	67.1	Low	94 Å²	94	76.1 Å²	76.1	36%	0.355	39%	0.394	S	S	.	.	S	Bend	trans	-99	-14.2	-174.5	-72.6	-179.1	169.5	150.2	2.9	114.6	L996 A999	L996-R1013 PolarHBondContact O-NH1 3.11Å; L996-R1013 VanDerWaalsContact O-NH1 3.12Å; L996-R1013 PolarHBondContact O-NH2 3.16Å; A999-R1013 PolarHBondContact O-NE 3.2Å; A999-R1013 PolarHBondContact O-NH2 3.46Å
1014	T	70	Confident	67.3	Low	64 Å²	64	75.9 Å²	75.9	39%	0.393	40%	0.402	S	S	.	.	S	Bend	trans	-146.1	145.2	177.9	57.4	0	0	0	0	110	R1016 Q1017 L1018	T1014-R1016 PolarHBondContact O-N 2.84Å; T1014-R1016 VanDerWaalsContact O-N 3.17Å; T1014-Q1017 PolarHBondContact O-N 2.68Å; T1014-Q1017 VanDerWaalsContact OG1-CD 3.25Å; T1014-Q1017 VanDerWaalsContact OG1-CG 3.27Å; T1014-Q1017 WeakPolarHBondContact OG1-CG 3.17Å; T1014-Q1017 PolarHBondContact OG1-OE1 3.2Å; T1014-L1018 PolarHBondContact O-N 2.93Å
1015	Q	70.6	Confident	67	Low	112 Å²	112	74.4 Å²	74.4	52%	0.523	41%	0.409	S	S	.	.	H	α-helix	trans	-55.1	-33.7	177.4	-170.4	66.3	9.5	0	0	112.6	H1003 Q1017 L1018 A1019	H1003-Q1015 PolarHBondContact CD2-N 3.35Å; H1003-Q1015 PolarHBondContact ND1-OE1 3.07Å; Q1015-Q1017 PolarHBondContact O-N 3.33Å; Q1015-L1018 PolarHBondContact O-N 3.13Å; Q1015-A1019 WeakPolarHBondContact O-CB 3.44Å; Q1015-A1019 PolarHBondContact O-N 3.5Å
1016	R	71.9	Confident	66.3	Low	210 Å²	210	79.6 Å²	79.6	79%	0.792	44%	0.436	S	S	*	.	H	α-helix	trans	-63.2	-38.1	176.3	-172.8	178.3	-67.2	170	-2.1	112.8	T1014 A1019 T1020	T1014-R1016 PolarHBondContact O-N 2.84Å; T1014-R1016 VanDerWaalsContact O-N 3.17Å; R1016-A1019 PolarHBondContact O-N 2.67Å; R1016-T1020 WeakPolarHBondContact O-CG2 3.47Å; R1016-T1020 PolarHBondContact O-N 3.23Å; R1016-T1020 PolarHBondContact O-OG1 3.46Å; R1016-T1020 VanDerWaalsContact O-OG1 3.06Å
1017	Q	68.3	Low	65.9	Low	92 Å²	92	71.4 Å²	71.4	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-70.8	-34.1	177.5	-74.6	168.1	-29.8	0	0	112.3	F1012 T1014 Q1015 T1020 H1021	F1012-Q1017 HydrophobicContact CB-CB 4.2Å; F1012-Q1017 HydrophobicContact CD1-CB 4.11Å; F1012-Q1017 HydrophobicContact CG-CB 4.42Å; T1014-Q1017 PolarHBondContact O-N 2.68Å; T1014-Q1017 VanDerWaalsContact OG1-CD 3.25Å; T1014-Q1017 VanDerWaalsContact OG1-CG 3.27Å; T1014-Q1017 WeakPolarHBondContact OG1-CG 3.17Å; T1014-Q1017 PolarHBondContact OG1-OE1 3.2Å; Q1015-Q1017 PolarHBondContact O-N 3.33Å; Q1017-T1020 WeakPolarHBondContact CA-OG1 3.47Å; Q1017-T1020 PolarHBondContact O-OG1 3.09Å; Q1017-H1021 PolarHBondContact O-N 2.99Å
1018	L	74.2	Confident	65.6	Low	18 Å²	18	74.7 Å²	74.7	9%	0.094	41%	0.413	C	S	.	.	H	α-helix	trans	-66.9	-48	171	171.1	57.3	0	0	0	110.9	H1003 C1005 F1012 T1014 Q1015 T1020 H1021 T1022	H1003-L1018 HydrophobicContact CB-CB 4.24Å; H1003-L1018 HydrophobicContact CB-CD2 3.99Å; C1005-L1018 VanDerWaalsContact CA-CD1 3.45Å; C1005-L1018 HydrophobicContact CB-CD1 3.55Å; F1012-L1018 HydrophobicContact CB-CB 4.37Å; F1012-L1018 HydrophobicContact CD2-CB 4.15Å; F1012-L1018 HydrophobicContact CD2-CD1 4.04Å; F1012-L1018 HydrophobicContact CE2-CD1 4.33Å; F1012-L1018 HydrophobicContact CG-CB 4.46Å; T1014-L1018 PolarHBondContact O-N 2.93Å; Q1015-L1018 PolarHBondContact O-N 3.13Å; L1018-T1020 VanDerWaalsContact C-N 3.35Å; L1018-T1020 PolarHBondContact O-N 3.12Å; L1018-H1021 WeakPolarHBondContact O-CA 3.48Å; L1018-H1021 VanDerWaalsContact O-CB 3.32Å; L1018-H1021 WeakPolarHBondContact O-CB 3.42Å; L1018-H1021 PolarHBondContact O-N 3.36Å; L1018-T1022 HydrophobicContact CD1-CG2 4.07Å; L1018-T1022 PolarHBondContact O-N 3.11Å; L1018-T1022 PolarHBondContact O-OG1 3.23Å
1019	A	69.6	Low	64.4	Low	39 Å²	39	76 Å²	76	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-56.6	-46.7	176.9	0	0	0	0	0	111.6	Q1015 R1016 H1021 T1022 T1023	Q1015-A1019 WeakPolarHBondContact O-CB 3.44Å; Q1015-A1019 PolarHBondContact O-N 3.5Å; R1016-A1019 PolarHBondContact O-N 2.67Å; A1019-H1021 PolarHBondContact O-N 3.11Å; A1019-H1021 VanDerWaalsContact O-N 3.15Å; A1019-T1022 PolarHBondContact O-N 3.07Å; A1019-T1022 PolarHBondContact O-OG1 3.03Å; A1019-T1022 VanDerWaalsContact O-OG1 3.13Å; A1019-T1023 WeakPolarHBondContact O-CB 3.49Å; A1019-T1023 WeakPolarHBondContact O-CG2 3.43Å; A1019-T1023 PolarHBondContact O-N 3.4Å; A1019-T1023 PolarHBondContact O-OG1 3.14Å
1020	T	72.9	Confident	63.4	Low	86 Å²	86	78.6 Å²	78.6	53%	0.528	44%	0.435	S	S	.	.	H	α-helix	trans	-68	-9.4	174.6	53.6	0	0	0	0	114.8	R1016 Q1017 L1018 A1024	R1016-T1020 WeakPolarHBondContact O-CG2 3.47Å; R1016-T1020 PolarHBondContact O-N 3.23Å; R1016-T1020 PolarHBondContact O-OG1 3.46Å; R1016-T1020 VanDerWaalsContact O-OG1 3.06Å; Q1017-T1020 WeakPolarHBondContact CA-OG1 3.47Å; Q1017-T1020 PolarHBondContact O-OG1 3.09Å; L1018-T1020 VanDerWaalsContact C-N 3.35Å; L1018-T1020 PolarHBondContact O-N 3.12Å; T1020-A1024 VanDerWaalsContact O-CB 3.26Å; T1020-A1024 WeakPolarHBondContact O-CB 3.38Å
1021	H	72.8	Confident	62.1	Low	18 Å²	18	83.9 Å²	83.9	8%	0.083	46%	0.461	C	S	.	.	H	α-helix	trans	-89.5	-44	172.5	178.3	-80	0	0	0	111	C1005 C1008 K1010 F1012 Q1017 L1018 A1019 L1026 C1027	C1005-H1021 PolarHBondContact SG-ND1 3.32Å; C1005-H1021 VanDerWaalsContact SG-ND1 3.43Å; C1008-H1021 PolarHBondContact SG-CE1 3.28Å; K1010-H1021 WeakPolarHBondContact CD-NE2 3.49Å; K1010-H1021 PolarHBondContact NZ-NE2 3.27Å; F1012-H1021 HydrophobicContact CE1-CB 4.36Å; F1012-H1021 HydrophobicContact CE2-CB 3.96Å; F1012-H1021 AromaticContact CE2-CG 3.81Å; F1012-H1021 HydrophobicContact CZ-CB 3.74Å; F1012-H1021 AromaticContact CZ-CD2 3.41Å; F1012-H1021 VanDerWaalsContact CZ-CD2 3.41Å; F1012-H1021 WeakPolarHBondContact CZ-CD2 3.46Å; F1012-H1021 AromaticContact CZ-CG 3.54Å; Q1017-H1021 PolarHBondContact O-N 2.99Å; L1018-H1021 WeakPolarHBondContact O-CA 3.48Å; L1018-H1021 VanDerWaalsContact O-CB 3.32Å; L1018-H1021 WeakPolarHBondContact O-CB 3.42Å; L1018-H1021 PolarHBondContact O-N 3.36Å; A1019-H1021 PolarHBondContact O-N 3.11Å; A1019-H1021 VanDerWaalsContact O-N 3.15Å; H1021-L1026 PolarHBondContact CE1-O 3.42Å; H1021-L1026 PolarHBondContact NE2-O 2.81Å; H1021-C1027 PolarHBondContact CE1-SG 2.6Å; H1021-C1027 PolarHBondContact ND1-SG 3.35Å; H1021-C1027 VanDerWaalsContact ND1-SG 3.36Å
1022	T	66.3	Low	60.4	Low	56 Å²	56	86.3 Å²	86.3	34%	0.344	49%	0.486	S	S	.	.	H	α-helix	trans	-70.9	-48.9	177.5	54.1	0	0	0	0	111.5	L1018 A1019 A1024 G1025	L1018-T1022 HydrophobicContact CD1-CG2 4.07Å; L1018-T1022 PolarHBondContact O-N 3.11Å; L1018-T1022 PolarHBondContact O-OG1 3.23Å; A1019-T1022 PolarHBondContact O-N 3.07Å; A1019-T1022 PolarHBondContact O-OG1 3.03Å; A1019-T1022 VanDerWaalsContact O-OG1 3.13Å; T1022-A1024 PolarHBondContact O-N 3.29Å; T1022-G1025 PolarHBondContact O-N 2.85Å; T1022-G1025 VanDerWaalsContact O-N 3.14Å
1023	T	68.1	Low	59	Low	121 Å²	121	91 Å²	91	74%	0.742	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.4	179.5	67.6	0	0	0	0	114.4	A1019	A1019-T1023 WeakPolarHBondContact O-CB 3.49Å; A1019-T1023 WeakPolarHBondContact O-CG2 3.43Å; A1019-T1023 PolarHBondContact O-N 3.4Å; A1019-T1023 PolarHBondContact O-OG1 3.14Å
1024	A	62.7	Low	57.5	Low	53 Å²	53	89.8 Å²	89.8	44%	0.438	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	5.8	177.1	0	0	0	0	0	113.2	T1020 T1022 L1026	T1020-A1024 VanDerWaalsContact O-CB 3.26Å; T1020-A1024 WeakPolarHBondContact O-CB 3.38Å; T1022-A1024 PolarHBondContact O-N 3.29Å; A1024-L1026 HydrophobicContact CB-CD1 4.23Å; A1024-L1026 HydrophobicContact CB-CG 4.02Å; A1024-L1026 PolarHBondContact O-N 3.41Å; A1024-L1026 VanDerWaalsContact O-N 3.12Å
1025	G	55.9	Low	56	Low	63 Å²	63	91 Å²	91	65%	0.649	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.9	12.3	178.6	0	0	0	0	0	114.9	T1022 C1027	T1022-G1025 PolarHBondContact O-N 2.85Å; T1022-G1025 VanDerWaalsContact O-N 3.14Å; G1025-C1027 PolarHBondContact O-N 3.04Å
1026	L	55.7	Low	54.9	Low	111 Å²	111	92.7 Å²	92.7	58%	0.581	56%	0.562	S	S	*	*			trans	-80	19.5	-174.7	-57.9	-178.4	0	0	0	113.5	K1010 H1021 A1024 K1028	K1010-L1026 PolarHBondContact NZ-O 2.71Å; H1021-L1026 PolarHBondContact CE1-O 3.42Å; H1021-L1026 PolarHBondContact NE2-O 2.81Å; A1024-L1026 HydrophobicContact CB-CD1 4.23Å; A1024-L1026 HydrophobicContact CB-CG 4.02Å; A1024-L1026 PolarHBondContact O-N 3.41Å; A1024-L1026 VanDerWaalsContact O-N 3.12Å; L1026-K1028 PolarHBondContact O-N 3.05Å
1027	C	51.4	Low	53.9	Low	28 Å²	28	87.3 Å²	87.3	19%	0.189	55%	0.547	C	S	.	.			trans	-95.2	44.6	-174.7	-64.3	0	0	0	0	113.2	E1007 H1021 G1025 G1029	E1007-C1027 HydrophobicContact CB-CB 3.98Å; E1007-C1027 WeakPolarHBondContact OE2-CB 3.45Å; E1007-C1027 PolarHBondContact OE2-SG 2.95Å; H1021-C1027 PolarHBondContact CE1-SG 2.6Å; H1021-C1027 PolarHBondContact ND1-SG 3.35Å; H1021-C1027 VanDerWaalsContact ND1-SG 3.36Å; G1025-C1027 PolarHBondContact O-N 3.04Å; C1027-G1029 PolarHBondContact O-N 3.49Å
1028	K	51.3	Low	53.3	Low	187 Å²	187	88.1 Å²	88.1	81%	0.813	55%	0.554	S	S	*	*			trans	-62.9	120.1	157.7	-64.9	-150.2	174.5	-159.6	0	108	L1026	L1026-K1028 PolarHBondContact O-N 3.05Å
1029	G	37.4	Very low	52.6	Low	43 Å²	43	91.3 Å²	91.3	44%	0.443	57%	0.568	S	S	.	*			trans	-77	179.8	-172.6	0	0	0	0	0	113.9	E1007 C1027 Q1031	E1007-G1029 WeakPolarHBondContact O-CA 3.44Å; C1027-G1029 PolarHBondContact O-N 3.49Å; G1029-Q1031 PolarHBondContact O-N 2.65Å
1030	P	38.8	Very low	52.6	Low	114 Å²	114	96.2 Å²	96.2	74%	0.74	58%	0.584	S	S	*	*			trans	-78.3	107.6	174.8	31.6	-30.5	0	0	0	110.3	G1032	P1030-G1032 PolarHBondContact O-N 3.45Å
1031	Q	34.7	Very low	52.3	Low	197 Å²	197	93 Å²	93	92%	0.921	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-67	122.2	171.6	-73.1	171.5	-39.7	0	0	110.4	G1029	G1029-Q1031 PolarHBondContact O-N 2.65Å
1032	G	32.9	Very low	51.5	Low	60 Å²	60	100.3 Å²	100.3	62%	0.619	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-81.5	168	155.7	0	0	0	0	0	110.6	P1030 G1034	P1030-G1032 PolarHBondContact O-N 3.45Å; G1032-G1034 PolarHBondContact O-N 3.26Å
1033	P	44.8	Very low	50.9	Low	145 Å²	145	100.5 Å²	100.5	94%	0.942	62%	0.618	S	S	*	*	S	Bend	trans	-79.7	118.2	-177.7	31.2	-32.9	0	0	0	112
1034	G	37.3	Very low	50.9	Low	68 Å²	68	97.3 Å²	97.3	70%	0.701	60%	0.6	S	S	*	*			trans	167.3	130.2	172.2	0	0	0	0	0	111.5	G1032	G1032-G1034 PolarHBondContact O-N 3.26Å
1035	A	39.6	Very low	50.8	Low	90 Å²	90	99.8 Å²	99.8	74%	0.744	61%	0.613	S	S	*	*			trans	57.5	122.9	-175.4	0	0	0	0	0	116.5	M1037	A1035-M1037 HydrophobicContact CB-SD 4.41Å
1036	Q	46.7	Very low	51.1	Low	147 Å²	147	102.2 Å²	102.2	69%	0.687	61%	0.607	S	S	*	*			trans	-81.3	135.4	150.5	-81.6	175.5	-127	0	0	107.6	D1038	Q1036-D1038 PolarHBondContact NE2-OD1 3.47Å; Q1036-D1038 PolarHBondContact NE2-OD2 2.81Å; Q1036-D1038 VanDerWaalsContact NE2-OD2 3.12Å
1037	M	51.3	Low	51.4	Low	98 Å²	98	98.5 Å²	98.5	48%	0.483	60%	0.596	S	S	.	*			trans	-102.6	102.3	160.1	-55	-48.7	-139.3	0	0	105.5	A1035 F1048 A1049	A1035-M1037 HydrophobicContact CB-SD 4.41Å; M1037-F1048 WeakPolarHBondContact CA-O 3.14Å; M1037-F1048 WeakPolarHBondContact CB-O 3.26Å; M1037-A1049 HydrophobicContact CE-CB 4.24Å; M1037-A1049 VanDerWaalsContact SD-CA 3.56Å; M1037-A1049 HydrophobicContact SD-CB 3.72Å
1038	D	55.2	Low	52	Low	108 Å²	108	98.9 Å²	98.9	58%	0.578	60%	0.595	S	S	*	*			trans	-92.8	0.8	-174.3	-68.9	-41.9	0	0	0	112.7	Q1036	Q1036-D1038 PolarHBondContact NE2-OD1 3.47Å; Q1036-D1038 PolarHBondContact NE2-OD2 2.81Å; Q1036-D1038 VanDerWaalsContact NE2-OD2 3.12Å
1039	F	59.8	Low	52.8	Low	86 Å²	86	92.2 Å²	92.2	38%	0.377	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.1	125.4	-178.3	-57.4	-80.4	0	0	0	110.7	G1047 F1048 A1051 L1054	F1039-G1047 CarbonylContact O-C 3.52Å; F1039-G1047 WeakPolarHBondContact O-CA 3.5Å; F1039-F1048 PolarHBondContact O-N 3.39Å; F1039-A1051 HydrophobicContact CD1-CB 4.25Å; F1039-A1051 HydrophobicContact CE1-CB 3.97Å; F1039-A1051 HydrophobicContact CE2-CB 4.28Å; F1039-A1051 HydrophobicContact CZ-CB 3.99Å; F1039-L1054 HydrophobicContact CB-CB 4.49Å; F1039-L1054 HydrophobicContact CB-CD2 3.89Å
1040	E	69.8	Low	54.3	Low	142 Å²	142	93.2 Å²	93.2	66%	0.664	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.4	142.1	178	-65.2	-176.4	151.2	0	0	109.8	E1046	E1040-E1046 CarbonylContact C-O 3.4Å; E1040-E1046 WeakPolarHBondContact CA-O 3.37Å
1041	C	66.3	Low	55.7	Low	19 Å²	19	90.2 Å²	90.2	13%	0.128	56%	0.556	C	S	.	*			trans	-84.2	114	177.4	-176.7	0	0	0	0	111.1	G1043 C1044 C1045 E1046 F1048 L1054	C1041-G1043 PolarHBondContact O-N 2.9Å; C1041-C1044 VanDerWaalsContact CB-SG 3.56Å; C1041-C1044 PolarHBondContact O-N 2.8Å; C1041-C1044 VanDerWaalsContact SG-SG 3.63Å; C1041-C1045 VanDerWaalsContact O-CA 3.25Å; C1041-C1045 WeakPolarHBondContact O-CA 3.43Å; C1041-C1045 PolarHBondContact O-N 2.82Å; C1041-E1046 PolarHBondContact N-O 3.45Å; C1041-F1048 HydrophobicContact CB-CE2 4.07Å; C1041-L1054 HydrophobicContact CB-CD1 3.55Å
1042	D	56.4	Low	57.2	Low	170 Å²	170	86.9 Å²	86.9	91%	0.909	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.9	179	-87.6	-38.6	0	0	0	114.2
1043	G	53.6	Low	58.8	Low	61 Å²	61	88.6 Å²	88.6	63%	0.629	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-49	178.6	0	0	0	0	0	114.7	C1041	C1041-G1043 PolarHBondContact O-N 2.9Å
1044	C	67.3	Low	59.8	Low	53 Å²	53	83.8 Å²	83.8	36%	0.358	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-10.2	-176.2	59.8	0	0	0	0	114.5	C1041 E1046 H1057	C1041-C1044 VanDerWaalsContact CB-SG 3.56Å; C1041-C1044 PolarHBondContact O-N 2.8Å; C1041-C1044 VanDerWaalsContact SG-SG 3.63Å; C1044-E1046 HydrophobicContact CB-CG 4.45Å; C1044-E1046 PolarHBondContact O-N 3.43Å; C1044-H1057 VanDerWaalsContact SG-CE1 3.51Å
1045	C	61	Low	60.9	Low	106 Å²	106	85 Å²	85	72%	0.716	50%	0.501	S	S	*	.			trans	60	24.8	-173.7	-61.6	0	0	0	0	115.1	C1041	C1041-C1045 VanDerWaalsContact O-CA 3.25Å; C1041-C1045 WeakPolarHBondContact O-CA 3.43Å; C1041-C1045 PolarHBondContact O-N 2.82Å
1046	E	62.3	Low	62.3	Low	113 Å²	113	84.7 Å²	84.7	53%	0.528	50%	0.498	S	S	.	.			trans	-82.4	149.8	167.3	-60.9	-160.8	150.7	0	0	111.1	E1040 C1041 C1044 F1048	E1040-E1046 CarbonylContact C-O 3.4Å; E1040-E1046 WeakPolarHBondContact CA-O 3.37Å; C1041-E1046 PolarHBondContact N-O 3.45Å; C1044-E1046 HydrophobicContact CB-CG 4.45Å; C1044-E1046 PolarHBondContact O-N 3.43Å; E1046-F1048 HydrophobicContact CB-CE2 3.91Å; E1046-F1048 HydrophobicContact CB-CZ 3.92Å; E1046-F1048 WeakPolarHBondContact O-CE2 3.3Å
1047	G	62.2	Low	63.4	Low	34 Å²	34	79.9 Å²	79.9	35%	0.351	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.5	-172.8	0	0	0	0	0	112.4	F1039	F1039-G1047 CarbonylContact O-C 3.52Å; F1039-G1047 WeakPolarHBondContact O-CA 3.5Å
1048	F	64.3	Low	63.8	Low	36 Å²	36	82 Å²	82	16%	0.158	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.5	-168.7	-57.9	-90.3	0	0	0	110.8	M1037 F1039 C1041 E1046 E1053 L1054 H1057	M1037-F1048 WeakPolarHBondContact CA-O 3.14Å; M1037-F1048 WeakPolarHBondContact CB-O 3.26Å; F1039-F1048 PolarHBondContact O-N 3.39Å; C1041-F1048 HydrophobicContact CB-CE2 4.07Å; E1046-F1048 HydrophobicContact CB-CE2 3.91Å; E1046-F1048 HydrophobicContact CB-CZ 3.92Å; E1046-F1048 WeakPolarHBondContact O-CE2 3.3Å; F1048-E1053 HydrophobicContact CB-CB 4.1Å; F1048-E1053 HydrophobicContact CD1-CB 4.06Å; F1048-E1053 HydrophobicContact CG-CB 4.44Å; F1048-L1054 HydrophobicContact CB-CB 4.29Å; F1048-L1054 HydrophobicContact CD2-CB 4.09Å; F1048-L1054 HydrophobicContact CD2-CD1 3.78Å; F1048-L1054 HydrophobicContact CD2-CG 4.49Å; F1048-L1054 HydrophobicContact CE2-CD1 3.91Å; F1048-L1054 HydrophobicContact CG-CB 4.25Å; F1048-H1057 HydrophobicContact CE1-CB 4.13Å; F1048-H1057 HydrophobicContact CZ-CB 3.93Å; F1048-H1057 AromaticContact CZ-CD2 3.5Å; F1048-H1057 VanDerWaalsContact CZ-CD2 3.5Å; F1048-H1057 WeakPolarHBondContact CZ-CD2 3.38Å; F1048-H1057 AromaticContact CZ-CG 3.74Å
1049	A	67.1	Low	64.1	Low	46 Å²	46	77.3 Å²	77.3	38%	0.38	47%	0.465	S	S	.	.	S	Bend	trans	-77.9	-30.5	-177.6	0	0	0	0	0	111.9	M1037 E1053	M1037-A1049 HydrophobicContact CE-CB 4.24Å; M1037-A1049 VanDerWaalsContact SD-CA 3.56Å; M1037-A1049 HydrophobicContact SD-CB 3.72Å; A1049-E1053 WeakPolarHBondContact CB-OE2 3.35Å; A1049-E1053 PolarHBondContact N-OE2 3.09Å
1050	T	69.2	Low	63.6	Low	64 Å²	64	79.5 Å²	79.5	39%	0.393	49%	0.487	S	S	.	.	S	Bend	trans	-130.8	160.1	-177.2	66.5	0	0	0	0	112.4	D1052 E1053 L1054	T1050-D1052 VanDerWaalsContact C-N 3.31Å; T1050-E1053 WeakPolarHBondContact CB-OE2 3.31Å; T1050-E1053 PolarHBondContact N-OE2 3.08Å; T1050-E1053 VanDerWaalsContact OG1-CD 3.25Å; T1050-E1053 VanDerWaalsContact OG1-CG 3.24Å; T1050-E1053 WeakPolarHBondContact OG1-CG 3.43Å; T1050-E1053 PolarHBondContact OG1-N 3.28Å; T1050-E1053 PolarHBondContact OG1-OE2 3.03Å; T1050-L1054 PolarHBondContact O-N 3.42Å
1051	A	67.1	Low	62.8	Low	51 Å²	51	76.8 Å²	76.8	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-68.4	-28.6	175.4	0	0	0	0	0	113.1	F1039 L1054 S1055	F1039-A1051 HydrophobicContact CD1-CB 4.25Å; F1039-A1051 HydrophobicContact CE1-CB 3.97Å; F1039-A1051 HydrophobicContact CE2-CB 4.28Å; F1039-A1051 HydrophobicContact CZ-CB 3.99Å; A1051-L1054 PolarHBondContact O-N 2.86Å; A1051-S1055 WeakPolarHBondContact O-CB 3.41Å; A1051-S1055 PolarHBondContact O-N 3.24Å
1052	D	67.4	Low	61.9	Low	128 Å²	128	83 Å²	83	68%	0.684	52%	0.517	S	S	*	.	H	α-helix	trans	-72.1	-37.6	176.8	-80.7	-19.4	0	0	0	112.2	T1050 L1054 S1055 A1056	T1050-D1052 VanDerWaalsContact C-N 3.31Å; D1052-L1054 VanDerWaalsContact C-N 3.3Å; D1052-L1054 PolarHBondContact O-N 3.02Å; D1052-S1055 WeakPolarHBondContact CA-OG 3.48Å; D1052-S1055 PolarHBondContact O-N 3.21Å; D1052-S1055 PolarHBondContact O-OG 2.82Å; D1052-A1056 WeakPolarHBondContact O-CB 3.42Å; D1052-A1056 PolarHBondContact O-N 2.82Å
1053	E	65.8	Low	61	Low	95 Å²	95	83.2 Å²	83.2	44%	0.444	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-36.2	173.3	-70.2	162.4	132.6	0	0	111.8	F1048 A1049 T1050 H1057	F1048-E1053 HydrophobicContact CB-CB 4.1Å; F1048-E1053 HydrophobicContact CD1-CB 4.06Å; F1048-E1053 HydrophobicContact CG-CB 4.44Å; A1049-E1053 WeakPolarHBondContact CB-OE2 3.35Å; A1049-E1053 PolarHBondContact N-OE2 3.09Å; T1050-E1053 WeakPolarHBondContact CB-OE2 3.31Å; T1050-E1053 PolarHBondContact N-OE2 3.08Å; T1050-E1053 VanDerWaalsContact OG1-CD 3.25Å; T1050-E1053 VanDerWaalsContact OG1-CG 3.24Å; T1050-E1053 WeakPolarHBondContact OG1-CG 3.43Å; T1050-E1053 PolarHBondContact OG1-N 3.28Å; T1050-E1053 PolarHBondContact OG1-OE2 3.03Å; E1053-H1057 PolarHBondContact O-N 3.49Å
1054	L	65.9	Low	59.9	Low	45 Å²	45	87.5 Å²	87.5	24%	0.236	52%	0.52	C	S	.	.	H	α-helix	trans	-70.3	-32.4	172.8	176.7	59.9	0	0	0	112.4	F1039 C1041 F1048 T1050 A1051 D1052	F1039-L1054 HydrophobicContact CB-CB 4.49Å; F1039-L1054 HydrophobicContact CB-CD2 3.89Å; C1041-L1054 HydrophobicContact CB-CD1 3.55Å; F1048-L1054 HydrophobicContact CB-CB 4.29Å; F1048-L1054 HydrophobicContact CD2-CB 4.09Å; F1048-L1054 HydrophobicContact CD2-CD1 3.78Å; F1048-L1054 HydrophobicContact CD2-CG 4.49Å; F1048-L1054 HydrophobicContact CE2-CD1 3.91Å; F1048-L1054 HydrophobicContact CG-CB 4.25Å; T1050-L1054 PolarHBondContact O-N 3.42Å; A1051-L1054 PolarHBondContact O-N 2.86Å; D1052-L1054 VanDerWaalsContact C-N 3.3Å; D1052-L1054 PolarHBondContact O-N 3.02Å
1055	S	61	Low	58.4	Low	93 Å²	93	90.9 Å²	90.9	65%	0.65	54%	0.541	S	S	*	.	H	α-helix	trans	-76.6	-29.5	177.9	79.5	0	0	0	0	112.8	A1051 D1052	A1051-S1055 WeakPolarHBondContact O-CB 3.41Å; A1051-S1055 PolarHBondContact O-N 3.24Å; D1052-S1055 WeakPolarHBondContact CA-OG 3.48Å; D1052-S1055 PolarHBondContact O-N 3.21Å; D1052-S1055 PolarHBondContact O-OG 2.82Å
1056	A	67.9	Low	57.1	Low	84 Å²	84	91.5 Å²	91.5	69%	0.694	55%	0.547	S	S	*	.	H	α-helix	trans	-83.7	-9.6	175	0	0	0	0	0	114.1	D1052 D1058	D1052-A1056 WeakPolarHBondContact O-CB 3.42Å; D1052-A1056 PolarHBondContact O-N 2.82Å; A1056-D1058 PolarHBondContact O-N 2.94Å; A1056-D1058 VanDerWaalsContact O-N 3.14Å
1057	H	69.6	Low	55.4	Low	46 Å²	46	91.7 Å²	91.7	21%	0.213	56%	0.56	C	S	.	*			trans	-75.8	98.1	174.4	169	-77.1	0	0	0	110.7	C1044 F1048 E1053 C1059	C1044-H1057 VanDerWaalsContact SG-CE1 3.51Å; F1048-H1057 HydrophobicContact CE1-CB 4.13Å; F1048-H1057 HydrophobicContact CZ-CB 3.93Å; F1048-H1057 AromaticContact CZ-CD2 3.5Å; F1048-H1057 VanDerWaalsContact CZ-CD2 3.5Å; F1048-H1057 WeakPolarHBondContact CZ-CD2 3.38Å; F1048-H1057 AromaticContact CZ-CG 3.74Å; E1053-H1057 PolarHBondContact O-N 3.49Å; H1057-C1059 PolarHBondContact O-N 3.48Å
1058	D	61.4	Low	53.6	Low	141 Å²	141	95 Å²	95	75%	0.754	58%	0.578	S	S	*	*			trans	-74.5	107.2	175.8	-153.9	-40.9	0	0	0	110.8	A1056	A1056-D1058 PolarHBondContact O-N 2.94Å; A1056-D1058 VanDerWaalsContact O-N 3.14Å
1059	C	61.2	Low	51.8	Low	11 Å²	11	98.2 Å²	98.2	7%	0.074	61%	0.605	C	S	.	*			trans	-89.7	121.8	-173.2	-171.5	0	0	0	0	110.6	H1057 A1061 Q1062	H1057-C1059 PolarHBondContact O-N 3.48Å; C1059-A1061 PolarHBondContact O-N 2.85Å; C1059-Q1062 PolarHBondContact O-N 3.38Å
1060	P	49.8	Very low	49.9	Very low	131 Å²	131	101.9 Å²	101.9	85%	0.851	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	9.6	-172.9	27.3	-36.1	0	0	0	115.6
1061	A	52.2	Low	47.9	Very low	86 Å²	86	103.9 Å²	103.9	71%	0.711	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-2.1	173	0	0	0	0	0	114.2	C1059	C1059-A1061 PolarHBondContact O-N 2.85Å
1062	Q	47.9	Very low	45.8	Very low	150 Å²	150	107 Å²	107	70%	0.701	66%	0.658	S	S	*	*			trans	-88.9	-1.3	-169.2	-67.2	-159.6	26.4	0	0	116.9	C1059 L1064	C1059-Q1062 PolarHBondContact O-N 3.38Å; Q1062-L1064 PolarHBondContact O-N 3.12Å
1063	H	37.1	Very low	44.2	Very low	174 Å²	174	106.9 Å²	106.9	81%	0.806	67%	0.667	S	S	*	*			trans	-79.6	112.2	-177.4	-95.8	-88.1	0	0	0	114
1064	L	29.5	Very low	42.3	Very low	151 Å²	151	107 Å²	107	79%	0.791	68%	0.684	S	S	*	*	S	Bend	trans	83.1	141	165.1	-50	173.4	0	0	0	116.3	Q1062	Q1062-L1064 PolarHBondContact O-N 3.12Å
1065	P	37.3	Very low	40.5	Very low	123 Å²	123	112.1 Å²	112.1	80%	0.799	71%	0.712	S	S	*	*				-127.3	159.1	-75.7	19.9	1.4	0	0	0	114.2
1066	S	31.9	Very low	39	Very low	120 Å²	120	115 Å²	115	84%	0.839	72%	0.718	S	S	*	*			trans	-82.5	147.7	-173.7	-63.5	0	0	0	0	115.5
1067	S	26.7	Very low	36.9	Very low	116 Å²	116	116 Å²	116	81%	0.811	72%	0.72	S	S	*	*			trans	-155.9	97.7	157.4	-64.2	0	0	0	0	113.4
1068	S	25.8	Very low	35.5	Very low	104 Å²	104	121.8 Å²	121.8	73%	0.727	75%	0.749	S	S	*	*			trans	32.4	111.8	141.7	58.3	0	0	0	0	122.7
1069	S	26.7	Very low	34	Very low	104 Å²	104	123.1 Å²	123.1	73%	0.727	75%	0.751	S	S	*	*				89.1	157.5	116.9	80.6	0	0	0	0	123.2
1070	T	26.2	Very low	32.4	Very low	123 Å²	123	133.7 Å²	133.7	76%	0.755	79%	0.79	S	S	*	*			trans	78.1	94.6	162.4	64.4	0	0	0	0	121.7
1071	S	27.1	Very low	31.4	Very low	106 Å²	106	132 Å²	132	74%	0.741	78%	0.781	S	S	*	*				77.1	160.4	123.1	85.2	0	0	0	0	122.5
1072	S	24.3	Very low	30.6	Very low	117 Å²	117	132.3 Å²	132.3	82%	0.818	78%	0.778	S	S	*	*			trans	85.5	152	152	-56.6	0	0	0	0	119.2
1073	S	32.3	Very low	30	Very low	124 Å²	124	132.4 Å²	132.4	87%	0.867	79%	0.789	S	S	*	*			trans	-109.2	138.7	-170.7	-57.7	0	0	0	0	111.6
1074	A	26.5	Very low	29.9	Very low	97 Å²	97	130.4 Å²	130.4	80%	0.802	78%	0.784	S	S	*	*			trans	173.4	132	136.1	0	0	0	0	0	113.6
1075	N	28.7	Very low	30.3	Very low	154 Å²	154	132.1 Å²	132.1	82%	0.824	79%	0.79	S	S	*	*				27.7	147.4	128.7	-105.4	-6.8	0	0	0	123.4
1076	I	28	Very low	30.2	Very low	152 Å²	152	132.1 Å²	132.1	78%	0.779	78%	0.783	S	S	*	*			trans	96	99.9	154.5	-64	162.4	0	0	0	118.8
1077	S	25.8	Very low	30.5	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	78%	0.777	S	S	*	*				77.5	170	129.1	-146.6	0	0	0	0	123
1078	M	38.6	Very low	31.4	Very low	168 Å²	168	129.5 Å²	129.5	83%	0.828	76%	0.759	S	S	*	*			trans	-66.3	162.5	179.1	-37.7	168.1	-170.2	0	0	111.1
1079	E	29.7	Very low	33	Very low	170 Å²	170	131.6 Å²	131.6	79%	0.794	76%	0.757	S	S	*	*			cis	-141	169.9	14	-52.4	177.3	118.7	0	0	111.3
1080	R	27.9	Very low	34.7	Very low	232 Å²	232	131.5 Å²	131.5	88%	0.875	74%	0.741	S	S	*	*				-174.9	131.1	114.4	176.3	145.9	-79.2	-145.1	-3.9	112.7
1081	S	28.5	Very low	36.8	Very low	95 Å²	95	129 Å²	129	66%	0.664	73%	0.727	S	S	*	*			trans	-66.1	168.1	165.8	-13.1	0	0	0	0	111.7
1082	S	37.1	Very low	38.9	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	71%	0.71	S	S	*	*			cis	-179.4	130.4	-14.5	40.5	0	0	0	0	106.9
1083	V	33.6	Very low	41.4	Very low	153 Å²	153	125.4 Å²	125.4	93%	0.927	69%	0.69	S	S	*	*			trans	-137.7	101	163.8	-80.3	0	0	0	0	108.8
1084	D	36.8	Very low	43.7	Very low	132 Å²	132	119.6 Å²	119.6	71%	0.706	65%	0.649	S	S	*	*			trans	-86.5	137.1	179.1	-86.2	-84.8	0	0	0	111.6
1085	M	37.3	Very low	45.9	Very low	187 Å²	187	121.1 Å²	121.1	92%	0.921	64%	0.644	S	S	*	*			trans	-138	138.7	138.2	-92.8	-60.6	104.2	0	0	109
1086	D	34.8	Very low	47.8	Very low	123 Å²	123	119.4 Å²	119.4	66%	0.658	63%	0.634	S	S	*	*			trans	-95.7	167.5	-149.3	173.7	-104.6	0	0	0	115.6
1087	S	37.9	Very low	50	Low	102 Å²	102	114.5 Å²	114.5	71%	0.713	61%	0.613	S	S	*	*			trans	125.8	44.2	149.3	-77.6	0	0	0	0	115.6
1088	D	46.9	Very low	51.9	Low	78 Å²	78	114.3 Å²	114.3	42%	0.417	61%	0.611	S	S	.	*			trans	-120.9	51.3	158.1	-163.9	26.2	0	0	0	111.3	R1090 K1102	D1088-R1090 PolarHBondContact O-N 3.2Å; D1088-R1090 PolarHBondContact O-NH1 3.06Å; D1088-R1090 IonicContact OD1-NH1 3.76Å; D1088-R1090 IonicContact OD2-CZ 3.28Å; D1088-R1090 VanDerWaalsContact OD2-CZ 3.25Å; D1088-R1090 IonicContact OD2-NH1 3.66Å; D1088-R1090 PolarHBondContact OD2-NH1 2.88Å; D1088-R1090 IonicContact OD2-NH2 3.71Å; D1088-R1090 PolarHBondContact OD2-NH2 3.3Å; D1088-K1102 WeakPolarHBondContact OD1-CE 3.02Å; D1088-K1102 IonicContact OD1-NZ 2.67Å; D1088-K1102 PolarHBondContact OD1-NZ 3.3Å; D1088-K1102 WeakPolarHBondContact OD2-CE 3.38Å; D1088-K1102 IonicContact OD2-NZ 2.6Å; D1088-K1102 PolarHBondContact OD2-NZ 3.27Å
1089	E	57.9	Low	53.6	Low	148 Å²	148	109 Å²	109	69%	0.692	59%	0.59	S	S	*	*			trans	-49.4	122.7	-174.1	-156.2	-163.1	-168.2	0	0	111.9	P1091	E1089-P1091 HydrophobicContact CG-CB 4.48Å; E1089-P1091 HydrophobicContact CG-CG 4.43Å; E1089-P1091 WeakPolarHBondContact O-CD 3.27Å
1090	R	62.7	Low	55.8	Low	102 Å²	102	104.4 Å²	104.4	39%	0.385	57%	0.574	S	S	.	*			trans	-112.4	63	176.6	-70.1	166.3	177.2	65.5	-5	110.9	D1088 Y1092 T1100 Y1101 K1102	D1088-R1090 PolarHBondContact O-N 3.2Å; D1088-R1090 PolarHBondContact O-NH1 3.06Å; D1088-R1090 IonicContact OD1-NH1 3.76Å; D1088-R1090 IonicContact OD2-CZ 3.28Å; D1088-R1090 VanDerWaalsContact OD2-CZ 3.25Å; D1088-R1090 IonicContact OD2-NH1 3.66Å; D1088-R1090 PolarHBondContact OD2-NH1 2.88Å; D1088-R1090 IonicContact OD2-NH2 3.71Å; D1088-R1090 PolarHBondContact OD2-NH2 3.3Å; R1090-Y1092 PolarHBondContact O-N 3.44Å; R1090-T1100 WeakPolarHBondContact CD-OG1 3.44Å; R1090-Y1101 CarbonylContact C-O 3.59Å; R1090-K1102 HydrophobicContact CG-CG 3.89Å
1091	P	70.9	Confident	58.3	Low	72 Å²	72	96.2 Å²	96.2	47%	0.468	54%	0.543	S	S	.	.			trans	-71.2	8.3	-167.3	31.1	-37.3	0	0	0	114.9	E1089	E1089-P1091 HydrophobicContact CG-CB 4.48Å; E1089-P1091 HydrophobicContact CG-CG 4.43Å; E1089-P1091 WeakPolarHBondContact O-CD 3.27Å
1092	Y	69.8	Low	60.6	Low	98 Å²	98	96.4 Å²	96.4	38%	0.384	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	76.1	179.2	-54.5	-76.1	0	0	0	110.6	R1090 Y1101 H1103 A1104	R1090-Y1092 PolarHBondContact O-N 3.44Å; Y1092-Y1101 WeakPolarHBondContact CB-O 3.42Å; Y1092-Y1101 PolarHBondContact N-O 3.44Å; Y1092-Y1101 PolarHBondContact O-N 2.85Å; Y1092-H1103 VanDerWaalsContact CD2-C 3.45Å; Y1092-A1104 HydrophobicContact CD1-CB 3.72Å; Y1092-A1104 VanDerWaalsContact CD2-N 3.31Å; Y1092-A1104 HydrophobicContact CE1-CB 3.55Å; Y1092-A1104 HydrophobicContact CE2-CB 4.44Å; Y1092-A1104 HydrophobicContact CG-CB 4.25Å
1093	A	78.4	Confident	62.6	Low	48 Å²	48	97.4 Å²	97.4	40%	0.397	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	155.1	174.3	0	0	0	0	0	113.1	C1099 T1100 L1107	A1093-C1099 CarbonylContact C-O 3.46Å; A1093-T1100 HydrophobicContact CB-CG2 4.06Å; A1093-L1107 VanDerWaalsContact O-CD1 3.25Å; A1093-L1107 WeakPolarHBondContact O-CD1 3.49Å; A1093-L1107 WeakPolarHBondContact O-CD2 3.19Å
1094	C	80.3	Confident	64.6	Low	2 Å²	2	92.6 Å²	92.6	1%	0.014	50%	0.502	C	S	.	.			trans	-103.8	109.6	175.6	-166.2	0	0	0	0	112.9	L1096 C1097 S1098 C1099 Y1101 L1107 H1110 H1114	C1094-L1096 PolarHBondContact O-N 2.84Å; C1094-C1097 PolarHBondContact O-N 3.27Å; C1094-C1097 VanDerWaalsContact O-N 3.13Å; C1094-S1098 VanDerWaalsContact O-CA 3.28Å; C1094-S1098 WeakPolarHBondContact O-CA 3.47Å; C1094-S1098 PolarHBondContact O-N 2.61Å; C1094-C1099 PolarHBondContact N-O 3.35Å; C1094-Y1101 HydrophobicContact CB-CE2 4.48Å; C1094-L1107 HydrophobicContact CB-CD1 3.64Å; C1094-H1110 WeakPolarHBondContact CB-NE2 3.5Å; C1094-H1110 PolarHBondContact SG-CD2 3.44Å; C1094-H1110 PolarHBondContact SG-NE2 2.82Å; C1094-H1114 VanDerWaalsContact SG-CD2 3.52Å
1095	D	73.1	Confident	66.3	Low	129 Å²	129	89.8 Å²	89.8	69%	0.69	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-0.7	178.3	3	-52	0	0	0	115.9	K1111	D1095-K1111 WeakPolarHBondContact OD1-CE 3.46Å; D1095-K1111 IonicContact OD1-NZ 2.62Å; D1095-K1111 PolarHBondContact OD1-NZ 3.1Å; D1095-K1111 IonicContact OD2-NZ 3.73Å; D1095-K1111 PolarHBondContact OD2-NZ 3.44Å
1096	L	67.1	Low	68.4	Low	118 Å²	118	83.1 Å²	83.1	62%	0.618	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-10.7	-179.8	-62.5	175.5	0	0	0	114.6	C1094 H1114	C1094-L1096 PolarHBondContact O-N 2.84Å; L1096-H1114 HydrophobicContact CB-CB 4.49Å; L1096-H1114 HydrophobicContact CD1-CB 3.57Å
1097	C	74.9	Confident	70.5	Confident	49 Å²	49	78.2 Å²	78.2	33%	0.331	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159	24.6	173.5	71.6	0	0	0	0	114	C1094 C1099 H1110 H1114	C1094-C1097 PolarHBondContact O-N 3.27Å; C1094-C1097 VanDerWaalsContact O-N 3.13Å; C1097-C1099 PolarHBondContact O-N 3.29Å; C1097-C1099 PolarHBondContact O-SG 3.41Å; C1097-C1099 VanDerWaalsContact O-SG 3.39Å; C1097-H1110 VanDerWaalsContact SG-CE1 3.51Å; C1097-H1110 PolarHBondContact SG-NE2 3.44Å; C1097-H1114 VanDerWaalsContact SG-CE1 3.57Å; C1097-H1114 PolarHBondContact SG-NE2 2.87Å
1098	S	66.6	Low	72.4	Confident	101 Å²	101	78 Å²	78	71%	0.706	43%	0.429	S	S	*	.			trans	51.7	-10	-177.8	58.9	0	0	0	0	118.8	C1094 T1100	C1094-S1098 VanDerWaalsContact O-CA 3.28Å; C1094-S1098 WeakPolarHBondContact O-CA 3.47Å; C1094-S1098 PolarHBondContact O-N 2.61Å; S1098-T1100 PolarHBondContact O-N 2.88Å
1099	C	73.8	Confident	73.7	Confident	57 Å²	57	78.6 Å²	78.6	39%	0.385	43%	0.432	S	S	.	.			trans	-51.8	127	-178	-62.3	0	0	0	0	112.8	A1093 C1094 C1097 Y1101	A1093-C1099 CarbonylContact C-O 3.46Å; C1094-C1099 PolarHBondContact N-O 3.35Å; C1097-C1099 PolarHBondContact O-N 3.29Å; C1097-C1099 PolarHBondContact O-SG 3.41Å; C1097-C1099 VanDerWaalsContact O-SG 3.39Å; C1099-Y1101 HydrophobicContact CB-CE2 3.76Å; C1099-Y1101 WeakPolarHBondContact CB-OH 3.46Å; C1099-Y1101 WeakPolarHBondContact O-CD2 3.38Å; C1099-Y1101 VanDerWaalsContact O-CE2 3.29Å; C1099-Y1101 WeakPolarHBondContact O-CE2 3.39Å
1100	T	76.4	Confident	74.5	Confident	73 Å²	73	73 Å²	73	45%	0.448	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.5	-176.4	61.2	0	0	0	0	111.7	R1090 A1093 S1098	R1090-T1100 WeakPolarHBondContact CD-OG1 3.44Å; A1093-T1100 HydrophobicContact CB-CG2 4.06Å; S1098-T1100 PolarHBondContact O-N 2.88Å
1101	Y	80.5	Confident	75	Confident	60 Å²	60	71 Å²	71	24%	0.235	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.7	-176	-63.2	-82.4	0	0	0	111.4	R1090 Y1092 C1094 C1099 H1103 L1107 H1110	R1090-Y1101 CarbonylContact C-O 3.59Å; Y1092-Y1101 WeakPolarHBondContact CB-O 3.42Å; Y1092-Y1101 PolarHBondContact N-O 3.44Å; Y1092-Y1101 PolarHBondContact O-N 2.85Å; C1094-Y1101 HydrophobicContact CB-CE2 4.48Å; C1099-Y1101 HydrophobicContact CB-CE2 3.76Å; C1099-Y1101 WeakPolarHBondContact CB-OH 3.46Å; C1099-Y1101 WeakPolarHBondContact O-CD2 3.38Å; C1099-Y1101 VanDerWaalsContact O-CE2 3.29Å; C1099-Y1101 WeakPolarHBondContact O-CE2 3.39Å; Y1101-H1103 PolarHBondContact O-N 3.24Å; Y1101-L1107 HydrophobicContact CD2-CB 4.17Å; Y1101-L1107 HydrophobicContact CD2-CD1 3.85Å; Y1101-L1107 HydrophobicContact CE2-CD1 4.25Å; Y1101-H1110 HydrophobicContact CE2-CB 4.07Å; Y1101-H1110 AromaticContact CE2-CD2 3.39Å; Y1101-H1110 WeakPolarHBondContact CE2-CD2 3.32Å; Y1101-H1110 AromaticContact CE2-CG 3.72Å; Y1101-H1110 AromaticContact CE2-NE2 3.97Å; Y1101-H1110 AromaticContact CZ-CD2 3.78Å; Y1101-H1110 AromaticContact CZ-CG 3.66Å; Y1101-H1110 PolarHBondContact OH-CE1 3.37Å; Y1101-H1110 VanDerWaalsContact OH-CG 3.31Å; Y1101-H1110 PolarHBondContact OH-ND1 3.46Å
1102	K	76.9	Confident	74.8	Confident	99 Å²	99	70.5 Å²	70.5	43%	0.43	39%	0.392	S	S	.	.	S	Bend	trans	-64.8	-17.9	176	-59.8	-167.4	-177.4	-159.3	0	113.7	D1088 R1090	D1088-K1102 WeakPolarHBondContact OD1-CE 3.02Å; D1088-K1102 IonicContact OD1-NZ 2.67Å; D1088-K1102 PolarHBondContact OD1-NZ 3.3Å; D1088-K1102 WeakPolarHBondContact OD2-CE 3.38Å; D1088-K1102 IonicContact OD2-NZ 2.6Å; D1088-K1102 PolarHBondContact OD2-NZ 3.27Å; R1090-K1102 HydrophobicContact CG-CG 3.89Å
1103	H	78.1	Confident	74.5	Confident	115 Å²	115	68.8 Å²	68.8	53%	0.532	39%	0.391	S	S	.	.	S	Bend	trans	-140.9	137.8	-173.5	-57.1	-26.3	0	0	0	113.3	Y1092 Y1101 S1105 S1106 L1107	Y1092-H1103 VanDerWaalsContact CD2-C 3.45Å; Y1101-H1103 PolarHBondContact O-N 3.24Å; H1103-S1105 PolarHBondContact O-N 3.44Å; H1103-S1105 VanDerWaalsContact O-N 3.17Å; H1103-S1106 WeakPolarHBondContact O-CB 3.44Å; H1103-S1106 PolarHBondContact O-N 3.36Å; H1103-L1107 PolarHBondContact O-N 3.49Å
1104	A	75.1	Confident	73.8	Confident	51 Å²	51	69.4 Å²	69.4	42%	0.421	39%	0.386	S	S	.	.	H	α-helix	trans	-54	-33.7	174.5	0	0	0	0	0	114	Y1092 L1108	Y1092-A1104 HydrophobicContact CD1-CB 3.72Å; Y1092-A1104 VanDerWaalsContact CD2-N 3.31Å; Y1092-A1104 HydrophobicContact CE1-CB 3.55Å; Y1092-A1104 HydrophobicContact CE2-CB 4.44Å; Y1092-A1104 HydrophobicContact CG-CB 4.25Å; A1104-L1108 VanDerWaalsContact O-CB 3.27Å; A1104-L1108 WeakPolarHBondContact O-CB 3.26Å; A1104-L1108 PolarHBondContact O-N 3.04Å
1105	S	72.6	Confident	72.9	Confident	73 Å²	73	76 Å²	76	51%	0.51	41%	0.414	S	S	.	.	H	α-helix	trans	-69.4	-36.6	177.2	49.2	0	0	0	0	112.7	H1103 N1109	H1103-S1105 PolarHBondContact O-N 3.44Å; H1103-S1105 VanDerWaalsContact O-N 3.17Å; S1105-N1109 WeakPolarHBondContact O-CB 3.32Å; S1105-N1109 VanDerWaalsContact O-CG 3.27Å; S1105-N1109 PolarHBondContact O-N 3.2Å; S1105-N1109 PolarHBondContact O-ND2 3.14Å; S1105-N1109 VanDerWaalsContact O-ND2 3.11Å
1106	S	81	Confident	72	Confident	48 Å²	48	75.2 Å²	75.2	34%	0.336	41%	0.414	S	S	.	.	H	α-helix	trans	-68.1	-46.7	173.6	-57.7	0	0	0	0	110.4	H1103 L1108 N1109 H1110	H1103-S1106 WeakPolarHBondContact O-CB 3.44Å; H1103-S1106 PolarHBondContact O-N 3.36Å; S1106-L1108 VanDerWaalsContact C-N 3.34Å; S1106-L1108 PolarHBondContact O-N 3.18Å; S1106-N1109 PolarHBondContact O-N 3.43Å; S1106-H1110 WeakPolarHBondContact O-CB 3.25Å; S1106-H1110 PolarHBondContact O-N 3.05Å
1107	L	80.1	Confident	71.6	Confident	19 Å²	19	70.7 Å²	70.7	10%	0.099	40%	0.396	C	S	.	.	H	α-helix	trans	-57.6	-45.1	173.3	176.8	63.9	0	0	0	111.8	A1093 C1094 Y1101 H1103 N1109 H1110 K1111	A1093-L1107 VanDerWaalsContact O-CD1 3.25Å; A1093-L1107 WeakPolarHBondContact O-CD1 3.49Å; A1093-L1107 WeakPolarHBondContact O-CD2 3.19Å; C1094-L1107 HydrophobicContact CB-CD1 3.64Å; Y1101-L1107 HydrophobicContact CD2-CB 4.17Å; Y1101-L1107 HydrophobicContact CD2-CD1 3.85Å; Y1101-L1107 HydrophobicContact CE2-CD1 4.25Å; H1103-L1107 PolarHBondContact O-N 3.49Å; L1107-N1109 PolarHBondContact O-N 2.84Å; L1107-H1110 CarbonylContact O-C 3.55Å; L1107-H1110 PolarHBondContact O-N 3.38Å; L1107-H1110 VanDerWaalsContact O-N 3.13Å; L1107-K1111 HydrophobicContact CD1-CD 4.37Å; L1107-K1111 HydrophobicContact CD1-CG 4.09Å; L1107-K1111 HydrophobicContact CG-CD 4.31Å; L1107-K1111 HydrophobicContact CG-CG 4.33Å; L1107-K1111 PolarHBondContact O-N 3.38Å
1108	L	77.7	Confident	70.7	Confident	97 Å²	97	75.1 Å²	75.1	51%	0.508	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-39.8	-179.5	-177.4	61.3	0	0	0	112.1	A1104 S1106 H1110 K1111 H1112	A1104-L1108 VanDerWaalsContact O-CB 3.27Å; A1104-L1108 WeakPolarHBondContact O-CB 3.26Å; A1104-L1108 PolarHBondContact O-N 3.04Å; S1106-L1108 VanDerWaalsContact C-N 3.34Å; S1106-L1108 PolarHBondContact O-N 3.18Å; L1108-H1110 VanDerWaalsContact C-N 3.26Å; L1108-H1110 PolarHBondContact O-N 3.11Å; L1108-K1111 PolarHBondContact O-N 3.48Å; L1108-H1112 VanDerWaalsContact O-CG 3.27Å; L1108-H1112 PolarHBondContact O-N 2.81Å; L1108-H1112 PolarHBondContact O-ND1 3.24Å; L1108-H1112 VanDerWaalsContact O-ND1 3.16Å
1109	N	72.8	Confident	70.5	Confident	92 Å²	92	73 Å²	73	49%	0.492	40%	0.395	S	S	.	.	H	α-helix	trans	-63.9	-32.6	173.2	-72.9	-31.9	0	0	0	112.3	S1105 S1106 L1107 H1112 T1113	S1105-N1109 WeakPolarHBondContact O-CB 3.32Å; S1105-N1109 VanDerWaalsContact O-CG 3.27Å; S1105-N1109 PolarHBondContact O-N 3.2Å; S1105-N1109 PolarHBondContact O-ND2 3.14Å; S1105-N1109 VanDerWaalsContact O-ND2 3.11Å; S1106-N1109 PolarHBondContact O-N 3.43Å; L1107-N1109 PolarHBondContact O-N 2.84Å; N1109-H1112 WeakPolarHBondContact O-CB 3.35Å; N1109-T1113 PolarHBondContact O-N 3.47Å
1110	H	76.8	Confident	70.2	Confident	29 Å²	29	78.8 Å²	78.8	13%	0.134	41%	0.409	C	S	.	.	H	α-helix	trans	-80.4	-35.2	176.4	170.1	74.7	0	0	0	113.4	C1094 C1097 Y1101 S1106 L1107 L1108 H1112 T1113 H1114	C1094-H1110 WeakPolarHBondContact CB-NE2 3.5Å; C1094-H1110 PolarHBondContact SG-CD2 3.44Å; C1094-H1110 PolarHBondContact SG-NE2 2.82Å; C1097-H1110 VanDerWaalsContact SG-CE1 3.51Å; C1097-H1110 PolarHBondContact SG-NE2 3.44Å; Y1101-H1110 HydrophobicContact CE2-CB 4.07Å; Y1101-H1110 AromaticContact CE2-CD2 3.39Å; Y1101-H1110 WeakPolarHBondContact CE2-CD2 3.32Å; Y1101-H1110 AromaticContact CE2-CG 3.72Å; Y1101-H1110 AromaticContact CE2-NE2 3.97Å; Y1101-H1110 AromaticContact CZ-CD2 3.78Å; Y1101-H1110 AromaticContact CZ-CG 3.66Å; Y1101-H1110 PolarHBondContact OH-CE1 3.37Å; Y1101-H1110 VanDerWaalsContact OH-CG 3.31Å; Y1101-H1110 PolarHBondContact OH-ND1 3.46Å; S1106-H1110 WeakPolarHBondContact O-CB 3.25Å; S1106-H1110 PolarHBondContact O-N 3.05Å; L1107-H1110 CarbonylContact O-C 3.55Å; L1107-H1110 PolarHBondContact O-N 3.38Å; L1107-H1110 VanDerWaalsContact O-N 3.13Å; L1108-H1110 VanDerWaalsContact C-N 3.26Å; L1108-H1110 PolarHBondContact O-N 3.11Å; H1110-H1112 PolarHBondContact O-N 2.81Å; H1110-T1113 WeakPolarHBondContact CA-OG1 3.36Å; H1110-T1113 PolarHBondContact ND1-OG1 3.18Å; H1110-T1113 WeakPolarHBondContact O-CA 3.42Å; H1110-T1113 PolarHBondContact O-N 3.09Å; H1110-T1113 PolarHBondContact O-OG1 2.81Å; H1110-H1114 AromaticContact CD2-CD2 3.97Å; H1110-H1114 AromaticContact CD2-NE2 3.96Å; H1110-H1114 AromaticContact CE1-CD2 3.78Å; H1110-H1114 AromaticContact CE1-NE2 3.22Å; H1110-H1114 PolarHBondContact CE1-NE2 2.84Å; H1110-H1114 AromaticContact NE2-CD2 3.47Å; H1110-H1114 PolarHBondContact NE2-CD2 3.12Å; H1110-H1114 AromaticContact NE2-NE2 3.02Å; H1110-H1114 PolarHBondContact NE2-NE2 2.82Å; H1110-H1114 PolarHBondContact O-CD2 3.1Å; H1110-H1114 PolarHBondContact O-N 3.34Å
1111	K	72	Confident	70	Confident	62 Å²	62	75.4 Å²	75.4	27%	0.27	39%	0.388	S	S	.	.	H	α-helix	trans	-63.9	-27.3	167	-71.5	-168.7	-179.7	-172.1	0	111.5	D1095 L1107 L1108 T1113 H1114 K1115	D1095-K1111 WeakPolarHBondContact OD1-CE 3.46Å; D1095-K1111 IonicContact OD1-NZ 2.62Å; D1095-K1111 PolarHBondContact OD1-NZ 3.1Å; D1095-K1111 IonicContact OD2-NZ 3.73Å; D1095-K1111 PolarHBondContact OD2-NZ 3.44Å; L1107-K1111 HydrophobicContact CD1-CD 4.37Å; L1107-K1111 HydrophobicContact CD1-CG 4.09Å; L1107-K1111 HydrophobicContact CG-CD 4.31Å; L1107-K1111 HydrophobicContact CG-CG 4.33Å; L1107-K1111 PolarHBondContact O-N 3.38Å; L1108-K1111 PolarHBondContact O-N 3.48Å; K1111-T1113 VanDerWaalsContact C-N 3.34Å; K1111-H1114 PolarHBondContact O-N 3.38Å; K1111-K1115 PolarHBondContact O-N 3.36Å
1112	H	67.9	Low	69.4	Low	61 Å²	61	79.7 Å²	79.7	28%	0.282	42%	0.415	S	S	.	.	H	α-helix	trans	-71.1	-21.4	166	-65.1	144.6	0	0	0	114.3	L1108 N1109 H1110 M1132	L1108-H1112 VanDerWaalsContact O-CG 3.27Å; L1108-H1112 PolarHBondContact O-N 2.81Å; L1108-H1112 PolarHBondContact O-ND1 3.24Å; L1108-H1112 VanDerWaalsContact O-ND1 3.16Å; N1109-H1112 WeakPolarHBondContact O-CB 3.35Å; H1110-H1112 PolarHBondContact O-N 2.81Å; H1112-M1132 HydrophobicContact CB-CG 4.42Å
1113	T	62.3	Low	68.6	Low	61 Å²	61	81.4 Å²	81.4	37%	0.374	42%	0.422	S	S	.	.	H	α-helix	trans	-79.1	-27.3	171.9	53.4	0	0	0	0	113.4	N1109 H1110 K1111 K1115 N1130	N1109-T1113 PolarHBondContact O-N 3.47Å; H1110-T1113 WeakPolarHBondContact CA-OG1 3.36Å; H1110-T1113 PolarHBondContact ND1-OG1 3.18Å; H1110-T1113 WeakPolarHBondContact O-CA 3.42Å; H1110-T1113 PolarHBondContact O-N 3.09Å; H1110-T1113 PolarHBondContact O-OG1 2.81Å; K1111-T1113 VanDerWaalsContact C-N 3.34Å; T1113-K1115 VanDerWaalsContact C-N 3.33Å; T1113-N1130 WeakPolarHBondContact CA-ND2 3.45Å; T1113-N1130 PolarHBondContact O-ND2 3.39Å
1114	H	63	Low	68.2	Low	61 Å²	61	77.7 Å²	77.7	28%	0.282	41%	0.409	S	S	.	.	H	α-helix	trans	-77.2	-14.6	169.6	-72.2	-65.8	0	0	0	114.2	C1094 L1096 C1097 H1110 K1111 T1116	C1094-H1114 VanDerWaalsContact SG-CD2 3.52Å; L1096-H1114 HydrophobicContact CB-CB 4.49Å; L1096-H1114 HydrophobicContact CD1-CB 3.57Å; C1097-H1114 VanDerWaalsContact SG-CE1 3.57Å; C1097-H1114 PolarHBondContact SG-NE2 2.87Å; H1110-H1114 AromaticContact CD2-CD2 3.97Å; H1110-H1114 AromaticContact CD2-NE2 3.96Å; H1110-H1114 AromaticContact CE1-CD2 3.78Å; H1110-H1114 AromaticContact CE1-NE2 3.22Å; H1110-H1114 PolarHBondContact CE1-NE2 2.84Å; H1110-H1114 AromaticContact NE2-CD2 3.47Å; H1110-H1114 PolarHBondContact NE2-CD2 3.12Å; H1110-H1114 AromaticContact NE2-NE2 3.02Å; H1110-H1114 PolarHBondContact NE2-NE2 2.82Å; H1110-H1114 PolarHBondContact O-CD2 3.1Å; H1110-H1114 PolarHBondContact O-N 3.34Å; K1111-H1114 PolarHBondContact O-N 3.38Å; H1114-T1116 PolarHBondContact O-N 2.87Å; H1114-T1116 PolarHBondContact O-OG1 3.46Å
1115	K	61.7	Low	67.5	Low	141 Å²	141	81.7 Å²	81.7	61%	0.613	42%	0.424	S	S	*	.			trans	-80.4	68.5	176.4	-166.2	163.6	-174.1	169.5	0	110.7	K1111 T1113 F1119	K1111-K1115 PolarHBondContact O-N 3.36Å; T1113-K1115 VanDerWaalsContact C-N 3.33Å; K1115-F1119 WeakPolarHBondContact O-CE2 3.37Å
1116	T	54.1	Low	67.1	Low	112 Å²	112	84.5 Å²	84.5	69%	0.687	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	138.6	175.2	-43.1	0	0	0	0	110.4	H1114 T1129	H1114-T1116 PolarHBondContact O-N 2.87Å; H1114-T1116 PolarHBondContact O-OG1 3.46Å; T1116-T1129 WeakPolarHBondContact CA-O 3.39Å
1117	G	58.6	Low	66.3	Low	24 Å²	24	86.4 Å²	86.4	25%	0.247	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	160.6	178.4	0	0	0	0	0	111.5	F1119 T1129	G1117-F1119 WeakPolarHBondContact O-CD2 3.41Å; G1117-F1119 WeakPolarHBondContact O-CE2 3.45Å; G1117-F1119 PolarHBondContact O-N 3.42Å; G1117-F1119 VanDerWaalsContact O-N 3.08Å; G1117-T1129 PolarHBondContact N-O 3.02Å; G1117-T1129 CarbonylContact O-C 3.55Å; G1117-T1129 WeakPolarHBondContact O-CA 3.35Å; G1117-T1129 VanDerWaalsContact O-O 3.13Å
1118	N	56	Low	66	Low	141 Å²	141	88.2 Å²	88.2	75%	0.754	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	85.3	-176.1	-74.2	-10.6	0	0	0	111.6	R1120	N1118-R1120 PolarHBondContact O-N 3.14Å
1119	F	63.6	Low	65.4	Low	56 Å²	56	88 Å²	88	25%	0.246	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	92.9	178.2	-59.7	-80.5	0	0	0	110.9	K1115 G1117 Y1128 N1130 Y1131 L1134	K1115-F1119 WeakPolarHBondContact O-CE2 3.37Å; G1117-F1119 WeakPolarHBondContact O-CD2 3.41Å; G1117-F1119 WeakPolarHBondContact O-CE2 3.45Å; G1117-F1119 PolarHBondContact O-N 3.42Å; G1117-F1119 VanDerWaalsContact O-N 3.08Å; F1119-Y1128 WeakPolarHBondContact CB-O 3.39Å; F1119-Y1128 PolarHBondContact N-O 3.27Å; F1119-Y1128 WeakPolarHBondContact O-CB 3.29Å; F1119-Y1128 PolarHBondContact O-N 3.12Å; F1119-N1130 VanDerWaalsContact CD2-C 3.49Å; F1119-Y1131 HydrophobicContact CD1-CD2 4.17Å; F1119-Y1131 VanDerWaalsContact CD2-N 3.28Å; F1119-Y1131 HydrophobicContact CE1-CD2 4.35Å; F1119-L1134 HydrophobicContact CB-CB 3.91Å; F1119-L1134 HydrophobicContact CB-CD2 3.74Å; F1119-L1134 HydrophobicContact CB-CG 4.4Å
1120	R	66.1	Low	65.3	Low	180 Å²	180	84.9 Å²	84.9	68%	0.679	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	155.4	171.9	63.3	179.3	179.6	-109.9	5.6	112.4	N1118 L1134	N1118-R1120 PolarHBondContact O-N 3.14Å; R1120-L1134 WeakPolarHBondContact O-CD2 3.24Å
1121	C	73.6	Confident	65.1	Low	1 Å²	1	88.2 Å²	88.2	1%	0.007	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.4	177.3	-168.6	0	0	0	0	112.2	F1123 C1124 L1134 H1137	C1121-F1123 PolarHBondContact O-N 3.29Å; C1121-C1124 WeakPolarHBondContact CB-O 3.43Å; C1121-C1124 CarbonylContact O-C 3.3Å; C1121-C1124 VanDerWaalsContact O-C 3.3Å; C1121-C1124 PolarHBondContact O-N 3.31Å; C1121-C1124 VanDerWaalsContact O-N 3.11Å; C1121-L1134 HydrophobicContact CB-CD1 3.49Å; C1121-L1134 VanDerWaalsContact CB-CD1 3.49Å; C1121-H1137 VanDerWaalsContact SG-CD2 3.52Å
1122	N	67.3	Low	65.3	Low	151 Å²	151	87 Å²	87	81%	0.807	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-1.8	179.3	-60.9	34.6	0	0	0	114.9
1123	F	61.2	Low	65.5	Low	134 Å²	134	85.7 Å²	85.7	59%	0.588	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-7.7	177.7	-61.7	-75.7	0	0	0	113.4	C1121 M1138 H1141	C1121-F1123 PolarHBondContact O-N 3.29Å; F1123-M1138 HydrophobicContact CE2-SD 4.42Å; F1123-H1141 HydrophobicContact CB-CB 4.25Å; F1123-H1141 HydrophobicContact CD2-CB 4.12Å; F1123-H1141 HydrophobicContact CG-CB 4.2Å
1124	C	68.2	Low	66.1	Low	37 Å²	37	83.5 Å²	83.5	25%	0.25	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	141.3	162.9	60.8	0	0	0	0	110.5	C1121 K1126 H1137 H1141	C1121-C1124 WeakPolarHBondContact CB-O 3.43Å; C1121-C1124 CarbonylContact O-C 3.3Å; C1121-C1124 VanDerWaalsContact O-C 3.3Å; C1121-C1124 PolarHBondContact O-N 3.31Å; C1121-C1124 VanDerWaalsContact O-N 3.11Å; C1124-K1126 PolarHBondContact O-N 2.78Å; C1124-H1137 VanDerWaalsContact SG-CE1 3.54Å; C1124-H1137 PolarHBondContact SG-NE2 2.85Å; C1124-H1137 VanDerWaalsContact SG-NE2 3.44Å; C1124-H1141 PolarHBondContact SG-NE2 3.19Å
1125	D	60.5	Low	66.5	Low	136 Å²	136	87.4 Å²	87.4	73%	0.727	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	27.2	-168.5	-58.9	-79.4	0	0	0	115.8	P1127	D1125-P1127 VanDerWaalsContact O-CD 3.3Å; D1125-P1127 WeakPolarHBondContact O-CD 3.35Å
1126	K	63.8	Low	67	Low	132 Å²	132	84.9 Å²	84.9	57%	0.574	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.6	172.4	-59.6	-161.8	176.9	-163.6	0	109.1	C1124 Y1128	C1124-K1126 PolarHBondContact O-N 2.78Å; K1126-Y1128 HydrophobicContact CB-CE2 3.97Å; K1126-Y1128 VanDerWaalsContact O-CD2 3.32Å; K1126-Y1128 WeakPolarHBondContact O-CD2 3.49Å; K1126-Y1128 VanDerWaalsContact O-CE2 3.23Å; K1126-Y1128 WeakPolarHBondContact O-CE2 3.5Å
1127	P	65.6	Low	68	Low	88 Å²	88	80.3 Å²	80.3	57%	0.571	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.7	177.6	31.9	-33.9	0	0	0	110.5	D1125	D1125-P1127 VanDerWaalsContact O-CD 3.3Å; D1125-P1127 WeakPolarHBondContact O-CD 3.35Å
1128	Y	72.9	Confident	68.4	Low	56 Å²	56	82.2 Å²	82.2	22%	0.22	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.6	172.7	-67.3	-78.9	0	0	0	109.7	F1119 K1126 N1130 A1133 L1134 H1137	F1119-Y1128 WeakPolarHBondContact CB-O 3.39Å; F1119-Y1128 PolarHBondContact N-O 3.27Å; F1119-Y1128 WeakPolarHBondContact O-CB 3.29Å; F1119-Y1128 PolarHBondContact O-N 3.12Å; K1126-Y1128 HydrophobicContact CB-CE2 3.97Å; K1126-Y1128 VanDerWaalsContact O-CD2 3.32Å; K1126-Y1128 WeakPolarHBondContact O-CD2 3.49Å; K1126-Y1128 VanDerWaalsContact O-CE2 3.23Å; K1126-Y1128 WeakPolarHBondContact O-CE2 3.5Å; Y1128-N1130 PolarHBondContact O-N 3.26Å; Y1128-A1133 HydrophobicContact CD1-CB 4.09Å; Y1128-A1133 HydrophobicContact CG-CB 4.45Å; Y1128-L1134 HydrophobicContact CD2-CB 4.32Å; Y1128-L1134 HydrophobicContact CD2-CD1 4.01Å; Y1128-L1134 HydrophobicContact CG-CB 4.4Å; Y1128-H1137 HydrophobicContact CD2-CB 4.25Å; Y1128-H1137 HydrophobicContact CE1-CB 4.06Å; Y1128-H1137 HydrophobicContact CE2-CB 3.71Å; Y1128-H1137 AromaticContact CE2-CD2 3.47Å; Y1128-H1137 VanDerWaalsContact CE2-CD2 3.47Å; Y1128-H1137 WeakPolarHBondContact CE2-CD2 3.49Å; Y1128-H1137 AromaticContact CE2-CG 3.35Å; Y1128-H1137 AromaticContact CE2-ND1 3.79Å; Y1128-H1137 AromaticContact CE2-NE2 3.96Å; Y1128-H1137 AromaticContact CZ-CG 3.42Å; Y1128-H1137 VanDerWaalsContact CZ-CG 3.42Å; Y1128-H1137 AromaticContact CZ-ND1 3.52Å; Y1128-H1137 PolarHBondContact OH-CE1 3.03Å; Y1128-H1137 PolarHBondContact OH-ND1 3Å
1129	T	66.1	Low	69.1	Low	92 Å²	92	82.4 Å²	82.4	56%	0.564	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	-10	-178.1	53.2	0	0	0	0	114.6	T1116 G1117	T1116-T1129 WeakPolarHBondContact CA-O 3.39Å; G1117-T1129 PolarHBondContact N-O 3.02Å; G1117-T1129 CarbonylContact O-C 3.55Å; G1117-T1129 WeakPolarHBondContact O-CA 3.35Å; G1117-T1129 VanDerWaalsContact O-O 3.13Å
1130	N	70.3	Confident	69.1	Low	28 Å²	28	83.4 Å²	83.4	15%	0.15	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	134.2	-167.7	175.2	-29.8	0	0	0	110	T1113 F1119 Y1128 M1132 A1133 L1134	T1113-N1130 WeakPolarHBondContact CA-ND2 3.45Å; T1113-N1130 PolarHBondContact O-ND2 3.39Å; F1119-N1130 VanDerWaalsContact CD2-C 3.49Å; Y1128-N1130 PolarHBondContact O-N 3.26Å; N1130-M1132 VanDerWaalsContact C-N 3.25Å; N1130-M1132 PolarHBondContact O-N 3.48Å; N1130-M1132 WeakPolarHBondContact OD1-CB 3.28Å; N1130-M1132 PolarHBondContact OD1-N 3Å; N1130-A1133 HydrophobicContact CB-CB 4.18Å; N1130-A1133 WeakPolarHBondContact O-CA 3.14Å; N1130-A1133 WeakPolarHBondContact O-CB 3.49Å; N1130-A1133 PolarHBondContact O-N 3.15Å; N1130-L1134 PolarHBondContact O-N 3.48Å
1131	Y	72.6	Confident	68.8	Low	99 Å²	99	78.2 Å²	78.2	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-61	-30.2	-178.2	179.3	-120.9	0	0	0	113.5	F1119 R1135	F1119-Y1131 HydrophobicContact CD1-CD2 4.17Å; F1119-Y1131 VanDerWaalsContact CD2-N 3.28Å; F1119-Y1131 HydrophobicContact CE1-CD2 4.35Å; Y1131-R1135 VanDerWaalsContact O-CB 3.3Å; Y1131-R1135 WeakPolarHBondContact O-CB 3.28Å; Y1131-R1135 PolarHBondContact O-N 2.93Å
1132	M	75.4	Confident	67.9	Low	36 Å²	36	82.3 Å²	82.3	18%	0.177	41%	0.408	C	S	.	.	H	α-helix	trans	-71.6	-33.2	171.7	-68	-60.5	101.2	0	0	112.3	H1112 N1130 R1135 N1136	H1112-M1132 HydrophobicContact CB-CG 4.42Å; N1130-M1132 VanDerWaalsContact C-N 3.25Å; N1130-M1132 PolarHBondContact O-N 3.48Å; N1130-M1132 WeakPolarHBondContact OD1-CB 3.28Å; N1130-M1132 PolarHBondContact OD1-N 3Å; M1132-R1135 PolarHBondContact O-N 2.78Å; M1132-N1136 WeakPolarHBondContact O-CB 3.41Å; M1132-N1136 PolarHBondContact O-N 3.18Å; M1132-N1136 PolarHBondContact O-ND2 3.35Å; M1132-N1136 PolarHBondContact O-OD1 2.62Å
1133	A	72	Confident	67	Low	34 Å²	34	79.4 Å²	79.4	28%	0.281	39%	0.39	S	S	.	.	H	α-helix	trans	-66.7	-45	172.3	0	0	0	0	0	110.9	Y1128 N1130 R1135 N1136 H1137	Y1128-A1133 HydrophobicContact CD1-CB 4.09Å; Y1128-A1133 HydrophobicContact CG-CB 4.45Å; N1130-A1133 HydrophobicContact CB-CB 4.18Å; N1130-A1133 WeakPolarHBondContact O-CA 3.14Å; N1130-A1133 WeakPolarHBondContact O-CB 3.49Å; N1130-A1133 PolarHBondContact O-N 3.15Å; A1133-R1135 VanDerWaalsContact C-N 3.34Å; A1133-R1135 PolarHBondContact O-N 2.95Å; A1133-N1136 WeakPolarHBondContact O-CB 3.28Å; A1133-N1136 PolarHBondContact O-N 3.44Å; A1133-H1137 WeakPolarHBondContact O-CB 3.45Å; A1133-H1137 PolarHBondContact O-N 2.97Å
1134	L	76.4	Confident	66.3	Low	14 Å²	14	84 Å²	84	7%	0.073	40%	0.403	C	S	.	.	H	α-helix	trans	-57.5	-45.1	170.3	174.1	61	0	0	0	111.4	F1119 R1120 C1121 Y1128 N1130 N1136 H1137 M1138	F1119-L1134 HydrophobicContact CB-CB 3.91Å; F1119-L1134 HydrophobicContact CB-CD2 3.74Å; F1119-L1134 HydrophobicContact CB-CG 4.4Å; R1120-L1134 WeakPolarHBondContact O-CD2 3.24Å; C1121-L1134 HydrophobicContact CB-CD1 3.49Å; C1121-L1134 VanDerWaalsContact CB-CD1 3.49Å; Y1128-L1134 HydrophobicContact CD2-CB 4.32Å; Y1128-L1134 HydrophobicContact CD2-CD1 4.01Å; Y1128-L1134 HydrophobicContact CG-CB 4.4Å; N1130-L1134 PolarHBondContact O-N 3.48Å; L1134-N1136 VanDerWaalsContact C-N 3.27Å; L1134-N1136 PolarHBondContact O-N 2.94Å; L1134-H1137 CarbonylContact O-C 3.57Å; L1134-H1137 PolarHBondContact O-N 2.63Å; L1134-M1138 WeakPolarHBondContact O-CB 3.29Å; L1134-M1138 PolarHBondContact O-N 2.87Å
1135	R	71.3	Confident	65.4	Low	144 Å²	144	88.6 Å²	88.6	54%	0.543	42%	0.419	S	S	.	.	H	α-helix	trans	-67.8	-25.8	179.8	-166.6	173.1	-171.9	167.9	4.8	113.2	Y1131 M1132 A1133	Y1131-R1135 VanDerWaalsContact O-CB 3.3Å; Y1131-R1135 WeakPolarHBondContact O-CB 3.28Å; Y1131-R1135 PolarHBondContact O-N 2.93Å; M1132-R1135 PolarHBondContact O-N 2.78Å; A1133-R1135 VanDerWaalsContact C-N 3.34Å; A1133-R1135 PolarHBondContact O-N 2.95Å
1136	N	70.6	Confident	65.3	Low	87 Å²	87	87.6 Å²	87.6	47%	0.465	41%	0.408	S	S	.	.	H	α-helix	trans	-74.6	-43	170.6	-69.2	-17.1	0	0	0	111.1	M1132 A1133 L1134 R1139	M1132-N1136 WeakPolarHBondContact O-CB 3.41Å; M1132-N1136 PolarHBondContact O-N 3.18Å; M1132-N1136 PolarHBondContact O-ND2 3.35Å; M1132-N1136 PolarHBondContact O-OD1 2.62Å; A1133-N1136 WeakPolarHBondContact O-CB 3.28Å; A1133-N1136 PolarHBondContact O-N 3.44Å; L1134-N1136 VanDerWaalsContact C-N 3.27Å; L1134-N1136 PolarHBondContact O-N 2.94Å; N1136-R1139 PolarHBondContact O-N 3.26Å; N1136-R1139 PolarHBondContact OD1-NH2 2.82Å
1137	H	75.4	Confident	65.3	Low	16 Å²	16	84.5 Å²	84.5	7%	0.074	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-41.5	174.9	168.2	80.1	0	0	0	112.8	C1121 C1124 Y1128 A1133 L1134 R1139 I1140 H1141	C1121-H1137 VanDerWaalsContact SG-CD2 3.52Å; C1124-H1137 VanDerWaalsContact SG-CE1 3.54Å; C1124-H1137 PolarHBondContact SG-NE2 2.85Å; C1124-H1137 VanDerWaalsContact SG-NE2 3.44Å; Y1128-H1137 HydrophobicContact CD2-CB 4.25Å; Y1128-H1137 HydrophobicContact CE1-CB 4.06Å; Y1128-H1137 HydrophobicContact CE2-CB 3.71Å; Y1128-H1137 AromaticContact CE2-CD2 3.47Å; Y1128-H1137 VanDerWaalsContact CE2-CD2 3.47Å; Y1128-H1137 WeakPolarHBondContact CE2-CD2 3.49Å; Y1128-H1137 AromaticContact CE2-CG 3.35Å; Y1128-H1137 AromaticContact CE2-ND1 3.79Å; Y1128-H1137 AromaticContact CE2-NE2 3.96Å; Y1128-H1137 AromaticContact CZ-CG 3.42Å; Y1128-H1137 VanDerWaalsContact CZ-CG 3.42Å; Y1128-H1137 AromaticContact CZ-ND1 3.52Å; Y1128-H1137 PolarHBondContact OH-CE1 3.03Å; Y1128-H1137 PolarHBondContact OH-ND1 3Å; A1133-H1137 WeakPolarHBondContact O-CB 3.45Å; A1133-H1137 PolarHBondContact O-N 2.97Å; L1134-H1137 CarbonylContact O-C 3.57Å; L1134-H1137 PolarHBondContact O-N 2.63Å; H1137-R1139 PolarHBondContact O-N 3.33Å; H1137-R1139 VanDerWaalsContact O-N 3.12Å; H1137-I1140 WeakPolarHBondContact O-CA 3.49Å; H1137-I1140 WeakPolarHBondContact O-CB 3.47Å; H1137-I1140 VanDerWaalsContact O-CG1 3.26Å; H1137-I1140 WeakPolarHBondContact O-CG1 3.32Å; H1137-I1140 PolarHBondContact O-N 3.2Å; H1137-H1141 AromaticContact CD2-NE2 3.94Å; H1137-H1141 AromaticContact CE1-NE2 3.45Å; H1137-H1141 PolarHBondContact CE1-NE2 3.36Å; H1137-H1141 AromaticContact NE2-CD2 3.58Å; H1137-H1141 AromaticContact NE2-NE2 2.96Å; H1137-H1141 PolarHBondContact NE2-NE2 3.37Å
1138	M	67.6	Low	65.3	Low	64 Å²	64	84.6 Å²	84.6	32%	0.315	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-21.5	-178.2	-170.1	149.7	52	0	0	112.8	F1123 L1134 I1140 H1141 T1142	F1123-M1138 HydrophobicContact CE2-SD 4.42Å; L1134-M1138 WeakPolarHBondContact O-CB 3.29Å; L1134-M1138 PolarHBondContact O-N 2.87Å; M1138-I1140 PolarHBondContact O-N 3.33Å; M1138-H1141 PolarHBondContact O-N 3.24Å; M1138-T1142 PolarHBondContact O-N 2.86Å
1139	R	71.6	Confident	65.5	Low	146 Å²	146	81.9 Å²	81.9	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-72.4	-2.6	167.8	-66.9	-174	-73.5	155.4	-7.4	114.2	N1136 H1137 Q1143	N1136-R1139 PolarHBondContact O-N 3.26Å; N1136-R1139 PolarHBondContact OD1-NH2 2.82Å; H1137-R1139 PolarHBondContact O-N 3.33Å; H1137-R1139 VanDerWaalsContact O-N 3.12Å; R1139-Q1143 WeakPolarHBondContact O-CB 3.26Å; R1139-Q1143 WeakPolarHBondContact O-CG 3.41Å
1140	I	62.4	Low	65.1	Low	77 Å²	77	86.1 Å²	86.1	40%	0.395	39%	0.393	S	S	.	.	H	α-helix	trans	-77.5	-47.9	169.4	-64.1	178.4	0	0	0	109.5	H1137 M1138	H1137-I1140 WeakPolarHBondContact O-CA 3.49Å; H1137-I1140 WeakPolarHBondContact O-CB 3.47Å; H1137-I1140 VanDerWaalsContact O-CG1 3.26Å; H1137-I1140 WeakPolarHBondContact O-CG1 3.32Å; H1137-I1140 PolarHBondContact O-N 3.2Å; M1138-I1140 PolarHBondContact O-N 3.33Å
1141	H	59.3	Low	64.5	Low	71 Å²	71	89.4 Å²	89.4	33%	0.329	41%	0.414	S	S	.	.	H	α-helix	trans	-68.7	-44.6	-178.7	-61.1	-64.7	0	0	0	112.3	F1123 C1124 H1137 M1138 Q1143	F1123-H1141 HydrophobicContact CB-CB 4.25Å; F1123-H1141 HydrophobicContact CD2-CB 4.12Å; F1123-H1141 HydrophobicContact CG-CB 4.2Å; C1124-H1141 PolarHBondContact SG-NE2 3.19Å; H1137-H1141 AromaticContact CD2-NE2 3.94Å; H1137-H1141 AromaticContact CE1-NE2 3.45Å; H1137-H1141 PolarHBondContact CE1-NE2 3.36Å; H1137-H1141 AromaticContact NE2-CD2 3.58Å; H1137-H1141 AromaticContact NE2-NE2 2.96Å; H1137-H1141 PolarHBondContact NE2-NE2 3.37Å; M1138-H1141 PolarHBondContact O-N 3.24Å; H1141-Q1143 VanDerWaalsContact C-N 3.25Å; H1141-Q1143 PolarHBondContact O-N 2.85Å; H1141-Q1143 VanDerWaalsContact O-N 3.09Å
1142	T	55.8	Low	64.2	Low	86 Å²	86	87 Å²	87	53%	0.528	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	29.4	-174.3	73.6	0	0	0	0	114.6	M1138	M1138-T1142 PolarHBondContact O-N 2.86Å
1143	Q	48.5	Very low	63.2	Low	90 Å²	90	87.7 Å²	87.7	42%	0.421	43%	0.427	S	S	.	.			trans	-143.2	94.1	-173.8	-72.5	-69.5	-58.7	0	0	112.7	R1139 H1141 K1145 R1157	R1139-Q1143 WeakPolarHBondContact O-CB 3.26Å; R1139-Q1143 WeakPolarHBondContact O-CG 3.41Å; H1141-Q1143 VanDerWaalsContact C-N 3.25Å; H1141-Q1143 PolarHBondContact O-N 2.85Å; H1141-Q1143 VanDerWaalsContact O-N 3.09Å; Q1143-K1145 PolarHBondContact O-N 3.3Å; Q1143-R1157 HydrophobicContact CB-CG 4.47Å
1144	R	47.1	Very low	62.9	Low	231 Å²	231	92.1 Å²	92.1	87%	0.872	44%	0.44	S	S	*	.			trans	-56.2	124.4	163	-63.1	-178.8	83.2	169.9	4.4	108.6	K1146	R1144-K1146 PolarHBondContact O-N 3.37Å
1145	K	49	Very low	62.4	Low	134 Å²	134	92.8 Å²	92.8	58%	0.583	45%	0.448	S	S	*	.			trans	-63.7	124.1	-179.6	-68.8	160.8	158.9	-177.9	0	109.6	Q1143 A1155	Q1143-K1145 PolarHBondContact O-N 3.3Å; K1145-A1155 HydrophobicContact CB-CB 4Å; K1145-A1155 HydrophobicContact CD-CB 3.87Å; K1145-A1155 WeakPolarHBondContact CD-O 3.25Å; K1145-A1155 WeakPolarHBondContact CE-O 3.22Å; K1145-A1155 HydrophobicContact CG-CB 4.39Å
1146	K	58.4	Low	62.5	Low	115 Å²	115	88.5 Å²	88.5	50%	0.5	43%	0.433	S	S	.	.			trans	-112.4	-13	-173.9	-76.6	173.7	179.9	169.1	0	115.2	N981 R1144 F1156	N981-K1146 PolarHBondContact O-NZ 3.29Å; R1144-K1146 PolarHBondContact O-N 3.37Å; K1146-F1156 PolarHBondContact N-O 3.41Å
1147	H	62.9	Low	62.3	Low	66 Å²	66	89.4 Å²	89.4	31%	0.306	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	91.6	-173.1	-62.7	-64.8	0	0	0	109.7	F1156 A1159 L1162	H1147-F1156 HydrophobicContact CB-CB 4.5Å; H1147-F1156 PolarHBondContact N-O 3Å; H1147-F1156 PolarHBondContact O-N 3.21Å; H1147-A1159 PolarHBondContact CD2-N 3.37Å; H1147-A1159 VanDerWaalsContact CD2-N 3.32Å; H1147-L1162 HydrophobicContact CB-CB 4.06Å; H1147-L1162 HydrophobicContact CB-CD2 3.8Å
1148	I	66.7	Low	62.2	Low	90 Å²	90	92.2 Å²	92.2	46%	0.462	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127	-176.8	-51.5	-179.2	0	0	0	109.5	H1150 A1155	I1148-H1150 PolarHBondContact O-N 3.44Å; I1148-H1150 PolarHBondContact O-ND1 2.95Å; I1148-A1155 HydrophobicContact CB-CB 4.46Å; I1148-A1155 HydrophobicContact CG1-CB 3.94Å; I1148-A1155 HydrophobicContact CG2-CB 4.48Å
1149	C	75.8	Confident	62.3	Low	0 Å²	0	91.4 Å²	91.4	0%	0	45%	0.448	C	S	.	.			trans	-70.7	115.9	167.9	-179	0	0	0	0	109	T1151 C1152 G1153 K1154 F1156 L1162 H1169	C1149-T1151 PolarHBondContact O-N 3.04Å; C1149-C1152 PolarHBondContact O-N 3.23Å; C1149-G1153 VanDerWaalsContact O-CA 3.27Å; C1149-G1153 WeakPolarHBondContact O-CA 3.35Å; C1149-G1153 PolarHBondContact O-N 3.37Å; C1149-K1154 VanDerWaalsContact CB-O 3.31Å; C1149-K1154 WeakPolarHBondContact CB-O 3.38Å; C1149-K1154 PolarHBondContact N-O 3.26Å; C1149-F1156 HydrophobicContact CB-CE2 4.3Å; C1149-L1162 HydrophobicContact CB-CD1 3.6Å; C1149-H1169 PolarHBondContact SG-NE2 3.44Å
1150	H	57.3	Low	62.4	Low	180 Å²	180	91.3 Å²	91.3	83%	0.833	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.5	-178.2	-69.1	41.6	0	0	0	111.8	I1148	I1148-H1150 PolarHBondContact O-N 3.44Å; I1148-H1150 PolarHBondContact O-ND1 2.95Å
1151	T	58.9	Low	62.8	Low	97 Å²	97	92.4 Å²	92.4	60%	0.595	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-24	177.8	-29.7	0	0	0	0	114.3	C1149 H1169	C1149-T1151 PolarHBondContact O-N 3.04Å; T1151-H1169 HydrophobicContact CG2-CB 4.09Å
1152	C	65.2	Low	63.7	Low	49 Å²	49	90 Å²	90	33%	0.331	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.2	19.9	-179	68.5	0	0	0	0	115.7	C1149 K1154 H1165 H1169	C1149-C1152 PolarHBondContact O-N 3.23Å; C1152-K1154 PolarHBondContact O-N 3.08Å; C1152-H1165 PolarHBondContact SG-NE2 3.5Å; C1152-H1169 PolarHBondContact SG-CE1 3.19Å; C1152-H1169 PolarHBondContact SG-NE2 2.97Å; C1152-H1169 VanDerWaalsContact SG-NE2 3.35Å
1153	G	54	Low	64.5	Low	50 Å²	50	94 Å²	94	52%	0.515	45%	0.445	S	S	.	.			trans	66.4	-10.2	178.5	0	0	0	0	0	116.7	C1149 A1155	C1149-G1153 VanDerWaalsContact O-CA 3.27Å; C1149-G1153 WeakPolarHBondContact O-CA 3.35Å; C1149-G1153 PolarHBondContact O-N 3.37Å; G1153-A1155 PolarHBondContact O-N 2.82Å
1154	K	66.8	Low	65.5	Low	127 Å²	127	94.9 Å²	94.9	55%	0.552	45%	0.453	S	S	*	.			trans	-63.9	125.7	-175	-70	174.9	-172	166.7	0	110.7	C1149 C1152 F1156	C1149-K1154 VanDerWaalsContact CB-O 3.31Å; C1149-K1154 WeakPolarHBondContact CB-O 3.38Å; C1149-K1154 PolarHBondContact N-O 3.26Å; C1152-K1154 PolarHBondContact O-N 3.08Å; K1154-F1156 HydrophobicContact CB-CE2 3.75Å; K1154-F1156 HydrophobicContact CB-CZ 3.96Å; K1154-F1156 VanDerWaalsContact O-CD2 3.27Å; K1154-F1156 WeakPolarHBondContact O-CD2 3.49Å; K1154-F1156 WeakPolarHBondContact O-CE2 3.24Å
1155	A	66.3	Low	66.8	Low	28 Å²	28	85.2 Å²	85.2	23%	0.231	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.5	-164.8	0	0	0	0	0	113.1	K1145 I1148 G1153	K1145-A1155 HydrophobicContact CB-CB 4Å; K1145-A1155 HydrophobicContact CD-CB 3.87Å; K1145-A1155 WeakPolarHBondContact CD-O 3.25Å; K1145-A1155 WeakPolarHBondContact CE-O 3.22Å; K1145-A1155 HydrophobicContact CG-CB 4.39Å; I1148-A1155 HydrophobicContact CB-CB 4.46Å; I1148-A1155 HydrophobicContact CG1-CB 3.94Å; I1148-A1155 HydrophobicContact CG2-CB 4.48Å; G1153-A1155 PolarHBondContact O-N 2.82Å
1156	F	72.9	Confident	67.8	Low	54 Å²	54	82.7 Å²	82.7	24%	0.237	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	162.3	-166.2	-59.9	-91.6	0	0	0	113.1	K1146 H1147 C1149 K1154 F1161 L1162 H1165	K1146-F1156 PolarHBondContact N-O 3.41Å; H1147-F1156 HydrophobicContact CB-CB 4.5Å; H1147-F1156 PolarHBondContact N-O 3Å; H1147-F1156 PolarHBondContact O-N 3.21Å; C1149-F1156 HydrophobicContact CB-CE2 4.3Å; K1154-F1156 HydrophobicContact CB-CE2 3.75Å; K1154-F1156 HydrophobicContact CB-CZ 3.96Å; K1154-F1156 VanDerWaalsContact O-CD2 3.27Å; K1154-F1156 WeakPolarHBondContact O-CD2 3.49Å; K1154-F1156 WeakPolarHBondContact O-CE2 3.24Å; F1156-F1161 HydrophobicContact CD1-CB 4.21Å; F1156-L1162 HydrophobicContact CB-CB 4.49Å; F1156-L1162 HydrophobicContact CD2-CB 4.34Å; F1156-L1162 HydrophobicContact CD2-CD1 4.09Å; F1156-L1162 HydrophobicContact CE2-CD1 4.4Å; F1156-H1165 HydrophobicContact CE1-CB 4.26Å; F1156-H1165 HydrophobicContact CE2-CB 4.08Å; F1156-H1165 AromaticContact CE2-CD2 3.24Å; F1156-H1165 WeakPolarHBondContact CE2-CD2 3.47Å; F1156-H1165 AromaticContact CE2-CG 3.75Å; F1156-H1165 AromaticContact CE2-NE2 3.95Å; F1156-H1165 HydrophobicContact CZ-CB 3.74Å; F1156-H1165 AromaticContact CZ-CD2 3.33Å; F1156-H1165 WeakPolarHBondContact CZ-CD2 3.1Å; F1156-H1165 AromaticContact CZ-CG 3.4Å; F1156-H1165 VanDerWaalsContact CZ-CG 3.4Å; F1156-H1165 AromaticContact CZ-NE2 3.9Å
1157	R	66.8	Low	68.4	Low	106 Å²	106	81.6 Å²	81.6	40%	0.4	40%	0.403	S	S	.	.	S	Bend	trans	-90.7	-17.5	-179.2	-61.2	-170.5	-166.8	94.3	13.1	115.1	Q1143	Q1143-R1157 HydrophobicContact CB-CG 4.47Å
1158	L	73.7	Confident	68.4	Low	76 Å²	76	81.6 Å²	81.6	40%	0.398	41%	0.407	S	S	.	.	S	Bend	trans	-140.2	139.8	176.8	-66.6	93.5	0	0	0	110.7	R1160 F1161 L1162	L1158-R1160 HydrophobicContact CB-CG 4.23Å; L1158-R1160 PolarHBondContact O-N 3.4Å; L1158-R1160 VanDerWaalsContact O-N 3.12Å; L1158-F1161 HydrophobicContact CB-CD2 4.08Å; L1158-F1161 HydrophobicContact CD1-CD2 3.99Å; L1158-F1161 HydrophobicContact CD1-CE2 4.04Å; L1158-F1161 PolarHBondContact O-N 3.47Å; L1158-L1162 PolarHBondContact O-N 2.84Å
1159	A	68.1	Low	68.4	Low	46 Å²	46	81 Å²	81	38%	0.38	40%	0.402	S	S	.	.	H	α-helix	trans	-53.3	-32	176.5	0	0	0	0	0	113.8	H1147 F1161 L1162 R1163	H1147-A1159 PolarHBondContact CD2-N 3.37Å; H1147-A1159 VanDerWaalsContact CD2-N 3.32Å; A1159-F1161 VanDerWaalsContact C-N 3.35Å; A1159-F1161 PolarHBondContact O-N 3.29Å; A1159-L1162 PolarHBondContact O-N 2.93Å; A1159-R1163 WeakPolarHBondContact O-CG 3.47Å; A1159-R1163 PolarHBondContact O-N 2.79Å
1160	R	75.4	Confident	67.7	Low	144 Å²	144	88.3 Å²	88.3	54%	0.543	44%	0.436	S	S	.	.	H	α-helix	trans	-62.6	-38.7	175	77.2	-176.9	-175.2	-159.1	4.2	113.1	L1158 R1163 N1164	L1158-R1160 HydrophobicContact CB-CG 4.23Å; L1158-R1160 PolarHBondContact O-N 3.4Å; L1158-R1160 VanDerWaalsContact O-N 3.12Å; R1160-R1163 PolarHBondContact O-N 3.24Å; R1160-N1164 WeakPolarHBondContact O-CB 3.47Å; R1160-N1164 PolarHBondContact O-N 3.37Å; R1160-N1164 PolarHBondContact O-OD1 2.96Å
1161	F	70.4	Confident	67.6	Low	100 Å²	100	83.1 Å²	83.1	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-77.3	-29.1	178	-67.3	-55.7	0	0	0	111.6	F1156 L1158 A1159 H1165	F1156-F1161 HydrophobicContact CD1-CB 4.21Å; L1158-F1161 HydrophobicContact CB-CD2 4.08Å; L1158-F1161 HydrophobicContact CD1-CD2 3.99Å; L1158-F1161 HydrophobicContact CD1-CE2 4.04Å; L1158-F1161 PolarHBondContact O-N 3.47Å; A1159-F1161 VanDerWaalsContact C-N 3.35Å; A1159-F1161 PolarHBondContact O-N 3.29Å; F1161-H1165 VanDerWaalsContact O-CB 3.22Å; F1161-H1165 WeakPolarHBondContact O-CB 3.43Å; F1161-H1165 PolarHBondContact O-N 2.95Å; F1161-H1165 VanDerWaalsContact O-N 3.09Å
1162	L	77.4	Confident	67.1	Low	20 Å²	20	82.2 Å²	82.2	11%	0.105	42%	0.423	C	S	.	.	H	α-helix	trans	-64.3	-48.9	167.3	174.9	58.6	0	0	0	111	H1147 C1149 F1156 L1158 A1159 N1164 H1165 Q1166	H1147-L1162 HydrophobicContact CB-CB 4.06Å; H1147-L1162 HydrophobicContact CB-CD2 3.8Å; C1149-L1162 HydrophobicContact CB-CD1 3.6Å; F1156-L1162 HydrophobicContact CB-CB 4.49Å; F1156-L1162 HydrophobicContact CD2-CB 4.34Å; F1156-L1162 HydrophobicContact CD2-CD1 4.09Å; F1156-L1162 HydrophobicContact CE2-CD1 4.4Å; L1158-L1162 PolarHBondContact O-N 2.84Å; A1159-L1162 PolarHBondContact O-N 2.93Å; L1162-N1164 PolarHBondContact O-N 2.85Å; L1162-H1165 CarbonylContact O-C 3.58Å; L1162-H1165 WeakPolarHBondContact O-CA 3.32Å; L1162-H1165 WeakPolarHBondContact O-CB 3.47Å; L1162-H1165 PolarHBondContact O-N 3.2Å; L1162-Q1166 HydrophobicContact CD1-CG 3.95Å; L1162-Q1166 HydrophobicContact CG-CG 4.29Å; L1162-Q1166 WeakPolarHBondContact O-CG 3.45Å; L1162-Q1166 PolarHBondContact O-N 3.22Å
1163	R	71.9	Confident	66.5	Low	171 Å²	171	84 Å²	84	65%	0.645	44%	0.441	S	S	*	.	H	α-helix	trans	-61.8	-45.4	178.4	-69.5	-168.8	-53.9	-168.9	7.6	113	A1159 R1160 H1165 Q1166 K1167	A1159-R1163 WeakPolarHBondContact O-CG 3.47Å; A1159-R1163 PolarHBondContact O-N 2.79Å; R1160-R1163 PolarHBondContact O-N 3.24Å; R1163-H1165 PolarHBondContact O-N 2.84Å; R1163-Q1166 PolarHBondContact O-N 3.08Å; R1163-Q1166 VanDerWaalsContact O-N 3.15Å; R1163-K1167 PolarHBondContact O-N 3.36Å
1164	N	70.5	Confident	66.4	Low	109 Å²	109	83.2 Å²	83.2	58%	0.583	43%	0.426	S	S	*	.	H	α-helix	trans	-63	-22.5	173.9	-73.5	45	0	0	0	112.8	R1160 L1162	R1160-N1164 WeakPolarHBondContact O-CB 3.47Å; R1160-N1164 PolarHBondContact O-N 3.37Å; R1160-N1164 PolarHBondContact O-OD1 2.96Å; L1162-N1164 PolarHBondContact O-N 2.85Å
1165	H	74.5	Confident	66.1	Low	28 Å²	28	82 Å²	82	13%	0.13	43%	0.431	C	S	.	.	H	α-helix	trans	-87.6	-32	172.9	175.7	58.1	0	0	0	112.9	C1152 F1156 F1161 L1162 R1163 K1167 V1168 H1169	C1152-H1165 PolarHBondContact SG-NE2 3.5Å; F1156-H1165 HydrophobicContact CE1-CB 4.26Å; F1156-H1165 HydrophobicContact CE2-CB 4.08Å; F1156-H1165 AromaticContact CE2-CD2 3.24Å; F1156-H1165 WeakPolarHBondContact CE2-CD2 3.47Å; F1156-H1165 AromaticContact CE2-CG 3.75Å; F1156-H1165 AromaticContact CE2-NE2 3.95Å; F1156-H1165 HydrophobicContact CZ-CB 3.74Å; F1156-H1165 AromaticContact CZ-CD2 3.33Å; F1156-H1165 WeakPolarHBondContact CZ-CD2 3.1Å; F1156-H1165 AromaticContact CZ-CG 3.4Å; F1156-H1165 VanDerWaalsContact CZ-CG 3.4Å; F1156-H1165 AromaticContact CZ-NE2 3.9Å; F1161-H1165 VanDerWaalsContact O-CB 3.22Å; F1161-H1165 WeakPolarHBondContact O-CB 3.43Å; F1161-H1165 PolarHBondContact O-N 2.95Å; F1161-H1165 VanDerWaalsContact O-N 3.09Å; L1162-H1165 CarbonylContact O-C 3.58Å; L1162-H1165 WeakPolarHBondContact O-CA 3.32Å; L1162-H1165 WeakPolarHBondContact O-CB 3.47Å; L1162-H1165 PolarHBondContact O-N 3.2Å; R1163-H1165 PolarHBondContact O-N 2.84Å; H1165-K1167 VanDerWaalsContact C-N 3.28Å; H1165-K1167 PolarHBondContact O-N 2.85Å; H1165-V1168 VanDerWaalsContact O-CB 3.3Å; H1165-V1168 WeakPolarHBondContact O-CB 3.49Å; H1165-V1168 PolarHBondContact O-N 3.34Å; H1165-H1169 AromaticContact CD2-NE2 3.79Å; H1165-H1169 AromaticContact CE1-NE2 3.25Å; H1165-H1169 PolarHBondContact CE1-NE2 3.24Å; H1165-H1169 VanDerWaalsContact CE1-NE2 3.25Å; H1165-H1169 AromaticContact NE2-CD2 3.96Å; H1165-H1169 AromaticContact NE2-NE2 3.06Å; H1165-H1169 PolarHBondContact NE2-NE2 2.79Å; H1165-H1169 PolarHBondContact O-CD2 3.47Å; H1165-H1169 VanDerWaalsContact O-CD2 3.22Å
1166	Q	68.9	Low	65.7	Low	80 Å²	80	83.6 Å²	83.6	37%	0.374	43%	0.433	S	S	.	.	H	α-helix	trans	-62	-39	171.1	-73.4	173.1	-74.5	0	0	110.7	L1162 R1163 V1168 H1169 E1170	L1162-Q1166 HydrophobicContact CD1-CG 3.95Å; L1162-Q1166 HydrophobicContact CG-CG 4.29Å; L1162-Q1166 WeakPolarHBondContact O-CG 3.45Å; L1162-Q1166 PolarHBondContact O-N 3.22Å; R1163-Q1166 PolarHBondContact O-N 3.08Å; R1163-Q1166 VanDerWaalsContact O-N 3.15Å; Q1166-V1168 PolarHBondContact O-N 3.02Å; Q1166-V1168 VanDerWaalsContact O-N 3.15Å; Q1166-H1169 WeakPolarHBondContact O-CA 3.31Å; Q1166-H1169 WeakPolarHBondContact O-CB 3.37Å; Q1166-H1169 PolarHBondContact O-N 3.39Å; Q1166-E1170 PolarHBondContact O-N 3.43Å
1167	K	70.9	Confident	65.2	Low	93 Å²	93	82.8 Å²	82.8	40%	0.404	44%	0.44	S	S	.	.	H	α-helix	trans	-54.1	-28.8	168.3	-81.5	-174.1	154.2	-67.9	0	114.2	R1163 H1165 H1169 E1170 E1171	R1163-K1167 PolarHBondContact O-N 3.36Å; H1165-K1167 VanDerWaalsContact C-N 3.28Å; H1165-K1167 PolarHBondContact O-N 2.85Å; K1167-H1169 VanDerWaalsContact C-N 3.28Å; K1167-H1169 PolarHBondContact O-N 3.01Å; K1167-E1170 PolarHBondContact O-N 3.24Å; K1167-E1171 IonicContact NZ-OE1 2.8Å; K1167-E1171 PolarHBondContact NZ-OE1 3.37Å; K1167-E1171 VanDerWaalsContact O-CB 3.25Å; K1167-E1171 WeakPolarHBondContact O-CB 3.32Å; K1167-E1171 PolarHBondContact O-N 3.48Å
1168	V	64.4	Low	65.2	Low	65 Å²	65	78.2 Å²	78.2	39%	0.394	42%	0.424	S	S	.	.	H	α-helix	trans	-73.9	-18.7	175.7	-169.3	0	0	0	0	112.4	H1165 Q1166 Q1186	H1165-V1168 VanDerWaalsContact O-CB 3.3Å; H1165-V1168 WeakPolarHBondContact O-CB 3.49Å; H1165-V1168 PolarHBondContact O-N 3.34Å; Q1166-V1168 PolarHBondContact O-N 3.02Å; Q1166-V1168 VanDerWaalsContact O-N 3.15Å; V1168-Q1186 HydrophobicContact CG2-CG 4.33Å
1169	H	65.8	Low	64.4	Low	78 Å²	78	80.7 Å²	80.7	36%	0.361	45%	0.445	S	S	.	.	H	α-helix	trans	-93.7	-11.5	171.8	-58.8	-82.6	0	0	0	112.9	C1149 T1151 C1152 H1165 Q1166 K1167	C1149-H1169 PolarHBondContact SG-NE2 3.44Å; T1151-H1169 HydrophobicContact CG2-CB 4.09Å; C1152-H1169 PolarHBondContact SG-CE1 3.19Å; C1152-H1169 PolarHBondContact SG-NE2 2.97Å; C1152-H1169 VanDerWaalsContact SG-NE2 3.35Å; H1165-H1169 AromaticContact CD2-NE2 3.79Å; H1165-H1169 AromaticContact CE1-NE2 3.25Å; H1165-H1169 PolarHBondContact CE1-NE2 3.24Å; H1165-H1169 VanDerWaalsContact CE1-NE2 3.25Å; H1165-H1169 AromaticContact NE2-CD2 3.96Å; H1165-H1169 AromaticContact NE2-NE2 3.06Å; H1165-H1169 PolarHBondContact NE2-NE2 2.79Å; H1165-H1169 PolarHBondContact O-CD2 3.47Å; H1165-H1169 VanDerWaalsContact O-CD2 3.22Å; Q1166-H1169 WeakPolarHBondContact O-CA 3.31Å; Q1166-H1169 WeakPolarHBondContact O-CB 3.37Å; Q1166-H1169 PolarHBondContact O-N 3.39Å; K1167-H1169 VanDerWaalsContact C-N 3.28Å; K1167-H1169 PolarHBondContact O-N 3.01Å
1170	E	60.6	Low	64.2	Low	153 Å²	153	82.4 Å²	82.4	72%	0.715	45%	0.454	S	S	*	.	H	α-helix	trans	-105.5	-43.2	-173.1	-163.8	168.7	-135	0	0	110.2	Q1166 K1167 G1172	Q1166-E1170 PolarHBondContact O-N 3.43Å; K1167-E1170 PolarHBondContact O-N 3.24Å; E1170-G1172 PolarHBondContact O-N 2.94Å
1171	E	55.7	Low	63.9	Low	71 Å²	71	77.7 Å²	77.7	33%	0.332	44%	0.443	S	S	.	.			trans	-89.3	64.9	172.1	-59.1	163.9	-178.3	0	0	109.9	K1167 A1173 Q1186	K1167-E1171 IonicContact NZ-OE1 2.8Å; K1167-E1171 PolarHBondContact NZ-OE1 3.37Å; K1167-E1171 VanDerWaalsContact O-CB 3.25Å; K1167-E1171 WeakPolarHBondContact O-CB 3.32Å; K1167-E1171 PolarHBondContact O-N 3.48Å; E1171-A1173 PolarHBondContact O-N 3.14Å; E1171-Q1186 PolarHBondContact OE2-NE2 3.22Å
1172	G	49.3	Very low	63.5	Low	78 Å²	78	75.9 Å²	75.9	80%	0.804	45%	0.453	S	S	*	.			trans	-59.4	-15	-177.1	0	0	0	0	0	115.4	E1170	E1170-G1172 PolarHBondContact O-N 2.94Å
1173	A	52.3	Low	62.8	Low	86 Å²	86	81.1 Å²	81.1	71%	0.711	48%	0.475	S	S	*	.	S	Bend	trans	-111.2	110.3	167.8	0	0	0	0	0	110	E1171	E1171-A1173 PolarHBondContact O-N 3.14Å
1174	T	52.3	Low	62.5	Low	35 Å²	35	76.4 Å²	76.4	22%	0.215	47%	0.467	C	S	.	.			trans	-79.3	121	176.7	52.7	0	0	0	0	111.1	F1176 S1184 Q1186	T1174-F1176 VanDerWaalsContact C-N 3.26Å; T1174-F1176 PolarHBondContact O-N 3.48Å; T1174-F1176 VanDerWaalsContact O-N 3.1Å; T1174-S1184 WeakPolarHBondContact OG1-CB 3.39Å; T1174-S1184 PolarHBondContact OG1-OG 3Å; T1174-Q1186 VanDerWaalsContact CG2-OE1 3.32Å
1175	P	60	Low	62.3	Low	100 Å²	100	73.6 Å²	73.6	65%	0.649	45%	0.45	S	S	*	.	S	Bend	trans	-76.8	3.5	-168.5	29.5	-36.4	0	0	0	115.9
1176	F	57.1	Low	61.8	Low	62 Å²	62	76 Å²	76	27%	0.272	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	83.5	-179.8	-56.4	-69.2	0	0	0	111.5	T1174 F1185 G1187 R1188 L1191	T1174-F1176 VanDerWaalsContact C-N 3.26Å; T1174-F1176 PolarHBondContact O-N 3.48Å; T1174-F1176 VanDerWaalsContact O-N 3.1Å; F1176-F1185 PolarHBondContact O-N 3.06Å; F1176-G1187 VanDerWaalsContact CD2-CA 3.44Å; F1176-R1188 HydrophobicContact CD1-CG 3.79Å; F1176-R1188 HydrophobicContact CE1-CG 3.54Å; F1176-R1188 HydrophobicContact CE2-CG 4.28Å; F1176-R1188 HydrophobicContact CG-CG 4.29Å; F1176-R1188 HydrophobicContact CZ-CG 3.8Å; F1176-L1191 HydrophobicContact CB-CD2 4.33Å
1177	G	63.3	Low	61.7	Low	38 Å²	38	73.2 Å²	73.2	39%	0.392	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	148.6	166.8	0	0	0	0	0	112.4
1178	C	67.2	Low	61.2	Low	9 Å²	9	77.8 Å²	77.8	6%	0.061	47%	0.468	C	S	.	.			trans	-82.1	116.7	160.9	178.8	0	0	0	0	109	S1180 C1181 G1182 K1183 F1185 L1191 H1194	C1178-S1180 PolarHBondContact O-N 3.35Å; C1178-C1181 PolarHBondContact O-N 2.8Å; C1178-G1182 WeakPolarHBondContact O-CA 3.43Å; C1178-G1182 PolarHBondContact O-N 3.28Å; C1178-K1183 PolarHBondContact N-O 3.26Å; C1178-F1185 HydrophobicContact CB-CE2 4.27Å; C1178-L1191 HydrophobicContact CB-CD1 3.58Å; C1178-H1194 VanDerWaalsContact SG-CD2 3.52Å
1179	P	57.1	Low	61.2	Low	128 Å²	128	79.6 Å²	79.6	83%	0.831	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.3	-179	25.8	-34.1	0	0	0	112.7
1180	S	62.3	Low	61.3	Low	83 Å²	83	77 Å²	77	58%	0.58	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.9	-178.7	-45.9	0	0	0	0	114.7	C1178 C1196	C1178-S1180 PolarHBondContact O-N 3.35Å; S1180-C1196 VanDerWaalsContact CB-SG 3.52Å
1181	C	69.4	Low	61.7	Low	44 Å²	44	71.9 Å²	71.9	30%	0.297	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	11.2	-179.3	71.1	0	0	0	0	116	C1178 K1183 H1194 C1196	C1178-C1181 PolarHBondContact O-N 2.8Å; C1181-K1183 PolarHBondContact O-N 3.43Å; C1181-H1194 PolarHBondContact SG-NE2 3.47Å; C1181-C1196 VanDerWaalsContact CB-SG 3.6Å
1182	G	61.8	Low	62.1	Low	63 Å²	63	72.9 Å²	72.9	65%	0.649	48%	0.476	S	S	*	.			trans	67.9	-12.1	178.4	0	0	0	0	0	116.2	C1178 S1184	C1178-G1182 WeakPolarHBondContact O-CA 3.43Å; C1178-G1182 PolarHBondContact O-N 3.28Å; G1182-S1184 PolarHBondContact O-N 3.09Å
1183	K	63.1	Low	62.8	Low	130 Å²	130	79.2 Å²	79.2	57%	0.565	48%	0.476	S	S	*	.			trans	-65.4	129.3	-175.9	-68.9	169.4	-170.5	160.4	0	110.7	C1178 C1181 F1185	C1178-K1183 PolarHBondContact N-O 3.26Å; C1181-K1183 PolarHBondContact O-N 3.43Å; K1183-F1185 HydrophobicContact CB-CE2 4.14Å; K1183-F1185 HydrophobicContact CB-CZ 4.05Å; K1183-F1185 WeakPolarHBondContact O-CD2 3.14Å; K1183-F1185 WeakPolarHBondContact O-CE2 3.42Å
1184	S	65	Low	63.7	Low	71 Å²	71	77.5 Å²	77.5	50%	0.497	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.3	-171.1	77.1	0	0	0	0	112.6	T1174 G1182	T1174-S1184 WeakPolarHBondContact OG1-CB 3.39Å; T1174-S1184 PolarHBondContact OG1-OG 3Å; G1182-S1184 PolarHBondContact O-N 3.09Å
1185	F	67.5	Low	64.1	Low	51 Å²	51	87.1 Å²	87.1	22%	0.224	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.4	-168.3	-57.2	-82	0	0	0	112.1	F1176 C1178 K1183 G1187 L1191 H1194	F1176-F1185 PolarHBondContact O-N 3.06Å; C1178-F1185 HydrophobicContact CB-CE2 4.27Å; K1183-F1185 HydrophobicContact CB-CE2 4.14Å; K1183-F1185 HydrophobicContact CB-CZ 4.05Å; K1183-F1185 WeakPolarHBondContact O-CD2 3.14Å; K1183-F1185 WeakPolarHBondContact O-CE2 3.42Å; F1185-G1187 PolarHBondContact O-N 3.28Å; F1185-L1191 HydrophobicContact CD2-CB 4.1Å; F1185-L1191 HydrophobicContact CD2-CD1 4.19Å; F1185-L1191 HydrophobicContact CE2-CD1 4.19Å; F1185-H1194 HydrophobicContact CE1-CB 4.44Å; F1185-H1194 HydrophobicContact CE2-CB 4.01Å; F1185-H1194 HydrophobicContact CZ-CB 3.69Å; F1185-H1194 AromaticContact CZ-CG 3.72Å
1186	Q	62.8	Low	63.6	Low	79 Å²	79	84.4 Å²	84.4	37%	0.369	47%	0.469	S	S	.	.	S	Bend	trans	-70.3	23.6	177.8	-150.2	86.4	30.9	0	0	114.7	V1168 E1171 T1174	V1168-Q1186 HydrophobicContact CG2-CG 4.33Å; E1171-Q1186 PolarHBondContact OE2-NE2 3.22Å; T1174-Q1186 VanDerWaalsContact CG2-OE1 3.32Å
1187	G	67.9	Low	63.4	Low	20 Å²	20	84.8 Å²	84.8	21%	0.206	49%	0.49	C	S	.	.	S	Bend	trans	161	152.2	178.8	0	0	0	0	0	114.9	F1176 F1185 S1189 G1190 L1191	F1176-G1187 VanDerWaalsContact CD2-CA 3.44Å; F1185-G1187 PolarHBondContact O-N 3.28Å; G1187-S1189 PolarHBondContact O-N 2.76Å; G1187-S1189 VanDerWaalsContact O-N 3.11Å; G1187-G1190 WeakPolarHBondContact O-CA 3.48Å; G1187-G1190 PolarHBondContact O-N 2.87Å; G1187-L1191 PolarHBondContact O-N 3.25Å
1188	R	59.7	Low	62.4	Low	189 Å²	189	89.1 Å²	89.1	71%	0.713	50%	0.504	S	S	*	.	H	α-helix	trans	-50.9	-35.7	179.8	-65.3	-174.2	179.2	-173.7	-0.3	113.6	F1176 G1190 L1191 A1192	F1176-R1188 HydrophobicContact CD1-CG 3.79Å; F1176-R1188 HydrophobicContact CE1-CG 3.54Å; F1176-R1188 HydrophobicContact CE2-CG 4.28Å; F1176-R1188 HydrophobicContact CG-CG 4.29Å; F1176-R1188 HydrophobicContact CZ-CG 3.8Å; R1188-G1190 VanDerWaalsContact C-N 3.28Å; R1188-G1190 PolarHBondContact O-N 2.86Å; R1188-L1191 PolarHBondContact O-N 2.86Å; R1188-A1192 VanDerWaalsContact O-CB 3.3Å; R1188-A1192 WeakPolarHBondContact O-CB 3.46Å; R1188-A1192 PolarHBondContact O-N 3.09Å
1189	S	64.8	Low	61.2	Low	104 Å²	104	96.3 Å²	96.3	73%	0.727	54%	0.542	S	S	*	.	H	α-helix	trans	-71.2	-16.7	177.3	-41.6	0	0	0	0	114.8	G1187	G1187-S1189 PolarHBondContact O-N 2.76Å; G1187-S1189 VanDerWaalsContact O-N 3.11Å
1190	G	67.3	Low	60.2	Low	24 Å²	24	99.1 Å²	99.1	25%	0.247	54%	0.544	C	S	.	.	H	α-helix	trans	-75.7	-51.7	168.5	0	0	0	0	0	110.4	G1187 R1188 R1193 H1194	G1187-G1190 WeakPolarHBondContact O-CA 3.48Å; G1187-G1190 PolarHBondContact O-N 2.87Å; R1188-G1190 VanDerWaalsContact C-N 3.28Å; R1188-G1190 PolarHBondContact O-N 2.86Å; G1190-R1193 PolarHBondContact O-N 2.89Å; G1190-H1194 PolarHBondContact O-N 2.82Å
1191	L	70.4	Confident	58.8	Low	44 Å²	44	102.5 Å²	102.5	23%	0.23	56%	0.561	C	S	.	*	H	α-helix	trans	-61.1	-47.2	177.9	178.1	57.9	0	0	0	112.7	F1176 C1178 F1185 G1187 R1188 R1193 H1194	F1176-L1191 HydrophobicContact CB-CD2 4.33Å; C1178-L1191 HydrophobicContact CB-CD1 3.58Å; F1185-L1191 HydrophobicContact CD2-CB 4.1Å; F1185-L1191 HydrophobicContact CD2-CD1 4.19Å; F1185-L1191 HydrophobicContact CE2-CD1 4.19Å; G1187-L1191 PolarHBondContact O-N 3.25Å; R1188-L1191 PolarHBondContact O-N 2.86Å; L1191-R1193 PolarHBondContact O-N 3.19Å; L1191-H1194 WeakPolarHBondContact O-CB 3.19Å; L1191-H1194 PolarHBondContact O-N 2.77Å
1192	A	62.6	Low	56.9	Low	92 Å²	92	103.8 Å²	103.8	76%	0.76	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-12.7	179.8	0	0	0	0	0	114.5	R1188	R1188-A1192 VanDerWaalsContact O-CB 3.3Å; R1188-A1192 WeakPolarHBondContact O-CB 3.46Å; R1188-A1192 PolarHBondContact O-N 3.09Å
1193	R	64.4	Low	55.3	Low	211 Å²	211	110 Å²	110	80%	0.796	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-9.3	173	-173	173.6	55.7	167	-1.4	112.4	G1190 L1191 R1195	G1190-R1193 PolarHBondContact O-N 2.89Å; L1191-R1193 PolarHBondContact O-N 3.19Å; R1193-R1195 PolarHBondContact O-N 2.85Å
1194	H	71	Confident	54	Low	50 Å²	50	112.6 Å²	112.6	23%	0.231	61%	0.61	C	S	.	*			trans	-82.2	106.9	170.5	171.3	70.5	0	0	0	109.1	C1178 C1181 F1185 G1190 L1191	C1178-H1194 VanDerWaalsContact SG-CD2 3.52Å; C1181-H1194 PolarHBondContact SG-NE2 3.47Å; F1185-H1194 HydrophobicContact CE1-CB 4.44Å; F1185-H1194 HydrophobicContact CE2-CB 4.01Å; F1185-H1194 HydrophobicContact CZ-CB 3.69Å; F1185-H1194 AromaticContact CZ-CG 3.72Å; G1190-H1194 PolarHBondContact O-N 2.82Å; L1191-H1194 WeakPolarHBondContact O-CB 3.19Å; L1191-H1194 PolarHBondContact O-N 2.77Å
1195	R	60.5	Low	52.3	Low	237 Å²	237	115.1 Å²	115.1	89%	0.894	62%	0.622	S	S	*	*			trans	-82	125.1	161.3	-82.6	-178.9	160.8	174.8	-7.9	108.6	R1193	R1193-R1195 PolarHBondContact O-N 2.85Å
1196	C	50.9	Low	50.4	Low	44 Å²	44	123.2 Å²	123.2	30%	0.297	65%	0.651	S	S	.	*			trans	-76.2	157.3	163.3	-146	0	0	0	0	109.8	S1180 C1181 D1198	S1180-C1196 VanDerWaalsContact CB-SG 3.52Å; C1181-C1196 VanDerWaalsContact CB-SG 3.6Å; C1196-D1198 PolarHBondContact SG-OD2 2.84Å
1197	G	53.3	Low	48.8	Very low	69 Å²	69	130.7 Å²	130.7	71%	0.711	68%	0.676	S	S	*	*			trans	-93.7	-2.1	-164.8	0	0	0	0	0	115.7	N1199	G1197-N1199 PolarHBondContact O-N 3.45Å
1198	D	41.3	Very low	47	Very low	129 Å²	129	139.7 Å²	139.7	69%	0.69	71%	0.709	S	S	*	*			trans	-88.1	74.8	-158.3	-50.4	-79.7	0	0	0	112.2	C1196	C1196-D1198 PolarHBondContact SG-OD2 2.84Å
1199	N	41.6	Very low	45.3	Very low	160 Å²	160	135.1 Å²	135.1	86%	0.856	71%	0.711	S	S	*	*	S	Bend	trans	-152.8	31	167.3	-130	-8.1	0	0	0	113.4	G1197	G1197-N1199 PolarHBondContact O-N 3.45Å
1200	Q	37.4	Very low	43.4	Very low	188 Å²	188	134.8 Å²	134.8	88%	0.879	72%	0.715	S	S	*	*			trans	-143.2	76.2	172.8	-71.9	-171.5	45.8	0	0	111.3
1201	V	32.9	Very low	41.5	Very low	154 Å²	154	138 Å²	138	93%	0.933	74%	0.739	S	S	*	*			trans	-135.4	109	162.4	-179.3	0	0	0	0	107.3
1202	G	29.7	Very low	40.5	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	77%	0.765	S	S	*	*	S	Bend	trans	160.9	100.6	-179.3	0	0	0	0	0	114.7
1203	M	28.4	Very low	39.8	Very low	195 Å²	195	143.2 Å²	143.2	96%	0.961	77%	0.768	S	S	*	*			trans	62.8	95	162.4	-59.3	-167.7	174.7	0	0	119
1204	E	34.8	Very low	38.1	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	76%	0.762	S	S	*	*			trans	-64.8	166	147.3	-46.5	177	170	0	0	111.6
1205	V	28.7	Very low	36.1	Very low	124 Å²	124	143.1 Å²	143.1	75%	0.752	79%	0.794	S	S	*	*			trans	167.8	146.9	130.1	150.1	0	0	0	0	113.5
1206	R	27.2	Very low	34.7	Very low	221 Å²	221	135 Å²	135	83%	0.834	78%	0.784	S	S	*	*			trans	67.2	122.2	171.3	-89.8	172.9	158.3	97.8	-5.9	116.5
1207	R	30.6	Very low	33.7	Very low	236 Å²	236	142.4 Å²	142.4	89%	0.891	81%	0.814	S	S	*	*			cis	91.8	141	24.3	-60.5	-179	-169.7	175	4.7	115.8
1208	K	29.3	Very low	32.5	Very low	209 Å²	209	147.5 Å²	147.5	91%	0.909	82%	0.82	S	S	*	*			trans	80.5	144	170	-72.1	-166.5	172.8	-169.2	0	116.7
1209	A	24.9	Very low	31.8	Very low	92 Å²	92	145.4 Å²	145.4	76%	0.76	81%	0.814	S	S	*	*			cis	-159	162.6	-8.7	0	0	0	0	0	115.2
1210	A	24.1	Very low	31.3	Very low	97 Å²	97	147 Å²	147	80%	0.802	81%	0.808	S	S	*	*			trans	-41.6	166.1	153.6	0	0	0	0	0	116.9
1211	A	27.8	Very low	30.8	Very low	91 Å²	91	148.2 Å²	148.2	75%	0.752	81%	0.806	S	S	*	*			cis	-153.7	-106.8	-8.5	0	0	0	0	0	116.2
1212	P	49.9	Very low	30.7	Very low	118 Å²	118	144.8 Å²	144.8	77%	0.766	79%	0.786	S	S	*	*				-113.2	-169	-119.6	40	-26.6	0	0	0	113.9
1213	P	48.2	Very low	30.6	Very low	129 Å²	129	150.7 Å²	150.7	84%	0.838	79%	0.787	S	S	*	*			cis	-132.5	-176.3	2.4	43	-25.7	0	0	0	116.4
1214	G	28.1	Very low	30.5	Very low	64 Å²	64	148.1 Å²	148.1	66%	0.66	78%	0.775	S	S	*	*			trans	154.7	114.4	166.3	0	0	0	0	0	114.2
1215	E	28.3	Very low	30.4	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	77%	0.771	S	S	*	*			trans	-51.2	158.7	-179.6	-53.5	98.1	-91.3	0	0	116.3
1216	G	30.6	Very low	30.2	Very low	66 Å²	66	146.4 Å²	146.4	68%	0.68	78%	0.775	S	S	*	*			cis	172.4	161	-3.3	0	0	0	0	0	112.6
1217	E	29.9	Very low	30.3	Very low	200 Å²	200	143.3 Å²	143.3	94%	0.935	78%	0.775	S	S	*	*			trans	60.1	143.4	162.2	-72	163.8	-163.9	0	0	120.6
1218	E	29.2	Very low	30.7	Very low	177 Å²	177	137.9 Å²	137.9	83%	0.827	77%	0.77	S	S	*	*			cis	-143	161.5	-9.1	-176.8	165.4	-159.7	0	0	113.2
1219	C	26.1	Very low	30.6	Very low	84 Å²	84	132 Å²	132	57%	0.568	76%	0.761	S	S	*	*			trans	-54	178.6	172.2	-66.3	0	0	0	0	118.1
1220	R	32.1	Very low	30.8	Very low	195 Å²	195	132.8 Å²	132.8	74%	0.736	76%	0.761	S	S	*	*			cis	-169.2	165	-23.5	-105.1	175.2	158.3	88.5	-4.2	110.2
1221	Y	26.9	Very low	31	Very low	212 Å²	212	136.8 Å²	136.8	83%	0.831	77%	0.768	S	S	*	*			trans	138	100.7	140.8	-91.2	-94.1	0	0	0	110.8
1222	T	29.8	Very low	30.9	Very low	83 Å²	83	135.5 Å²	135.5	51%	0.509	76%	0.763	S	S	.	*				77.4	140.1	50.1	76.2	0	0	0	0	113.6
1223	Y	27.8	Very low	30.7	Very low	193 Å²	193	135.2 Å²	135.2	76%	0.757	76%	0.761	S	S	*	*			cis	-163.8	164.2	7.2	-129.8	-162.2	0	0	0	115
1224	M	26.3	Very low	29.6	Very low	142 Å²	142	139.9 Å²	139.9	70%	0.7	76%	0.764	S	S	*	*			trans	54	137.9	155.5	-60.9	-158.4	-66.7	0	0	120.8
1225	I	31.7	Very low	29.5	Very low	151 Å²	151	141.3 Å²	141.3	77%	0.774	77%	0.77	S	S	*	*			cis	86.5	116.6	35.4	-61.5	165.4	0	0	0	114.1
1226	S	25.9	Very low	29.4	Very low	121 Å²	121	138 Å²	138	85%	0.846	77%	0.766	S	S	*	*			trans	176.6	159.4	133.4	-80.8	0	0	0	0	115
1227	N	29.2	Very low	29.1	Very low	155 Å²	155	146 Å²	146	83%	0.829	78%	0.776	S	S	*	*			trans	-95.7	-168.4	163.5	-133.9	4.7	0	0	0	108
1228	P	39.7	Very low	28.9	Very low	122 Å²	122	144 Å²	144	79%	0.792	77%	0.772	S	S	*	*			cis	-137.7	-122.7	21.9	41.1	-17.1	0	0	0	114.3
1229	A	26.8	Very low	28.8	Very low	85 Å²	85	139.5 Å²	139.5	70%	0.702	76%	0.76	S	S	*	*			trans	-141.6	169.5	-159.9	0	0	0	0	0	116
1230	S	28.4	Very low	28.8	Very low	110 Å²	110	142 Å²	142	77%	0.769	77%	0.768	S	S	*	*			trans	58.9	117.6	159.2	59.6	0	0	0	0	120.9
1231	L	28.1	Very low	28.4	Very low	181 Å²	181	142 Å²	142	95%	0.948	77%	0.773	S	S	*	*				-179.1	165.1	127.8	-96.1	162	0	0	0	110
1232	G	26.6	Very low	28.4	Very low	63 Å²	63	136.1 Å²	136.1	65%	0.649	76%	0.763	S	S	*	*			trans	-107.8	-156.4	165.6	0	0	0	0	0	110.7
1233	P	44.2	Very low	28.3	Very low	113 Å²	113	140.6 Å²	140.6	73%	0.734	78%	0.778	S	S	*	*			cis	-139.1	-161.8	2.5	23.5	4.6	0	0	0	114
1234	Y	26.1	Very low	28.4	Very low	226 Å²	226	136.9 Å²	136.9	89%	0.886	78%	0.775	S	S	*	*			trans	82.6	152	154.5	-76.6	-66.6	0	0	0	124.4
1235	A	25.4	Very low	28.3	Very low	95 Å²	95	141.1 Å²	141.1	79%	0.785	78%	0.784	S	S	*	*			trans	84.1	122.6	147.9	0	0	0	0	0	121
1236	C	26	Very low	28.2	Very low	123 Å²	123	139.2 Å²	139.2	83%	0.831	78%	0.779	S	S	*	*			trans	-89.1	156.8	160.7	-46.7	0	0	0	0	110.3
1237	R	25.2	Very low	28.5	Very low	235 Å²	235	144.4 Å²	144.4	89%	0.887	80%	0.798	S	S	*	*				-172.3	164.3	123.4	-101.9	161.4	82.9	156.9	4.6	112.3
1238	N	26.4	Very low	28.5	Very low	158 Å²	158	143.9 Å²	143.9	85%	0.845	80%	0.796	S	S	*	*			trans	-88.4	-157.3	174.9	-63.2	-24.1	0	0	0	110.5
1239	S	26	Very low	27.9	Very low	82 Å²	82	145.1 Å²	145.1	57%	0.573	80%	0.796	S	S	*	*			trans	81.9	94.8	160.7	40.9	0	0	0	0	118.7
1240	D	25.5	Very low	28	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	80%	0.802	S	S	*	*				81.8	159	117.9	-49	-31.4	0	0	0	121.8
1241	F	25.3	Very low	28	Very low	195 Å²	195	150.6 Å²	150.6	86%	0.855	80%	0.803	S	S	*	*			trans	61.4	133.2	-178.5	-64.1	-95.6	0	0	0	115.9
1242	S	26.3	Very low	27.9	Very low	88 Å²	88	148.8 Å²	148.8	62%	0.615	79%	0.794	S	S	*	*			cis	149.8	152	-20.6	51.4	0	0	0	0	106.6
1243	E	28.5	Very low	28	Very low	176 Å²	176	154.5 Å²	154.5	82%	0.822	80%	0.804	S	S	*	*			trans	71.5	119.3	151.6	-104.5	176	-152	0	0	120.9
1244	V	27.9	Very low	26.9	Very low	116 Å²	116	157.4 Å²	157.4	70%	0.703	81%	0.809	S	S	*	*			trans	64.3	140	157.6	-132.5	0	0	0	0	114.9
1245	W	25.9	Very low	26.9	Very low	231 Å²	231	152.2 Å²	152.2	88%	0.875	80%	0.803	S	S	*	*			cis	-134.9	-179.8	26.3	-78.1	60.3	0	0	0	113.9
1246	T	28.1	Very low	27.1	Very low	111 Å²	111	156.9 Å²	156.9	68%	0.681	81%	0.805	S	S	*	*			trans	-51.9	162.9	167.9	50.9	0	0	0	0	114.2
1247	D	33.8	Very low	27.2	Very low	230 Å²	230	160 Å²	160	100%	1.23	80%	0.802	S	S	*	*			cis	-126.9	0	11.4	-80.3	-69.4	0	0	0	113.2

Retrieved 1,247 of 1,247 residues in 501.8 ms (Link to these results)

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