A0A087X3A8_POEFO Loading...

Inter-alpha-trypsin inhibitor heavy chain family member 6

AlphaFold DB , UniProt , Accession A0A087X3A8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,189 aa.

						>A0A087X3A8_POEFO|A0A087X3A8
MKVLRIQCFLLCVYYCVQEGLSGDFKTHLRRNFQFQRTKRQSKPAKPVLKVTDYHVRCSVASRYAVTTIQSSVWNQLPITKEAAFEVDLPSSAFISNFTIASNGKVYVAQVKERAAARKIYDAAKKQGKTAGLVATKEREIEKFRVAVSVPSGTRMSFVLTYEELLPRRLGRYELSLGLRTGQPVQNLTLDVSIHERTGISFIKALPLKTSRLLSNSALGDSSPPASTRVEQSDNCARIYYNPTLQQQTSASPKGLNADFIIQYDVELKDLLGDVQVYDGYFVHFFAPRGLPVVPKDIIFVIDVSGSMIGTKIKQTKQAMNTILGDLREGDHFNIITFSDKVHTWKKGRTVRATRQNVREAKEFVKRINAEGWTNINAALLSAAQLVNPSSSGSSSRPASQRVPLVIFLTDGEATTGVTSGDTILNNAKKALGSVTLFGIAFGDDADFLLLRRLALENRGVARMVYEEADAALQLKGFYDEVANPLLSDVQLSYMDDQAFDITHTLFPNYFQGSELVVAGRVKPGVKDLKVSVSATDSKHNISLEDNVLISSAKENGSRGFLNCSGELEGVSNFVRRLWAYFTIKELLLGKLNATDPATQRLLADKATNLSLKYNFVTPVTSLVVVKPDADEAAQALTTVKPTTTGTTTTTTAITTTATTARPIEMLTTRVPRKPSLRLAKPHPPQQPANKQKTKPLPVSLAKTKAPPTKKTAINPSPSPIKTAPATISGKKLAASQDDPKTPLHSPKLSTSLLNALKTTQPPAPGKTTTIPTTTTMQTLDTSTSPHLTSSRTDPEAGTRRTGPGKTSGPFSEVENRTKSAPDLHQSETPAATLRSPTPASPPDVGHNSSNLDVDTNLSFATLVLGTFAPMPGVTEGPGLWEAAGLLDVSTSIQSEDLNLVTDFDATYNYDYDIGYDTWDDSSDSFEPQSRLNSVRLFSSSVDGDPHFVVQLPKLHQDLCFTVDGRANDVLRLLEDPERGIIVDGHLMGAPPKPGAELRSRTYFDRLTISLPAGSSADIMITLTLDGVVVDGEGREILPTNQQGSVTRQGMTVTVDNHQSCWIELAKGVRFLVLFHHYKHPNHLQMAHLGFYITDGRGLSRSTQGLLGQFQHSDMTVTVTTDRHPKNKDRVQARGILRWAAQQMDVTLQDKTVKDSVQKRHLGKCWVVPKAEIERLLSHSYESYVVNNM
					

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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	52.1	Low	47.4	Very low	243 Å²	243	148.2 Å²	148.2	100%	1.197	72%	0.723	S	S	*	*				0	79	0	-66	146.2	64	0	0	111.8
2	K	46.2	Very low	47	Very low	192 Å²	192	142.9 Å²	142.9	84%	0.835	71%	0.711	S	S	*	*			trans	-132	-8.4	169.6	-79.4	-172.3	176.2	179.1	0	114.8
3	V	45.2	Very low	47.1	Very low	111 Å²	111	138.6 Å²	138.6	67%	0.673	70%	0.697	S	S	*	*	S	Bend	trans	-77.1	-37.9	-176.1	-177.9	0	0	0	0	112.7	R5	V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 3.07Å
4	L	43.3	Very low	46.8	Very low	144 Å²	144	141.2 Å²	141.2	75%	0.754	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-12.5	-166.7	-151.2	72	0	0	0	115.9
5	R	47.9	Very low	46.4	Very low	226 Å²	226	145.1 Å²	145.1	85%	0.853	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-26.5	179.2	-92.5	-172.4	173.3	178	-1.7	114.5	V3	V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 3.07Å
6	I	50.4	Low	45.9	Very low	115 Å²	115	142.8 Å²	142.8	59%	0.59	70%	0.704	S	S	*	*	H	α-helix	trans	-76.9	-35.3	-179.7	-62.8	174.4	0	0	0	110.2	C8 F9 L10	I6-C8 PolarHBondContact O-N 2.94Å; I6-F9 PolarHBondContact O-N 3.43Å; I6-L10 HydrophobicContact CG2-CD1 4.12Å; I6-L10 PolarHBondContact O-N 2.91Å
7	Q	46.2	Very low	45.6	Very low	122 Å²	122	141.5 Å²	141.5	57%	0.57	71%	0.705	S	S	*	*	H	α-helix	trans	-65.7	-33.1	-176.4	-136	162.5	-6	0	0	113.4
8	C	45.5	Very low	45.1	Very low	80 Å²	80	142.5 Å²	142.5	54%	0.541	71%	0.707	S	S	.	*	H	α-helix	trans	-73.6	-32.3	175.1	-62.1	0	0	0	0	113.5	I6 L11 C12	I6-C8 PolarHBondContact O-N 2.94Å; C8-L11 PolarHBondContact O-N 2.68Å; C8-C12 PolarHBondContact O-N 3Å; C8-C12 PolarHBondContact O-SG 2.81Å; C8-C12 VanDerWaalsContact O-SG 3.4Å
9	F	51.3	Low	44.4	Very low	160 Å²	160	145.3 Å²	145.3	70%	0.702	72%	0.718	S	S	*	*	H	α-helix	trans	-72.5	-38.2	-176.7	-138.9	-87.5	0	0	0	111.6	I6 C12 V13	I6-F9 PolarHBondContact O-N 3.43Å; F9-C12 PolarHBondContact O-N 2.89Å; F9-V13 PolarHBondContact O-N 2.97Å
10	L	46.6	Very low	43.6	Very low	121 Å²	121	141.6 Å²	141.6	63%	0.634	72%	0.719	S	S	*	*	H	α-helix	trans	-66.4	-35.4	175	-73.4	164.4	0	0	0	112.6	I6 V13 Y14	I6-L10 HydrophobicContact CG2-CD1 4.12Å; I6-L10 PolarHBondContact O-N 2.91Å; L10-V13 PolarHBondContact O-N 2.77Å; L10-Y14 PolarHBondContact O-N 2.94Å; L10-Y14 VanDerWaalsContact O-N 3.13Å
11	L	46.4	Very low	43.1	Very low	116 Å²	116	143.2 Å²	143.2	61%	0.607	73%	0.729	S	S	*	*	H	α-helix	trans	-64	-38.2	176.2	-100.7	161.7	0	0	0	112.9	C8 Y15	C8-L11 PolarHBondContact O-N 2.68Å; L11-Y15 PolarHBondContact O-N 2.78Å
12	C	43.5	Very low	42.2	Very low	85 Å²	85	137.8 Å²	137.8	57%	0.574	71%	0.714	S	S	*	*	H	α-helix	trans	-69	-41.2	177.9	-63.4	0	0	0	0	112.2	C8 F9 Y14 Y15 C16	C8-C12 PolarHBondContact O-N 3Å; C8-C12 PolarHBondContact O-SG 2.81Å; C8-C12 VanDerWaalsContact O-SG 3.4Å; F9-C12 PolarHBondContact O-N 2.89Å; C12-Y14 VanDerWaalsContact C-N 3.33Å; C12-Y14 PolarHBondContact O-N 2.82Å; C12-Y15 PolarHBondContact O-N 3.42Å; C12-C16 PolarHBondContact O-N 3.31Å; C12-C16 PolarHBondContact O-SG 2.88Å
13	V	48	Very low	41.3	Very low	87 Å²	87	132 Å²	132	53%	0.527	71%	0.71	S	S	.	*	H	α-helix	trans	-66.3	-37	178.7	177.1	0	0	0	0	111.3	F9 L10 Y15 C16	F9-V13 PolarHBondContact O-N 2.97Å; L10-V13 PolarHBondContact O-N 2.77Å; V13-Y15 VanDerWaalsContact C-N 3.31Å; V13-Y15 PolarHBondContact O-N 3.29Å; V13-C16 PolarHBondContact O-N 3.08Å
14	Y	42.8	Very low	40.6	Very low	175 Å²	175	134.4 Å²	134.4	69%	0.686	72%	0.719	S	S	*	*	H	α-helix	trans	-63	-35.9	177.3	-161.1	-92.5	0	0	0	112.7	L10 C12	L10-Y14 PolarHBondContact O-N 2.94Å; L10-Y14 VanDerWaalsContact O-N 3.13Å; C12-Y14 VanDerWaalsContact C-N 3.33Å; C12-Y14 PolarHBondContact O-N 2.82Å
15	Y	41.2	Very low	39.8	Very low	200 Å²	200	135.4 Å²	135.4	78%	0.784	72%	0.717	S	S	*	*	H	α-helix	trans	-76.2	-21.2	-178.7	-124.2	-86.8	0	0	0	114.3	L11 C12 V13	L11-Y15 PolarHBondContact O-N 2.78Å; C12-Y15 PolarHBondContact O-N 3.42Å; V13-Y15 VanDerWaalsContact C-N 3.31Å; V13-Y15 PolarHBondContact O-N 3.29Å
16	C	38.7	Very low	38.8	Very low	108 Å²	108	131.8 Å²	131.8	73%	0.73	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	5.1	-171.7	-64.7	0	0	0	0	115	C12 V13	C12-C16 PolarHBondContact O-N 3.31Å; C12-C16 PolarHBondContact O-SG 2.88Å; V13-C16 PolarHBondContact O-N 3.08Å
17	V	40.6	Very low	37.7	Very low	121 Å²	121	131.4 Å²	131.4	73%	0.733	71%	0.711	S	S	*	*	S	Bend	trans	-120.1	-9.4	-170.6	-176.9	0	0	0	0	113.3
18	Q	35.7	Very low	36.8	Very low	159 Å²	159	133.1 Å²	133.1	74%	0.743	72%	0.718	S	S	*	*	S	Bend	trans	-101.9	-8	-166.5	-141.4	-177.3	-9.4	0	0	117
19	E	31.4	Very low	36.1	Very low	195 Å²	195	138 Å²	138	91%	0.911	74%	0.739	S	S	*	*			trans	-122.2	148.6	165.5	-67.1	-158.3	146	0	0	110.4
20	G	29.5	Very low	35	Very low	71 Å²	71	140.4 Å²	140.4	73%	0.732	74%	0.743	S	S	*	*			trans	-144.2	-162.6	-169	0	0	0	0	0	114.6
21	L	32.5	Very low	34.1	Very low	177 Å²	177	144.8 Å²	144.8	93%	0.927	75%	0.751	S	S	*	*			trans	71.2	129.4	172.7	-70.6	165.1	0	0	0	118.9
22	S	33.3	Very low	33.5	Very low	128 Å²	128	145.9 Å²	145.9	90%	0.895	76%	0.758	S	S	*	*			trans	75.3	151.8	148.5	-150.7	0	0	0	0	118.3
23	G	27.2	Very low	32.8	Very low	72 Å²	72	151.2 Å²	151.2	74%	0.742	77%	0.771	S	S	*	*			trans	141.2	64.8	179.6	0	0	0	0	0	114.1	F25	G23-F25 PolarHBondContact O-N 3.26Å
24	D	31.6	Very low	32.2	Very low	160 Å²	160	156.1 Å²	156.1	86%	0.856	79%	0.788	S	S	*	*			trans	-75.7	114.4	171.9	-146.9	-13.6	0	0	0	109.6
25	F	25.2	Very low	31.6	Very low	165 Å²	165	156.6 Å²	156.6	72%	0.724	79%	0.794	S	S	*	*			trans	-168.8	138.4	141	-119.9	-140.1	0	0	0	115.2	G23	G23-F25 PolarHBondContact O-N 3.26Å
26	K	26.5	Very low	31.1	Very low	150 Å²	150	155.8 Å²	155.8	65%	0.652	80%	0.798	S	S	*	*				11.9	141.2	125.8	-59.6	-176.8	-170.7	165.1	0	117.3
27	T	27.3	Very low	30.7	Very low	107 Å²	107	162.3 Å²	162.3	66%	0.656	81%	0.807	S	S	*	*			cis	-167.4	172.1	16.8	-0.8	0	0	0	0	112
28	H	28.6	Very low	30.3	Very low	158 Å²	158	162.5 Å²	162.5	73%	0.731	81%	0.809	S	S	*	*			trans	49.1	97.7	150.8	-71.2	-65.9	0	0	0	118.4
29	L	29.4	Very low	30.2	Very low	184 Å²	184	164.3 Å²	164.3	96%	0.963	81%	0.814	S	S	*	*				-136	137.4	117.4	-140.3	77.4	0	0	0	111.1
30	R	28.4	Very low	30.4	Very low	210 Å²	210	167 Å²	167	79%	0.792	82%	0.816	S	S	*	*			trans	-105.5	121.2	-173.7	-120.4	-177.7	175.3	-178.9	-1.7	108.8
31	R	28.4	Very low	30.6	Very low	213 Å²	213	172.4 Å²	172.4	80%	0.804	82%	0.822	S	S	*	*				145.2	138.9	128.4	-86.1	171.9	162.6	151.2	-6.4	115.1
32	N	32.8	Very low	31	Very low	139 Å²	139	169 Å²	169	74%	0.743	81%	0.813	S	S	*	*			trans	48.2	89.4	141.1	-56	14.5	0	0	0	118.7
33	F	29.9	Very low	31	Very low	196 Å²	196	172.3 Å²	172.3	86%	0.86	81%	0.811	S	S	*	*			trans	-126.8	130.6	130.1	-99.9	-82.9	0	0	0	109.9
34	Q	35	Very low	31.5	Very low	190 Å²	190	174.8 Å²	174.8	89%	0.888	81%	0.814	S	S	*	*			trans	-105.6	79.9	-168.4	-170.7	174.8	-1.8	0	0	110.4
35	F	30.8	Very low	32.5	Very low	186 Å²	186	171.5 Å²	171.5	82%	0.816	81%	0.81	S	S	*	*			trans	-89.7	123.8	170.2	-87.4	-83.8	0	0	0	110.9	R37	F35-R37 PolarHBondContact O-N 3.22Å
36	Q	31.3	Very low	34.2	Very low	183 Å²	183	172.5 Å²	172.5	86%	0.855	81%	0.814	S	S	*	*			trans	-64.3	106.7	173.3	-75	177.9	-36.1	0	0	109.6	T38	Q36-T38 PolarHBondContact O-N 2.83Å
37	R	29.4	Very low	36.1	Very low	244 Å²	244	169.1 Å²	169.1	92%	0.921	81%	0.807	S	S	*	*			trans	-69	94.1	172.5	-163.9	178.7	-163.5	177.3	6.1	108.6	F35 K39	F35-R37 PolarHBondContact O-N 3.22Å; R37-K39 PolarHBondContact O-N 3.43Å; R37-K39 VanDerWaalsContact O-N 3.16Å
38	T	32.7	Very low	38.6	Very low	125 Å²	125	168.8 Å²	168.8	77%	0.767	80%	0.804	S	S	*	*			trans	-51.5	121.3	175.1	38.4	0	0	0	0	109.3	Q36 R40	Q36-T38 PolarHBondContact O-N 2.83Å; T38-R40 PolarHBondContact O-N 2.74Å
39	K	33.4	Very low	41.5	Very low	198 Å²	198	161.9 Å²	161.9	86%	0.861	77%	0.773	S	S	*	*			trans	-60.4	113.8	175.1	-81.6	-176.2	175.7	178.3	0	107.6	R37 Q41	R37-K39 PolarHBondContact O-N 3.43Å; R37-K39 VanDerWaalsContact O-N 3.16Å; K39-Q41 PolarHBondContact O-N 2.84Å
40	R	35	Very low	44.4	Very low	250 Å²	250	156.2 Å²	156.2	94%	0.943	74%	0.741	S	S	*	*			trans	-54.4	106.5	167.8	-157.1	-179.6	-161.3	-176.9	6	106.5	T38 S42	T38-R40 PolarHBondContact O-N 2.74Å; R40-S42 PolarHBondContact O-N 2.84Å; R40-S42 VanDerWaalsContact O-N 3.1Å
41	Q	34.5	Very low	47.4	Very low	186 Å²	186	146.9 Å²	146.9	87%	0.869	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-60.6	119.7	-177.3	-76.3	-176.2	-12.1	0	0	108.2	K39 K43	K39-Q41 PolarHBondContact O-N 2.84Å; Q41-K43 PolarHBondContact O-N 3.01Å
42	S	40.1	Very low	50.4	Low	106 Å²	106	137.6 Å²	137.6	74%	0.741	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-57.4	131.7	166.9	48.4	0	0	0	0	108.2	R40	R40-S42 PolarHBondContact O-N 2.84Å; R40-S42 VanDerWaalsContact O-N 3.1Å
43	K	34	Very low	53.3	Low	196 Å²	196	133.1 Å²	133.1	85%	0.852	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-46.4	130.1	167.7	-75.6	-175.2	174.7	-178.2	0	108	Q41 A45	Q41-K43 PolarHBondContact O-N 3.01Å; K43-A45 PolarHBondContact O-N 3.44Å
44	P	37.3	Very low	56.4	Low	124 Å²	124	124 Å²	124	81%	0.805	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-56.7	127.9	-179.1	22.9	-32.8	0	0	0	108.8	K46	P44-K46 PolarHBondContact O-N 3.09Å
45	A	52.9	Low	59.4	Low	92 Å²	92	116.7 Å²	116.7	76%	0.76	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-58.4	131.1	178.6	0	0	0	0	0	108.9	K43 P47	K43-A45 PolarHBondContact O-N 3.44Å; A45-P47 VanDerWaalsContact O-N 3.13Å
46	K	59.8	Low	62.5	Low	186 Å²	186	107.9 Å²	107.9	81%	0.809	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-52.6	123.5	176.5	-73.4	-172.6	176.6	-175.5	0	107.9	P44 V48	P44-K46 PolarHBondContact O-N 3.09Å; K46-V48 WeakPolarHBondContact O-CG2 3.25Å; K46-V48 PolarHBondContact O-N 2.9Å; K46-V48 VanDerWaalsContact O-N 3.15Å
47	P	67.8	Low	65.6	Low	78 Å²	78	105.4 Å²	105.4	51%	0.506	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-61.4	120.8	-170.7	21.6	-32.6	0	0	0	110.8	A45 L77 K81	A45-P47 VanDerWaalsContact O-N 3.13Å; P47-L77 HydrophobicContact CB-CD1 3.81Å; P47-L77 HydrophobicContact CB-CD2 3.6Å; P47-L77 HydrophobicContact CB-CG 4.35Å; P47-L77 HydrophobicContact CG-CD1 4.36Å; P47-K81 PolarHBondContact O-NZ 3.19Å
48	V	79.9	Confident	68.8	Low	100 Å²	100	93.8 Å²	93.8	61%	0.606	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-99.6	152.1	-176.3	-163.9	0	0	0	0	109.8	K46	K46-V48 WeakPolarHBondContact O-CG2 3.25Å; K46-V48 PolarHBondContact O-N 2.9Å; K46-V48 VanDerWaalsContact O-N 3.15Å
49	L	88.2	Confident	71.7	Confident	13 Å²	13	89.8 Å²	89.8	7%	0.068	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-74.5	137.2	169.2	-66	177.3	0	0	0	109.2	V51 N75 K81 E82 A83 V150 Q183	L49-V51 PolarHBondContact O-N 2.89Å; L49-N75 HydrophobicContact CD2-CB 3.51Å; L49-N75 VanDerWaalsContact CD2-CG 3.44Å; L49-N75 WeakPolarHBondContact CD2-OD1 3.4Å; L49-K81 HydrophobicContact CD1-CG 4.45Å; L49-K81 HydrophobicContact CD2-CB 4.17Å; L49-K81 HydrophobicContact CD2-CD 4.36Å; L49-K81 HydrophobicContact CD2-CG 4.44Å; L49-K81 HydrophobicContact CG-CD 4.14Å; L49-K81 HydrophobicContact CG-CG 4.32Å; L49-E82 WeakPolarHBondContact CD1-O 3.42Å; L49-A83 HydrophobicContact CD1-CB 3.57Å; L49-V150 HydrophobicContact CD1-CB 4.46Å; L49-V150 HydrophobicContact CD1-CG2 4.05Å; L49-Q183 PolarHBondContact O-NE2 2.63Å
50	K	90.6	Very high	74.5	Confident	66 Å²	66	80.5 Å²	80.5	29%	0.287	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.4	179.6	-176.9	176.9	179	-174.7	0	109.7	T52 V73 W74	K50-T52 HydrophobicContact CG-CG2 4.46Å; K50-V73 CarbonylContact O-C 3.57Å; K50-V73 WeakPolarHBondContact O-CA 3.38Å; K50-W74 PolarHBondContact N-O 2.72Å; K50-W74 VanDerWaalsContact N-O 3.17Å; K50-W74 PolarHBondContact O-N 3.32Å
51	V	91.9	Very high	77.1	Confident	14 Å²	14	69.3 Å²	69.3	9%	0.085	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.1	162.7	176.8	0	0	0	0	107.3	L49 S72 V73 Q183 V185	L49-V51 PolarHBondContact O-N 2.89Å; V51-S72 CarbonylContact C-O 3.07Å; V51-S72 WeakPolarHBondContact CA-O 3.34Å; V51-V73 HydrophobicContact CG2-CG1 4.14Å; V51-Q183 HydrophobicContact CB-CG 4.1Å; V51-Q183 HydrophobicContact CG2-CG 4.34Å; V51-V185 HydrophobicContact CB-CG2 4.07Å; V51-V185 HydrophobicContact CG1-CB 4.45Å; V51-V185 HydrophobicContact CG1-CG1 3.95Å; V51-V185 HydrophobicContact CG1-CG2 3.59Å
52	T	91	Very high	79.7	Confident	18 Å²	18	60.7 Å²	60.7	11%	0.11	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-42.1	-179.9	52.8	0	0	0	0	111.8	K50 S72 W74 V185 N187	K50-T52 HydrophobicContact CG-CG2 4.46Å; T52-S72 PolarHBondContact N-O 3Å; T52-S72 WeakPolarHBondContact OG1-CB 3.31Å; T52-S72 PolarHBondContact OG1-O 3.03Å; T52-W74 HydrophobicContact CG2-CB 4.07Å; T52-V185 WeakPolarHBondContact O-CG1 3.31Å; T52-N187 PolarHBondContact O-N 2.65Å
53	D	93.6	Very high	82	Confident	44 Å²	44	55.7 Å²	55.7	24%	0.235	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.2	-171.6	-44	-90.4	0	0	0	109.8	S71 S72 N187	D53-S71 WeakPolarHBondContact O-CA 3.3Å; D53-S72 PolarHBondContact O-N 3.36Å; D53-S72 WeakPolarHBondContact OD2-CB 3.43Å; D53-N187 CarbonylContact C-O 3.6Å; D53-N187 WeakPolarHBondContact CA-O 3.46Å; D53-N187 HydrophobicContact CB-CB 4.38Å; D53-N187 WeakPolarHBondContact OD1-CB 2.97Å; D53-N187 PolarHBondContact OD1-ND2 2.69Å
54	Y	95.5	Very high	84.7	Confident	6 Å²	6	46.5 Å²	46.5	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	107.8	175.6	-167.2	-82.8	0	0	0	109.2	V56 I69 Q70 L179 R180 T181 N187 L188 T189	Y54-V56 HydrophobicContact CD1-CG2 4.42Å; Y54-V56 HydrophobicContact CE1-CG2 3.94Å; Y54-I69 HydrophobicContact CE1-CG2 4.47Å; Y54-Q70 CarbonylContact C-O 3.52Å; Y54-Q70 WeakPolarHBondContact CA-O 3.47Å; Y54-L179 HydrophobicContact CE1-CD2 4.34Å; Y54-R180 PolarHBondContact OH-N 3.04Å; Y54-T181 HydrophobicContact CD1-CG2 3.92Å; Y54-T181 HydrophobicContact CD2-CG2 4.14Å; Y54-T181 HydrophobicContact CE1-CG2 4.18Å; Y54-T181 HydrophobicContact CE2-CG2 4.38Å; Y54-T181 HydrophobicContact CG-CG2 3.89Å; Y54-N187 PolarHBondContact N-O 3.04Å; Y54-L188 WeakPolarHBondContact O-CA 3.4Å; Y54-T189 PolarHBondContact O-N 3.28Å; Y54-T189 VanDerWaalsContact O-N 3.12Å
55	H	97.1	Very high	87.3	Confident	35 Å²	35	40.6 Å²	40.6	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.6	-175.1	-57.9	-65.1	0	0	0	110.5	I69 Q70 N187 T189	H55-I69 WeakPolarHBondContact O-CA 3.47Å; H55-Q70 HydrophobicContact CB-CB 4.34Å; H55-Q70 PolarHBondContact N-O 2.82Å; H55-Q70 PolarHBondContact O-N 2.83Å; H55-N187 PolarHBondContact CE1-ND2 2.85Å; H55-N187 VanDerWaalsContact CE1-ND2 3.3Å; H55-N187 PolarHBondContact CE1-OD1 3.26Å; H55-N187 PolarHBondContact NE2-ND2 3.44Å; H55-T189 CarbonylContact C-O 3.55Å; H55-T189 WeakPolarHBondContact CA-O 3.43Å; H55-T189 PolarHBondContact ND1-OG1 2.94Å
56	V	96.8	Very high	89.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.6	167	-178	0	0	0	0	107.6	Y54 T67 I69 L177 L179 T189 L190 D191	Y54-V56 HydrophobicContact CD1-CG2 4.42Å; Y54-V56 HydrophobicContact CE1-CG2 3.94Å; V56-T67 HydrophobicContact CG1-CG2 4.14Å; V56-I69 HydrophobicContact CG1-CG1 4.28Å; V56-I69 HydrophobicContact CG2-CD1 4.38Å; V56-I69 HydrophobicContact CG2-CG1 4.16Å; V56-I69 HydrophobicContact CG2-CG2 4.48Å; V56-L177 HydrophobicContact CG1-CD1 4.27Å; V56-L177 HydrophobicContact CG1-CD2 4.25Å; V56-L179 HydrophobicContact CG2-CD2 3.84Å; V56-T189 PolarHBondContact N-O 3.19Å; V56-L190 HydrophobicContact CB-CB 4.3Å; V56-L190 HydrophobicContact CB-CD1 4.48Å; V56-L190 HydrophobicContact CB-CG 4.41Å; V56-L190 HydrophobicContact CG1-CD1 4.44Å; V56-L190 WeakPolarHBondContact O-CA 3.46Å; V56-D191 PolarHBondContact O-N 2.82Å
57	R	96.8	Very high	90.9	Very high	132 Å²	132	29.7 Å²	29.7	50%	0.498	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.7	166.7	-62.3	-168.6	-169.8	-172.5	5.1	109.2	T67 T68 D191 E567	R57-T67 CarbonylContact O-C 3.54Å; R57-T67 WeakPolarHBondContact O-CA 3.48Å; R57-T68 PolarHBondContact N-O 3.33Å; R57-T68 PolarHBondContact O-N 2.68Å; R57-D191 CarbonylContact C-O 3.45Å; R57-D191 VanDerWaalsContact CA-O 3.27Å; R57-D191 WeakPolarHBondContact CA-O 3.47Å; R57-E567 IonicContact NH1-OE1 3.26Å
58	C	95.6	Very high	92.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	123.3	173.9	-175.9	0	0	0	0	110.1	V66 T67 L177 D191 V192 S193	C58-V66 WeakPolarHBondContact CA-O 3.08Å; C58-T67 HydrophobicContact CB-CG2 4.38Å; C58-T67 PolarHBondContact SG-OG1 3.02Å; C58-L177 HydrophobicContact CB-CD1 4.09Å; C58-L177 HydrophobicContact CB-CD2 4.31Å; C58-D191 PolarHBondContact N-O 3.44Å; C58-V192 HydrophobicContact CB-CB 4.47Å; C58-V192 HydrophobicContact CB-CG1 4.09Å; C58-V192 HydrophobicContact CB-CG2 4.07Å; C58-V192 CarbonylContact O-C 3.37Å; C58-V192 VanDerWaalsContact O-CA 3.23Å; C58-V192 WeakPolarHBondContact O-CA 3.45Å; C58-S193 PolarHBondContact O-N 3.23Å
59	S	93.4	Very high	93.1	Very high	40 Å²	40	23.3 Å²	23.3	28%	0.28	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.1	177.6	-59.5	0	0	0	0	108.3	V66 S193 E567	S59-V66 PolarHBondContact N-O 3.23Å; S59-V66 PolarHBondContact O-N 3.21Å; S59-S193 CarbonylContact C-O 3.55Å; S59-S193 WeakPolarHBondContact CA-O 3.25Å; S59-E567 PolarHBondContact OG-OE2 3.11Å
60	V	92.4	Very high	93.4	Very high	4 Å²	4	26 Å²	26	2%	0.024	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.1	-179.1	-168.1	0	0	0	0	109	Y64 A65 L166 L175 S193 I194 H195	V60-Y64 CarbonylContact C-O 3.58Å; V60-Y64 VanDerWaalsContact CA-O 3.29Å; V60-Y64 WeakPolarHBondContact CA-O 3.43Å; V60-A65 HydrophobicContact CG1-CB 4.36Å; V60-A65 HydrophobicContact CG2-CB 3.84Å; V60-L166 HydrophobicContact CG1-CD1 3.97Å; V60-L166 HydrophobicContact CG2-CD1 4.42Å; V60-L175 HydrophobicContact CG2-CD2 4.11Å; V60-S193 PolarHBondContact N-O 2.93Å; V60-I194 HydrophobicContact CB-CB 4.39Å; V60-I194 HydrophobicContact CB-CG1 4.09Å; V60-I194 HydrophobicContact CB-CG2 4.29Å; V60-I194 HydrophobicContact CG2-CG1 3.99Å; V60-H195 PolarHBondContact O-N 3.2Å
61	A	89.1	Confident	93.6	Very high	14 Å²	14	23.2 Å²	23.2	12%	0.116	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119	175.1	0	0	0	0	0	109.5	R63 Y64 H195 V571	A61-R63 PolarHBondContact O-N 3.4Å; A61-Y64 PolarHBondContact N-O 2.88Å; A61-Y64 WeakPolarHBondContact O-CB 3.49Å; A61-Y64 PolarHBondContact O-N 2.84Å; A61-H195 WeakPolarHBondContact CA-O 3.44Å; A61-V571 HydrophobicContact CB-CG2 3.78Å
62	S	88.9	Confident	93.7	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.042	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	62.7	-176.9	-64.9	0	0	0	0	111.9	Y64 H195 E196 Q276 F285	S62-Y64 PolarHBondContact O-N 2.93Å; S62-H195 PolarHBondContact N-O 3.06Å; S62-E196 WeakPolarHBondContact CA-OE1 3.28Å; S62-E196 WeakPolarHBondContact CA-OE2 3.44Å; S62-Q276 VanDerWaalsContact OG-CD 3.3Å; S62-Q276 PolarHBondContact OG-NE2 2.83Å; S62-Q276 PolarHBondContact OG-OE1 2.65Å; S62-F285 VanDerWaalsContact O-CZ 3.31Å; S62-F285 WeakPolarHBondContact O-CZ 3.41Å
63	R	90.3	Very high	93.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-10.9	-175.6	-59.9	66.8	145.6	-174.5	-19.5	116.2	A61 L165 L166 Y173 E196 D274 F285 E515	A61-R63 PolarHBondContact O-N 3.4Å; R63-L165 HydrophobicContact CB-CD1 3.73Å; R63-L166 WeakPolarHBondContact O-CG 3.45Å; R63-L166 PolarHBondContact O-N 3.25Å; R63-Y173 HydrophobicContact CB-CE1 4.28Å; R63-Y173 HydrophobicContact CG-CD1 3.89Å; R63-Y173 HydrophobicContact CG-CE1 3.25Å; R63-Y173 HydrophobicContact CG-CE2 4.2Å; R63-Y173 VanDerWaalsContact CG-CZ 3.45Å; R63-Y173 PolarHBondContact NE-OH 2.83Å; R63-E196 WeakPolarHBondContact CD-OE2 3.36Å; R63-E196 IonicContact CZ-OE2 3.87Å; R63-E196 PolarHBondContact N-OE1 2.75Å; R63-E196 IonicContact NE-OE2 3.38Å; R63-E196 IonicContact NH1-OE2 2.68Å; R63-E196 PolarHBondContact NH1-OE2 3.45Å; R63-D274 IonicContact CZ-OD2 3.48Å; R63-D274 IonicContact NH1-OD2 2.94Å; R63-D274 PolarHBondContact NH1-OD2 3.35Å; R63-D274 IonicContact NH2-OD2 2.72Å; R63-F285 HydrophobicContact CB-CE1 4.28Å; R63-F285 HydrophobicContact CG-CE1 4.36Å; R63-E515 IonicContact CZ-OE1 3.41Å; R63-E515 IonicContact NE-OE1 3.89Å; R63-E515 PolarHBondContact NE-OE1 2.9Å; R63-E515 IonicContact NE-OE2 3.95Å; R63-E515 IonicContact NH2-OE1 2.73Å; R63-E515 PolarHBondContact NH2-OE1 3.39Å
64	Y	90.4	Very high	93.6	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	112.4	-178.4	-163.9	-112.6	0	0	0	111	V60 A61 S62 V66 E163 E164 L165 F574 R577 L578	V60-Y64 CarbonylContact C-O 3.58Å; V60-Y64 VanDerWaalsContact CA-O 3.29Å; V60-Y64 WeakPolarHBondContact CA-O 3.43Å; A61-Y64 PolarHBondContact N-O 2.88Å; A61-Y64 WeakPolarHBondContact O-CB 3.49Å; A61-Y64 PolarHBondContact O-N 2.84Å; S62-Y64 PolarHBondContact O-N 2.93Å; Y64-V66 HydrophobicContact CD1-CG2 4.32Å; Y64-V66 HydrophobicContact CE1-CG2 4.35Å; Y64-E163 HydrophobicContact CE1-CB 4.43Å; Y64-E163 PolarHBondContact OH-OE2 2.87Å; Y64-E163 VanDerWaalsContact OH-OE2 3.11Å; Y64-E164 CarbonylContact C-O 3.49Å; Y64-E164 VanDerWaalsContact CD2-O 3.31Å; Y64-E164 WeakPolarHBondContact CD2-O 3.5Å; Y64-L165 HydrophobicContact CD2-CB 4.34Å; Y64-L165 HydrophobicContact CD2-CD1 4.4Å; Y64-F574 HydrophobicContact CD1-CB 3.99Å; Y64-R577 HydrophobicContact CE1-CB 4.29Å; Y64-L578 HydrophobicContact CD2-CB 4.28Å; Y64-L578 HydrophobicContact CD2-CD1 3.83Å; Y64-L578 HydrophobicContact CD2-CG 4.47Å; Y64-L578 HydrophobicContact CE2-CB 4.31Å; Y64-L578 HydrophobicContact CE2-CD1 4.01Å
65	A	92.3	Very high	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.6	-175.4	0	0	0	0	0	111.5	V60 E163 E164 L166 L175	V60-A65 HydrophobicContact CG1-CB 4.36Å; V60-A65 HydrophobicContact CG2-CB 3.84Å; A65-E163 WeakPolarHBondContact O-CA 3.07Å; A65-E164 HydrophobicContact CB-CG 3.99Å; A65-E164 PolarHBondContact N-O 3.23Å; A65-E164 PolarHBondContact O-N 3.25Å; A65-L166 HydrophobicContact CB-CD1 4.33Å; A65-L166 HydrophobicContact CB-CD2 4.27Å; A65-L166 HydrophobicContact CB-CG 4.13Å; A65-L175 HydrophobicContact CB-CD1 4.4Å
66	V	93	Very high	93.2	Very high	49 Å²	49	27.7 Å²	27.7	30%	0.297	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.3	172.1	-175.8	0	0	0	0	108.3	C58 S59 Y64 T161 E163	C58-V66 WeakPolarHBondContact CA-O 3.08Å; S59-V66 PolarHBondContact N-O 3.23Å; S59-V66 PolarHBondContact O-N 3.21Å; Y64-V66 HydrophobicContact CD1-CG2 4.32Å; Y64-V66 HydrophobicContact CE1-CG2 4.35Å; V66-T161 HydrophobicContact CG1-CG2 3.91Å; V66-E163 HydrophobicContact CB-CG 4.42Å; V66-E163 HydrophobicContact CG1-CG 4.05Å; V66-E163 HydrophobicContact CG2-CG 4.13Å
67	T	95.1	Very high	92.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.8	-176.8	-56.8	0	0	0	0	111	V56 R57 C58 I69 T161 Y162 L177	V56-T67 HydrophobicContact CG1-CG2 4.14Å; R57-T67 CarbonylContact O-C 3.54Å; R57-T67 WeakPolarHBondContact O-CA 3.48Å; C58-T67 HydrophobicContact CB-CG2 4.38Å; C58-T67 PolarHBondContact SG-OG1 3.02Å; T67-I69 HydrophobicContact CG2-CG1 4.21Å; T67-T161 CarbonylContact O-C 3.49Å; T67-T161 VanDerWaalsContact O-CA 3.31Å; T67-T161 WeakPolarHBondContact O-CA 3.47Å; T67-Y162 HydrophobicContact CG2-CE1 3.77Å; T67-Y162 HydrophobicContact CG2-CE2 4.17Å; T67-Y162 PolarHBondContact N-O 3.5Å; T67-Y162 PolarHBondContact O-N 3Å; T67-L177 HydrophobicContact CG2-CD2 3.71Å
68	T	96.4	Very high	92.4	Very high	43 Å²	43	28.2 Å²	28.2	26%	0.264	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.6	172.5	-62.8	0	0	0	0	110.5	R57 V159 L160 T161	R57-T68 PolarHBondContact N-O 3.33Å; R57-T68 PolarHBondContact O-N 2.68Å; T68-V159 HydrophobicContact CG2-CG1 3.6Å; T68-L160 CarbonylContact C-O 3.56Å; T68-L160 VanDerWaalsContact CA-O 3.28Å; T68-L160 WeakPolarHBondContact CA-O 3.43Å; T68-T161 WeakPolarHBondContact OG1-CG2 3.44Å; T68-T161 PolarHBondContact OG1-OG1 2.83Å
69	I	95.8	Very high	92	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.1	175	-57.9	-172.1	0	0	0	109.1	Y54 H55 V56 T67 F85 V87 V159 L160 Y162	Y54-I69 HydrophobicContact CE1-CG2 4.47Å; H55-I69 WeakPolarHBondContact O-CA 3.47Å; V56-I69 HydrophobicContact CG1-CG1 4.28Å; V56-I69 HydrophobicContact CG2-CD1 4.38Å; V56-I69 HydrophobicContact CG2-CG1 4.16Å; V56-I69 HydrophobicContact CG2-CG2 4.48Å; T67-I69 HydrophobicContact CG2-CG1 4.21Å; I69-F85 HydrophobicContact CG2-CZ 4.35Å; I69-V87 HydrophobicContact CB-CG2 4.38Å; I69-V87 HydrophobicContact CD1-CG1 3.78Å; I69-V87 HydrophobicContact CD1-CG2 4.11Å; I69-V87 HydrophobicContact CG2-CG2 4.01Å; I69-V159 WeakPolarHBondContact O-CA 3.12Å; I69-L160 PolarHBondContact N-O 2.83Å; I69-L160 PolarHBondContact O-N 3.36Å; I69-Y162 HydrophobicContact CD1-CE1 4.05Å; I69-Y162 HydrophobicContact CG1-CE1 4.35Å
70	Q	95.4	Very high	91.5	Very high	68 Å²	68	35.5 Å²	35.5	32%	0.318	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.7	174.3	177.4	176.3	17	0	0	110.5	Y54 H55 S157 F158 V159	Y54-Q70 CarbonylContact C-O 3.52Å; Y54-Q70 WeakPolarHBondContact CA-O 3.47Å; H55-Q70 HydrophobicContact CB-CB 4.34Å; H55-Q70 PolarHBondContact N-O 2.82Å; H55-Q70 PolarHBondContact O-N 2.83Å; Q70-S157 PolarHBondContact NE2-OG 3.03Å; Q70-F158 CarbonylContact C-O 3.49Å; Q70-F158 VanDerWaalsContact CA-O 3.24Å; Q70-F158 WeakPolarHBondContact CA-O 3.25Å; Q70-V159 HydrophobicContact CB-CG2 4.22Å; Q70-V159 HydrophobicContact CG-CG2 3.98Å
71	S	94.6	Very high	91.1	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.2	172.9	-178.5	0	0	0	0	110.9	D53 S157 F158	D53-S71 WeakPolarHBondContact O-CA 3.3Å; S71-S157 WeakPolarHBondContact O-CA 3.43Å; S71-F158 PolarHBondContact N-O 2.87Å; S71-F158 PolarHBondContact O-N 3.03Å
72	S	93.3	Very high	90.8	Very high	16 Å²	16	43 Å²	43	11%	0.112	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127	179.9	-66	0	0	0	0	111	V51 T52 D53 M156 S157	V51-S72 CarbonylContact C-O 3.07Å; V51-S72 WeakPolarHBondContact CA-O 3.34Å; T52-S72 PolarHBondContact N-O 3Å; T52-S72 WeakPolarHBondContact OG1-CB 3.31Å; T52-S72 PolarHBondContact OG1-O 3.03Å; D53-S72 PolarHBondContact O-N 3.36Å; D53-S72 WeakPolarHBondContact OD2-CB 3.43Å; S72-M156 CarbonylContact C-O 3.51Å; S72-M156 WeakPolarHBondContact CA-O 3.46Å; S72-S157 PolarHBondContact OG-OG 2.76Å
73	V	92.1	Very high	90.4	Very high	11 Å²	11	43 Å²	43	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.6	178	-59.1	0	0	0	0	111.3	K50 V51 A83 V150 R155 M156 F158	K50-V73 CarbonylContact O-C 3.57Å; K50-V73 WeakPolarHBondContact O-CA 3.38Å; V51-V73 HydrophobicContact CG2-CG1 4.14Å; V73-A83 HydrophobicContact CG2-CB 4.2Å; V73-V150 HydrophobicContact CG2-CG2 4.18Å; V73-R155 WeakPolarHBondContact O-CA 3.43Å; V73-M156 HydrophobicContact CG2-CB 4.02Å; V73-M156 PolarHBondContact N-O 3.08Å; V73-M156 PolarHBondContact O-N 3.39Å; V73-F158 HydrophobicContact CG1-CE2 4.28Å; V73-F158 HydrophobicContact CG2-CE2 3.73Å; V73-F158 HydrophobicContact CG2-CZ 4.47Å
74	W	91.9	Very high	90.1	Very high	72 Å²	72	45.2 Å²	45.2	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.8	173	-173.9	22	0	0	0	110.3	K50 T52 Q76 G153 R155	K50-W74 PolarHBondContact N-O 2.72Å; K50-W74 VanDerWaalsContact N-O 3.17Å; K50-W74 PolarHBondContact O-N 3.32Å; T52-W74 HydrophobicContact CG2-CB 4.07Å; W74-Q76 HydrophobicContact CD2-CG 3.69Å; W74-Q76 HydrophobicContact CE3-CG 3.76Å; W74-Q76 HydrophobicContact CG-CG 4.12Å; W74-Q76 HydrophobicContact CH2-CG 4.43Å; W74-Q76 HydrophobicContact CZ2-CG 4.38Å; W74-Q76 HydrophobicContact CZ3-CG 4.14Å; W74-Q76 PolarHBondContact O-N 2.84Å; W74-G153 PolarHBondContact NE1-O 3.18Å; W74-R155 HydrophobicContact CB-CG 3.93Å; W74-R155 VanDerWaalsContact CD1-CG 3.44Å; W74-R155 HydrophobicContact CD2-CG 4.49Å; W74-R155 HydrophobicContact CG-CG 3.7Å
75	N	91.7	Very high	89.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.			trans	-82.1	101.8	170.2	-171.3	4.7	0	0	0	110.5	L49 L77 I79 V150 P151 G153 T154	L49-N75 HydrophobicContact CD2-CB 3.51Å; L49-N75 VanDerWaalsContact CD2-CG 3.44Å; L49-N75 WeakPolarHBondContact CD2-OD1 3.4Å; N75-L77 VanDerWaalsContact C-N 3.31Å; N75-L77 WeakPolarHBondContact OD1-CA 3.25Å; N75-L77 WeakPolarHBondContact OD1-CB 3.42Å; N75-L77 VanDerWaalsContact OD1-CG 3.31Å; N75-L77 WeakPolarHBondContact OD1-CG 3.42Å; N75-L77 PolarHBondContact OD1-N 3.32Å; N75-I79 PolarHBondContact ND2-O 2.88Å; N75-V150 HydrophobicContact CB-CB 4.19Å; N75-V150 HydrophobicContact CB-CG1 3.71Å; N75-V150 PolarHBondContact ND2-O 2.94Å; N75-P151 WeakPolarHBondContact CB-O 3.21Å; N75-P151 PolarHBondContact ND2-O 2.77Å; N75-G153 CarbonylContact O-C 3.5Å; N75-G153 WeakPolarHBondContact O-CA 3.48Å; N75-G153 PolarHBondContact O-N 2.88Å; N75-T154 PolarHBondContact N-O 2.04Å
76	Q	91.2	Very high	89.5	Confident	111 Å²	111	49.8 Å²	49.8	52%	0.519	27%	0.266	S	S	.	.			trans	-88.1	2	174.4	-56.1	-171.1	-82.5	0	0	113	W74	W74-Q76 HydrophobicContact CD2-CG 3.69Å; W74-Q76 HydrophobicContact CE3-CG 3.76Å; W74-Q76 HydrophobicContact CG-CG 4.12Å; W74-Q76 HydrophobicContact CH2-CG 4.43Å; W74-Q76 HydrophobicContact CZ2-CG 4.38Å; W74-Q76 HydrophobicContact CZ3-CG 4.14Å; W74-Q76 PolarHBondContact O-N 2.84Å
77	L	89.9	Confident	89.1	Confident	27 Å²	27	47.5 Å²	47.5	14%	0.141	25%	0.253	C	S	.	.	S	Bend	trans	-89.8	149.8	-175.8	-46.7	177.6	0	0	0	110.4	P47 N75 I79 K81 S152	P47-L77 HydrophobicContact CB-CD1 3.81Å; P47-L77 HydrophobicContact CB-CD2 3.6Å; P47-L77 HydrophobicContact CB-CG 4.35Å; P47-L77 HydrophobicContact CG-CD1 4.36Å; N75-L77 VanDerWaalsContact C-N 3.31Å; N75-L77 WeakPolarHBondContact OD1-CA 3.25Å; N75-L77 WeakPolarHBondContact OD1-CB 3.42Å; N75-L77 VanDerWaalsContact OD1-CG 3.31Å; N75-L77 WeakPolarHBondContact OD1-CG 3.42Å; N75-L77 PolarHBondContact OD1-N 3.32Å; L77-I79 HydrophobicContact CB-CG1 4.24Å; L77-I79 PolarHBondContact O-N 2.92Å; L77-I79 VanDerWaalsContact O-N 3.13Å; L77-K81 HydrophobicContact CD1-CB 4.39Å; L77-K81 HydrophobicContact CD1-CD 3.76Å; L77-S152 WeakPolarHBondContact O-CB 3.48Å; L77-S152 PolarHBondContact O-OG 2.88Å; L77-S152 VanDerWaalsContact O-OG 3.06Å
78	P	88.3	Confident	88.4	Confident	117 Å²	117	48.7 Å²	48.7	76%	0.76	26%	0.259	S	S	*	.	S	Bend	trans	-69.1	-7.8	177.8	29.2	-36	0	0	0	113.8
79	I	87.3	Confident	87.8	Confident	106 Å²	106	47.4 Å²	47.4	54%	0.544	25%	0.25	S	S	.	.	S	Bend	trans	-113.1	149.2	-178.5	60	175.3	0	0	0	111.2	N75 L77 K81	N75-I79 PolarHBondContact ND2-O 2.88Å; L77-I79 HydrophobicContact CB-CG1 4.24Å; L77-I79 PolarHBondContact O-N 2.92Å; L77-I79 VanDerWaalsContact O-N 3.13Å; I79-K81 PolarHBondContact O-N 3.28Å
80	T	82.9	Confident	87.1	Confident	87 Å²	87	48.8 Å²	48.8	53%	0.534	26%	0.26	S	S	.	.			trans	-58.7	134.5	163.9	-60.8	0	0	0	0	109.5	V150	T80-V150 WeakPolarHBondContact CA-O 3.43Å
81	K	83.7	Confident	86	Confident	69 Å²	69	48.4 Å²	48.4	30%	0.3	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.9	178	179.6	175.4	179.6	-163.6	0	111.7	P47 L49 L77 I79 V150	P47-K81 PolarHBondContact O-NZ 3.19Å; L49-K81 HydrophobicContact CD1-CG 4.45Å; L49-K81 HydrophobicContact CD2-CB 4.17Å; L49-K81 HydrophobicContact CD2-CD 4.36Å; L49-K81 HydrophobicContact CD2-CG 4.44Å; L49-K81 HydrophobicContact CG-CD 4.14Å; L49-K81 HydrophobicContact CG-CG 4.32Å; L77-K81 HydrophobicContact CD1-CB 4.39Å; L77-K81 HydrophobicContact CD1-CD 3.76Å; I79-K81 PolarHBondContact O-N 3.28Å; K81-V150 PolarHBondContact N-O 3.44Å; K81-V150 WeakPolarHBondContact O-CA 3.07Å; K81-V150 WeakPolarHBondContact O-CB 3.42Å; K81-V150 PolarHBondContact O-N 2.79Å
82	E	81.6	Confident	85.1	Confident	107 Å²	107	48.5 Å²	48.5	50%	0.5	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	128.9	172.8	-169.6	-174.9	149.2	0	0	112.3	L49 A147 V148	L49-E82 WeakPolarHBondContact CD1-O 3.42Å; E82-A147 HydrophobicContact CG-CB 4.25Å; E82-A147 WeakPolarHBondContact OE1-CB 3.47Å; E82-V148 WeakPolarHBondContact CA-O 3.35Å
83	A	82.3	Confident	84.7	Confident	5 Å²	5	48 Å²	48	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.5	160	0	0	0	0	0	109.1	L49 V73 A147 V148 V150 F158	L49-A83 HydrophobicContact CD1-CB 3.57Å; V73-A83 HydrophobicContact CG2-CB 4.2Å; A83-A147 CarbonylContact O-C 3.47Å; A83-A147 WeakPolarHBondContact O-CA 3.2Å; A83-V148 PolarHBondContact N-O 2.93Å; A83-V148 PolarHBondContact O-N 2.82Å; A83-V150 HydrophobicContact CB-CG2 3.58Å; A83-F158 HydrophobicContact CB-CE2 4.36Å; A83-F158 HydrophobicContact CB-CZ 4.28Å
84	A	82	Confident	84.4	Confident	47 Å²	47	47.4 Å²	47.4	39%	0.388	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.1	161.1	0	0	0	0	0	108.4	E86 V146	A84-E86 HydrophobicContact CB-CG 4.35Å; A84-E86 WeakPolarHBondContact CB-OE1 3.38Å; A84-V146 WeakPolarHBondContact CA-O 3.36Å
85	F	85.2	Confident	84.3	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.6	164.5	174	-94.7	0	0	0	107.4	I69 V87 F98 F144 R145 V146 F158 L160	I69-F85 HydrophobicContact CG2-CZ 4.35Å; F85-V87 HydrophobicContact CE1-CG2 3.75Å; F85-V87 HydrophobicContact CE2-CG2 4.19Å; F85-V87 HydrophobicContact CZ-CG2 3.52Å; F85-F98 AromaticContact CD1-CE2 3.94Å; F85-F98 HydrophobicContact CD1-CE2 3.94Å; F85-F98 AromaticContact CE1-CE2 3.99Å; F85-F98 HydrophobicContact CE1-CE2 3.99Å; F85-F144 AromaticContact CD1-CD1 3.78Å; F85-F144 HydrophobicContact CD1-CD1 3.78Å; F85-F144 AromaticContact CD1-CE1 3.67Å; F85-F144 HydrophobicContact CD1-CE1 3.67Å; F85-F144 AromaticContact CE1-CD1 3.83Å; F85-F144 HydrophobicContact CE1-CD1 3.83Å; F85-F144 AromaticContact CE1-CE1 3.85Å; F85-F144 HydrophobicContact CE1-CE1 3.85Å; F85-R145 WeakPolarHBondContact O-CA 3.45Å; F85-V146 PolarHBondContact N-O 2.83Å; F85-V146 PolarHBondContact O-N 3.16Å; F85-F158 HydrophobicContact CB-CB 4.2Å; F85-F158 HydrophobicContact CB-CD1 4.16Å; F85-F158 HydrophobicContact CB-CD2 3.94Å; F85-F158 HydrophobicContact CB-CE2 4.34Å; F85-F158 HydrophobicContact CB-CG 3.84Å; F85-F158 HydrophobicContact CD1-CB 4.25Å; F85-F158 HydrophobicContact CD2-CB 3.52Å; F85-F158 HydrophobicContact CD2-CD2 4.08Å; F85-F158 AromaticContact CD2-CG 3.98Å; F85-F158 HydrophobicContact CD2-CG 3.98Å; F85-F158 HydrophobicContact CE2-CB 3.85Å; F85-F158 HydrophobicContact CG-CB 3.72Å; F85-F158 HydrophobicContact CG-CD2 4.27Å; F85-F158 AromaticContact CG-CG 3.94Å; F85-F158 HydrophobicContact CG-CG 3.94Å; F85-F158 HydrophobicContact CZ-CB 4.33Å; F85-L160 HydrophobicContact CE1-CB 3.83Å; F85-L160 HydrophobicContact CE1-CD2 4.1Å; F85-L160 HydrophobicContact CZ-CB 3.95Å
86	E	85	Confident	84.2	Confident	92 Å²	92	45 Å²	45	43%	0.43	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.4	-175	-72.8	172.3	-152.4	0	0	109.1	A84 F144 R145	A84-E86 HydrophobicContact CB-CG 4.35Å; A84-E86 WeakPolarHBondContact CB-OE1 3.38Å; E86-F144 VanDerWaalsContact CA-O 3.31Å; E86-F144 WeakPolarHBondContact CA-O 3.3Å; E86-R145 HydrophobicContact CG-CB 4.11Å; E86-R145 HydrophobicContact CG-CG 3.72Å; E86-R145 IonicContact OE1-CZ 2.73Å; E86-R145 IonicContact OE1-NE 3.78Å; E86-R145 PolarHBondContact OE1-NE 2.72Å; E86-R145 IonicContact OE1-NH2 2.9Å; E86-R145 PolarHBondContact OE1-NH2 3.46Å
87	V	85.2	Confident	84.2	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130.4	179.1	161.7	0	0	0	0	108.3	I69 F85 L89 K143 F144 L160 Y162	I69-V87 HydrophobicContact CB-CG2 4.38Å; I69-V87 HydrophobicContact CD1-CG1 3.78Å; I69-V87 HydrophobicContact CD1-CG2 4.11Å; I69-V87 HydrophobicContact CG2-CG2 4.01Å; F85-V87 HydrophobicContact CE1-CG2 3.75Å; F85-V87 HydrophobicContact CE2-CG2 4.19Å; F85-V87 HydrophobicContact CZ-CG2 3.52Å; V87-L89 HydrophobicContact CG1-CD2 3.97Å; V87-L89 HydrophobicContact CG1-CG 4.41Å; V87-K143 CarbonylContact O-C 3.56Å; V87-K143 WeakPolarHBondContact O-CA 3.17Å; V87-F144 HydrophobicContact CB-CB 4.18Å; V87-F144 PolarHBondContact N-O 2.8Å; V87-F144 PolarHBondContact O-N 3.46Å; V87-L160 HydrophobicContact CB-CD2 3.92Å; V87-L160 HydrophobicContact CG1-CD2 3.91Å; V87-L160 HydrophobicContact CG2-CD2 4.14Å; V87-Y162 HydrophobicContact CG1-CE1 4.43Å
88	D	81.6	Confident	84.2	Confident	24 Å²	24	41.4 Å²	41.4	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	130.4	168.4	-70.3	-0.3	0	0	0	108.8	E142 K143 R180	D88-E142 CarbonylContact C-O 3.5Å; D88-E142 WeakPolarHBondContact CA-O 3.29Å; D88-K143 IonicContact OD1-NZ 3.68Å; D88-K143 PolarHBondContact OD1-NZ 3.2Å; D88-K143 IonicContact OD2-NZ 3.59Å; D88-R180 IonicContact OD2-CZ 2.85Å; D88-R180 IonicContact OD2-NE 3.06Å; D88-R180 PolarHBondContact OD2-NE 3.33Å; D88-R180 IonicContact OD2-NH2 3.96Å; D88-R180 PolarHBondContact OD2-NH2 2.89Å
89	L	82.5	Confident	84.3	Confident	16 Å²	16	36.8 Å²	36.8	8%	0.084	21%	0.206	C	C	.	.			trans	-113.1	140.7	-177.3	-70.1	178.3	0	0	0	111.2	V87 I95 E142 F144 L160 Y162	V87-L89 HydrophobicContact CG1-CD2 3.97Å; V87-L89 HydrophobicContact CG1-CG 4.41Å; L89-I95 HydrophobicContact CD1-CD1 3.88Å; L89-I95 HydrophobicContact CD1-CG1 3.84Å; L89-E142 PolarHBondContact N-O 3.08Å; L89-E142 WeakPolarHBondContact O-CA 3.27Å; L89-F144 HydrophobicContact CD1-CB 4.03Å; L89-F144 HydrophobicContact CG-CB 4.3Å; L89-L160 HydrophobicContact CD2-CD2 4.35Å; L89-Y162 HydrophobicContact CD2-CD1 3.39Å; L89-Y162 HydrophobicContact CD2-CD2 4.31Å; L89-Y162 HydrophobicContact CD2-CE1 3.7Å; L89-Y162 HydrophobicContact CD2-CG 3.72Å
90	P	81.5	Confident	84.4	Confident	32 Å²	32	32.5 Å²	32.5	21%	0.208	18%	0.184	C	C	.	.			trans	-59.1	142.9	166.2	-22.9	34.4	0	0	0	112	S92 A93 Y162 E164	P90-S92 WeakPolarHBondContact CB-OG 3.34Å; P90-S92 PolarHBondContact O-N 2.79Å; P90-A93 HydrophobicContact CB-CB 4.11Å; P90-A93 HydrophobicContact CG-CB 4.32Å; P90-A93 WeakPolarHBondContact O-CB 3.33Å; P90-A93 PolarHBondContact O-N 2.83Å; P90-Y162 HydrophobicContact CG-CE2 4.05Å; P90-E164 VanDerWaalsContact CB-OE2 3.32Å; P90-E164 WeakPolarHBondContact CB-OE2 3.36Å; P90-E164 WeakPolarHBondContact CG-OE1 3.01Å
91	S	72.6	Confident	84.6	Confident	59 Å²	59	29.9 Å²	29.9	41%	0.413	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.9	177.7	56.5	0	0	0	0	113.7
92	S	75.6	Confident	84.7	Confident	12 Å²	12	27 Å²	27	8%	0.084	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.8	169.8	34.6	0	0	0	0	114.2	P90 E164 Y581	P90-S92 WeakPolarHBondContact CB-OG 3.34Å; P90-S92 PolarHBondContact O-N 2.79Å; S92-E164 PolarHBondContact OG-OE2 2.81Å; S92-Y581 VanDerWaalsContact O-CE2 3.31Å; S92-Y581 WeakPolarHBondContact O-CE2 3.13Å; S92-Y581 PolarHBondContact O-OH 2.8Å
93	A	84.6	Confident	84.5	Confident	4 Å²	4	27.8 Å²	27.8	3%	0.033	17%	0.167	C	C	.	.			trans	-84	145.9	-159.4	0	0	0	0	0	115.3	P90 Y162 E163 E164	P90-A93 HydrophobicContact CB-CB 4.11Å; P90-A93 HydrophobicContact CG-CB 4.32Å; P90-A93 WeakPolarHBondContact O-CB 3.33Å; P90-A93 PolarHBondContact O-N 2.83Å; A93-Y162 HydrophobicContact CB-CD2 3.71Å; A93-Y162 HydrophobicContact CB-CE2 4.36Å; A93-Y162 HydrophobicContact CB-CG 4.4Å; A93-E163 WeakPolarHBondContact CA-O 3.39Å; A93-E164 HydrophobicContact CB-CB 4.23Å
94	F	87	Confident	84.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.9	166	-67.5	-7.3	0	0	0	110.6	S96 Y162 E163 Y581 I584 F616 T618 L880	F94-S96 PolarHBondContact O-N 2.8Å; F94-Y162 CarbonylContact O-C 3.55Å; F94-Y162 WeakPolarHBondContact O-CA 3.23Å; F94-Y162 WeakPolarHBondContact O-CB 3.37Å; F94-E163 PolarHBondContact N-O 3.5Å; F94-E163 PolarHBondContact O-N 3.36Å; F94-Y581 HydrophobicContact CD1-CD2 4.42Å; F94-Y581 HydrophobicContact CD1-CE2 4.36Å; F94-Y581 AromaticContact CD2-CD2 3.61Å; F94-Y581 HydrophobicContact CD2-CD2 3.61Å; F94-Y581 HydrophobicContact CD2-CE2 4.32Å; F94-Y581 HydrophobicContact CE1-CD2 4.21Å; F94-Y581 HydrophobicContact CE1-CE2 4.17Å; F94-Y581 AromaticContact CE2-CD2 3.47Å; F94-Y581 HydrophobicContact CE2-CD2 3.47Å; F94-Y581 VanDerWaalsContact CE2-CD2 3.47Å; F94-Y581 HydrophobicContact CE2-CE2 4.24Å; F94-Y581 HydrophobicContact CE2-CG 4.16Å; F94-Y581 HydrophobicContact CG-CD2 4.11Å; F94-Y581 HydrophobicContact CG-CE2 4.4Å; F94-Y581 AromaticContact CZ-CD2 3.76Å; F94-Y581 HydrophobicContact CZ-CD2 3.76Å; F94-Y581 HydrophobicContact CZ-CE2 4.13Å; F94-I584 HydrophobicContact CE2-CB 4.36Å; F94-I584 HydrophobicContact CE2-CD1 4.18Å; F94-I584 HydrophobicContact CE2-CG2 4.14Å; F94-I584 HydrophobicContact CZ-CB 4.46Å; F94-I584 HydrophobicContact CZ-CG2 3.94Å; F94-F616 HydrophobicContact CB-CB 4.27Å; F94-F616 HydrophobicContact CB-CD1 3.48Å; F94-F616 VanDerWaalsContact CB-CD1 3.48Å; F94-F616 HydrophobicContact CB-CE1 3.98Å; F94-F616 HydrophobicContact CB-CG 4.1Å; F94-F616 HydrophobicContact CD2-CB 3.71Å; F94-F616 AromaticContact CD2-CD1 3.5Å; F94-F616 HydrophobicContact CD2-CD1 3.5Å; F94-F616 VanDerWaalsContact CD2-CD1 3.5Å; F94-F616 AromaticContact CD2-CD2 3.65Å; F94-F616 HydrophobicContact CD2-CD2 3.65Å; F94-F616 AromaticContact CD2-CE1 3.85Å; F94-F616 HydrophobicContact CD2-CE1 3.85Å; F94-F616 HydrophobicContact CD2-CE2 4Å; F94-F616 AromaticContact CD2-CG 3.37Å; F94-F616 HydrophobicContact CD2-CG 3.37Å; F94-F616 HydrophobicContact CD2-CZ 4.1Å; F94-F616 HydrophobicContact CE2-CB 4.38Å; F94-F616 HydrophobicContact CE2-CD2 4.07Å; F94-F616 HydrophobicContact CE2-CE2 4.43Å; F94-F616 HydrophobicContact CE2-CG 4.17Å; F94-F616 HydrophobicContact CG-CB 4.22Å; F94-F616 AromaticContact CG-CD1 3.96Å; F94-F616 HydrophobicContact CG-CD1 3.96Å; F94-F616 HydrophobicContact CG-CE1 4.43Å; F94-F616 HydrophobicContact CG-CG 4.13Å; F94-T618 HydrophobicContact CD2-CG2 4.4Å; F94-T618 HydrophobicContact CE1-CG2 4.43Å; F94-T618 HydrophobicContact CE2-CG2 4.2Å; F94-T618 HydrophobicContact CZ-CG2 4.25Å; F94-L880 HydrophobicContact CD1-CD2 4.26Å; F94-L880 HydrophobicContact CE1-CD1 3.4Å; F94-L880 VanDerWaalsContact CE1-CD1 3.4Å; F94-L880 HydrophobicContact CE1-CD2 3.17Å; F94-L880 HydrophobicContact CE1-CG 3.79Å; F94-L880 HydrophobicContact CZ-CD1 3.77Å; F94-L880 HydrophobicContact CZ-CD2 3.42Å; F94-L880 VanDerWaalsContact CZ-CD2 3.42Å; F94-L880 HydrophobicContact CZ-CG 4.15Å
95	I	89.5	Confident	84.2	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.8	164.3	-57.1	150.2	0	0	0	107.6	L89 V134 F144 L160 V617 L623	L89-I95 HydrophobicContact CD1-CD1 3.88Å; L89-I95 HydrophobicContact CD1-CG1 3.84Å; I95-V134 HydrophobicContact CD1-CG1 3.85Å; I95-F144 HydrophobicContact CD1-CD2 3.69Å; I95-F144 HydrophobicContact CD1-CE2 4.15Å; I95-F144 HydrophobicContact CG1-CD2 4.27Å; I95-L160 HydrophobicContact CG1-CD1 4.34Å; I95-L160 HydrophobicContact CG2-CD1 3.61Å; I95-V617 HydrophobicContact CB-CB 4.02Å; I95-V617 HydrophobicContact CB-CG2 3.78Å; I95-V617 HydrophobicContact CD1-CB 4.37Å; I95-V617 HydrophobicContact CG2-CG2 4.01Å; I95-V617 PolarHBondContact O-N 3.39Å; I95-L623 HydrophobicContact CG2-CD1 4.23Å
96	S	88.8	Confident	84.3	Confident	16 Å²	16	38.6 Å²	38.6	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-21.9	179.1	63.3	0	0	0	0	114.2	F94 T161 E163 N615	F94-S96 PolarHBondContact O-N 2.8Å; S96-T161 PolarHBondContact N-O 3.36Å; S96-E163 WeakPolarHBondContact CB-OE1 3.44Å; S96-E163 PolarHBondContact OG-OE1 2.79Å; S96-N615 WeakPolarHBondContact CA-O 3.17Å
97	N	90.5	Very high	84.4	Confident	64 Å²	64	36.2 Å²	36.2	34%	0.342	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.9	172.5	-162.7	-50.3	0	0	0	110.4	T99 T161	N97-T99 PolarHBondContact OD1-OG1 3.34Å; N97-T161 PolarHBondContact N-O 3.31Å; N97-T161 PolarHBondContact O-N 2.94Å
98	F	90.7	Very high	84.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.7	160.4	176.6	-111.4	0	0	0	109.5	F85 I100 A109 F144 V146 F158 V159 L160 L623 V625	F85-F98 AromaticContact CD1-CE2 3.94Å; F85-F98 HydrophobicContact CD1-CE2 3.94Å; F85-F98 AromaticContact CE1-CE2 3.99Å; F85-F98 HydrophobicContact CE1-CE2 3.99Å; F98-I100 HydrophobicContact CD1-CG1 4.45Å; F98-I100 HydrophobicContact CE1-CD1 3.87Å; F98-I100 HydrophobicContact CE1-CG1 3.61Å; F98-I100 HydrophobicContact CZ-CD1 4.33Å; F98-I100 HydrophobicContact CZ-CG1 3.84Å; F98-A109 HydrophobicContact CB-CB 4.28Å; F98-A109 HydrophobicContact CD1-CB 4.21Å; F98-A109 WeakPolarHBondContact O-CB 3.46Å; F98-A109 PolarHBondContact O-N 2.7Å; F98-F144 HydrophobicContact CB-CE2 4.44Å; F98-F144 HydrophobicContact CB-CZ 4.15Å; F98-F144 AromaticContact CD1-CZ 3.91Å; F98-F144 HydrophobicContact CD1-CZ 3.91Å; F98-F144 AromaticContact CD2-CE1 3.86Å; F98-F144 HydrophobicContact CD2-CE1 3.86Å; F98-F144 HydrophobicContact CD2-CE2 4.34Å; F98-F144 AromaticContact CD2-CZ 3.43Å; F98-F144 HydrophobicContact CD2-CZ 3.43Å; F98-F144 VanDerWaalsContact CD2-CZ 3.43Å; F98-F144 HydrophobicContact CE1-CE1 4.48Å; F98-F144 HydrophobicContact CE1-CZ 4.11Å; F98-F144 AromaticContact CE2-CE1 3.63Å; F98-F144 HydrophobicContact CE2-CE1 3.63Å; F98-F144 AromaticContact CE2-CZ 3.66Å; F98-F144 HydrophobicContact CE2-CZ 3.66Å; F98-F144 HydrophobicContact CG-CE1 4.38Å; F98-F144 HydrophobicContact CG-CE2 4.32Å; F98-F144 AromaticContact CG-CZ 3.56Å; F98-F144 HydrophobicContact CG-CZ 3.56Å; F98-F144 AromaticContact CZ-CE1 3.96Å; F98-F144 HydrophobicContact CZ-CE1 3.96Å; F98-F144 AromaticContact CZ-CZ 3.98Å; F98-F144 HydrophobicContact CZ-CZ 3.98Å; F98-V146 HydrophobicContact CE1-CB 4.2Å; F98-V146 HydrophobicContact CE1-CG1 3.97Å; F98-V146 HydrophobicContact CE1-CG2 3.84Å; F98-V146 HydrophobicContact CZ-CB 3.98Å; F98-V146 HydrophobicContact CZ-CG1 3.97Å; F98-V146 HydrophobicContact CZ-CG2 4Å; F98-F158 HydrophobicContact CE2-CB 4.28Å; F98-F158 HydrophobicContact CZ-CD1 4.05Å; F98-V159 CarbonylContact C-O 3.58Å; F98-V159 WeakPolarHBondContact CA-O 3.24Å; F98-V159 VanDerWaalsContact CD2-O 3.24Å; F98-V159 WeakPolarHBondContact CD2-O 3.49Å; F98-L160 HydrophobicContact CB-CD1 4.13Å; F98-L160 HydrophobicContact CD2-CB 4.06Å; F98-L160 HydrophobicContact CD2-CD1 4.05Å; F98-L160 HydrophobicContact CG-CD1 4.49Å; F98-L623 HydrophobicContact CB-CD1 3.9Å; F98-L623 HydrophobicContact CB-CD2 3.85Å; F98-L623 HydrophobicContact CD1-CD2 4.07Å; F98-L623 HydrophobicContact CG-CD2 4.37Å; F98-V625 HydrophobicContact CE1-CG1 4.35Å
99	T	90.3	Very high	84.8	Confident	20 Å²	20	39.5 Å²	39.5	12%	0.123	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135	-173.5	-71.3	0	0	0	0	110.5	N97 V106 Y107 V108 V159	N97-T99 PolarHBondContact OD1-OG1 3.34Å; T99-V106 HydrophobicContact CG2-CG1 3.37Å; T99-Y107 WeakPolarHBondContact CA-O 3.36Å; T99-V108 HydrophobicContact CG2-CG2 4.36Å; T99-V159 PolarHBondContact N-O 2.6Å; T99-V159 PolarHBondContact O-N 2.97Å
100	I	88.8	Confident	85.1	Confident	15 Å²	15	44.2 Å²	44.2	8%	0.077	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.6	174.9	-50.5	173.4	0	0	0	108.6	F98 Y107 V148 F158 V625	F98-I100 HydrophobicContact CD1-CG1 4.45Å; F98-I100 HydrophobicContact CE1-CD1 3.87Å; F98-I100 HydrophobicContact CE1-CG1 3.61Å; F98-I100 HydrophobicContact CZ-CD1 4.33Å; F98-I100 HydrophobicContact CZ-CG1 3.84Å; I100-Y107 PolarHBondContact N-O 2.74Å; I100-Y107 WeakPolarHBondContact O-CD2 3.47Å; I100-Y107 PolarHBondContact O-N 2.88Å; I100-V148 HydrophobicContact CD1-CG2 4.07Å; I100-F158 HydrophobicContact CG1-CD1 4.13Å; I100-F158 HydrophobicContact CG1-CE1 4.42Å; I100-F158 HydrophobicContact CG2-CD1 4.15Å; I100-F158 HydrophobicContact CG2-CE1 4.01Å; I100-V625 HydrophobicContact CD1-CG1 3.79Å; I100-V625 HydrophobicContact CD1-CG2 4.25Å
101	A	88.7	Confident	85.4	Confident	32 Å²	32	43.2 Å²	43.2	26%	0.264	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.3	171.3	0	0	0	0	0	110.8	K105 V106 M156 S157	A101-K105 CarbonylContact C-O 3.55Å; A101-K105 WeakPolarHBondContact CA-O 3.38Å; A101-V106 HydrophobicContact CB-CG2 4.47Å; A101-M156 CarbonylContact O-C 3.57Å; A101-M156 VanDerWaalsContact O-CA 3.23Å; A101-M156 WeakPolarHBondContact O-CA 3.49Å; A101-S157 PolarHBondContact N-O 3.46Å; A101-S157 PolarHBondContact O-N 2.66Å
102	S	84.9	Confident	86.3	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.063	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	127.9	177.7	-177.3	0	0	0	0	110.3	G104 K105 M156	S102-G104 PolarHBondContact O-N 2.94Å; S102-K105 PolarHBondContact N-O 2.71Å; S102-K105 PolarHBondContact O-N 2.86Å; S102-M156 WeakPolarHBondContact OG-CE 3.42Å
103	N	77.7	Confident	86.9	Confident	124 Å²	124	47.2 Å²	47.2	66%	0.663	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	41.1	178.4	-62.5	-12.6	0	0	0	114.1	K105	N103-K105 PolarHBondContact O-N 3.48Å
104	G	74.4	Confident	86.9	Confident	82 Å²	82	49.7 Å²	49.7	85%	0.845	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-8.2	-179.3	0	0	0	0	0	115.7	S102	S102-G104 PolarHBondContact O-N 2.94Å
105	K	83.1	Confident	86.8	Confident	110 Å²	110	52 Å²	52	48%	0.478	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.3	169.8	-66.2	-172.7	177.4	-175.2	0	110.2	A101 S102 N103 Y107	A101-K105 CarbonylContact C-O 3.55Å; A101-K105 WeakPolarHBondContact CA-O 3.38Å; S102-K105 PolarHBondContact N-O 2.71Å; S102-K105 PolarHBondContact O-N 2.86Å; N103-K105 PolarHBondContact O-N 3.48Å; K105-Y107 HydrophobicContact CB-CE2 3.9Å
106	V	87.8	Confident	86.7	Confident	93 Å²	93	53.4 Å²	53.4	56%	0.564	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.8	179.5	-177.5	0	0	0	0	108.8	T99 A101 V108	T99-V106 HydrophobicContact CG2-CG1 3.37Å; A101-V106 HydrophobicContact CB-CG2 4.47Å; V106-V108 HydrophobicContact CG1-CG2 4.25Å
107	Y	86.8	Confident	86.4	Confident	42 Å²	42	52.6 Å²	52.6	17%	0.165	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	97	-179.5	-55.1	-80.8	0	0	0	108.4	T99 I100 K105 K627 P628	T99-Y107 WeakPolarHBondContact CA-O 3.36Å; I100-Y107 PolarHBondContact N-O 2.74Å; I100-Y107 WeakPolarHBondContact O-CD2 3.47Å; I100-Y107 PolarHBondContact O-N 2.88Å; K105-Y107 HydrophobicContact CB-CE2 3.9Å; Y107-K627 HydrophobicContact CE1-CG 4.2Å; Y107-K627 HydrophobicContact CE2-CG 4.39Å; Y107-P628 HydrophobicContact CE1-CG 4.11Å
108	V	88.2	Confident	86	Confident	85 Å²	85	55.4 Å²	55.4	52%	0.515	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.2	175.1	-173.4	0	0	0	0	108.6	T99 V106	T99-V108 HydrophobicContact CG2-CG2 4.36Å; V106-V108 HydrophobicContact CG1-CG2 4.25Å
109	A	86.6	Confident	85.8	Confident	11 Å²	11	62.6 Å²	62.6	9%	0.091	34%	0.341	C	S	.	.			trans	-75.2	149.4	176.2	0	0	0	0	0	111.3	F98 L623 V625	F98-A109 HydrophobicContact CB-CB 4.28Å; F98-A109 HydrophobicContact CD1-CB 4.21Å; F98-A109 WeakPolarHBondContact O-CB 3.46Å; F98-A109 PolarHBondContact O-N 2.7Å; A109-L623 HydrophobicContact CB-CD1 3.9Å; A109-L623 HydrophobicContact CB-CD2 3.48Å; A109-L623 VanDerWaalsContact CB-CD2 3.48Å; A109-L623 HydrophobicContact CB-CG 3.56Å; A109-V625 HydrophobicContact CB-CB 3.75Å; A109-V625 HydrophobicContact CB-CG1 4.5Å; A109-V625 HydrophobicContact CB-CG2 4.47Å
110	Q	88.8	Confident	85.6	Confident	114 Å²	114	65 Å²	65	53%	0.533	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.9	178.3	-60.3	-173.8	16.6	0	0	110.1	V624	Q110-V624 PolarHBondContact N-O 3.41Å; Q110-V624 PolarHBondContact O-N 3.35Å
111	V	89.1	Confident	85.2	Confident	12 Å²	12	66.7 Å²	66.7	7%	0.073	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.2	164.2	-174.2	0	0	0	0	108.3	L612 N615 V617 T621 L623	V111-L612 HydrophobicContact CG1-CD2 4.25Å; V111-N615 HydrophobicContact CG2-CB 4.34Å; V111-N615 WeakPolarHBondContact CG2-O 3.49Å; V111-V617 HydrophobicContact CG2-CG2 4.12Å; V111-T621 HydrophobicContact CG1-CG2 4.15Å; V111-L623 HydrophobicContact CG2-CB 4.44Å; V111-L623 HydrophobicContact CG2-CD1 4.28Å
112	K	89.7	Confident	84.8	Confident	69 Å²	69	67.5 Å²	67.5	30%	0.3	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	168.3	173.1	-59.4	-65.2	177.5	-163.7	0	109.2	A116 A117 I120 T621 S622 V624	K112-A116 HydrophobicContact CB-CB 4.43Å; K112-A117 HydrophobicContact CB-CB 4.11Å; K112-I120 HydrophobicContact CG-CD1 4.28Å; K112-T621 CarbonylContact O-C 3.5Å; K112-T621 VanDerWaalsContact O-CA 3.24Å; K112-T621 WeakPolarHBondContact O-CA 3.14Å; K112-T621 VanDerWaalsContact O-CB 3.3Å; K112-T621 WeakPolarHBondContact O-CB 3.43Å; K112-S622 PolarHBondContact N-O 2.86Å; K112-S622 PolarHBondContact O-N 3.41Å; K112-V624 HydrophobicContact CG-CG1 4.12Å
113	E	89.9	Confident	84.7	Confident	85 Å²	85	69.2 Å²	69.2	40%	0.397	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	143.8	163.7	175.5	-100.6	100.8	0	0	109.7	A115 A116 A117 T608	E113-A115 PolarHBondContact O-N 3.11Å; E113-A115 WeakPolarHBondContact OE1-CA 3.44Å; E113-A115 WeakPolarHBondContact OE1-CB 3.45Å; E113-A115 PolarHBondContact OE1-N 2.73Å; E113-A116 HydrophobicContact CB-CB 4.43Å; E113-A116 WeakPolarHBondContact O-CB 3.39Å; E113-A116 PolarHBondContact O-N 2.76Å; E113-A116 VanDerWaalsContact O-N 3.17Å; E113-A116 PolarHBondContact OE1-N 2.94Å; E113-A117 PolarHBondContact O-N 2.86Å; E113-T608 HydrophobicContact CB-CG2 4.08Å; E113-T608 HydrophobicContact CG-CG2 4.06Å
114	R	84	Confident	84.7	Confident	57 Å²	57	63.5 Å²	63.5	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-41.2	-163.4	177.9	164.3	179.1	141.9	3.2	114.1	R118 T136 P619 V620	R114-R118 WeakPolarHBondContact O-CB 3.32Å; R114-R118 PolarHBondContact O-N 3.02Å; R114-R118 VanDerWaalsContact O-N 3.14Å; R114-T136 PolarHBondContact NH2-O 3.24Å; R114-P619 WeakPolarHBondContact CD-O 3.17Å; R114-P619 PolarHBondContact NH1-O 3.45Å; R114-V620 WeakPolarHBondContact CB-O 3.43Å; R114-V620 PolarHBondContact N-O 3.15Å
115	A	83.9	Confident	84.6	Confident	49 Å²	49	65.9 Å²	65.9	41%	0.405	33%	0.33	S	S	.	.	H	α-helix	trans	-73.2	-37.3	177.4	0	0	0	0	0	111.3	E113 R118 K119	E113-A115 PolarHBondContact O-N 3.11Å; E113-A115 WeakPolarHBondContact OE1-CA 3.44Å; E113-A115 WeakPolarHBondContact OE1-CB 3.45Å; E113-A115 PolarHBondContact OE1-N 2.73Å; A115-R118 PolarHBondContact O-N 3.39Å; A115-K119 WeakPolarHBondContact O-CG 3.21Å; A115-K119 PolarHBondContact O-N 3.46Å
116	A	88.1	Confident	84.3	Confident	32 Å²	32	69.7 Å²	69.7	26%	0.264	35%	0.346	S	S	.	.	H	α-helix	trans	-61.6	-46.2	173.4	0	0	0	0	0	112.5	K112 E113 R118 K119 I120	K112-A116 HydrophobicContact CB-CB 4.43Å; E113-A116 HydrophobicContact CB-CB 4.43Å; E113-A116 WeakPolarHBondContact O-CB 3.39Å; E113-A116 PolarHBondContact O-N 2.76Å; E113-A116 VanDerWaalsContact O-N 3.17Å; E113-A116 PolarHBondContact OE1-N 2.94Å; A116-R118 VanDerWaalsContact C-N 3.31Å; A116-R118 PolarHBondContact O-N 3.5Å; A116-K119 PolarHBondContact O-N 3.45Å; A116-I120 WeakPolarHBondContact O-CG1 3.4Å; A116-I120 PolarHBondContact O-N 2.85Å; A116-I120 VanDerWaalsContact O-N 3.07Å
117	A	83.3	Confident	83.8	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-57.8	-43.9	174.7	0	0	0	0	0	111.9	K112 E113 I120 Y121 L133 V624	K112-A117 HydrophobicContact CB-CB 4.11Å; E113-A117 PolarHBondContact O-N 2.86Å; A117-I120 PolarHBondContact O-N 2.8Å; A117-Y121 PolarHBondContact O-N 2.9Å; A117-L133 HydrophobicContact CB-CD1 3.94Å; A117-V624 HydrophobicContact CB-CB 4.3Å; A117-V624 HydrophobicContact CB-CG1 4.27Å
118	R	81.7	Confident	82.8	Confident	122 Å²	122	72.4 Å²	72.4	46%	0.46	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-48.3	178.2	-174.1	71.5	-147.5	-147.5	2	111.7	R114 A115 A116 I120 Y121 D122	R114-R118 WeakPolarHBondContact O-CB 3.32Å; R114-R118 PolarHBondContact O-N 3.02Å; R114-R118 VanDerWaalsContact O-N 3.14Å; A115-R118 PolarHBondContact O-N 3.39Å; A116-R118 VanDerWaalsContact C-N 3.31Å; A116-R118 PolarHBondContact O-N 3.5Å; R118-I120 VanDerWaalsContact C-N 3.33Å; R118-I120 PolarHBondContact O-N 2.79Å; R118-Y121 PolarHBondContact O-N 3.05Å; R118-D122 IonicContact CZ-OD1 2.73Å; R118-D122 IonicContact CZ-OD2 3.56Å; R118-D122 IonicContact NE-OD1 3.77Å; R118-D122 PolarHBondContact NE-OD1 2.85Å; R118-D122 IonicContact NE-OD2 3.35Å; R118-D122 PolarHBondContact NE-OD2 3.48Å; R118-D122 IonicContact NH2-OD1 3.79Å; R118-D122 PolarHBondContact NH2-OD1 3.36Å; R118-D122 IonicContact NH2-OD2 3.24Å; R118-D122 PolarHBondContact NH2-OD2 3.39Å; R118-D122 PolarHBondContact O-N 3.13Å
119	K	87.2	Confident	81.9	Confident	151 Å²	151	69.7 Å²	69.7	66%	0.657	35%	0.354	S	S	*	.	H	α-helix	trans	-57.3	-43.4	176.7	-73.4	171.7	-179	178.8	0	111.9	A115 A116 A123	A115-K119 WeakPolarHBondContact O-CG 3.21Å; A115-K119 PolarHBondContact O-N 3.46Å; A116-K119 PolarHBondContact O-N 3.45Å; K119-A123 VanDerWaalsContact O-CB 3.29Å; K119-A123 WeakPolarHBondContact O-CB 3.37Å; K119-A123 PolarHBondContact O-N 3.48Å; K119-A123 VanDerWaalsContact O-N 3.09Å
120	I	85.1	Confident	80.7	Confident	70 Å²	70	71 Å²	71	36%	0.359	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-46.2	176.6	-67.3	163.4	0	0	0	111.3	K112 A116 A117 R118 A124 V624 V626	K112-I120 HydrophobicContact CG-CD1 4.28Å; A116-I120 WeakPolarHBondContact O-CG1 3.4Å; A116-I120 PolarHBondContact O-N 2.85Å; A116-I120 VanDerWaalsContact O-N 3.07Å; A117-I120 PolarHBondContact O-N 2.8Å; R118-I120 VanDerWaalsContact C-N 3.33Å; R118-I120 PolarHBondContact O-N 2.79Å; I120-A124 WeakPolarHBondContact O-CB 3.3Å; I120-A124 PolarHBondContact O-N 2.85Å; I120-V624 HydrophobicContact CB-CG2 4.32Å; I120-V624 HydrophobicContact CD1-CG1 4.32Å; I120-V624 HydrophobicContact CG2-CG1 4.3Å; I120-V624 HydrophobicContact CG2-CG2 3.86Å; I120-V626 HydrophobicContact CG2-CG2 3.84Å
121	Y	79.6	Confident	79.5	Confident	52 Å²	52	66.4 Å²	66.4	20%	0.204	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-48.6	179.3	167.8	-100.5	0	0	0	113	A117 R118 A123 A124 K125 A131 L133	A117-Y121 PolarHBondContact O-N 2.9Å; R118-Y121 PolarHBondContact O-N 3.05Å; Y121-A123 VanDerWaalsContact C-N 3.28Å; Y121-A123 PolarHBondContact O-N 2.89Å; Y121-A124 PolarHBondContact O-N 2.68Å; Y121-K125 HydrophobicContact CE1-CD 4.26Å; Y121-K125 WeakPolarHBondContact O-CB 3.47Å; Y121-K125 PolarHBondContact O-N 3.44Å; Y121-A131 HydrophobicContact CD2-CB 3.8Å; Y121-A131 HydrophobicContact CE2-CB 4.25Å; Y121-L133 HydrophobicContact CD1-CB 3.96Å; Y121-L133 HydrophobicContact CD1-CD2 3.77Å; Y121-L133 HydrophobicContact CD2-CB 3.45Å; Y121-L133 VanDerWaalsContact CD2-CB 3.45Å; Y121-L133 HydrophobicContact CE1-CB 4.41Å; Y121-L133 HydrophobicContact CE1-CD2 4.38Å; Y121-L133 HydrophobicContact CE2-CB 3.97Å; Y121-L133 HydrophobicContact CG-CB 3.43Å; Y121-L133 VanDerWaalsContact CG-CB 3.43Å; Y121-L133 HydrophobicContact CG-CD2 3.96Å; Y121-L133 HydrophobicContact CG-CG 4.25Å
122	D	80.6	Confident	78.3	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-32.4	-178.8	-71.1	-42.2	0	0	0	111.6	R118 K126	R118-D122 IonicContact CZ-OD1 2.73Å; R118-D122 IonicContact CZ-OD2 3.56Å; R118-D122 IonicContact NE-OD1 3.77Å; R118-D122 PolarHBondContact NE-OD1 2.85Å; R118-D122 IonicContact NE-OD2 3.35Å; R118-D122 PolarHBondContact NE-OD2 3.48Å; R118-D122 IonicContact NH2-OD1 3.79Å; R118-D122 PolarHBondContact NH2-OD1 3.36Å; R118-D122 IonicContact NH2-OD2 3.24Å; R118-D122 PolarHBondContact NH2-OD2 3.39Å; R118-D122 PolarHBondContact O-N 3.13Å; D122-K126 WeakPolarHBondContact O-CB 3.39Å; D122-K126 VanDerWaalsContact O-CG 3.25Å; D122-K126 WeakPolarHBondContact O-CG 3.49Å; D122-K126 PolarHBondContact O-N 2.78Å
123	A	84.3	Confident	77.1	Confident	45 Å²	45	64.1 Å²	64.1	37%	0.372	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-48.7	171.4	0	0	0	0	0	112.1	K119 Y121 K125 K126 Q127	K119-A123 VanDerWaalsContact O-CB 3.29Å; K119-A123 WeakPolarHBondContact O-CB 3.37Å; K119-A123 PolarHBondContact O-N 3.48Å; K119-A123 VanDerWaalsContact O-N 3.09Å; Y121-A123 VanDerWaalsContact C-N 3.28Å; Y121-A123 PolarHBondContact O-N 2.89Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 2.94Å; A123-K126 PolarHBondContact O-N 2.83Å; A123-Q127 WeakPolarHBondContact O-CG 3.1Å; A123-Q127 PolarHBondContact O-N 3.42Å; A123-Q127 VanDerWaalsContact O-N 3.1Å
124	A	77.2	Confident	75.8	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.033	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-38.6	178	0	0	0	0	0	112.2	I120 Y121 Q127 G128 K129 A131 V626	I120-A124 WeakPolarHBondContact O-CB 3.3Å; I120-A124 PolarHBondContact O-N 2.85Å; Y121-A124 PolarHBondContact O-N 2.68Å; A124-Q127 CarbonylContact O-C 3.2Å; A124-Q127 PolarHBondContact O-N 3.12Å; A124-G128 PolarHBondContact O-N 2.99Å; A124-K129 HydrophobicContact CB-CB 4.43Å; A124-K129 PolarHBondContact O-N 3.47Å; A124-A131 HydrophobicContact CB-CB 3.69Å; A124-V626 HydrophobicContact CB-CB 4.45Å; A124-V626 HydrophobicContact CB-CG1 3.77Å; A124-V626 HydrophobicContact CB-CG2 3.76Å
125	K	70.9	Confident	74.2	Confident	132 Å²	132	59.7 Å²	59.7	57%	0.574	32%	0.323	S	S	*	.	H	α-helix	trans	-63.7	-42	174.2	-174.7	180	176.3	-175.7	0	112.1	Y121 A123 Q127 G128	Y121-K125 HydrophobicContact CE1-CD 4.26Å; Y121-K125 WeakPolarHBondContact O-CB 3.47Å; Y121-K125 PolarHBondContact O-N 3.44Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 2.94Å; K125-Q127 PolarHBondContact O-N 3.37Å; K125-G128 PolarHBondContact O-N 2.95Å
126	K	77.5	Confident	72.2	Confident	190 Å²	190	58.2 Å²	58.2	83%	0.826	31%	0.309	S	S	*	.	H	α-helix	trans	-61.7	-29.8	173.1	-77.9	173.1	179.7	-176.6	0	112.7	D122 A123 G128	D122-K126 WeakPolarHBondContact O-CB 3.39Å; D122-K126 VanDerWaalsContact O-CG 3.25Å; D122-K126 WeakPolarHBondContact O-CG 3.49Å; D122-K126 PolarHBondContact O-N 2.78Å; A123-K126 PolarHBondContact O-N 2.83Å; K126-G128 VanDerWaalsContact C-N 3.31Å
127	Q	77	Confident	70	Confident	123 Å²	123	62.8 Å²	62.8	58%	0.575	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.6	175	-66.7	171.6	2	0	0	113.6	A123 A124 K125 K129	A123-Q127 WeakPolarHBondContact O-CG 3.1Å; A123-Q127 PolarHBondContact O-N 3.42Å; A123-Q127 VanDerWaalsContact O-N 3.1Å; A124-Q127 CarbonylContact O-C 3.2Å; A124-Q127 PolarHBondContact O-N 3.12Å; K125-Q127 PolarHBondContact O-N 3.37Å; Q127-K129 HydrophobicContact CB-CD 4.41Å; Q127-K129 HydrophobicContact CB-CG 3.96Å; Q127-K129 PolarHBondContact O-N 2.85Å
128	G	65.5	Low	67.9	Low	69 Å²	69	67.9 Å²	67.9	71%	0.711	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	2.4	-175.4	0	0	0	0	0	114.9	A124 K125 K126	A124-G128 PolarHBondContact O-N 2.99Å; K125-G128 PolarHBondContact O-N 2.95Å; K126-G128 VanDerWaalsContact C-N 3.31Å
129	K	69.3	Low	65.8	Low	27 Å²	27	72.7 Å²	72.7	12%	0.117	37%	0.365	C	S	.	.			trans	-68.7	148.1	-179.8	-59.4	-168.4	-173.3	-169	0	110.5	A124 Q127 A131 V626 D629 E632	A124-K129 HydrophobicContact CB-CB 4.43Å; A124-K129 PolarHBondContact O-N 3.47Å; Q127-K129 HydrophobicContact CB-CD 4.41Å; Q127-K129 HydrophobicContact CB-CG 3.96Å; Q127-K129 PolarHBondContact O-N 2.85Å; K129-A131 PolarHBondContact O-N 3.09Å; K129-A131 VanDerWaalsContact O-N 3.08Å; K129-V626 HydrophobicContact CB-CG1 4.43Å; K129-D629 WeakPolarHBondContact CE-OD2 3.27Å; K129-D629 IonicContact NZ-OD2 2.95Å; K129-E632 IonicContact NZ-OE1 3.68Å; K129-E632 PolarHBondContact NZ-OE1 2.79Å; K129-E632 IonicContact NZ-OE2 2.89Å; K129-E632 PolarHBondContact NZ-OE2 3.31Å
130	T	62.7	Low	63.6	Low	40 Å²	40	70 Å²	70	25%	0.245	36%	0.355	C	S	.	.			trans	-70.2	108.2	175.3	-55.8	0	0	0	0	109.3	V148 K627	T130-V148 HydrophobicContact CG2-CB 4.41Å; T130-V148 HydrophobicContact CG2-CG1 4Å; T130-V148 HydrophobicContact CG2-CG2 4.13Å; T130-K627 WeakPolarHBondContact O-CB 3.44Å; T130-K627 PolarHBondContact O-N 2.8Å
131	A	63.5	Low	61.9	Low	17 Å²	17	68.3 Å²	68.3	14%	0.14	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.7	179.3	0	0	0	0	0	111.3	Y121 A124 K129 V625 V626	Y121-A131 HydrophobicContact CD2-CB 3.8Å; Y121-A131 HydrophobicContact CE2-CB 4.25Å; A124-A131 HydrophobicContact CB-CB 3.69Å; K129-A131 PolarHBondContact O-N 3.09Å; K129-A131 VanDerWaalsContact O-N 3.08Å; A131-V625 CarbonylContact C-O 3.57Å; A131-V625 VanDerWaalsContact CA-O 3.27Å; A131-V625 WeakPolarHBondContact CA-O 3.34Å; A131-V626 HydrophobicContact CB-CG2 4.21Å
132	G	62.8	Low	61.1	Low	6 Å²	6	69 Å²	69	6%	0.062	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.1	169.2	0	0	0	0	0	109.6	V624 V625	G132-V624 WeakPolarHBondContact O-CA 3.2Å; G132-V625 PolarHBondContact N-O 3.31Å; G132-V625 PolarHBondContact O-N 3.09Å
133	L	64.7	Low	60.6	Low	27 Å²	27	71.5 Å²	71.5	14%	0.141	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.9	167.1	176.2	68.2	0	0	0	109	A117 Y121 A135 V624	A117-L133 HydrophobicContact CB-CD1 3.94Å; Y121-L133 HydrophobicContact CD1-CB 3.96Å; Y121-L133 HydrophobicContact CD1-CD2 3.77Å; Y121-L133 HydrophobicContact CD2-CB 3.45Å; Y121-L133 VanDerWaalsContact CD2-CB 3.45Å; Y121-L133 HydrophobicContact CE1-CB 4.41Å; Y121-L133 HydrophobicContact CE1-CD2 4.38Å; Y121-L133 HydrophobicContact CE2-CB 3.97Å; Y121-L133 HydrophobicContact CG-CB 3.43Å; Y121-L133 VanDerWaalsContact CG-CB 3.43Å; Y121-L133 HydrophobicContact CG-CD2 3.96Å; Y121-L133 HydrophobicContact CG-CG 4.25Å; L133-A135 HydrophobicContact CD1-CB 4.33Å; L133-A135 HydrophobicContact CD2-CB 3.93Å; L133-A135 HydrophobicContact CG-CB 3.87Å; L133-A135 PolarHBondContact O-N 3.41Å; L133-V624 HydrophobicContact CD1-CB 4.39Å
134	V	62	Low	60.2	Low	10 Å²	10	69.5 Å²	69.5	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	83.7	170.4	-177.3	0	0	0	0	106.8	I95 F144 V146 L623	I95-V134 HydrophobicContact CD1-CG1 3.85Å; V134-F144 HydrophobicContact CB-CE2 4.15Å; V134-F144 HydrophobicContact CG1-CD2 3.82Å; V134-F144 HydrophobicContact CG1-CE2 3.65Å; V134-F144 HydrophobicContact CG2-CD2 4.28Å; V134-F144 HydrophobicContact CG2-CE1 4.43Å; V134-F144 HydrophobicContact CG2-CE2 3.45Å; V134-F144 VanDerWaalsContact CG2-CE2 3.45Å; V134-F144 HydrophobicContact CG2-CZ 3.53Å; V134-V146 HydrophobicContact CG2-CG2 3.6Å; V134-L623 HydrophobicContact CB-CB 4.18Å; V134-L623 HydrophobicContact CB-CD2 3.85Å; V134-L623 HydrophobicContact CG2-CD2 3.55Å; V134-L623 PolarHBondContact N-O 2.77Å; V134-L623 PolarHBondContact O-N 2.88Å
135	A	50.7	Low	60.3	Low	39 Å²	39	75.4 Å²	75.4	32%	0.322	36%	0.364	S	S	.	.			trans	-113.6	113.8	166.1	0	0	0	0	0	106.8	L133 K137	L133-A135 HydrophobicContact CD1-CB 4.33Å; L133-A135 HydrophobicContact CD2-CB 3.93Å; L133-A135 HydrophobicContact CG-CB 3.87Å; L133-A135 PolarHBondContact O-N 3.41Å; A135-K137 PolarHBondContact O-N 2.81Å
136	T	43.6	Very low	60.6	Low	17 Å²	17	69.3 Å²	69.3	10%	0.104	34%	0.338	C	S	.	.			trans	-67.1	122.8	179.1	38.1	0	0	0	0	109.9	R114 I141 W881	R114-T136 PolarHBondContact NH2-O 3.24Å; T136-I141 HydrophobicContact CG2-CG2 4.06Å; T136-W881 WeakPolarHBondContact OG1-CZ3 3.3Å
137	K	40	Very low	60.5	Low	129 Å²	129	62 Å²	62	56%	0.561	31%	0.313	S	S	*	.			trans	-73.7	142.8	165.2	-60.4	-166.3	-149.9	133.2	0	108.5	A135 R139 E140 I141	A135-K137 PolarHBondContact O-N 2.81Å; K137-R139 PolarHBondContact O-N 2.75Å; K137-E140 HydrophobicContact CB-CB 4.32Å; K137-E140 VanDerWaalsContact CD-OE2 3.23Å; K137-E140 WeakPolarHBondContact CD-OE2 3.3Å; K137-E140 WeakPolarHBondContact CE-OE2 3.42Å; K137-E140 IonicContact NZ-OE1 3.61Å; K137-E140 PolarHBondContact NZ-OE1 3Å; K137-E140 IonicContact NZ-OE2 3.55Å; K137-E140 PolarHBondContact NZ-OE2 2.78Å; K137-E140 PolarHBondContact O-N 2.84Å; K137-I141 WeakPolarHBondContact O-CG1 3.27Å; K137-I141 PolarHBondContact O-N 2.78Å
138	E	39.8	Very low	60.5	Low	106 Å²	106	56.4 Å²	56.4	50%	0.495	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-5	-169.3	-58.2	178.2	141.1	0	0	115.6	I141 A884 G885	E138-I141 WeakPolarHBondContact O-CD1 3.45Å; E138-A884 HydrophobicContact CG-CB 4.09Å; E138-A884 WeakPolarHBondContact OE1-CB 3.09Å; E138-G885 WeakPolarHBondContact OE1-CA 3.44Å; E138-G885 PolarHBondContact OE1-N 3.09Å; E138-G885 VanDerWaalsContact OE1-N 3.09Å
139	R	37.7	Very low	61.2	Low	223 Å²	223	56 Å²	56	84%	0.842	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	6.5	174.2	-57.8	-173.2	-176.3	-156.3	-1.3	113.9	K137	K137-R139 PolarHBondContact O-N 2.75Å
140	E	41.3	Very low	61.9	Low	96 Å²	96	54.7 Å²	54.7	45%	0.449	27%	0.267	S	S	.	.	S	Bend	trans	-125.2	20.4	178.2	-62.8	174.7	163.3	0	0	111.4	K137 E142 K143	K137-E140 HydrophobicContact CB-CB 4.32Å; K137-E140 VanDerWaalsContact CD-OE2 3.23Å; K137-E140 WeakPolarHBondContact CD-OE2 3.3Å; K137-E140 WeakPolarHBondContact CE-OE2 3.42Å; K137-E140 IonicContact NZ-OE1 3.61Å; K137-E140 PolarHBondContact NZ-OE1 3Å; K137-E140 IonicContact NZ-OE2 3.55Å; K137-E140 PolarHBondContact NZ-OE2 2.78Å; K137-E140 PolarHBondContact O-N 2.84Å; E140-E142 VanDerWaalsContact C-N 3.33Å; E140-E142 PolarHBondContact O-N 2.77Å; E140-K143 WeakPolarHBondContact O-CB 3.31Å; E140-K143 PolarHBondContact O-N 2.89Å
141	I	49.3	Very low	63	Low	34 Å²	34	54.9 Å²	54.9	17%	0.174	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.8	-166.8	-45.1	178.6	0	0	0	112.4	T136 K137 E138 K143 W881	T136-I141 HydrophobicContact CG2-CG2 4.06Å; K137-I141 WeakPolarHBondContact O-CG1 3.27Å; K137-I141 PolarHBondContact O-N 2.78Å; E138-I141 WeakPolarHBondContact O-CD1 3.45Å; I141-K143 PolarHBondContact O-N 2.97Å; I141-W881 HydrophobicContact CD1-CB 3.41Å; I141-W881 VanDerWaalsContact CD1-CB 3.41Å; I141-W881 HydrophobicContact CD1-CG 4.4Å; I141-W881 HydrophobicContact CG1-CB 4.39Å; I141-W881 HydrophobicContact CG2-CB 3.65Å; I141-W881 HydrophobicContact CG2-CD2 3.88Å; I141-W881 HydrophobicContact CG2-CG 3.46Å; I141-W881 VanDerWaalsContact CG2-CG 3.46Å
142	E	62.8	Low	64.2	Low	65 Å²	65	57 Å²	57	30%	0.304	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	8.1	169.8	-58.9	-174.9	154.3	0	0	113.3	D88 L89 E140 R212	D88-E142 CarbonylContact C-O 3.5Å; D88-E142 WeakPolarHBondContact CA-O 3.29Å; L89-E142 PolarHBondContact N-O 3.08Å; L89-E142 WeakPolarHBondContact O-CA 3.27Å; E140-E142 VanDerWaalsContact C-N 3.33Å; E140-E142 PolarHBondContact O-N 2.77Å; E142-R212 IonicContact OE1-NH1 2.72Å; E142-R212 IonicContact OE2-CZ 3.62Å; E142-R212 IonicContact OE2-NH1 3.75Å; E142-R212 PolarHBondContact OE2-NH1 3.23Å; E142-R212 IonicContact OE2-NH2 3.3Å; E142-R212 PolarHBondContact OE2-NH2 2.92Å
143	K	69.2	Low	65.4	Low	103 Å²	103	58.9 Å²	58.9	45%	0.448	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	114.8	-177.7	-65.7	-176.5	-179.3	-82.3	0	112.7	V87 D88 E140 I141	V87-K143 CarbonylContact O-C 3.56Å; V87-K143 WeakPolarHBondContact O-CA 3.17Å; D88-K143 IonicContact OD1-NZ 3.68Å; D88-K143 PolarHBondContact OD1-NZ 3.2Å; D88-K143 IonicContact OD2-NZ 3.59Å; E140-K143 WeakPolarHBondContact O-CB 3.31Å; E140-K143 PolarHBondContact O-N 2.89Å; I141-K143 PolarHBondContact O-N 2.97Å
144	F	77.7	Confident	66.5	Low	2 Å²	2	58.4 Å²	58.4	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.9	159.1	-172.7	-84.3	0	0	0	109.4	F85 E86 V87 L89 I95 F98 V134 V146 L160	F85-F144 AromaticContact CD1-CD1 3.78Å; F85-F144 HydrophobicContact CD1-CD1 3.78Å; F85-F144 AromaticContact CD1-CE1 3.67Å; F85-F144 HydrophobicContact CD1-CE1 3.67Å; F85-F144 AromaticContact CE1-CD1 3.83Å; F85-F144 HydrophobicContact CE1-CD1 3.83Å; F85-F144 AromaticContact CE1-CE1 3.85Å; F85-F144 HydrophobicContact CE1-CE1 3.85Å; E86-F144 VanDerWaalsContact CA-O 3.31Å; E86-F144 WeakPolarHBondContact CA-O 3.3Å; V87-F144 HydrophobicContact CB-CB 4.18Å; V87-F144 PolarHBondContact N-O 2.8Å; V87-F144 PolarHBondContact O-N 3.46Å; L89-F144 HydrophobicContact CD1-CB 4.03Å; L89-F144 HydrophobicContact CG-CB 4.3Å; I95-F144 HydrophobicContact CD1-CD2 3.69Å; I95-F144 HydrophobicContact CD1-CE2 4.15Å; I95-F144 HydrophobicContact CG1-CD2 4.27Å; F98-F144 HydrophobicContact CB-CE2 4.44Å; F98-F144 HydrophobicContact CB-CZ 4.15Å; F98-F144 AromaticContact CD1-CZ 3.91Å; F98-F144 HydrophobicContact CD1-CZ 3.91Å; F98-F144 AromaticContact CD2-CE1 3.86Å; F98-F144 HydrophobicContact CD2-CE1 3.86Å; F98-F144 HydrophobicContact CD2-CE2 4.34Å; F98-F144 AromaticContact CD2-CZ 3.43Å; F98-F144 HydrophobicContact CD2-CZ 3.43Å; F98-F144 VanDerWaalsContact CD2-CZ 3.43Å; F98-F144 HydrophobicContact CE1-CE1 4.48Å; F98-F144 HydrophobicContact CE1-CZ 4.11Å; F98-F144 AromaticContact CE2-CE1 3.63Å; F98-F144 HydrophobicContact CE2-CE1 3.63Å; F98-F144 AromaticContact CE2-CZ 3.66Å; F98-F144 HydrophobicContact CE2-CZ 3.66Å; F98-F144 HydrophobicContact CG-CE1 4.38Å; F98-F144 HydrophobicContact CG-CE2 4.32Å; F98-F144 AromaticContact CG-CZ 3.56Å; F98-F144 HydrophobicContact CG-CZ 3.56Å; F98-F144 AromaticContact CZ-CE1 3.96Å; F98-F144 HydrophobicContact CZ-CE1 3.96Å; F98-F144 AromaticContact CZ-CZ 3.98Å; F98-F144 HydrophobicContact CZ-CZ 3.98Å; V134-F144 HydrophobicContact CB-CE2 4.15Å; V134-F144 HydrophobicContact CG1-CD2 3.82Å; V134-F144 HydrophobicContact CG1-CE2 3.65Å; V134-F144 HydrophobicContact CG2-CD2 4.28Å; V134-F144 HydrophobicContact CG2-CE1 4.43Å; V134-F144 HydrophobicContact CG2-CE2 3.45Å; V134-F144 VanDerWaalsContact CG2-CE2 3.45Å; V134-F144 HydrophobicContact CG2-CZ 3.53Å; F144-V146 HydrophobicContact CD1-CG2 4.42Å; F144-V146 HydrophobicContact CE1-CB 3.98Å; F144-V146 HydrophobicContact CE1-CG2 3.45Å; F144-V146 VanDerWaalsContact CE1-CG2 3.45Å; F144-V146 HydrophobicContact CZ-CG2 3.59Å; F144-L160 HydrophobicContact CB-CD2 3.84Å; F144-L160 HydrophobicContact CD1-CD2 3.93Å; F144-L160 HydrophobicContact CD2-CD1 3.61Å; F144-L160 HydrophobicContact CD2-CD2 3.76Å; F144-L160 HydrophobicContact CD2-CG 4.36Å; F144-L160 HydrophobicContact CE1-CD1 4.41Å; F144-L160 HydrophobicContact CE1-CD2 4.43Å; F144-L160 HydrophobicContact CE2-CD1 3.36Å; F144-L160 HydrophobicContact CE2-CD2 4.26Å; F144-L160 HydrophobicContact CE2-CG 4.43Å; F144-L160 HydrophobicContact CG-CD1 4.23Å; F144-L160 HydrophobicContact CG-CD2 3.57Å; F144-L160 HydrophobicContact CZ-CD1 3.82Å
145	R	78.5	Confident	67.9	Low	129 Å²	129	64.8 Å²	64.8	49%	0.487	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.9	172.4	-177.3	171	-161.7	-82.4	-9.4	111.6	F85 E86	F85-R145 WeakPolarHBondContact O-CA 3.45Å; E86-R145 HydrophobicContact CG-CB 4.11Å; E86-R145 HydrophobicContact CG-CG 3.72Å; E86-R145 IonicContact OE1-CZ 2.73Å; E86-R145 IonicContact OE1-NE 3.78Å; E86-R145 PolarHBondContact OE1-NE 2.72Å; E86-R145 IonicContact OE1-NH2 2.9Å; E86-R145 PolarHBondContact OE1-NH2 3.46Å
146	V	76.9	Confident	69.7	Low	3 Å²	3	63.2 Å²	63.2	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.3	170.3	167.5	0	0	0	0	109.8	A84 F85 F98 V134 F144 V148	A84-V146 WeakPolarHBondContact CA-O 3.36Å; F85-V146 PolarHBondContact N-O 2.83Å; F85-V146 PolarHBondContact O-N 3.16Å; F98-V146 HydrophobicContact CE1-CB 4.2Å; F98-V146 HydrophobicContact CE1-CG1 3.97Å; F98-V146 HydrophobicContact CE1-CG2 3.84Å; F98-V146 HydrophobicContact CZ-CB 3.98Å; F98-V146 HydrophobicContact CZ-CG1 3.97Å; F98-V146 HydrophobicContact CZ-CG2 4Å; V134-V146 HydrophobicContact CG2-CG2 3.6Å; F144-V146 HydrophobicContact CD1-CG2 4.42Å; F144-V146 HydrophobicContact CE1-CB 3.98Å; F144-V146 HydrophobicContact CE1-CG2 3.45Å; F144-V146 VanDerWaalsContact CE1-CG2 3.45Å; F144-V146 HydrophobicContact CZ-CG2 3.59Å; V146-V148 HydrophobicContact CG1-CG2 3.96Å
147	A	75.3	Confident	72	Confident	36 Å²	36	63.2 Å²	63.2	30%	0.298	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.8	178.4	0	0	0	0	0	110.9	E82 A83	E82-A147 HydrophobicContact CG-CB 4.25Å; E82-A147 WeakPolarHBondContact OE1-CB 3.47Å; A83-A147 CarbonylContact O-C 3.47Å; A83-A147 WeakPolarHBondContact O-CA 3.2Å
148	V	77.9	Confident	74.5	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	131.6	-174.4	167.4	0	0	0	0	111.4	E82 A83 I100 T130 V146 V150 M156 F158	E82-V148 WeakPolarHBondContact CA-O 3.35Å; A83-V148 PolarHBondContact N-O 2.93Å; A83-V148 PolarHBondContact O-N 2.82Å; I100-V148 HydrophobicContact CD1-CG2 4.07Å; T130-V148 HydrophobicContact CG2-CB 4.41Å; T130-V148 HydrophobicContact CG2-CG1 4Å; T130-V148 HydrophobicContact CG2-CG2 4.13Å; V146-V148 HydrophobicContact CG1-CG2 3.96Å; V148-V150 PolarHBondContact O-N 3.31Å; V148-M156 HydrophobicContact CG1-CE 4.12Å; V148-M156 HydrophobicContact CG1-SD 3.51Å; V148-M156 VanDerWaalsContact CG1-SD 3.51Å; V148-F158 HydrophobicContact CB-CE1 4.21Å; V148-F158 HydrophobicContact CB-CZ 4.27Å; V148-F158 HydrophobicContact CG2-CE1 4.09Å
149	S	79.4	Confident	77.1	Confident	60 Å²	60	54 Å²	54	42%	0.42	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	112.1	172.5	-60.3	0	0	0	0	111.7	P151	S149-P151 WeakPolarHBondContact O-CD 3.48Å
150	V	83.1	Confident	79.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.5	176.1	-166.1	0	0	0	0	109.5	L49 V73 N75 T80 K81 A83 V148 T154 M156	L49-V150 HydrophobicContact CD1-CB 4.46Å; L49-V150 HydrophobicContact CD1-CG2 4.05Å; V73-V150 HydrophobicContact CG2-CG2 4.18Å; N75-V150 HydrophobicContact CB-CB 4.19Å; N75-V150 HydrophobicContact CB-CG1 3.71Å; N75-V150 PolarHBondContact ND2-O 2.94Å; T80-V150 WeakPolarHBondContact CA-O 3.43Å; K81-V150 PolarHBondContact N-O 3.44Å; K81-V150 WeakPolarHBondContact O-CA 3.07Å; K81-V150 WeakPolarHBondContact O-CB 3.42Å; K81-V150 PolarHBondContact O-N 2.79Å; A83-V150 HydrophobicContact CB-CG2 3.58Å; V148-V150 PolarHBondContact O-N 3.31Å; V150-T154 HydrophobicContact CG1-CG2 4.27Å; V150-M156 HydrophobicContact CB-SD 4.35Å; V150-M156 HydrophobicContact CG1-CE 4.35Å; V150-M156 HydrophobicContact CG1-CG 4.2Å; V150-M156 HydrophobicContact CG1-SD 4.21Å; V150-M156 HydrophobicContact CG2-SD 3.85Å
151	P	85.8	Confident	82.2	Confident	44 Å²	44	39.8 Å²	39.8	29%	0.286	22%	0.217	S	C	.	.			trans	-63.5	160.9	177.7	-20.8	32.8	0	0	0	112.9	N75 S149 T154	N75-P151 WeakPolarHBondContact CB-O 3.21Å; N75-P151 PolarHBondContact ND2-O 2.77Å; S149-P151 WeakPolarHBondContact O-CD 3.48Å; P151-T154 VanDerWaalsContact O-CB 3.28Å; P151-T154 WeakPolarHBondContact O-CB 3.49Å; P151-T154 PolarHBondContact O-N 2.86Å; P151-T154 VanDerWaalsContact O-N 3.16Å
152	S	89.1	Confident	84.2	Confident	61 Å²	61	38.2 Å²	38.2	43%	0.427	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	139.2	172.6	176.2	0	0	0	0	111.8	L77 T154	L77-S152 WeakPolarHBondContact O-CB 3.48Å; L77-S152 PolarHBondContact O-OG 2.88Å; L77-S152 VanDerWaalsContact O-OG 3.06Å; S152-T154 PolarHBondContact O-N 2.84Å; S152-T154 PolarHBondContact O-OG1 2.92Å
153	G	88.3	Confident	85.6	Confident	47 Å²	47	35.8 Å²	35.8	49%	0.485	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	-13.7	-178.6	0	0	0	0	0	116.4	W74 N75	W74-G153 PolarHBondContact NE1-O 3.18Å; N75-G153 CarbonylContact O-C 3.5Å; N75-G153 WeakPolarHBondContact O-CA 3.48Å; N75-G153 PolarHBondContact O-N 2.88Å
154	T	88.8	Confident	86.5	Confident	16 Å²	16	31.2 Å²	31.2	10%	0.098	18%	0.178	C	C	.	.			trans	-77.2	142.3	-168.7	-63.8	0	0	0	0	112.5	N75 V150 P151 S152 M156	N75-T154 PolarHBondContact N-O 2.04Å; V150-T154 HydrophobicContact CG1-CG2 4.27Å; P151-T154 VanDerWaalsContact O-CB 3.28Å; P151-T154 WeakPolarHBondContact O-CB 3.49Å; P151-T154 PolarHBondContact O-N 2.86Å; P151-T154 VanDerWaalsContact O-N 3.16Å; S152-T154 PolarHBondContact O-N 2.84Å; S152-T154 PolarHBondContact O-OG1 2.92Å; T154-M156 HydrophobicContact CG2-CE 4.22Å; T154-M156 HydrophobicContact CG2-CG 4.25Å
155	R	90.1	Very high	87.1	Confident	144 Å²	144	31.6 Å²	31.6	54%	0.543	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.7	166.8	-66.7	-173.9	-177.5	-178.9	1.9	110.5	V73 W74	V73-R155 WeakPolarHBondContact O-CA 3.43Å; W74-R155 HydrophobicContact CB-CG 3.93Å; W74-R155 VanDerWaalsContact CD1-CG 3.44Å; W74-R155 HydrophobicContact CD2-CG 4.49Å; W74-R155 HydrophobicContact CG-CG 3.7Å
156	M	90.1	Very high	87.7	Confident	7 Å²	7	25.6 Å²	25.6	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147	170.2	-66.3	-175.3	178.4	0	0	109.9	S72 V73 A101 S102 V148 V150 T154 F158	S72-M156 CarbonylContact C-O 3.51Å; S72-M156 WeakPolarHBondContact CA-O 3.46Å; V73-M156 HydrophobicContact CG2-CB 4.02Å; V73-M156 PolarHBondContact N-O 3.08Å; V73-M156 PolarHBondContact O-N 3.39Å; A101-M156 CarbonylContact O-C 3.57Å; A101-M156 VanDerWaalsContact O-CA 3.23Å; A101-M156 WeakPolarHBondContact O-CA 3.49Å; S102-M156 WeakPolarHBondContact OG-CE 3.42Å; V148-M156 HydrophobicContact CG1-CE 4.12Å; V148-M156 HydrophobicContact CG1-SD 3.51Å; V148-M156 VanDerWaalsContact CG1-SD 3.51Å; V150-M156 HydrophobicContact CB-SD 4.35Å; V150-M156 HydrophobicContact CG1-CE 4.35Å; V150-M156 HydrophobicContact CG1-CG 4.2Å; V150-M156 HydrophobicContact CG1-SD 4.21Å; V150-M156 HydrophobicContact CG2-SD 3.85Å; T154-M156 HydrophobicContact CG2-CE 4.22Å; T154-M156 HydrophobicContact CG2-CG 4.25Å; M156-F158 HydrophobicContact CB-CE2 4.49Å; M156-F158 HydrophobicContact CB-CZ 4.4Å
157	S	91.9	Very high	88.2	Confident	17 Å²	17	26.6 Å²	26.6	12%	0.119	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.6	172.2	-157.9	0	0	0	0	108.8	Q70 S71 S72 A101	Q70-S157 PolarHBondContact NE2-OG 3.03Å; S71-S157 WeakPolarHBondContact O-CA 3.43Å; S72-S157 PolarHBondContact OG-OG 2.76Å; A101-S157 PolarHBondContact N-O 3.46Å; A101-S157 PolarHBondContact O-N 2.66Å
158	F	91.8	Very high	89	Confident	1 Å²	1	25.4 Å²	25.4	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.6	177.5	-55.8	-81.2	0	0	0	107.9	Q70 S71 V73 A83 F85 F98 I100 V148 M156	Q70-F158 CarbonylContact C-O 3.49Å; Q70-F158 VanDerWaalsContact CA-O 3.24Å; Q70-F158 WeakPolarHBondContact CA-O 3.25Å; S71-F158 PolarHBondContact N-O 2.87Å; S71-F158 PolarHBondContact O-N 3.03Å; V73-F158 HydrophobicContact CG1-CE2 4.28Å; V73-F158 HydrophobicContact CG2-CE2 3.73Å; V73-F158 HydrophobicContact CG2-CZ 4.47Å; A83-F158 HydrophobicContact CB-CE2 4.36Å; A83-F158 HydrophobicContact CB-CZ 4.28Å; F85-F158 HydrophobicContact CB-CB 4.2Å; F85-F158 HydrophobicContact CB-CD1 4.16Å; F85-F158 HydrophobicContact CB-CD2 3.94Å; F85-F158 HydrophobicContact CB-CE2 4.34Å; F85-F158 HydrophobicContact CB-CG 3.84Å; F85-F158 HydrophobicContact CD1-CB 4.25Å; F85-F158 HydrophobicContact CD2-CB 3.52Å; F85-F158 HydrophobicContact CD2-CD2 4.08Å; F85-F158 AromaticContact CD2-CG 3.98Å; F85-F158 HydrophobicContact CD2-CG 3.98Å; F85-F158 HydrophobicContact CE2-CB 3.85Å; F85-F158 HydrophobicContact CG-CB 3.72Å; F85-F158 HydrophobicContact CG-CD2 4.27Å; F85-F158 AromaticContact CG-CG 3.94Å; F85-F158 HydrophobicContact CG-CG 3.94Å; F85-F158 HydrophobicContact CZ-CB 4.33Å; F98-F158 HydrophobicContact CE2-CB 4.28Å; F98-F158 HydrophobicContact CZ-CD1 4.05Å; I100-F158 HydrophobicContact CG1-CD1 4.13Å; I100-F158 HydrophobicContact CG1-CE1 4.42Å; I100-F158 HydrophobicContact CG2-CD1 4.15Å; I100-F158 HydrophobicContact CG2-CE1 4.01Å; V148-F158 HydrophobicContact CB-CE1 4.21Å; V148-F158 HydrophobicContact CB-CZ 4.27Å; V148-F158 HydrophobicContact CG2-CE1 4.09Å; M156-F158 HydrophobicContact CB-CE2 4.49Å; M156-F158 HydrophobicContact CB-CZ 4.4Å
159	V	94.3	Very high	89.5	Confident	39 Å²	39	27.3 Å²	27.3	24%	0.236	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.3	176.2	-176.4	0	0	0	0	108	T68 I69 Q70 F98 T99	T68-V159 HydrophobicContact CG2-CG1 3.6Å; I69-V159 WeakPolarHBondContact O-CA 3.12Å; Q70-V159 HydrophobicContact CB-CG2 4.22Å; Q70-V159 HydrophobicContact CG-CG2 3.98Å; F98-V159 CarbonylContact C-O 3.58Å; F98-V159 WeakPolarHBondContact CA-O 3.24Å; F98-V159 VanDerWaalsContact CD2-O 3.24Å; F98-V159 WeakPolarHBondContact CD2-O 3.49Å; T99-V159 PolarHBondContact N-O 2.6Å; T99-V159 PolarHBondContact O-N 2.97Å
160	L	92.8	Very high	90	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.2	175.8	177.1	65.2	0	0	0	108.9	T68 I69 F85 V87 L89 I95 F98 F144	T68-L160 CarbonylContact C-O 3.56Å; T68-L160 VanDerWaalsContact CA-O 3.28Å; T68-L160 WeakPolarHBondContact CA-O 3.43Å; I69-L160 PolarHBondContact N-O 2.83Å; I69-L160 PolarHBondContact O-N 3.36Å; F85-L160 HydrophobicContact CE1-CB 3.83Å; F85-L160 HydrophobicContact CE1-CD2 4.1Å; F85-L160 HydrophobicContact CZ-CB 3.95Å; V87-L160 HydrophobicContact CB-CD2 3.92Å; V87-L160 HydrophobicContact CG1-CD2 3.91Å; V87-L160 HydrophobicContact CG2-CD2 4.14Å; L89-L160 HydrophobicContact CD2-CD2 4.35Å; I95-L160 HydrophobicContact CG1-CD1 4.34Å; I95-L160 HydrophobicContact CG2-CD1 3.61Å; F98-L160 HydrophobicContact CB-CD1 4.13Å; F98-L160 HydrophobicContact CD2-CB 4.06Å; F98-L160 HydrophobicContact CD2-CD1 4.05Å; F98-L160 HydrophobicContact CG-CD1 4.49Å; F144-L160 HydrophobicContact CB-CD2 3.84Å; F144-L160 HydrophobicContact CD1-CD2 3.93Å; F144-L160 HydrophobicContact CD2-CD1 3.61Å; F144-L160 HydrophobicContact CD2-CD2 3.76Å; F144-L160 HydrophobicContact CD2-CG 4.36Å; F144-L160 HydrophobicContact CE1-CD1 4.41Å; F144-L160 HydrophobicContact CE1-CD2 4.43Å; F144-L160 HydrophobicContact CE2-CD1 3.36Å; F144-L160 HydrophobicContact CE2-CD2 4.26Å; F144-L160 HydrophobicContact CE2-CG 4.43Å; F144-L160 HydrophobicContact CG-CD1 4.23Å; F144-L160 HydrophobicContact CG-CD2 3.57Å; F144-L160 HydrophobicContact CZ-CD1 3.82Å
161	T	93.4	Very high	90.4	Very high	22 Å²	22	29.3 Å²	29.3	14%	0.135	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131	171	-54.7	0	0	0	0	109.7	V66 T67 T68 S96 N97	V66-T161 HydrophobicContact CG1-CG2 3.91Å; T67-T161 CarbonylContact O-C 3.49Å; T67-T161 VanDerWaalsContact O-CA 3.31Å; T67-T161 WeakPolarHBondContact O-CA 3.47Å; T68-T161 WeakPolarHBondContact OG1-CG2 3.44Å; T68-T161 PolarHBondContact OG1-OG1 2.83Å; S96-T161 PolarHBondContact N-O 3.36Å; N97-T161 PolarHBondContact N-O 3.31Å; N97-T161 PolarHBondContact O-N 2.94Å
162	Y	91.8	Very high	90.8	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.7	173.4	66.4	-97.3	0	0	0	111.6	T67 I69 V87 L89 P90 A93 F94	T67-Y162 HydrophobicContact CG2-CE1 3.77Å; T67-Y162 HydrophobicContact CG2-CE2 4.17Å; T67-Y162 PolarHBondContact N-O 3.5Å; T67-Y162 PolarHBondContact O-N 3Å; I69-Y162 HydrophobicContact CD1-CE1 4.05Å; I69-Y162 HydrophobicContact CG1-CE1 4.35Å; V87-Y162 HydrophobicContact CG1-CE1 4.43Å; L89-Y162 HydrophobicContact CD2-CD1 3.39Å; L89-Y162 HydrophobicContact CD2-CD2 4.31Å; L89-Y162 HydrophobicContact CD2-CE1 3.7Å; L89-Y162 HydrophobicContact CD2-CG 3.72Å; P90-Y162 HydrophobicContact CG-CE2 4.05Å; A93-Y162 HydrophobicContact CB-CD2 3.71Å; A93-Y162 HydrophobicContact CB-CE2 4.36Å; A93-Y162 HydrophobicContact CB-CG 4.4Å; F94-Y162 CarbonylContact O-C 3.55Å; F94-Y162 WeakPolarHBondContact O-CA 3.23Å; F94-Y162 WeakPolarHBondContact O-CB 3.37Å
163	E	90.7	Very high	91	Very high	13 Å²	13	28.7 Å²	28.7	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.9	-169.5	-64.3	172.6	-139.4	0	0	110.5	Y64 A65 V66 A93 F94 S96 R577 F616	Y64-E163 HydrophobicContact CE1-CB 4.43Å; Y64-E163 PolarHBondContact OH-OE2 2.87Å; Y64-E163 VanDerWaalsContact OH-OE2 3.11Å; A65-E163 WeakPolarHBondContact O-CA 3.07Å; V66-E163 HydrophobicContact CB-CG 4.42Å; V66-E163 HydrophobicContact CG1-CG 4.05Å; V66-E163 HydrophobicContact CG2-CG 4.13Å; A93-E163 WeakPolarHBondContact CA-O 3.39Å; F94-E163 PolarHBondContact N-O 3.5Å; F94-E163 PolarHBondContact O-N 3.36Å; S96-E163 WeakPolarHBondContact CB-OE1 3.44Å; S96-E163 PolarHBondContact OG-OE1 2.79Å; E163-R577 IonicContact OE1-CZ 2.74Å; E163-R577 IonicContact OE1-NE 2.84Å; E163-R577 IonicContact OE1-NH2 2.69Å; E163-R577 PolarHBondContact OE1-NH2 3.23Å; E163-R577 IonicContact OE2-CZ 2.63Å; E163-R577 VanDerWaalsContact OE2-CZ 3.24Å; E163-R577 IonicContact OE2-NE 3.54Å; E163-R577 PolarHBondContact OE2-NE 3.5Å; E163-R577 IonicContact OE2-NH2 2.7Å; E163-R577 PolarHBondContact OE2-NH2 2.9Å; E163-F616 HydrophobicContact CB-CE1 4.35Å
164	E	88.8	Confident	91.2	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.7	178.3	67.3	-177.8	142.1	0	0	112.1	Y64 A65 P90 S92 A93 L166	Y64-E164 CarbonylContact C-O 3.49Å; Y64-E164 VanDerWaalsContact CD2-O 3.31Å; Y64-E164 WeakPolarHBondContact CD2-O 3.5Å; A65-E164 HydrophobicContact CB-CG 3.99Å; A65-E164 PolarHBondContact N-O 3.23Å; A65-E164 PolarHBondContact O-N 3.25Å; P90-E164 VanDerWaalsContact CB-OE2 3.32Å; P90-E164 WeakPolarHBondContact CB-OE2 3.36Å; P90-E164 WeakPolarHBondContact CG-OE1 3.01Å; S92-E164 PolarHBondContact OG-OE2 2.81Å; A93-E164 HydrophobicContact CB-CB 4.23Å; E164-L166 HydrophobicContact CG-CD2 4.2Å
165	L	89.9	Confident	91.4	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.6	160.4	-175.3	76.1	0	0	0	108.7	R63 Y64 F285 V517 L578 Y581 F582	R63-L165 HydrophobicContact CB-CD1 3.73Å; Y64-L165 HydrophobicContact CD2-CB 4.34Å; Y64-L165 HydrophobicContact CD2-CD1 4.4Å; L165-F285 HydrophobicContact CD1-CE1 4.23Å; L165-V517 HydrophobicContact CD2-CG2 4.37Å; L165-L578 HydrophobicContact CB-CD1 4.03Å; L165-L578 HydrophobicContact CD1-CD1 3.91Å; L165-L578 HydrophobicContact CD1-CD2 4Å; L165-L578 HydrophobicContact CD2-CD1 4.18Å; L165-L578 HydrophobicContact CG-CD1 4.26Å; L165-Y581 HydrophobicContact CB-CE1 3.92Å; L165-F582 HydrophobicContact CD2-CE1 4.44Å; L165-F582 HydrophobicContact CD2-CE2 3.89Å; L165-F582 HydrophobicContact CD2-CZ 3.44Å; L165-F582 VanDerWaalsContact CD2-CZ 3.44Å
166	L	91.5	Very high	91.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-72.1	123.5	177.2	-62	176.4	0	0	0	110.6	V60 R63 A65 E164 Y173 L175 Y264	V60-L166 HydrophobicContact CG1-CD1 3.97Å; V60-L166 HydrophobicContact CG2-CD1 4.42Å; R63-L166 WeakPolarHBondContact O-CG 3.45Å; R63-L166 PolarHBondContact O-N 3.25Å; A65-L166 HydrophobicContact CB-CD1 4.33Å; A65-L166 HydrophobicContact CB-CD2 4.27Å; A65-L166 HydrophobicContact CB-CG 4.13Å; E164-L166 HydrophobicContact CG-CD2 4.2Å; L166-Y173 HydrophobicContact CB-CD1 4.21Å; L166-Y173 WeakPolarHBondContact O-CD1 3.44Å; L166-L175 HydrophobicContact CD1-CB 4.09Å; L166-L175 HydrophobicContact CD2-CB 4.2Å; L166-L175 HydrophobicContact CD2-CD1 3.96Å; L166-Y264 HydrophobicContact CD1-CE1 3.86Å
167	P	88.1	Confident	91.7	Very high	25 Å²	25	24.5 Å²	24.5	16%	0.162	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-78.5	131.6	-179.5	31.3	-34.8	0	0	0	111.3	V874 E876	P167-V874 HydrophobicContact CB-CG1 3.75Å; P167-E876 WeakPolarHBondContact CG-OE1 3.49Å
168	R	91.6	Very high	91.6	Very high	10 Å²	10	24 Å²	24	4%	0.038	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-79.1	119.4	170.9	-155	-179.1	175.6	-111.7	-4.6	110.6	R172 Y173 D265 S514 E515 V874	R168-R172 CarbonylContact C-O 3.52Å; R168-R172 WeakPolarHBondContact CA-O 3.48Å; R168-Y173 HydrophobicContact CB-CD1 3.95Å; R168-Y173 HydrophobicContact CB-CE1 3.47Å; R168-Y173 VanDerWaalsContact CB-CE1 3.47Å; R168-Y173 WeakPolarHBondContact CD-OH 3.37Å; R168-Y173 HydrophobicContact CG-CD1 4.22Å; R168-Y173 HydrophobicContact CG-CE1 3.76Å; R168-Y173 HydrophobicContact CG-CE2 4.25Å; R168-D265 IonicContact CZ-OD1 3.43Å; R168-D265 IonicContact CZ-OD2 3.21Å; R168-D265 IonicContact NE-OD1 3.53Å; R168-D265 PolarHBondContact NE-OD1 2.89Å; R168-D265 IonicContact NE-OD2 2.73Å; R168-D265 IonicContact NH2-OD1 2.68Å; R168-D265 PolarHBondContact NH2-OD1 2.8Å; R168-D265 IonicContact NH2-OD2 3.91Å; R168-D265 PolarHBondContact NH2-OD2 2.85Å; R168-S514 PolarHBondContact NH1-O 3.2Å; R168-E515 HydrophobicContact CB-CB 3.62Å; R168-E515 HydrophobicContact CG-CB 4.36Å; R168-V874 WeakPolarHBondContact O-CG2 3.26Å
169	R	88.7	Confident	91.5	Very high	46 Å²	46	24 Å²	24	17%	0.174	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-135.5	140.4	177.3	-58.4	-176.8	-168.3	-93.9	7.1	110.6	G171 R172 R463 E481 G513 V874 E876	R169-G171 PolarHBondContact O-N 3.17Å; R169-R172 PolarHBondContact N-O 3.31Å; R169-R172 WeakPolarHBondContact O-CG 3.25Å; R169-R172 PolarHBondContact O-N 3.01Å; R169-R463 VanDerWaalsContact NH1-NH2 3.1Å; R169-E481 WeakPolarHBondContact CD-OE2 3.28Å; R169-E481 IonicContact CZ-OE2 3.79Å; R169-E481 IonicContact NE-OE2 2.79Å; R169-E481 IonicContact NH1-OE2 3.58Å; R169-E481 PolarHBondContact NH1-OE2 3.02Å; R169-G513 CarbonylContact C-O 3.55Å; R169-V874 HydrophobicContact CG-CG2 4.39Å; R169-E876 IonicContact CZ-OE1 2.78Å; R169-E876 IonicContact CZ-OE2 3.31Å; R169-E876 IonicContact NH2-OE1 3.47Å; R169-E876 PolarHBondContact NH2-OE1 3.37Å; R169-E876 IonicContact NH2-OE2 3.56Å; R169-E876 PolarHBondContact NH2-OE2 2.8Å
170	L	89.6	Confident	91.3	Very high	84 Å²	84	24.3 Å²	24.3	44%	0.44	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	27.7	176.7	-53.8	178.1	0	0	0	114.4	D480 E481 G513	L170-D480 HydrophobicContact CD2-CB 4Å; L170-D480 WeakPolarHBondContact CD2-O 3.42Å; L170-E481 HydrophobicContact CD2-CG 4.06Å; L170-E481 HydrophobicContact CG-CG 4.2Å; L170-G513 PolarHBondContact N-O 2.92Å; L170-G513 VanDerWaalsContact N-O 3.17Å
171	G	91.6	Very high	91.1	Very high	19 Å²	19	24.6 Å²	24.6	20%	0.196	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	18.9	179.5	0	0	0	0	0	115.3	R169 D265 G513	R169-G171 PolarHBondContact O-N 3.17Å; G171-D265 WeakPolarHBondContact O-CB 3.45Å; G171-D265 VanDerWaalsContact O-CG 3.22Å; G171-G513 VanDerWaalsContact N-CA 3.34Å; G171-G513 PolarHBondContact N-O 3.24Å
172	R	93.5	Very high	90.8	Very high	91 Å²	91	26.8 Å²	26.8	34%	0.343	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-153.4	160	178.8	65.7	-176.5	-179.6	-131.7	-4.5	113.4	R168 R169 F202 Q263 Y264	R168-R172 CarbonylContact C-O 3.52Å; R168-R172 WeakPolarHBondContact CA-O 3.48Å; R169-R172 PolarHBondContact N-O 3.31Å; R169-R172 WeakPolarHBondContact O-CG 3.25Å; R169-R172 PolarHBondContact O-N 3.01Å; R172-F202 HydrophobicContact CB-CZ 3.87Å; R172-Q263 VanDerWaalsContact CZ-NE2 3.29Å; R172-Q263 VanDerWaalsContact NE-CD 3.34Å; R172-Q263 VanDerWaalsContact NE-NE2 3.19Å; R172-Y264 CarbonylContact C-O 3.56Å; R172-Y264 WeakPolarHBondContact CA-O 3.33Å
173	Y	94.1	Very high	90.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	152.7	160.4	-49	-82.4	0	0	0	109.3	R63 L166 R168 Q263 Y264 D265 V266 E515	R63-Y173 HydrophobicContact CB-CE1 4.28Å; R63-Y173 HydrophobicContact CG-CD1 3.89Å; R63-Y173 HydrophobicContact CG-CE1 3.25Å; R63-Y173 HydrophobicContact CG-CE2 4.2Å; R63-Y173 VanDerWaalsContact CG-CZ 3.45Å; R63-Y173 PolarHBondContact NE-OH 2.83Å; L166-Y173 HydrophobicContact CB-CD1 4.21Å; L166-Y173 WeakPolarHBondContact O-CD1 3.44Å; R168-Y173 HydrophobicContact CB-CD1 3.95Å; R168-Y173 HydrophobicContact CB-CE1 3.47Å; R168-Y173 VanDerWaalsContact CB-CE1 3.47Å; R168-Y173 WeakPolarHBondContact CD-OH 3.37Å; R168-Y173 HydrophobicContact CG-CD1 4.22Å; R168-Y173 HydrophobicContact CG-CE1 3.76Å; R168-Y173 HydrophobicContact CG-CE2 4.25Å; Y173-Q263 WeakPolarHBondContact O-CA 3.27Å; Y173-Y264 HydrophobicContact CD2-CD1 4.48Å; Y173-Y264 AromaticContact CD2-CD2 3.91Å; Y173-Y264 HydrophobicContact CD2-CD2 3.91Å; Y173-Y264 HydrophobicContact CD2-CE1 4.23Å; Y173-Y264 AromaticContact CD2-CE2 3.61Å; Y173-Y264 HydrophobicContact CD2-CE2 3.61Å; Y173-Y264 HydrophobicContact CD2-CG 4.33Å; Y173-Y264 AromaticContact CD2-CZ 3.79Å; Y173-Y264 WeakPolarHBondContact CD2-O 3.41Å; Y173-Y264 HydrophobicContact CE2-CE2 4.17Å; Y173-Y264 HydrophobicContact CG-CE1 4.21Å; Y173-Y264 HydrophobicContact CG-CE2 4.31Å; Y173-Y264 PolarHBondContact N-O 3.5Å; Y173-Y264 PolarHBondContact O-N 3.01Å; Y173-D265 WeakPolarHBondContact CE2-OD1 3.41Å; Y173-V266 HydrophobicContact CE2-CG1 3.95Å; Y173-V266 HydrophobicContact CE2-CG2 4.14Å; Y173-E515 VanDerWaalsContact OH-CD 3.3Å; Y173-E515 PolarHBondContact OH-OE1 2.89Å; Y173-E515 PolarHBondContact OH-OE2 2.77Å; Y173-E515 VanDerWaalsContact OH-OE2 3.08Å
174	E	92.6	Very high	90.7	Very high	82 Å²	82	30.1 Å²	30.1	38%	0.383	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.4	173.1	-170.4	165.7	128.8	0	0	109.6	I261 I262 Q263	E174-I261 HydrophobicContact CG-CG2 3.47Å; E174-I261 VanDerWaalsContact CG-CG2 3.47Å; E174-I262 WeakPolarHBondContact CA-O 3.23Å; E174-Q263 HydrophobicContact CB-CG 4.36Å; E174-Q263 HydrophobicContact CG-CG 4.05Å; E174-Q263 PolarHBondContact OE2-NE2 2.87Å
175	L	93.6	Very high	90.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.9	173.4	171.4	65.8	0	0	0	108.2	V60 A65 L166 L177 V192 I261 I262	V60-L175 HydrophobicContact CG2-CD2 4.11Å; A65-L175 HydrophobicContact CB-CD1 4.4Å; L166-L175 HydrophobicContact CD1-CB 4.09Å; L166-L175 HydrophobicContact CD2-CB 4.2Å; L166-L175 HydrophobicContact CD2-CD1 3.96Å; L175-L177 HydrophobicContact CD1-CD2 4.13Å; L175-L177 HydrophobicContact CD1-CG 4.31Å; L175-L177 HydrophobicContact CD2-CD1 4.29Å; L175-L177 HydrophobicContact CG-CD1 4.4Å; L175-L177 HydrophobicContact CG-CG 4.19Å; L175-V192 HydrophobicContact CD2-CG1 3.81Å; L175-I261 WeakPolarHBondContact O-CA 3.45Å; L175-I262 HydrophobicContact CB-CB 4.43Å; L175-I262 HydrophobicContact CD2-CD1 4.31Å; L175-I262 PolarHBondContact N-O 2.8Å; L175-I262 PolarHBondContact O-N 2.96Å
176	S	91.9	Very high	90.9	Very high	42 Å²	42	35.8 Å²	35.8	29%	0.294	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.2	-177.8	-171.9	0	0	0	0	110.9
177	L	92.8	Very high	91	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	106.9	-175.7	-65	173.2	0	0	0	110.2	V56 C58 T67 L175 L179 L190 V192 F260	V56-L177 HydrophobicContact CG1-CD1 4.27Å; V56-L177 HydrophobicContact CG1-CD2 4.25Å; C58-L177 HydrophobicContact CB-CD1 4.09Å; C58-L177 HydrophobicContact CB-CD2 4.31Å; T67-L177 HydrophobicContact CG2-CD2 3.71Å; L175-L177 HydrophobicContact CD1-CD2 4.13Å; L175-L177 HydrophobicContact CD1-CG 4.31Å; L175-L177 HydrophobicContact CD2-CD1 4.29Å; L175-L177 HydrophobicContact CG-CD1 4.4Å; L175-L177 HydrophobicContact CG-CG 4.19Å; L177-L179 PolarHBondContact O-N 3.48Å; L177-L190 HydrophobicContact CB-CD1 3.91Å; L177-L190 HydrophobicContact CD1-CD1 3.75Å; L177-L190 HydrophobicContact CD1-CG 4.24Å; L177-L190 HydrophobicContact CG-CD1 4.5Å; L177-V192 HydrophobicContact CD1-CG2 3.57Å; L177-F260 HydrophobicContact CB-CB 4.47Å; L177-F260 PolarHBondContact N-O 3.48Å; L177-F260 PolarHBondContact O-N 3.35Å
178	G	89.9	Confident	91.3	Very high	7 Å²	7	37.4 Å²	37.4	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	106.4	-175.6	0	0	0	0	0	113.3	R180	G178-R180 PolarHBondContact O-N 2.82Å
179	L	90.9	Very high	91.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	110	173	-58	179.5	0	0	0	109.5	Y54 V56 L177 L190 L208 Y241 L256 N257 A258 F260	Y54-L179 HydrophobicContact CE1-CD2 4.34Å; V56-L179 HydrophobicContact CG2-CD2 3.84Å; L177-L179 PolarHBondContact O-N 3.48Å; L179-L190 HydrophobicContact CD2-CD1 4.14Å; L179-L208 HydrophobicContact CD1-CD2 4.24Å; L179-Y241 HydrophobicContact CD1-CD1 4.17Å; L179-Y241 HydrophobicContact CD1-CE1 3.72Å; L179-L256 HydrophobicContact CB-CB 4.41Å; L179-L256 HydrophobicContact CD1-CD1 4.17Å; L179-L256 CarbonylContact O-C 3.6Å; L179-N257 VanDerWaalsContact O-CA 3.31Å; L179-N257 WeakPolarHBondContact O-CA 3.19Å; L179-A258 WeakPolarHBondContact CA-O 3.31Å; L179-A258 WeakPolarHBondContact CB-O 3.49Å; L179-A258 PolarHBondContact N-O 3.13Å; L179-A258 PolarHBondContact O-N 3.03Å; L179-F260 HydrophobicContact CD1-CB 4.17Å; L179-F260 HydrophobicContact CG-CB 4.41Å
180	R	89.1	Confident	92	Very high	46 Å²	46	35.6 Å²	35.6	17%	0.174	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	70.6	-172.4	-57.1	-63.7	-172.5	-92.2	-4.8	111	Y54 D88 G178 N257 A258 D259	Y54-R180 PolarHBondContact OH-N 3.04Å; D88-R180 IonicContact OD2-CZ 2.85Å; D88-R180 IonicContact OD2-NE 3.06Å; D88-R180 PolarHBondContact OD2-NE 3.33Å; D88-R180 IonicContact OD2-NH2 3.96Å; D88-R180 PolarHBondContact OD2-NH2 2.89Å; G178-R180 PolarHBondContact O-N 2.82Å; R180-N257 VanDerWaalsContact CD-OD1 3.28Å; R180-N257 WeakPolarHBondContact CD-OD1 3.5Å; R180-A258 PolarHBondContact NH1-O 3.14Å; R180-D259 IonicContact CZ-OD1 3.25Å; R180-D259 IonicContact NH1-OD1 2.92Å; R180-D259 PolarHBondContact NH1-OD1 3.21Å; R180-D259 IonicContact NH2-OD1 2.69Å; R180-D259 PolarHBondContact NH2-OD1 3.42Å; R180-D259 IonicContact NH2-OD2 3.25Å
181	T	88.9	Confident	92.3	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.043	19%	0.185	C	C	.	.			trans	-87.5	-20.6	-168.9	70.1	0	0	0	0	115.1	Y54 Q183 V185 L188 L256	Y54-T181 HydrophobicContact CD1-CG2 3.92Å; Y54-T181 HydrophobicContact CD2-CG2 4.14Å; Y54-T181 HydrophobicContact CE1-CG2 4.18Å; Y54-T181 HydrophobicContact CE2-CG2 4.38Å; Y54-T181 HydrophobicContact CG-CG2 3.89Å; T181-Q183 WeakPolarHBondContact CB-O 3.09Å; T181-Q183 PolarHBondContact O-N 3.21Å; T181-Q183 PolarHBondContact OG1-O 2.67Å; T181-V185 HydrophobicContact CG2-CG2 4.07Å; T181-L188 HydrophobicContact CG2-CD1 3.79Å; T181-L188 HydrophobicContact CG2-CG 4.45Å; T181-L256 PolarHBondContact N-O 2.59Å; T181-L256 PolarHBondContact OG1-N 2.74Å; T181-L256 VanDerWaalsContact OG1-N 3.09Å
182	G	86.7	Confident	92.5	Very high	67 Å²	67	31.9 Å²	31.9	69%	0.691	18%	0.176	S	C	*	.	S	Bend	trans	66	-11.1	177	0	0	0	0	0	116.7	K254	G182-K254 CarbonylContact C-O 3.5Å; G182-K254 VanDerWaalsContact O-O 3.11Å
183	Q	89.6	Confident	92.5	Very high	45 Å²	45	28.4 Å²	28.4	21%	0.21	17%	0.165	C	C	.	.	S	Bend	trans	-155.9	161.3	168.3	66.2	-163.2	-88.7	0	0	108.9	L49 V51 T181 V185 K254	L49-Q183 PolarHBondContact O-NE2 2.63Å; V51-Q183 HydrophobicContact CB-CG 4.1Å; V51-Q183 HydrophobicContact CG2-CG 4.34Å; T181-Q183 WeakPolarHBondContact CB-O 3.09Å; T181-Q183 PolarHBondContact O-N 3.21Å; T181-Q183 PolarHBondContact OG1-O 2.67Å; Q183-V185 WeakPolarHBondContact O-CG2 3.48Å; Q183-V185 PolarHBondContact O-N 3.08Å; Q183-K254 WeakPolarHBondContact CA-O 3.28Å; Q183-K254 PolarHBondContact N-O 3.28Å; Q183-K254 VanDerWaalsContact N-O 3.12Å
184	P	92.3	Very high	92.5	Very high	40 Å²	40	28.4 Å²	28.4	26%	0.26	17%	0.165	S	C	.	.			trans	-62	129.9	169.5	-21.8	34.5	0	0	0	110.7	L245	P184-L245 HydrophobicContact CB-CD2 3.8Å
185	V	93.1	Very high	92.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.157	C	C	.	.			trans	-109.6	134.6	-174	-177.3	0	0	0	0	110.1	V51 T52 T181 Q183 N187 L188 L245 Q248	V51-V185 HydrophobicContact CB-CG2 4.07Å; V51-V185 HydrophobicContact CG1-CB 4.45Å; V51-V185 HydrophobicContact CG1-CG1 3.95Å; V51-V185 HydrophobicContact CG1-CG2 3.59Å; T52-V185 WeakPolarHBondContact O-CG1 3.31Å; T181-V185 HydrophobicContact CG2-CG2 4.07Å; Q183-V185 WeakPolarHBondContact O-CG2 3.48Å; Q183-V185 PolarHBondContact O-N 3.08Å; V185-N187 VanDerWaalsContact C-N 3.34Å; V185-N187 PolarHBondContact O-N 3.05Å; V185-L188 HydrophobicContact CB-CB 4.43Å; V185-L245 WeakPolarHBondContact O-CD2 3.45Å; V185-Q248 PolarHBondContact O-NE2 3.23Å; V185-Q248 PolarHBondContact O-OE1 2.77Å
186	Q	88.6	Confident	92.3	Very high	136 Å²	136	26.6 Å²	26.6	64%	0.636	16%	0.157	S	C	*	.	S	Bend	trans	-71.6	-29.9	-173.2	-173.4	167.5	-4.6	0	0	113	L245	Q186-L245 HydrophobicContact CG-CD1 4.47Å
187	N	93.5	Very high	92.1	Very high	60 Å²	60	29.6 Å²	29.6	32%	0.321	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	93.1	178.2	-177.5	19.9	0	0	0	108.6	T52 D53 Y54 H55 V185	T52-N187 PolarHBondContact O-N 2.65Å; D53-N187 CarbonylContact C-O 3.6Å; D53-N187 WeakPolarHBondContact CA-O 3.46Å; D53-N187 HydrophobicContact CB-CB 4.38Å; D53-N187 WeakPolarHBondContact OD1-CB 2.97Å; D53-N187 PolarHBondContact OD1-ND2 2.69Å; Y54-N187 PolarHBondContact N-O 3.04Å; H55-N187 PolarHBondContact CE1-ND2 2.85Å; H55-N187 VanDerWaalsContact CE1-ND2 3.3Å; H55-N187 PolarHBondContact CE1-OD1 3.26Å; H55-N187 PolarHBondContact NE2-ND2 3.44Å; V185-N187 VanDerWaalsContact C-N 3.34Å; V185-N187 PolarHBondContact O-N 3.05Å
188	L	95.4	Very high	91.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118	-177.8	-162.6	172.9	0	0	0	108.8	Y54 T181 V185 N242 P243 Q248 L256	Y54-L188 WeakPolarHBondContact O-CA 3.4Å; T181-L188 HydrophobicContact CG2-CD1 3.79Å; T181-L188 HydrophobicContact CG2-CG 4.45Å; V185-L188 HydrophobicContact CB-CB 4.43Å; L188-N242 PolarHBondContact O-OD1 3.36Å; L188-P243 HydrophobicContact CB-CG 4.45Å; L188-P243 HydrophobicContact CD1-CG 4.11Å; L188-P243 HydrophobicContact CD2-CG 4.05Å; L188-P243 HydrophobicContact CG-CG 4.43Å; L188-Q248 HydrophobicContact CD1-CG 4.24Å; L188-L256 HydrophobicContact CD1-CD1 3.83Å; L188-L256 HydrophobicContact CD1-CG 4.38Å
189	T	96.8	Very high	92	Very high	18 Å²	18	31 Å²	31	11%	0.11	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.5	175.9	70	0	0	0	0	111.8	Y54 H55 V56 Y240 Y241	Y54-T189 PolarHBondContact O-N 3.28Å; Y54-T189 VanDerWaalsContact O-N 3.12Å; H55-T189 CarbonylContact C-O 3.55Å; H55-T189 WeakPolarHBondContact CA-O 3.43Å; H55-T189 PolarHBondContact ND1-OG1 2.94Å; V56-T189 PolarHBondContact N-O 3.19Å; T189-Y240 HydrophobicContact CG2-CE2 4.41Å; T189-Y240 WeakPolarHBondContact CG2-OH 3.28Å; T189-Y241 CarbonylContact C-O 3.59Å; T189-Y241 WeakPolarHBondContact CA-O 3.41Å
190	L	96.9	Very high	92.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.1	161.4	169.2	152.9	0	0	0	107.6	V56 L177 L179 V192 Y240 Y241 F260	V56-L190 HydrophobicContact CB-CB 4.3Å; V56-L190 HydrophobicContact CB-CD1 4.48Å; V56-L190 HydrophobicContact CB-CG 4.41Å; V56-L190 HydrophobicContact CG1-CD1 4.44Å; V56-L190 WeakPolarHBondContact O-CA 3.46Å; L177-L190 HydrophobicContact CB-CD1 3.91Å; L177-L190 HydrophobicContact CD1-CD1 3.75Å; L177-L190 HydrophobicContact CD1-CG 4.24Å; L177-L190 HydrophobicContact CG-CD1 4.5Å; L179-L190 HydrophobicContact CD2-CD1 4.14Å; L190-V192 HydrophobicContact CD2-CG2 3.68Å; L190-V192 HydrophobicContact CG-CG2 4.11Å; L190-Y240 CarbonylContact O-C 3.59Å; L190-Y240 WeakPolarHBondContact O-CA 3.27Å; L190-Y241 HydrophobicContact CB-CD1 4.22Å; L190-Y241 PolarHBondContact N-O 2.86Å; L190-Y241 PolarHBondContact O-N 2.93Å; L190-F260 HydrophobicContact CD1-CB 3.76Å; L190-F260 HydrophobicContact CD1-CD1 3.89Å; L190-F260 HydrophobicContact CD1-CD2 4.29Å; L190-F260 HydrophobicContact CD1-CG 3.72Å; L190-F260 HydrophobicContact CD2-CD1 3.88Å; L190-F260 HydrophobicContact CD2-CD2 4.48Å; L190-F260 HydrophobicContact CD2-CE1 3.78Å; L190-F260 HydrophobicContact CD2-CE2 4.39Å; L190-F260 HydrophobicContact CD2-CG 4.25Å; L190-F260 HydrophobicContact CD2-CZ 4.06Å
191	D	96.1	Very high	92.3	Very high	25 Å²	25	31.3 Å²	31.3	13%	0.134	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	116.2	-178.2	-170.5	13	0	0	0	108.1	V56 R57 C58 R238 I239 Y240	V56-D191 PolarHBondContact O-N 2.82Å; R57-D191 CarbonylContact C-O 3.45Å; R57-D191 VanDerWaalsContact CA-O 3.27Å; R57-D191 WeakPolarHBondContact CA-O 3.47Å; C58-D191 PolarHBondContact N-O 3.44Å; D191-R238 IonicContact OD1-CZ 3.36Å; D191-R238 IonicContact OD1-NE 3.8Å; D191-R238 PolarHBondContact OD1-NE 2.96Å; D191-R238 IonicContact OD1-NH2 3.97Å; D191-R238 PolarHBondContact OD1-NH2 2.85Å; D191-R238 IonicContact OD2-CZ 2.68Å; D191-R238 IonicContact OD2-NE 3.23Å; D191-R238 IonicContact OD2-NH2 3.93Å; D191-R238 PolarHBondContact OD2-NH2 2.85Å; D191-I239 WeakPolarHBondContact CA-O 3.49Å; D191-Y240 HydrophobicContact CB-CD2 4.07Å
192	V	96.4	Very high	92.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.1	-174.1	-176.6	0	0	0	0	109.1	C58 L175 L177 L190 I194 R238 I239 I262	C58-V192 HydrophobicContact CB-CB 4.47Å; C58-V192 HydrophobicContact CB-CG1 4.09Å; C58-V192 HydrophobicContact CB-CG2 4.07Å; C58-V192 CarbonylContact O-C 3.37Å; C58-V192 VanDerWaalsContact O-CA 3.23Å; C58-V192 WeakPolarHBondContact O-CA 3.45Å; L175-V192 HydrophobicContact CD2-CG1 3.81Å; L177-V192 HydrophobicContact CD1-CG2 3.57Å; L190-V192 HydrophobicContact CD2-CG2 3.68Å; L190-V192 HydrophobicContact CG-CG2 4.11Å; V192-I194 HydrophobicContact CG1-CD1 4.4Å; V192-I194 HydrophobicContact CG1-CG1 4.02Å; V192-R238 CarbonylContact O-C 3.59Å; V192-R238 VanDerWaalsContact O-CA 3.24Å; V192-R238 WeakPolarHBondContact O-CA 3.39Å; V192-R238 WeakPolarHBondContact O-CG 3.21Å; V192-I239 HydrophobicContact CB-CB 4.23Å; V192-I239 HydrophobicContact CB-CD1 4.23Å; V192-I239 HydrophobicContact CG1-CD1 4.29Å; V192-I239 PolarHBondContact N-O 2.82Å; V192-I239 PolarHBondContact O-N 2.82Å; V192-I262 HydrophobicContact CB-CD1 4.09Å; V192-I262 HydrophobicContact CG1-CD1 3.97Å; V192-I262 HydrophobicContact CG2-CD1 3.97Å
193	S	94.1	Very high	92.9	Very high	19 Å²	19	33 Å²	33	13%	0.133	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121	174.8	-174.6	0	0	0	0	109.1	C58 S59 V60	C58-S193 PolarHBondContact O-N 3.23Å; S59-S193 CarbonylContact C-O 3.55Å; S59-S193 WeakPolarHBondContact CA-O 3.25Å; V60-S193 PolarHBondContact N-O 2.93Å
194	I	93.8	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.4	179.2	-57.8	179.9	0	0	0	108.3	V60 V192 E196 I200 I203 C236 A237 I239 I262 Y264	V60-I194 HydrophobicContact CB-CB 4.39Å; V60-I194 HydrophobicContact CB-CG1 4.09Å; V60-I194 HydrophobicContact CB-CG2 4.29Å; V60-I194 HydrophobicContact CG2-CG1 3.99Å; V192-I194 HydrophobicContact CG1-CD1 4.4Å; V192-I194 HydrophobicContact CG1-CG1 4.02Å; I194-E196 HydrophobicContact CG2-CG 4.24Å; I194-I200 HydrophobicContact CG2-CD1 4.2Å; I194-I203 HydrophobicContact CD1-CD1 3.85Å; I194-C236 CarbonylContact O-C 3.59Å; I194-C236 VanDerWaalsContact O-CA 3.24Å; I194-C236 WeakPolarHBondContact O-CA 3.42Å; I194-C236 PolarHBondContact O-SG 3.28Å; I194-C236 VanDerWaalsContact O-SG 3.39Å; I194-A237 PolarHBondContact N-O 2.65Å; I194-A237 PolarHBondContact O-N 3.14Å; I194-I239 HydrophobicContact CD1-CD1 4.25Å; I194-I239 HydrophobicContact CG1-CD1 4.5Å; I194-I262 HydrophobicContact CD1-CG2 4.15Å; I194-Y264 HydrophobicContact CD1-CD1 4.03Å; I194-Y264 HydrophobicContact CD1-CE1 4.1Å; I194-Y264 HydrophobicContact CG2-CD2 4.49Å; I194-Y264 HydrophobicContact CG2-CE1 4.39Å; I194-Y264 HydrophobicContact CG2-CE2 4.07Å
195	H	91.4	Very high	93.1	Very high	44 Å²	44	32.6 Å²	32.6	20%	0.204	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.7	177.3	-178.5	48.8	0	0	0	111	V60 A61 S62 N235	V60-H195 PolarHBondContact O-N 3.2Å; A61-H195 WeakPolarHBondContact CA-O 3.44Å; S62-H195 PolarHBondContact N-O 3.06Å; H195-N235 WeakPolarHBondContact CA-O 3.42Å; H195-N235 PolarHBondContact ND1-O 3.36Å
196	E	90.9	Very high	92.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.			trans	-132.4	123.7	-174.4	-72.8	-66.5	157.6	0	0	110.5	S62 R63 I194 T198 G199 I200 N235 Y264 V266	S62-E196 WeakPolarHBondContact CA-OE1 3.28Å; S62-E196 WeakPolarHBondContact CA-OE2 3.44Å; R63-E196 WeakPolarHBondContact CD-OE2 3.36Å; R63-E196 IonicContact CZ-OE2 3.87Å; R63-E196 PolarHBondContact N-OE1 2.75Å; R63-E196 IonicContact NE-OE2 3.38Å; R63-E196 IonicContact NH1-OE2 2.68Å; R63-E196 PolarHBondContact NH1-OE2 3.45Å; I194-E196 HydrophobicContact CG2-CG 4.24Å; E196-T198 VanDerWaalsContact C-N 3.31Å; E196-T198 PolarHBondContact O-N 3.47Å; E196-G199 PolarHBondContact O-N 2.7Å; E196-I200 HydrophobicContact CB-CG1 4Å; E196-I200 HydrophobicContact CG-CG1 4.2Å; E196-N235 PolarHBondContact N-O 2.92Å; E196-N235 VanDerWaalsContact N-O 3.16Å; E196-N235 WeakPolarHBondContact O-CB 3.36Å; E196-N235 PolarHBondContact O-ND2 3.22Å; E196-Y264 HydrophobicContact CG-CE2 4.01Å; E196-Y264 PolarHBondContact OE1-OH 3.29Å; E196-V266 HydrophobicContact CB-CG1 4.02Å; E196-V266 HydrophobicContact CG-CG1 3.62Å; E196-V266 WeakPolarHBondContact OE2-CG1 3.36Å
197	R	86.6	Confident	92.9	Very high	104 Å²	104	28.1 Å²	28.1	39%	0.392	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-37.3	-173.6	-169.1	179.5	77.9	149.6	-0	113.1	N235 D274 V275	R197-N235 PolarHBondContact O-ND2 2.93Å; R197-D274 IonicContact CZ-OD1 3.65Å; R197-D274 IonicContact NE-OD1 2.7Å; R197-D274 PolarHBondContact NE-OD1 3.3Å; R197-D274 IonicContact NH2-OD1 3.63Å; R197-D274 PolarHBondContact NH2-OD1 3.16Å; R197-V275 PolarHBondContact NH1-O 2.86Å; R197-V275 PolarHBondContact NH2-O 2.93Å
198	T	88.3	Confident	92.6	Very high	34 Å²	34	27 Å²	27	21%	0.209	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-17	-175.4	60	0	0	0	0	114.1	E196 E267 K269 D274	E196-T198 VanDerWaalsContact C-N 3.31Å; E196-T198 PolarHBondContact O-N 3.47Å; T198-E267 WeakPolarHBondContact CB-O 3.35Å; T198-E267 VanDerWaalsContact O-CB 3.3Å; T198-E267 WeakPolarHBondContact O-CB 3.21Å; T198-E267 PolarHBondContact OG1-O 2.94Å; T198-K269 PolarHBondContact O-NZ 2.91Å; T198-D274 HydrophobicContact CG2-CB 3.96Å; T198-D274 VanDerWaalsContact CG2-CG 3.45Å
199	G	91.8	Very high	92	Very high	4 Å²	4	29.1 Å²	29.1	4%	0.041	15%	0.146	C	C	.	.			trans	110.6	155.3	-173.5	0	0	0	0	0	113.4	E196 D234 N235 V266 E267	E196-G199 PolarHBondContact O-N 2.7Å; G199-D234 CarbonylContact C-O 3.58Å; G199-D234 VanDerWaalsContact CA-O 3.27Å; G199-D234 WeakPolarHBondContact CA-O 3.16Å; G199-N235 WeakPolarHBondContact CA-OD1 3.39Å; G199-V266 CarbonylContact O-C 3.59Å; G199-V266 WeakPolarHBondContact O-CA 3.23Å; G199-E267 PolarHBondContact O-N 2.93Å
200	I	94.4	Very high	90.9	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107	177.9	-57.6	174.8	0	0	0	108.5	I194 E196 F202 I203 D234 A237	I194-I200 HydrophobicContact CG2-CD1 4.2Å; E196-I200 HydrophobicContact CB-CG1 4Å; E196-I200 HydrophobicContact CG-CG1 4.2Å; I200-F202 WeakPolarHBondContact CG2-O 3.07Å; I200-I203 HydrophobicContact CG2-CB 4.28Å; I200-D234 PolarHBondContact N-O 3.19Å; I200-A237 HydrophobicContact CD1-CB 3.88Å
201	S	93.8	Very high	89.3	Confident	43 Å²	43	34.9 Å²	34.9	30%	0.301	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-35.5	-176.5	69.3	0	0	0	0	113.3	D265 V266 E267	S201-D265 WeakPolarHBondContact CB-O 2.99Å; S201-D265 PolarHBondContact N-O 2.87Å; S201-D265 PolarHBondContact OG-O 3.38Å; S201-V266 PolarHBondContact OG-O 3.41Å; S201-E267 WeakPolarHBondContact CA-OE1 3.42Å; S201-E267 WeakPolarHBondContact CB-OE1 3.23Å
202	F	94.3	Very high	87.2	Confident	85 Å²	85	39 Å²	39	37%	0.373	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	158.2	169.2	77	-95	0	0	0	110.7	R172 I200 Y264 D265	R172-F202 HydrophobicContact CB-CZ 3.87Å; I200-F202 WeakPolarHBondContact CG2-O 3.07Å; F202-Y264 VanDerWaalsContact O-CA 3.27Å; F202-Y264 WeakPolarHBondContact O-CA 3.28Å; F202-Y264 VanDerWaalsContact O-CB 3.25Å; F202-Y264 WeakPolarHBondContact O-CB 3.11Å; F202-D265 HydrophobicContact CD1-CB 3.87Å; F202-D265 HydrophobicContact CE1-CB 3.33Å; F202-D265 HydrophobicContact CZ-CB 3.99Å; F202-D265 PolarHBondContact N-O 3.02Å; F202-D265 PolarHBondContact O-N 3.24Å
203	I	93.9	Very high	84.6	Confident	25 Å²	25	42.4 Å²	42.4	13%	0.128	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.6	168.1	-173.8	165.7	0	0	0	111.1	I194 I200 V230 Q232 A237 I239 I262 Q263	I194-I203 HydrophobicContact CD1-CD1 3.85Å; I200-I203 HydrophobicContact CG2-CB 4.28Å; I203-V230 HydrophobicContact CG2-CG1 4.39Å; I203-Q232 HydrophobicContact CG2-CG 4.41Å; I203-A237 HydrophobicContact CD1-CB 3.69Å; I203-A237 HydrophobicContact CG2-CB 4.35Å; I203-I239 HydrophobicContact CD1-CD1 3.74Å; I203-I239 HydrophobicContact CD1-CG1 4.32Å; I203-I262 HydrophobicContact CD1-CG2 3.92Å; I203-I262 HydrophobicContact CG1-CG2 3.91Å; I203-Q263 CarbonylContact C-O 3.26Å; I203-Q263 WeakPolarHBondContact CA-O 3.33Å
204	K	92.3	Very high	82.2	Confident	71 Å²	71	46.3 Å²	46.3	31%	0.309	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	127.3	176.5	-174.6	169.4	-177.3	162.8	0	111.5	L206 G220 Q263	K204-L206 HydrophobicContact CD-CD2 4.13Å; K204-L206 HydrophobicContact CG-CD2 4.16Å; K204-G220 PolarHBondContact NZ-O 3.44Å; K204-Q263 PolarHBondContact N-O 2.73Å; K204-Q263 PolarHBondContact O-N 3.39Å
205	A	92.3	Very high	79.9	Confident	5 Å²	5	48.2 Å²	48.2	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.1	163.1	0	0	0	0	0	109.7	P224 T228 F260	A205-P224 HydrophobicContact CB-CB 4.13Å; A205-T228 HydrophobicContact CB-CG2 4.4Å; A205-F260 HydrophobicContact CB-CE1 4.23Å; A205-F260 HydrophobicContact CB-CZ 4.18Å
206	L	90.2	Very high	77.6	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.052	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-91.6	162.2	177.7	-58.6	-174	0	0	0	111.3	K204 N216 P225 I261 Q263	K204-L206 HydrophobicContact CD-CD2 4.13Å; K204-L206 HydrophobicContact CG-CD2 4.16Å; L206-N216 HydrophobicContact CD1-CB 4.02Å; L206-N216 WeakPolarHBondContact CD1-ND2 3.3Å; L206-P225 VanDerWaalsContact O-CD 3.28Å; L206-P225 WeakPolarHBondContact O-CD 3.49Å; L206-P225 WeakPolarHBondContact O-CG 3.08Å; L206-I261 HydrophobicContact CB-CB 4.33Å; L206-I261 HydrophobicContact CD1-CB 4.39Å; L206-I261 HydrophobicContact CD1-CG2 3.96Å; L206-I261 HydrophobicContact CG-CG2 4.45Å; L206-I261 PolarHBondContact N-O 3.2Å; L206-Q263 HydrophobicContact CD1-CG 4.25Å
207	P	87.9	Confident	75.4	Confident	32 Å²	32	52.5 Å²	52.5	21%	0.208	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-55	154.4	170	-22	30.9	0	0	0	112.7	K209 S222	P207-K209 PolarHBondContact O-N 2.94Å; P207-K209 VanDerWaalsContact O-N 3.13Å; P207-S222 VanDerWaalsContact CD-OG 3.28Å; P207-S222 WeakPolarHBondContact CD-OG 3.49Å; P207-S222 WeakPolarHBondContact CG-OG 3.27Å
208	L	87	Confident	73.2	Confident	37 Å²	37	52 Å²	52	19%	0.194	30%	0.298	C	S	.	.			trans	-57.6	114.9	175.5	-69.8	-180	0	0	0	111	L179 T210 P225 L256 A258 D259 F260	L179-L208 HydrophobicContact CD1-CD2 4.24Å; L208-T210 PolarHBondContact O-N 2.84Å; L208-P225 HydrophobicContact CD2-CG 4.17Å; L208-P225 HydrophobicContact CG-CB 4.09Å; L208-P225 HydrophobicContact CG-CG 3.93Å; L208-L256 HydrophobicContact CD1-CD2 4.38Å; L208-A258 HydrophobicContact CB-CB 3.84Å; L208-A258 HydrophobicContact CD2-CB 4.44Å; L208-D259 WeakPolarHBondContact CA-O 3.37Å; L208-F260 HydrophobicContact CD2-CB 4.18Å; L208-F260 HydrophobicContact CD2-CD2 3.85Å; L208-F260 HydrophobicContact CD2-CG 4.46Å
209	K	82.8	Confident	71.4	Confident	44 Å²	44	54.3 Å²	54.3	19%	0.191	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-80	102.3	177.2	178.1	172.4	173.1	163.2	0	109.5	P207 S211 R212 L214 A258 D259 I261	P207-K209 PolarHBondContact O-N 2.94Å; P207-K209 VanDerWaalsContact O-N 3.13Å; K209-S211 WeakPolarHBondContact CE-O 3.41Å; K209-S211 WeakPolarHBondContact CG-O 3.45Å; K209-R212 VanDerWaalsContact CE-O 3.22Å; K209-R212 WeakPolarHBondContact CE-O 3.28Å; K209-R212 PolarHBondContact NZ-O 2.94Å; K209-L214 WeakPolarHBondContact CE-O 3.02Å; K209-L214 PolarHBondContact NZ-O 2.89Å; K209-A258 CarbonylContact O-C 3.52Å; K209-A258 VanDerWaalsContact O-CA 3.22Å; K209-A258 WeakPolarHBondContact O-CA 3.04Å; K209-A258 WeakPolarHBondContact O-CB 3.4Å; K209-D259 HydrophobicContact CB-CB 4.28Å; K209-D259 PolarHBondContact N-O 2.83Å; K209-D259 PolarHBondContact O-N 3.07Å; K209-I261 HydrophobicContact CB-CD1 3.9Å; K209-I261 HydrophobicContact CD-CD1 3.92Å
210	T	74.4	Confident	69.1	Low	94 Å²	94	56.3 Å²	56.3	58%	0.577	33%	0.329	S	S	*	.			trans	-86.9	-5	-176.7	49.5	0	0	0	0	114.6	L208 A258	L208-T210 PolarHBondContact O-N 2.84Å; T210-A258 HydrophobicContact CG2-CB 3.86Å
211	S	62.8	Low	67	Low	45 Å²	45	63.6 Å²	63.6	32%	0.315	37%	0.369	S	S	.	.			trans	-151.4	139.6	-178.4	-176.9	0	0	0	0	111.1	K209 L213 L214	K209-S211 WeakPolarHBondContact CE-O 3.41Å; K209-S211 WeakPolarHBondContact CG-O 3.45Å; S211-L213 VanDerWaalsContact C-N 3.33Å; S211-L213 PolarHBondContact O-N 2.94Å; S211-L214 PolarHBondContact O-N 3.17Å
212	R	52.5	Low	65.5	Low	113 Å²	113	63 Å²	63	43%	0.426	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-43	178.6	-70.8	-171.2	174.9	-153.2	-3.9	111.7	E142 K209 L214	E142-R212 IonicContact OE1-NH1 2.72Å; E142-R212 IonicContact OE2-CZ 3.62Å; E142-R212 IonicContact OE2-NH1 3.75Å; E142-R212 PolarHBondContact OE2-NH1 3.23Å; E142-R212 IonicContact OE2-NH2 3.3Å; E142-R212 PolarHBondContact OE2-NH2 2.92Å; K209-R212 VanDerWaalsContact CE-O 3.22Å; K209-R212 WeakPolarHBondContact CE-O 3.28Å; K209-R212 PolarHBondContact NZ-O 2.94Å; R212-L214 PolarHBondContact O-N 2.66Å
213	L	41.5	Very low	64.6	Low	71 Å²	71	63.4 Å²	63.4	37%	0.372	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-17.7	177.3	-67	164.1	0	0	0	117.3	S211 E468 A469	S211-L213 VanDerWaalsContact C-N 3.33Å; S211-L213 PolarHBondContact O-N 2.94Å; L213-E468 HydrophobicContact CD2-CB 3.69Å; L213-E468 HydrophobicContact CD2-CG 4.07Å; L213-E468 VanDerWaalsContact CD2-OE2 3.24Å; L213-E468 WeakPolarHBondContact CD2-OE2 2.96Å; L213-E468 WeakPolarHBondContact CG-OE2 3.31Å; L213-A469 HydrophobicContact CD2-CB 3.84Å
214	L	43.3	Very low	64.2	Low	100 Å²	100	65.2 Å²	65.2	52%	0.524	39%	0.391	S	S	.	.			trans	-103.8	105.2	-179.4	-66.8	175.9	0	0	0	110.1	K209 S211 R212	K209-L214 WeakPolarHBondContact CE-O 3.02Å; K209-L214 PolarHBondContact NZ-O 2.89Å; S211-L214 PolarHBondContact O-N 3.17Å; R212-L214 PolarHBondContact O-N 2.66Å
215	S	44.4	Very low	63.9	Low	41 Å²	41	62.5 Å²	62.5	29%	0.287	38%	0.381	S	S	.	.			trans	-75.6	128.3	161.1	36.2	0	0	0	0	109.1	S217 L473	S215-S217 PolarHBondContact O-N 2.88Å; S215-S217 PolarHBondContact O-OG 2.9Å; S215-L473 WeakPolarHBondContact OG-CD1 2.9Å
216	N	43.2	Very low	63.6	Low	32 Å²	32	65.6 Å²	65.6	17%	0.171	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-71.1	6.9	-174.7	-76.9	-15.3	0	0	0	114.1	L206 A218 L219	L206-N216 HydrophobicContact CD1-CB 4.02Å; L206-N216 WeakPolarHBondContact CD1-ND2 3.3Å; N216-A218 PolarHBondContact O-N 3.2Å; N216-L219 PolarHBondContact O-N 3Å
217	S	45.4	Very low	63.5	Low	102 Å²	102	67.7 Å²	67.7	71%	0.713	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-59.7	-22	174.5	45.4	0	0	0	0	113.8	S215	S215-S217 PolarHBondContact O-N 2.88Å; S215-S217 PolarHBondContact O-OG 2.9Å
218	A	40.9	Very low	63.8	Low	94 Å²	94	67.4 Å²	67.4	78%	0.777	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-90.4	-2.1	174.4	0	0	0	0	0	114.6	N216	N216-A218 PolarHBondContact O-N 3.2Å
219	L	49.3	Very low	64.2	Low	81 Å²	81	73.8 Å²	73.8	42%	0.424	44%	0.441	S	S	.	.			trans	-122.8	23.7	-170.4	-89.5	159.9	0	0	0	113.2	N216 D221 S222	N216-L219 PolarHBondContact O-N 3Å; L219-D221 VanDerWaalsContact C-N 3.26Å; L219-D221 PolarHBondContact O-N 2.79Å; L219-S222 WeakPolarHBondContact O-CB 3.48Å; L219-S222 PolarHBondContact O-N 2.97Å; L219-S222 PolarHBondContact O-OG 3.14Å
220	G	43.7	Very low	64.6	Low	46 Å²	46	74.9 Å²	74.9	47%	0.474	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-36.2	-169.6	0	0	0	0	0	116.3	K204	K204-G220 PolarHBondContact NZ-O 3.44Å
221	D	50.6	Low	65.4	Low	165 Å²	165	75.2 Å²	75.2	88%	0.882	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	8.5	-175.6	-60.4	-49.1	0	0	0	114.7	L219	L219-D221 VanDerWaalsContact C-N 3.26Å; L219-D221 PolarHBondContact O-N 2.79Å
222	S	62.6	Low	66.6	Low	29 Å²	29	77.6 Å²	77.6	20%	0.203	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-67.9	149.4	177.2	57.5	0	0	0	0	112.9	P207 L219	P207-S222 VanDerWaalsContact CD-OG 3.28Å; P207-S222 WeakPolarHBondContact CD-OG 3.49Å; P207-S222 WeakPolarHBondContact CG-OG 3.27Å; L219-S222 WeakPolarHBondContact O-CB 3.48Å; L219-S222 PolarHBondContact O-N 2.97Å; L219-S222 PolarHBondContact O-OG 3.14Å
223	S	75.8	Confident	68.3	Low	94 Å²	94	73.6 Å²	73.6	66%	0.657	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-75.6	153.4	179.1	49	0	0	0	0	112.3
224	P	84.8	Confident	70.4	Confident	63 Å²	63	76.6 Å²	76.6	41%	0.409	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-63.8	160.9	175	28.6	-36.5	0	0	0	111.6	A205 A226 T228	A205-P224 HydrophobicContact CB-CB 4.13Å; P224-A226 PolarHBondContact O-N 3.05Å; P224-T228 HydrophobicContact CB-CG2 4.41Å
225	P	86.6	Confident	72.6	Confident	15 Å²	15	74.4 Å²	74.4	10%	0.097	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-55.3	139.8	-178.4	-25.4	35	0	0	0	112.4	L206 L208 S227 T228 Y241 F260	L206-P225 VanDerWaalsContact O-CD 3.28Å; L206-P225 WeakPolarHBondContact O-CD 3.49Å; L206-P225 WeakPolarHBondContact O-CG 3.08Å; L208-P225 HydrophobicContact CD2-CG 4.17Å; L208-P225 HydrophobicContact CG-CB 4.09Å; L208-P225 HydrophobicContact CG-CG 3.93Å; P225-S227 PolarHBondContact O-N 2.92Å; P225-T228 WeakPolarHBondContact O-CB 3.16Å; P225-T228 PolarHBondContact O-N 2.75Å; P225-T228 PolarHBondContact O-OG1 2.94Å; P225-Y241 HydrophobicContact CB-CD2 4.27Å; P225-Y241 HydrophobicContact CB-CE2 3.77Å; P225-F260 HydrophobicContact CB-CE2 4.37Å; P225-F260 HydrophobicContact CG-CD2 4.22Å; P225-F260 HydrophobicContact CG-CE2 3.87Å
226	A	85.1	Confident	74.8	Confident	69 Å²	69	72.6 Å²	72.6	57%	0.57	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	137.1	179	0	0	0	0	0	111.3	P224 T228 Y241	P224-A226 PolarHBondContact O-N 3.05Å; A226-T228 VanDerWaalsContact C-N 3.34Å; A226-Y241 WeakPolarHBondContact O-CE2 3.13Å
227	S	89.8	Confident	77.2	Confident	55 Å²	55	71 Å²	71	39%	0.385	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	18.5	-167.7	-52.2	0	0	0	0	116.2	P225 N242 Q247	P225-S227 PolarHBondContact O-N 2.92Å; S227-N242 WeakPolarHBondContact CB-O 3.46Å; S227-N242 PolarHBondContact O-N 3.46Å; S227-Q247 PolarHBondContact OG-NE2 2.85Å; S227-Q247 PolarHBondContact OG-OE1 2.7Å; S227-Q247 VanDerWaalsContact OG-OE1 3.06Å
228	T	94	Very high	79.5	Confident	25 Å²	25	69.5 Å²	69.5	15%	0.153	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.1	160	-51.2	0	0	0	0	110.4	A205 P224 P225 A226 V230 I239 Y240 Y241 F260	A205-T228 HydrophobicContact CB-CG2 4.4Å; P224-T228 HydrophobicContact CB-CG2 4.41Å; P225-T228 WeakPolarHBondContact O-CB 3.16Å; P225-T228 PolarHBondContact O-N 2.75Å; P225-T228 PolarHBondContact O-OG1 2.94Å; A226-T228 VanDerWaalsContact C-N 3.34Å; T228-V230 HydrophobicContact CG2-CG2 4.23Å; T228-I239 HydrophobicContact CG2-CG2 3.86Å; T228-Y240 CarbonylContact C-O 3.48Å; T228-Y240 WeakPolarHBondContact CA-O 3.25Å; T228-Y241 WeakPolarHBondContact OG1-CD2 3.45Å; T228-F260 HydrophobicContact CG2-CE2 4.46Å; T228-F260 HydrophobicContact CG2-CZ 3.88Å
229	R	93.9	Very high	82.2	Confident	172 Å²	172	65 Å²	65	65%	0.649	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.2	164.5	-63.8	-178.4	176.2	-134.2	-3	108.5	I239 Y240	R229-I239 WeakPolarHBondContact O-CA 3.33Å; R229-Y240 PolarHBondContact N-O 3.01Å; R229-Y240 PolarHBondContact O-N 2.87Å
230	V	91.8	Very high	84.4	Confident	67 Å²	67	65.1 Å²	65.1	41%	0.406	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.5	172.6	-178.5	0	0	0	0	107.1	I203 T228 R238 I239	I203-V230 HydrophobicContact CG2-CG1 4.39Å; T228-V230 HydrophobicContact CG2-CG2 4.23Å; V230-R238 WeakPolarHBondContact CA-O 3.2Å; V230-I239 HydrophobicContact CG1-CG1 4.44Å; V230-I239 HydrophobicContact CG2-CG1 4.3Å; V230-I239 HydrophobicContact CG2-CG2 4.19Å
231	E	91.7	Very high	86.9	Confident	100 Å²	100	63.3 Å²	63.3	47%	0.467	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126	175.9	-65.5	174.3	-171.8	0	0	106.9	A237 R238 L562	E231-A237 CarbonylContact O-C 2.87Å; E231-A237 VanDerWaalsContact O-CA 3.28Å; E231-A237 WeakPolarHBondContact O-CA 3.26Å; E231-R238 PolarHBondContact N-O 3.03Å; E231-R238 PolarHBondContact O-N 3.14Å; E231-L562 HydrophobicContact CB-CD2 3.89Å
232	Q	88.2	Confident	89	Confident	95 Å²	95	58.5 Å²	58.5	44%	0.444	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.7	-174.5	-174.5	179.7	-0.7	0	0	111.6	I203 A237	I203-Q232 HydrophobicContact CG2-CG 4.41Å; Q232-A237 HydrophobicContact CB-CB 4.47Å; Q232-A237 HydrophobicContact CG-CB 4.34Å
233	S	86.8	Confident	90.6	Very high	29 Å²	29	57.2 Å²	57.2	20%	0.203	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	167	165.9	55.4	0	0	0	0	108.8	N235 C236	S233-N235 VanDerWaalsContact C-N 3.26Å; S233-N235 PolarHBondContact O-N 2.88Å; S233-N235 VanDerWaalsContact O-N 3.08Å; S233-C236 PolarHBondContact N-O 3.5Å; S233-C236 PolarHBondContact O-N 2.84Å; S233-C236 PolarHBondContact OG-N 2.84Å; S233-C236 PolarHBondContact OG-O 2.81Å
234	D	87.4	Confident	91.4	Very high	135 Å²	135	56.2 Å²	56.2	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.2	-46.3	-172.9	-51.9	-1.2	0	0	0	113.7	G199 I200	G199-D234 CarbonylContact C-O 3.58Å; G199-D234 VanDerWaalsContact CA-O 3.27Å; G199-D234 WeakPolarHBondContact CA-O 3.16Å; I200-D234 PolarHBondContact N-O 3.19Å
235	N	88.6	Confident	91.7	Very high	54 Å²	54	56.9 Å²	56.9	29%	0.289	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	5.5	-176.4	-72.1	32	0	0	0	114	H195 E196 R197 G199 S233	H195-N235 WeakPolarHBondContact CA-O 3.42Å; H195-N235 PolarHBondContact ND1-O 3.36Å; E196-N235 PolarHBondContact N-O 2.92Å; E196-N235 VanDerWaalsContact N-O 3.16Å; E196-N235 WeakPolarHBondContact O-CB 3.36Å; E196-N235 PolarHBondContact O-ND2 3.22Å; R197-N235 PolarHBondContact O-ND2 2.93Å; G199-N235 WeakPolarHBondContact CA-OD1 3.39Å; S233-N235 VanDerWaalsContact C-N 3.26Å; S233-N235 PolarHBondContact O-N 2.88Å; S233-N235 VanDerWaalsContact O-N 3.08Å
236	C	91	Very high	91.9	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	138.3	175.6	-174.1	0	0	0	0	113.1	I194 S233 C564	I194-C236 CarbonylContact O-C 3.59Å; I194-C236 VanDerWaalsContact O-CA 3.24Å; I194-C236 WeakPolarHBondContact O-CA 3.42Å; I194-C236 PolarHBondContact O-SG 3.28Å; I194-C236 VanDerWaalsContact O-SG 3.39Å; S233-C236 PolarHBondContact N-O 3.5Å; S233-C236 PolarHBondContact O-N 2.84Å; S233-C236 PolarHBondContact OG-N 2.84Å; S233-C236 PolarHBondContact OG-O 2.81Å; C236-C564 HydrophobicContact CB-CB 3.99Å; C236-C564 WeakPolarHBondContact CB-SG 3.48Å; C236-C564 WeakPolarHBondContact SG-CB 3.47Å; C236-C564 CovalentContact SG-SG 2.04Å; C236-C564 PolarHBondContact SG-SG 3.05Å
237	A	93.5	Very high	92.2	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.8	168.7	0	0	0	0	0	111.6	I194 I200 I203 E231 Q232	I194-A237 PolarHBondContact N-O 2.65Å; I194-A237 PolarHBondContact O-N 3.14Å; I200-A237 HydrophobicContact CD1-CB 3.88Å; I203-A237 HydrophobicContact CD1-CB 3.69Å; I203-A237 HydrophobicContact CG2-CB 4.35Å; E231-A237 CarbonylContact O-C 2.87Å; E231-A237 VanDerWaalsContact O-CA 3.28Å; E231-A237 WeakPolarHBondContact O-CA 3.26Å; Q232-A237 HydrophobicContact CB-CB 4.47Å; Q232-A237 HydrophobicContact CG-CB 4.34Å
238	R	94.5	Very high	92.2	Very high	69 Å²	69	60.4 Å²	60.4	26%	0.26	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.8	172.5	-161.9	-179.9	-168.5	131.8	1.1	110.9	D191 V192 V230 E231 N563	D191-R238 IonicContact OD1-CZ 3.36Å; D191-R238 IonicContact OD1-NE 3.8Å; D191-R238 PolarHBondContact OD1-NE 2.96Å; D191-R238 IonicContact OD1-NH2 3.97Å; D191-R238 PolarHBondContact OD1-NH2 2.85Å; D191-R238 IonicContact OD2-CZ 2.68Å; D191-R238 IonicContact OD2-NE 3.23Å; D191-R238 IonicContact OD2-NH2 3.93Å; D191-R238 PolarHBondContact OD2-NH2 2.85Å; V192-R238 CarbonylContact O-C 3.59Å; V192-R238 VanDerWaalsContact O-CA 3.24Å; V192-R238 WeakPolarHBondContact O-CA 3.39Å; V192-R238 WeakPolarHBondContact O-CG 3.21Å; V230-R238 WeakPolarHBondContact CA-O 3.2Å; E231-R238 PolarHBondContact N-O 3.03Å; E231-R238 PolarHBondContact O-N 3.14Å; R238-N563 PolarHBondContact NH1-O 3.29Å
239	I	95.7	Very high	92	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.7	179.8	-51.3	75.7	0	0	0	108.2	D191 V192 I194 I203 T228 R229 V230 F260 I262	D191-I239 WeakPolarHBondContact CA-O 3.49Å; V192-I239 HydrophobicContact CB-CB 4.23Å; V192-I239 HydrophobicContact CB-CD1 4.23Å; V192-I239 HydrophobicContact CG1-CD1 4.29Å; V192-I239 PolarHBondContact N-O 2.82Å; V192-I239 PolarHBondContact O-N 2.82Å; I194-I239 HydrophobicContact CD1-CD1 4.25Å; I194-I239 HydrophobicContact CG1-CD1 4.5Å; I203-I239 HydrophobicContact CD1-CD1 3.74Å; I203-I239 HydrophobicContact CD1-CG1 4.32Å; T228-I239 HydrophobicContact CG2-CG2 3.86Å; R229-I239 WeakPolarHBondContact O-CA 3.33Å; V230-I239 HydrophobicContact CG1-CG1 4.44Å; V230-I239 HydrophobicContact CG2-CG1 4.3Å; V230-I239 HydrophobicContact CG2-CG2 4.19Å; I239-F260 HydrophobicContact CG2-CE1 4.02Å; I239-F260 HydrophobicContact CG2-CZ 3.99Å; I239-I262 HydrophobicContact CB-CD1 4.11Å; I239-I262 HydrophobicContact CD1-CD1 4.09Å; I239-I262 HydrophobicContact CG1-CD1 3.91Å; I239-I262 HydrophobicContact CG2-CD1 4.27Å
240	Y	95.9	Very high	91.6	Very high	82 Å²	82	59 Å²	59	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.7	179.8	-176	-98.4	0	0	0	110.8	T189 L190 D191 T228 R229 N242	T189-Y240 HydrophobicContact CG2-CE2 4.41Å; T189-Y240 WeakPolarHBondContact CG2-OH 3.28Å; L190-Y240 CarbonylContact O-C 3.59Å; L190-Y240 WeakPolarHBondContact O-CA 3.27Å; D191-Y240 HydrophobicContact CB-CD2 4.07Å; T228-Y240 CarbonylContact C-O 3.48Å; T228-Y240 WeakPolarHBondContact CA-O 3.25Å; R229-Y240 PolarHBondContact N-O 3.01Å; R229-Y240 PolarHBondContact O-N 2.87Å; Y240-N242 HydrophobicContact CD1-CB 4.35Å; Y240-N242 HydrophobicContact CE1-CB 3.5Å; Y240-N242 PolarHBondContact OH-ND2 3.24Å
241	Y	96.3	Very high	91.1	Very high	8 Å²	8	58.6 Å²	58.6	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120	-179.2	171.6	-109.7	0	0	0	110.5	L179 T189 L190 P225 A226 T228 P243 L256 F260	L179-Y241 HydrophobicContact CD1-CD1 4.17Å; L179-Y241 HydrophobicContact CD1-CE1 3.72Å; T189-Y241 CarbonylContact C-O 3.59Å; T189-Y241 WeakPolarHBondContact CA-O 3.41Å; L190-Y241 HydrophobicContact CB-CD1 4.22Å; L190-Y241 PolarHBondContact N-O 2.86Å; L190-Y241 PolarHBondContact O-N 2.93Å; P225-Y241 HydrophobicContact CB-CD2 4.27Å; P225-Y241 HydrophobicContact CB-CE2 3.77Å; A226-Y241 WeakPolarHBondContact O-CE2 3.13Å; T228-Y241 WeakPolarHBondContact OG1-CD2 3.45Å; Y241-P243 HydrophobicContact CD1-CG 4.36Å; Y241-P243 HydrophobicContact CE1-CB 4.26Å; Y241-P243 HydrophobicContact CE1-CG 3.59Å; Y241-P243 HydrophobicContact CE2-CB 4.1Å; Y241-P243 HydrophobicContact CE2-CG 4.3Å; Y241-P243 WeakPolarHBondContact OH-CB 3.21Å; Y241-P243 WeakPolarHBondContact OH-CG 3.19Å; Y241-L256 HydrophobicContact CE1-CD1 4.26Å; Y241-F260 AromaticContact CD1-CD2 3.99Å; Y241-F260 HydrophobicContact CD1-CD2 3.99Å; Y241-F260 HydrophobicContact CD1-CE2 4Å; Y241-F260 AromaticContact CD2-CE2 3.86Å; Y241-F260 HydrophobicContact CD2-CE2 3.86Å; Y241-F260 HydrophobicContact CE1-CD2 4.36Å; Y241-F260 HydrophobicContact CE2-CE2 4.48Å; Y241-F260 HydrophobicContact CG-CD2 4.07Å; Y241-F260 AromaticContact CG-CE2 3.59Å; Y241-F260 HydrophobicContact CG-CE2 3.59Å; Y241-F260 HydrophobicContact CG-CZ 4.47Å
242	N	95.5	Very high	90.8	Very high	64 Å²	64	55.2 Å²	55.2	34%	0.342	30%	0.3	S	S	.	.			trans	-138.7	88.1	-178	-176.6	-18.9	0	0	0	110.1	L188 S227 Y240	L188-N242 PolarHBondContact O-OD1 3.36Å; S227-N242 WeakPolarHBondContact CB-O 3.46Å; S227-N242 PolarHBondContact O-N 3.46Å; Y240-N242 HydrophobicContact CD1-CB 4.35Å; Y240-N242 HydrophobicContact CE1-CB 3.5Å; Y240-N242 PolarHBondContact OH-ND2 3.24Å
243	P	95	Very high	90.5	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.013	31%	0.312	C	S	.	.			trans	-82.7	128.8	-176.8	33.2	-35.1	0	0	0	111.7	L188 Y241 Q247 Q248 L256	L188-P243 HydrophobicContact CB-CG 4.45Å; L188-P243 HydrophobicContact CD1-CG 4.11Å; L188-P243 HydrophobicContact CD2-CG 4.05Å; L188-P243 HydrophobicContact CG-CG 4.43Å; Y241-P243 HydrophobicContact CD1-CG 4.36Å; Y241-P243 HydrophobicContact CE1-CB 4.26Å; Y241-P243 HydrophobicContact CE1-CG 3.59Å; Y241-P243 HydrophobicContact CE2-CB 4.1Å; Y241-P243 HydrophobicContact CE2-CG 4.3Å; Y241-P243 WeakPolarHBondContact OH-CB 3.21Å; Y241-P243 WeakPolarHBondContact OH-CG 3.19Å; P243-Q247 HydrophobicContact CB-CB 4.34Å; P243-Q248 HydrophobicContact CB-CG 4Å; P243-Q248 HydrophobicContact CG-CG 3.91Å; P243-Q248 PolarHBondContact O-NE2 3.15Å; P243-L256 HydrophobicContact CG-CD1 4.16Å
244	T	93.4	Very high	90.4	Very high	73 Å²	73	62.5 Å²	62.5	45%	0.448	34%	0.337	S	S	.	.			trans	-59.7	155.1	171.7	62.3	0	0	0	0	111.7	Q246 Q247 Q248	T244-Q246 PolarHBondContact O-N 3.45Å; T244-Q246 VanDerWaalsContact O-N 3.1Å; T244-Q247 PolarHBondContact O-N 2.77Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.3Å; T244-Q247 PolarHBondContact OG1-N 2.92Å; T244-Q247 PolarHBondContact OG1-OE1 3.21Å; T244-Q248 WeakPolarHBondContact O-CG 3.41Å; T244-Q248 PolarHBondContact O-N 3.29Å
245	L	91.8	Very high	90.3	Very high	77 Å²	77	56.1 Å²	56.1	40%	0.403	30%	0.303	S	S	.	.	H	α-helix	trans	-52.9	-32.5	174.4	-76.8	171.2	0	0	0	113.1	P184 V185 Q186 T249	P184-L245 HydrophobicContact CB-CD2 3.8Å; V185-L245 WeakPolarHBondContact O-CD2 3.45Å; Q186-L245 HydrophobicContact CG-CD1 4.47Å; L245-T249 VanDerWaalsContact O-CB 3.29Å; L245-T249 WeakPolarHBondContact O-CB 3.46Å; L245-T249 PolarHBondContact O-N 2.91Å; L245-T249 PolarHBondContact O-OG1 2.89Å
246	Q	90.9	Very high	90.3	Very high	155 Å²	155	53.7 Å²	53.7	72%	0.724	29%	0.29	S	S	*	.	H	α-helix	trans	-65.9	-50.7	174.3	-174.8	176	-2.7	0	0	111.3	T244 Q248 T249 S250	T244-Q246 PolarHBondContact O-N 3.45Å; T244-Q246 VanDerWaalsContact O-N 3.1Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-Q248 PolarHBondContact O-N 3.37Å; Q246-T249 PolarHBondContact O-N 2.89Å; Q246-S250 WeakPolarHBondContact O-CB 3.27Å; Q246-S250 PolarHBondContact O-N 3.12Å; Q246-S250 PolarHBondContact O-OG 2.7Å
247	Q	89.6	Confident	90.2	Very high	58 Å²	58	58.4 Å²	58.4	27%	0.271	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-42	177.7	-70.5	162.7	-55.8	0	0	112	S227 P243 T244 S250 A251	S227-Q247 PolarHBondContact OG-NE2 2.85Å; S227-Q247 PolarHBondContact OG-OE1 2.7Å; S227-Q247 VanDerWaalsContact OG-OE1 3.06Å; P243-Q247 HydrophobicContact CB-CB 4.34Å; T244-Q247 PolarHBondContact O-N 2.77Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.3Å; T244-Q247 PolarHBondContact OG1-N 2.92Å; T244-Q247 PolarHBondContact OG1-OE1 3.21Å; Q247-S250 PolarHBondContact O-N 2.93Å; Q247-A251 PolarHBondContact O-N 3.06Å; Q247-A251 VanDerWaalsContact O-N 3.08Å
248	Q	91.4	Very high	89.9	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-47.1	174	-64.7	176.8	40.6	0	0	111.6	V185 L188 P243 T244 Q246 A251 S252 L256	V185-Q248 PolarHBondContact O-NE2 3.23Å; V185-Q248 PolarHBondContact O-OE1 2.77Å; L188-Q248 HydrophobicContact CD1-CG 4.24Å; P243-Q248 HydrophobicContact CB-CG 4Å; P243-Q248 HydrophobicContact CG-CG 3.91Å; P243-Q248 PolarHBondContact O-NE2 3.15Å; T244-Q248 WeakPolarHBondContact O-CG 3.41Å; T244-Q248 PolarHBondContact O-N 3.29Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-Q248 PolarHBondContact O-N 3.37Å; Q248-A251 PolarHBondContact O-N 3.29Å; Q248-S252 PolarHBondContact O-N 2.67Å; Q248-S252 VanDerWaalsContact O-O 3.08Å; Q248-L256 HydrophobicContact CB-CG 4.47Å; Q248-L256 HydrophobicContact CG-CD1 4.36Å; Q248-L256 HydrophobicContact CG-CG 4.23Å
249	T	88.4	Confident	89.7	Confident	66 Å²	66	56.3 Å²	56.3	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-68.3	-35.4	-178.7	-55.5	0	0	0	0	112.3	L245 Q246 A251 S252	L245-T249 VanDerWaalsContact O-CB 3.29Å; L245-T249 WeakPolarHBondContact O-CB 3.46Å; L245-T249 PolarHBondContact O-N 2.91Å; L245-T249 PolarHBondContact O-OG1 2.89Å; Q246-T249 PolarHBondContact O-N 2.89Å; T249-A251 VanDerWaalsContact C-N 3.35Å; T249-S252 CarbonylContact O-C 3.48Å; T249-S252 VanDerWaalsContact O-C 3.26Å; T249-S252 PolarHBondContact O-N 2.88Å
250	S	85.8	Confident	89.5	Confident	100 Å²	100	56.3 Å²	56.3	70%	0.699	31%	0.31	S	S	*	.	H	α-helix	trans	-66.9	-32.8	173.8	-69.2	0	0	0	0	112.9	Q246 Q247	Q246-S250 WeakPolarHBondContact O-CB 3.27Å; Q246-S250 PolarHBondContact O-N 3.12Å; Q246-S250 PolarHBondContact O-OG 2.7Å; Q247-S250 PolarHBondContact O-N 2.93Å
251	A	82	Confident	89.3	Confident	60 Å²	60	52.5 Å²	52.5	50%	0.496	30%	0.295	S	S	.	.	H	α-helix	trans	-75.4	-39.9	171.5	0	0	0	0	0	111.9	Q247 Q248 T249 L256	Q247-A251 PolarHBondContact O-N 3.06Å; Q247-A251 VanDerWaalsContact O-N 3.08Å; Q248-A251 PolarHBondContact O-N 3.29Å; T249-A251 VanDerWaalsContact C-N 3.35Å; A251-L256 HydrophobicContact CB-CD2 3.8Å
252	S	84.6	Confident	89.3	Confident	29 Å²	29	52.1 Å²	52.1	20%	0.203	29%	0.294	C	S	.	.			trans	-163.3	128.9	175	157.7	0	0	0	0	111.9	Q248 T249 K254 G255	Q248-S252 PolarHBondContact O-N 2.67Å; Q248-S252 VanDerWaalsContact O-O 3.08Å; T249-S252 CarbonylContact O-C 3.48Å; T249-S252 VanDerWaalsContact O-C 3.26Å; T249-S252 PolarHBondContact O-N 2.88Å; S252-K254 PolarHBondContact O-N 3.03Å; S252-K254 VanDerWaalsContact O-N 3.1Å; S252-K254 PolarHBondContact OG-N 3.43Å; S252-K254 VanDerWaalsContact OG-N 3.07Å; S252-G255 WeakPolarHBondContact CB-O 3.49Å; S252-G255 PolarHBondContact O-N 3.43Å; S252-G255 PolarHBondContact OG-N 2.82Å; S252-G255 PolarHBondContact OG-O 2.93Å
253	P	83.3	Confident	89.2	Confident	108 Å²	108	50.1 Å²	50.1	70%	0.701	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.3	174	30.5	-36.1	0	0	0	113.3
254	K	84.5	Confident	89.3	Confident	168 Å²	168	50 Å²	50	73%	0.73	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	15.5	172.5	-60.7	-179.5	-178.3	174.5	0	112.5	G182 Q183 S252	G182-K254 CarbonylContact C-O 3.5Å; G182-K254 VanDerWaalsContact O-O 3.11Å; Q183-K254 WeakPolarHBondContact CA-O 3.28Å; Q183-K254 PolarHBondContact N-O 3.28Å; Q183-K254 VanDerWaalsContact N-O 3.12Å; S252-K254 PolarHBondContact O-N 3.03Å; S252-K254 VanDerWaalsContact O-N 3.1Å; S252-K254 PolarHBondContact OG-N 3.43Å; S252-K254 VanDerWaalsContact OG-N 3.07Å
255	G	85.1	Confident	89.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	26%	0.262	C	S	.	.			trans	79.2	175.4	-173.1	0	0	0	0	0	113.1	S252	S252-G255 WeakPolarHBondContact CB-O 3.49Å; S252-G255 PolarHBondContact O-N 3.43Å; S252-G255 PolarHBondContact OG-N 2.82Å; S252-G255 PolarHBondContact OG-O 2.93Å
256	L	88.6	Confident	89.5	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.242	C	C	.	.			trans	-70.9	134.1	-175.6	-65.1	-174.3	0	0	0	111.4	L179 T181 L188 L208 Y241 P243 Q248 A251	L179-L256 HydrophobicContact CB-CB 4.41Å; L179-L256 HydrophobicContact CD1-CD1 4.17Å; L179-L256 CarbonylContact O-C 3.6Å; T181-L256 PolarHBondContact N-O 2.59Å; T181-L256 PolarHBondContact OG1-N 2.74Å; T181-L256 VanDerWaalsContact OG1-N 3.09Å; L188-L256 HydrophobicContact CD1-CD1 3.83Å; L188-L256 HydrophobicContact CD1-CG 4.38Å; L208-L256 HydrophobicContact CD1-CD2 4.38Å; Y241-L256 HydrophobicContact CE1-CD1 4.26Å; P243-L256 HydrophobicContact CG-CD1 4.16Å; Q248-L256 HydrophobicContact CB-CG 4.47Å; Q248-L256 HydrophobicContact CG-CD1 4.36Å; Q248-L256 HydrophobicContact CG-CG 4.23Å; A251-L256 HydrophobicContact CB-CD2 3.8Å
257	N	88.1	Confident	89.6	Confident	101 Å²	101	38.6 Å²	38.6	54%	0.54	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	75.2	173	-178.3	72.8	0	0	0	107.4	L179 R180	L179-N257 VanDerWaalsContact O-CA 3.31Å; L179-N257 WeakPolarHBondContact O-CA 3.19Å; R180-N257 VanDerWaalsContact CD-OD1 3.28Å; R180-N257 WeakPolarHBondContact CD-OD1 3.5Å
258	A	88.3	Confident	89.5	Confident	3 Å²	3	37 Å²	37	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	156.3	-174.5	0	0	0	0	0	111.6	L179 R180 L208 K209 T210	L179-A258 WeakPolarHBondContact CA-O 3.31Å; L179-A258 WeakPolarHBondContact CB-O 3.49Å; L179-A258 PolarHBondContact N-O 3.13Å; L179-A258 PolarHBondContact O-N 3.03Å; R180-A258 PolarHBondContact NH1-O 3.14Å; L208-A258 HydrophobicContact CB-CB 3.84Å; L208-A258 HydrophobicContact CD2-CB 4.44Å; K209-A258 CarbonylContact O-C 3.52Å; K209-A258 VanDerWaalsContact O-CA 3.22Å; K209-A258 WeakPolarHBondContact O-CA 3.04Å; K209-A258 WeakPolarHBondContact O-CB 3.4Å; T210-A258 HydrophobicContact CG2-CB 3.86Å
259	D	88.9	Confident	88.8	Confident	23 Å²	23	44.6 Å²	44.6	12%	0.123	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.8	173.8	-52.3	-40.2	0	0	0	110.2	R180 L208 K209 I261	R180-D259 IonicContact CZ-OD1 3.25Å; R180-D259 IonicContact NH1-OD1 2.92Å; R180-D259 PolarHBondContact NH1-OD1 3.21Å; R180-D259 IonicContact NH2-OD1 2.69Å; R180-D259 PolarHBondContact NH2-OD1 3.42Å; R180-D259 IonicContact NH2-OD2 3.25Å; L208-D259 WeakPolarHBondContact CA-O 3.37Å; K209-D259 HydrophobicContact CB-CB 4.28Å; K209-D259 PolarHBondContact N-O 2.83Å; K209-D259 PolarHBondContact O-N 3.07Å; D259-I261 HydrophobicContact CB-CD1 4.36Å; D259-I261 HydrophobicContact CB-CG1 4.1Å
260	F	92.6	Very high	88.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112.3	169.8	-169.4	-75.5	0	0	0	107.8	L177 L179 L190 A205 L208 P225 T228 I239 Y241 I262	L177-F260 HydrophobicContact CB-CB 4.47Å; L177-F260 PolarHBondContact N-O 3.48Å; L177-F260 PolarHBondContact O-N 3.35Å; L179-F260 HydrophobicContact CD1-CB 4.17Å; L179-F260 HydrophobicContact CG-CB 4.41Å; L190-F260 HydrophobicContact CD1-CB 3.76Å; L190-F260 HydrophobicContact CD1-CD1 3.89Å; L190-F260 HydrophobicContact CD1-CD2 4.29Å; L190-F260 HydrophobicContact CD1-CG 3.72Å; L190-F260 HydrophobicContact CD2-CD1 3.88Å; L190-F260 HydrophobicContact CD2-CD2 4.48Å; L190-F260 HydrophobicContact CD2-CE1 3.78Å; L190-F260 HydrophobicContact CD2-CE2 4.39Å; L190-F260 HydrophobicContact CD2-CG 4.25Å; L190-F260 HydrophobicContact CD2-CZ 4.06Å; A205-F260 HydrophobicContact CB-CE1 4.23Å; A205-F260 HydrophobicContact CB-CZ 4.18Å; L208-F260 HydrophobicContact CD2-CB 4.18Å; L208-F260 HydrophobicContact CD2-CD2 3.85Å; L208-F260 HydrophobicContact CD2-CG 4.46Å; P225-F260 HydrophobicContact CB-CE2 4.37Å; P225-F260 HydrophobicContact CG-CD2 4.22Å; P225-F260 HydrophobicContact CG-CE2 3.87Å; T228-F260 HydrophobicContact CG2-CE2 4.46Å; T228-F260 HydrophobicContact CG2-CZ 3.88Å; I239-F260 HydrophobicContact CG2-CE1 4.02Å; I239-F260 HydrophobicContact CG2-CZ 3.99Å; Y241-F260 AromaticContact CD1-CD2 3.99Å; Y241-F260 HydrophobicContact CD1-CD2 3.99Å; Y241-F260 HydrophobicContact CD1-CE2 4Å; Y241-F260 AromaticContact CD2-CE2 3.86Å; Y241-F260 HydrophobicContact CD2-CE2 3.86Å; Y241-F260 HydrophobicContact CE1-CD2 4.36Å; Y241-F260 HydrophobicContact CE2-CE2 4.48Å; Y241-F260 HydrophobicContact CG-CD2 4.07Å; Y241-F260 AromaticContact CG-CE2 3.59Å; Y241-F260 HydrophobicContact CG-CE2 3.59Å; Y241-F260 HydrophobicContact CG-CZ 4.47Å; F260-I262 HydrophobicContact CD1-CD1 4.36Å; F260-I262 HydrophobicContact CD1-CG1 4.12Å; F260-I262 HydrophobicContact CE1-CD1 3.99Å; F260-I262 HydrophobicContact CE1-CG1 3.78Å
261	I	92.4	Very high	88.1	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.3	-169.8	-58.3	174.2	0	0	0	110.2	E174 L175 L206 K209 D259	E174-I261 HydrophobicContact CG-CG2 3.47Å; E174-I261 VanDerWaalsContact CG-CG2 3.47Å; L175-I261 WeakPolarHBondContact O-CA 3.45Å; L206-I261 HydrophobicContact CB-CB 4.33Å; L206-I261 HydrophobicContact CD1-CB 4.39Å; L206-I261 HydrophobicContact CD1-CG2 3.96Å; L206-I261 HydrophobicContact CG-CG2 4.45Å; L206-I261 PolarHBondContact N-O 3.2Å; K209-I261 HydrophobicContact CB-CD1 3.9Å; K209-I261 HydrophobicContact CD-CD1 3.92Å; D259-I261 HydrophobicContact CB-CD1 4.36Å; D259-I261 HydrophobicContact CB-CG1 4.1Å
262	I	94.7	Very high	88.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.5	173.7	-61.5	165.9	0	0	0	108.1	E174 L175 V192 I194 I203 I239 F260	E174-I262 WeakPolarHBondContact CA-O 3.23Å; L175-I262 HydrophobicContact CB-CB 4.43Å; L175-I262 HydrophobicContact CD2-CD1 4.31Å; L175-I262 PolarHBondContact N-O 2.8Å; L175-I262 PolarHBondContact O-N 2.96Å; V192-I262 HydrophobicContact CB-CD1 4.09Å; V192-I262 HydrophobicContact CG1-CD1 3.97Å; V192-I262 HydrophobicContact CG2-CD1 3.97Å; I194-I262 HydrophobicContact CD1-CG2 4.15Å; I203-I262 HydrophobicContact CD1-CG2 3.92Å; I203-I262 HydrophobicContact CG1-CG2 3.91Å; I239-I262 HydrophobicContact CB-CD1 4.11Å; I239-I262 HydrophobicContact CD1-CD1 4.09Å; I239-I262 HydrophobicContact CG1-CD1 3.91Å; I239-I262 HydrophobicContact CG2-CD1 4.27Å; F260-I262 HydrophobicContact CD1-CD1 4.36Å; F260-I262 HydrophobicContact CD1-CG1 4.12Å; F260-I262 HydrophobicContact CE1-CD1 3.99Å; F260-I262 HydrophobicContact CE1-CG1 3.78Å
263	Q	94.9	Very high	88.4	Confident	21 Å²	21	43 Å²	43	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135	170.6	-73	179.9	-5.5	0	0	109.8	R172 Y173 E174 I203 K204 L206	R172-Q263 VanDerWaalsContact CZ-NE2 3.29Å; R172-Q263 VanDerWaalsContact NE-CD 3.34Å; R172-Q263 VanDerWaalsContact NE-NE2 3.19Å; Y173-Q263 WeakPolarHBondContact O-CA 3.27Å; E174-Q263 HydrophobicContact CB-CG 4.36Å; E174-Q263 HydrophobicContact CG-CG 4.05Å; E174-Q263 PolarHBondContact OE2-NE2 2.87Å; I203-Q263 CarbonylContact C-O 3.26Å; I203-Q263 WeakPolarHBondContact CA-O 3.33Å; K204-Q263 PolarHBondContact N-O 2.73Å; K204-Q263 PolarHBondContact O-N 3.39Å; L206-Q263 HydrophobicContact CD1-CG 4.25Å
264	Y	95.7	Very high	88.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	164.5	174.3	77.7	-84.1	0	0	0	110.9	L166 R172 Y173 I194 E196 F202 V266	L166-Y264 HydrophobicContact CD1-CE1 3.86Å; R172-Y264 CarbonylContact C-O 3.56Å; R172-Y264 WeakPolarHBondContact CA-O 3.33Å; Y173-Y264 HydrophobicContact CD2-CD1 4.48Å; Y173-Y264 AromaticContact CD2-CD2 3.91Å; Y173-Y264 HydrophobicContact CD2-CD2 3.91Å; Y173-Y264 HydrophobicContact CD2-CE1 4.23Å; Y173-Y264 AromaticContact CD2-CE2 3.61Å; Y173-Y264 HydrophobicContact CD2-CE2 3.61Å; Y173-Y264 HydrophobicContact CD2-CG 4.33Å; Y173-Y264 AromaticContact CD2-CZ 3.79Å; Y173-Y264 WeakPolarHBondContact CD2-O 3.41Å; Y173-Y264 HydrophobicContact CE2-CE2 4.17Å; Y173-Y264 HydrophobicContact CG-CE1 4.21Å; Y173-Y264 HydrophobicContact CG-CE2 4.31Å; Y173-Y264 PolarHBondContact N-O 3.5Å; Y173-Y264 PolarHBondContact O-N 3.01Å; I194-Y264 HydrophobicContact CD1-CD1 4.03Å; I194-Y264 HydrophobicContact CD1-CE1 4.1Å; I194-Y264 HydrophobicContact CG2-CD2 4.49Å; I194-Y264 HydrophobicContact CG2-CE1 4.39Å; I194-Y264 HydrophobicContact CG2-CE2 4.07Å; E196-Y264 HydrophobicContact CG-CE2 4.01Å; E196-Y264 PolarHBondContact OE1-OH 3.29Å; F202-Y264 VanDerWaalsContact O-CA 3.27Å; F202-Y264 WeakPolarHBondContact O-CA 3.28Å; F202-Y264 VanDerWaalsContact O-CB 3.25Å; F202-Y264 WeakPolarHBondContact O-CB 3.11Å; Y264-V266 HydrophobicContact CE2-CG1 4.1Å
265	D	95.4	Very high	88.9	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.8	164.3	-167.6	31.5	0	0	0	110.2	R168 G171 Y173 S201 F202 R289	R168-D265 IonicContact CZ-OD1 3.43Å; R168-D265 IonicContact CZ-OD2 3.21Å; R168-D265 IonicContact NE-OD1 3.53Å; R168-D265 PolarHBondContact NE-OD1 2.89Å; R168-D265 IonicContact NE-OD2 2.73Å; R168-D265 IonicContact NH2-OD1 2.68Å; R168-D265 PolarHBondContact NH2-OD1 2.8Å; R168-D265 IonicContact NH2-OD2 3.91Å; R168-D265 PolarHBondContact NH2-OD2 2.85Å; G171-D265 WeakPolarHBondContact O-CB 3.45Å; G171-D265 VanDerWaalsContact O-CG 3.22Å; Y173-D265 WeakPolarHBondContact CE2-OD1 3.41Å; S201-D265 WeakPolarHBondContact CB-O 2.99Å; S201-D265 PolarHBondContact N-O 2.87Å; S201-D265 PolarHBondContact OG-O 3.38Å; F202-D265 HydrophobicContact CD1-CB 3.87Å; F202-D265 HydrophobicContact CE1-CB 3.33Å; F202-D265 HydrophobicContact CZ-CB 3.99Å; F202-D265 PolarHBondContact N-O 3.02Å; F202-D265 PolarHBondContact O-N 3.24Å; D265-R289 IonicContact OD2-CZ 2.68Å; D265-R289 IonicContact OD2-NH2 2.75Å; D265-R289 PolarHBondContact OD2-NH2 3.26Å
266	V	94.3	Very high	89.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	161.2	-178.4	-62.8	0	0	0	0	111.9	Y173 E196 G199 S201 Y264 L268 R289	Y173-V266 HydrophobicContact CE2-CG1 3.95Å; Y173-V266 HydrophobicContact CE2-CG2 4.14Å; E196-V266 HydrophobicContact CB-CG1 4.02Å; E196-V266 HydrophobicContact CG-CG1 3.62Å; E196-V266 WeakPolarHBondContact OE2-CG1 3.36Å; G199-V266 CarbonylContact O-C 3.59Å; G199-V266 WeakPolarHBondContact O-CA 3.23Å; S201-V266 PolarHBondContact OG-O 3.41Å; Y264-V266 HydrophobicContact CE2-CG1 4.1Å; V266-L268 HydrophobicContact CG2-CD1 4.5Å; V266-L268 HydrophobicContact CG2-CD2 3.66Å; V266-L268 HydrophobicContact CG2-CG 3.86Å; V266-L268 PolarHBondContact O-N 3.39Å; V266-R289 PolarHBondContact O-NH2 3.32Å
267	E	92.1	Very high	89	Confident	61 Å²	61	31.5 Å²	31.5	29%	0.285	16%	0.162	S	C	.	.			trans	-66.8	121.3	162.5	-79.5	-58	138.6	0	0	109.8	T198 G199 S201 K269	T198-E267 WeakPolarHBondContact CB-O 3.35Å; T198-E267 VanDerWaalsContact O-CB 3.3Å; T198-E267 WeakPolarHBondContact O-CB 3.21Å; T198-E267 PolarHBondContact OG1-O 2.94Å; G199-E267 PolarHBondContact O-N 2.93Å; S201-E267 WeakPolarHBondContact CA-OE1 3.42Å; S201-E267 WeakPolarHBondContact CB-OE1 3.23Å; E267-K269 WeakPolarHBondContact OE2-CE 3.43Å
268	L	88.1	Confident	88.9	Confident	25 Å²	25	30.2 Å²	30.2	13%	0.131	15%	0.15	C	C	.	.			trans	-119.6	105.6	176.4	-62.9	170.1	0	0	0	107.6	V266 A287 R289	V266-L268 HydrophobicContact CG2-CD1 4.5Å; V266-L268 HydrophobicContact CG2-CD2 3.66Å; V266-L268 HydrophobicContact CG2-CG 3.86Å; V266-L268 PolarHBondContact O-N 3.39Å; L268-A287 HydrophobicContact CD1-CB 3.76Å; L268-A287 HydrophobicContact CD2-CB 4.29Å; L268-R289 HydrophobicContact CB-CG 4.26Å; L268-R289 HydrophobicContact CD1-CG 4.46Å
269	K	77.5	Confident	88.6	Confident	159 Å²	159	34.9 Å²	34.9	69%	0.691	17%	0.174	S	C	*	.			trans	-115.2	-27.3	-171.2	-67.3	162.5	-177.6	151.8	0	112.7	T198 E267	T198-K269 PolarHBondContact O-NZ 2.91Å; E267-K269 WeakPolarHBondContact OE2-CE 3.43Å
270	D	78.8	Confident	88.6	Confident	85 Å²	85	35.4 Å²	35.4	46%	0.455	19%	0.186	S	C	.	.			trans	-88.4	147.2	-179.5	-150.6	-45.3	0	0	0	111.7	L272	D270-L272 PolarHBondContact OD1-N 3.27Å
271	L	80.1	Confident	88.5	Confident	101 Å²	101	36.3 Å²	36.3	53%	0.529	19%	0.189	S	C	.	.	S	Bend	trans	-85.4	-28.1	171.5	-64.5	176.4	0	0	0	112	L544	L271-L544 HydrophobicContact CB-CD1 4.19Å
272	L	85.3	Confident	88.5	Confident	23 Å²	23	36.1 Å²	36.1	12%	0.12	19%	0.188	C	C	.	.	S	Bend	trans	-83.5	-18.2	175.5	-86	169.3	0	0	0	113.1	D270 H284 F286 V533 L544 D546	D270-L272 PolarHBondContact OD1-N 3.27Å; L272-H284 PolarHBondContact O-NE2 3.39Å; L272-F286 WeakPolarHBondContact O-CD2 3.46Å; L272-V533 HydrophobicContact CD2-CB 3.87Å; L272-V533 HydrophobicContact CD2-CG2 3.49Å; L272-V533 VanDerWaalsContact CD2-CG2 3.49Å; L272-L544 HydrophobicContact CD1-CB 4.37Å; L272-L544 HydrophobicContact CD2-CB 3.5Å; L272-L544 VanDerWaalsContact CD2-CB 3.5Å; L272-L544 HydrophobicContact CD2-CD1 4.34Å; L272-L544 HydrophobicContact CG-CB 3.91Å; L272-L544 HydrophobicContact CG-CD1 4.3Å; L272-D546 HydrophobicContact CD1-CB 3.37Å
273	G	87.6	Confident	88.4	Confident	13 Å²	13	36.1 Å²	36.1	13%	0.134	19%	0.188	C	C	.	.			trans	104.3	-178.1	179.3	0	0	0	0	0	114.5	F285	G273-F285 CarbonylContact C-O 3.58Å; G273-F285 VanDerWaalsContact CA-O 3.25Å; G273-F285 WeakPolarHBondContact CA-O 3.44Å
274	D	89.2	Confident	88.3	Confident	10 Å²	10	35.1 Å²	35.1	5%	0.053	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	99.9	-178	172.3	37.7	0	0	0	110	R63 R197 T198 Q276 F285	R63-D274 IonicContact CZ-OD2 3.48Å; R63-D274 IonicContact NH1-OD2 2.94Å; R63-D274 PolarHBondContact NH1-OD2 3.35Å; R63-D274 IonicContact NH2-OD2 2.72Å; R197-D274 IonicContact CZ-OD1 3.65Å; R197-D274 IonicContact NE-OD1 2.7Å; R197-D274 PolarHBondContact NE-OD1 3.3Å; R197-D274 IonicContact NH2-OD1 3.63Å; R197-D274 PolarHBondContact NH2-OD1 3.16Å; T198-D274 HydrophobicContact CG2-CB 3.96Å; T198-D274 VanDerWaalsContact CG2-CG 3.45Å; D274-Q276 PolarHBondContact OD2-NE2 3.12Å; D274-F285 HydrophobicContact CB-CB 4.28Å; D274-F285 PolarHBondContact N-O 2.94Å; D274-F285 PolarHBondContact O-N 3.47Å
275	V	90.4	Very high	88.2	Confident	11 Å²	11	35.1 Å²	35.1	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.6	179.3	-172.5	0	0	0	0	110.6	R197 V277 V283 H284 L529 V531 V548	R197-V275 PolarHBondContact NH1-O 2.86Å; R197-V275 PolarHBondContact NH2-O 2.93Å; V275-V277 HydrophobicContact CG1-CG2 4.45Å; V275-V283 WeakPolarHBondContact CA-O 3.24Å; V275-H284 HydrophobicContact CG1-CB 4.47Å; V275-H284 HydrophobicContact CG2-CB 4.04Å; V275-L529 HydrophobicContact CG1-CD2 4.49Å; V275-V531 HydrophobicContact CG2-CG2 4.32Å; V275-V548 HydrophobicContact CB-CB 4.45Å; V275-V548 HydrophobicContact CB-CG1 3.98Å; V275-V548 HydrophobicContact CB-CG2 3.81Å; V275-V548 HydrophobicContact CG1-CB 4.3Å; V275-V548 HydrophobicContact CG1-CG1 3.94Å; V275-V548 HydrophobicContact CG1-CG2 4Å; V275-V548 HydrophobicContact CG2-CG2 3.99Å
276	Q	88.1	Confident	88.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.6	-176.7	-45.4	-166	11.6	0	0	110	S62 D274 Y278 F282 V283	S62-Q276 VanDerWaalsContact OG-CD 3.3Å; S62-Q276 PolarHBondContact OG-NE2 2.83Å; S62-Q276 PolarHBondContact OG-OE1 2.65Å; D274-Q276 PolarHBondContact OD2-NE2 3.12Å; Q276-Y278 HydrophobicContact CB-CD2 4.47Å; Q276-Y278 HydrophobicContact CB-CE2 4.15Å; Q276-F282 CarbonylContact O-C 3.54Å; Q276-F282 VanDerWaalsContact O-CA 3.28Å; Q276-F282 WeakPolarHBondContact O-CA 3.45Å; Q276-V283 HydrophobicContact CB-CG1 3.98Å; Q276-V283 HydrophobicContact CG-CG1 4.47Å; Q276-V283 PolarHBondContact N-O 3.23Å; Q276-V283 PolarHBondContact O-N 3.31Å
277	V	87.4	Confident	88	Confident	17 Å²	17	35.1 Å²	35.1	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.2	-175.8	-171.1	0	0	0	0	109.9	V275 Y281 F282 V522 L529 I550	V275-V277 HydrophobicContact CG1-CG2 4.45Å; V277-Y281 CarbonylContact C-O 3.56Å; V277-Y281 WeakPolarHBondContact CA-O 3.43Å; V277-Y281 WeakPolarHBondContact CG1-O 3.37Å; V277-F282 HydrophobicContact CG1-CB 4.46Å; V277-F282 HydrophobicContact CG2-CB 3.94Å; V277-V522 HydrophobicContact CG1-CG2 3.92Å; V277-L529 HydrophobicContact CG2-CD2 4.34Å; V277-I550 HydrophobicContact CB-CG2 4.3Å; V277-I550 HydrophobicContact CG1-CD1 4.4Å; V277-I550 HydrophobicContact CG1-CG1 4.22Å; V277-I550 HydrophobicContact CG1-CG2 3.84Å; V277-I550 HydrophobicContact CG2-CG1 4.42Å
278	Y	84.3	Confident	87.9	Confident	74 Å²	74	32.5 Å²	32.5	29%	0.29	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	139.1	-178.9	-67.4	-81.4	0	0	0	110.6	Q276 G280 Y281 F574 V575	Q276-Y278 HydrophobicContact CB-CD2 4.47Å; Q276-Y278 HydrophobicContact CB-CE2 4.15Å; Y278-G280 PolarHBondContact O-N 2.87Å; Y278-G280 VanDerWaalsContact O-N 3.12Å; Y278-Y281 PolarHBondContact N-O 3.46Å; Y278-Y281 PolarHBondContact O-N 3.11Å; Y278-F574 HydrophobicContact CD2-CE1 4.05Å; Y278-F574 HydrophobicContact CD2-CZ 4.42Å; Y278-F574 HydrophobicContact CE2-CE1 4.12Å; Y278-F574 HydrophobicContact CE2-CZ 4.4Å; Y278-V575 HydrophobicContact CD2-CG2 3.72Å; Y278-V575 HydrophobicContact CG-CG2 4.42Å
279	D	83.1	Confident	87.7	Confident	100 Å²	100	35.9 Å²	35.9	54%	0.535	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	26.6	177.2	-166.3	53.2	0	0	0	115.6	Y281 R576	D279-Y281 VanDerWaalsContact C-N 3.27Å; D279-Y281 HydrophobicContact CB-CD2 4.46Å; D279-Y281 VanDerWaalsContact O-CD2 3.27Å; D279-Y281 WeakPolarHBondContact O-CD2 3.42Å; D279-Y281 PolarHBondContact O-N 2.89Å; D279-R576 WeakPolarHBondContact OD2-CD 3.39Å; D279-R576 IonicContact OD2-CZ 3.36Å; D279-R576 IonicContact OD2-NE 3.61Å; D279-R576 IonicContact OD2-NH1 2.66Å; D279-R576 PolarHBondContact OD2-NH1 2.83Å
280	G	88.3	Confident	87.9	Confident	35 Å²	35	32.4 Å²	32.4	36%	0.361	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	14.1	-174.4	0	0	0	0	0	114.2	Y278 R521 V522	Y278-G280 PolarHBondContact O-N 2.87Å; Y278-G280 VanDerWaalsContact O-N 3.12Å; G280-R521 WeakPolarHBondContact O-CA 3.4Å; G280-V522 PolarHBondContact O-N 2.89Å
281	Y	91.6	Very high	88.3	Confident	18 Å²	18	30.3 Å²	30.3	7%	0.071	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	153.4	168	-63.6	-98.2	0	0	0	109.3	V277 Y278 D279 G520 R521 R576 W579	V277-Y281 CarbonylContact C-O 3.56Å; V277-Y281 WeakPolarHBondContact CA-O 3.43Å; V277-Y281 WeakPolarHBondContact CG1-O 3.37Å; Y278-Y281 PolarHBondContact N-O 3.46Å; Y278-Y281 PolarHBondContact O-N 3.11Å; D279-Y281 VanDerWaalsContact C-N 3.27Å; D279-Y281 HydrophobicContact CB-CD2 4.46Å; D279-Y281 VanDerWaalsContact O-CD2 3.27Å; D279-Y281 WeakPolarHBondContact O-CD2 3.42Å; D279-Y281 PolarHBondContact O-N 2.89Å; Y281-G520 CarbonylContact C-O 3.55Å; Y281-G520 WeakPolarHBondContact CA-O 3.48Å; Y281-R521 HydrophobicContact CD1-CG 3.66Å; Y281-R521 HydrophobicContact CE1-CG 3.53Å; Y281-R521 PolarHBondContact OH-NE 3.32Å; Y281-R576 HydrophobicContact CD1-CB 4.37Å; Y281-R576 HydrophobicContact CD1-CG 4.2Å; Y281-R576 HydrophobicContact CD2-CB 3.7Å; Y281-R576 HydrophobicContact CD2-CG 3.67Å; Y281-R576 HydrophobicContact CE1-CG 3.98Å; Y281-R576 HydrophobicContact CE2-CB 4.03Å; Y281-R576 VanDerWaalsContact CE2-CD 3.41Å; Y281-R576 HydrophobicContact CE2-CG 3.44Å; Y281-R576 VanDerWaalsContact CE2-CG 3.44Å; Y281-R576 HydrophobicContact CG-CB 3.93Å; Y281-R576 HydrophobicContact CG-CG 4.08Å; Y281-W579 HydrophobicContact CD1-CB 3.94Å; Y281-W579 AromaticContact CD1-CD2 3.87Å; Y281-W579 HydrophobicContact CD1-CD2 3.87Å; Y281-W579 HydrophobicContact CD1-CE3 4.01Å; Y281-W579 AromaticContact CD1-CG 3.82Å; Y281-W579 HydrophobicContact CD1-CG 3.82Å; Y281-W579 AromaticContact CE1-CD2 3.7Å; Y281-W579 HydrophobicContact CE1-CD2 3.7Å; Y281-W579 AromaticContact CE1-CE3 3.48Å; Y281-W579 HydrophobicContact CE1-CE3 3.48Å; Y281-W579 VanDerWaalsContact CE1-CE3 3.48Å; Y281-W579 HydrophobicContact CE1-CG 4.17Å; Y281-W579 AromaticContact CE1-CZ3 4Å; Y281-W579 HydrophobicContact CE1-CZ3 4Å
282	F	92.3	Very high	88.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.6	171.9	75	-92.9	0	0	0	111.8	Q276 V277 Y494 A499 I502 V518 A519 G520 V522 L529	Q276-F282 CarbonylContact O-C 3.54Å; Q276-F282 VanDerWaalsContact O-CA 3.28Å; Q276-F282 WeakPolarHBondContact O-CA 3.45Å; V277-F282 HydrophobicContact CG1-CB 4.46Å; V277-F282 HydrophobicContact CG2-CB 3.94Å; F282-Y494 HydrophobicContact CD2-CE1 4.31Å; F282-Y494 AromaticContact CE2-CD1 3.96Å; F282-Y494 HydrophobicContact CE2-CD1 3.96Å; F282-Y494 AromaticContact CE2-CE1 3.48Å; F282-Y494 HydrophobicContact CE2-CE1 3.48Å; F282-Y494 VanDerWaalsContact CE2-CE1 3.48Å; F282-Y494 HydrophobicContact CE2-CE2 4.25Å; F282-Y494 AromaticContact CE2-CZ 3.66Å; F282-Y494 AromaticContact CZ-CD1 3.86Å; F282-Y494 HydrophobicContact CZ-CD1 3.86Å; F282-Y494 HydrophobicContact CZ-CD2 4.22Å; F282-Y494 AromaticContact CZ-CE1 3.84Å; F282-Y494 HydrophobicContact CZ-CE1 3.84Å; F282-Y494 HydrophobicContact CZ-CE2 4.23Å; F282-Y494 HydrophobicContact CZ-CG 4.07Å; F282-A499 HydrophobicContact CE1-CB 4.08Å; F282-I502 HydrophobicContact CE1-CG1 4.36Å; F282-I502 HydrophobicContact CZ-CD1 4.26Å; F282-I502 HydrophobicContact CZ-CG1 4.22Å; F282-I502 HydrophobicContact CZ-CG2 3.85Å; F282-V518 HydrophobicContact CE2-CG1 4.34Å; F282-A519 CarbonylContact O-C 3.56Å; F282-A519 VanDerWaalsContact O-CA 3.25Å; F282-A519 WeakPolarHBondContact O-CA 3.42Å; F282-G520 VanDerWaalsContact CD1-C 3.45Å; F282-G520 VanDerWaalsContact CE1-CA 3.43Å; F282-G520 PolarHBondContact N-O 3.02Å; F282-G520 PolarHBondContact O-N 2.74Å; F282-V522 HydrophobicContact CB-CG2 4.21Å; F282-V522 HydrophobicContact CD1-CG2 3.78Å; F282-V522 HydrophobicContact CG-CG2 4.45Å; F282-L529 HydrophobicContact CB-CD2 4.18Å; F282-L529 HydrophobicContact CD1-CD2 4.09Å; F282-L529 HydrophobicContact CD2-CD2 4.31Å; F282-L529 HydrophobicContact CG-CD2 3.95Å
283	V	92	Very high	89	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.1	163	60.6	0	0	0	0	108.9	V275 Q276 F285 V517 V518 F574 V575 L578	V275-V283 WeakPolarHBondContact CA-O 3.24Å; Q276-V283 HydrophobicContact CB-CG1 3.98Å; Q276-V283 HydrophobicContact CG-CG1 4.47Å; Q276-V283 PolarHBondContact N-O 3.23Å; Q276-V283 PolarHBondContact O-N 3.31Å; V283-F285 HydrophobicContact CB-CE2 4.33Å; V283-F285 HydrophobicContact CG1-CD2 4.4Å; V283-F285 HydrophobicContact CG1-CE2 3.62Å; V283-F285 HydrophobicContact CG1-CZ 4.15Å; V283-F285 HydrophobicContact CG2-CD2 4.2Å; V283-F285 HydrophobicContact CG2-CE1 4.21Å; V283-F285 HydrophobicContact CG2-CE2 3.73Å; V283-F285 HydrophobicContact CG2-CZ 3.73Å; V283-V517 HydrophobicContact CG2-CG1 3.57Å; V283-V518 CarbonylContact C-O 3.59Å; V283-V518 VanDerWaalsContact CA-O 3.3Å; V283-V518 WeakPolarHBondContact CA-O 3.43Å; V283-F574 HydrophobicContact CG1-CE2 4.46Å; V283-V575 HydrophobicContact CB-CG1 4.12Å; V283-V575 HydrophobicContact CG1-CG1 4.08Å; V283-V575 HydrophobicContact CG1-CG2 3.94Å; V283-L578 HydrophobicContact CB-CD2 4.32Å; V283-L578 HydrophobicContact CG2-CD2 3.84Å
284	H	93.1	Very high	89	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113.4	-179.5	172.2	-170.8	0	0	0	108.6	L272 V275 Y494 V517 V518	L272-H284 PolarHBondContact O-NE2 3.39Å; V275-H284 HydrophobicContact CG1-CB 4.47Å; V275-H284 HydrophobicContact CG2-CB 4.04Å; H284-Y494 AromaticContact ND1-CZ 3.83Å; H284-Y494 PolarHBondContact ND1-OH 2.75Å; H284-V517 VanDerWaalsContact O-CA 3.27Å; H284-V517 WeakPolarHBondContact O-CA 3.37Å; H284-V518 PolarHBondContact N-O 3.32Å; H284-V518 PolarHBondContact O-N 3.01Å
285	F	92.9	Very high	89.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	106.2	176.4	-58.9	-87.6	0	0	0	110.9	S62 R63 L165 G273 D274 V283 E515 L516 V517 L578	S62-F285 VanDerWaalsContact O-CZ 3.31Å; S62-F285 WeakPolarHBondContact O-CZ 3.41Å; R63-F285 HydrophobicContact CB-CE1 4.28Å; R63-F285 HydrophobicContact CG-CE1 4.36Å; L165-F285 HydrophobicContact CD1-CE1 4.23Å; G273-F285 CarbonylContact C-O 3.58Å; G273-F285 VanDerWaalsContact CA-O 3.25Å; G273-F285 WeakPolarHBondContact CA-O 3.44Å; D274-F285 HydrophobicContact CB-CB 4.28Å; D274-F285 PolarHBondContact N-O 2.94Å; D274-F285 PolarHBondContact O-N 3.47Å; V283-F285 HydrophobicContact CB-CE2 4.33Å; V283-F285 HydrophobicContact CG1-CD2 4.4Å; V283-F285 HydrophobicContact CG1-CE2 3.62Å; V283-F285 HydrophobicContact CG1-CZ 4.15Å; V283-F285 HydrophobicContact CG2-CD2 4.2Å; V283-F285 HydrophobicContact CG2-CE1 4.21Å; V283-F285 HydrophobicContact CG2-CE2 3.73Å; V283-F285 HydrophobicContact CG2-CZ 3.73Å; F285-E515 HydrophobicContact CB-CG 4.32Å; F285-E515 HydrophobicContact CD1-CG 4.48Å; F285-L516 CarbonylContact C-O 3.57Å; F285-V517 HydrophobicContact CD1-CB 4.45Å; F285-V517 HydrophobicContact CD1-CG1 3.91Å; F285-V517 HydrophobicContact CD1-CG2 3.69Å; F285-V517 HydrophobicContact CE1-CG1 3.95Å; F285-V517 HydrophobicContact CE1-CG2 4.18Å; F285-L578 HydrophobicContact CZ-CD2 4.26Å
286	F	93.1	Very high	89.2	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.5	-177.9	177.7	-91.9	0	0	0	111.3	L272 P288 L487 V490 L492 L516 V533	L272-F286 WeakPolarHBondContact O-CD2 3.46Å; F286-P288 HydrophobicContact CD1-CG 4.38Å; F286-P288 VanDerWaalsContact CE1-CD 3.46Å; F286-P288 HydrophobicContact CE1-CG 3.7Å; F286-P288 HydrophobicContact CE2-CG 4.06Å; F286-P288 HydrophobicContact CZ-CG 3.52Å; F286-L487 HydrophobicContact CE1-CD1 4.09Å; F286-L487 HydrophobicContact CZ-CD1 3.97Å; F286-V490 HydrophobicContact CD1-CG1 4.48Å; F286-V490 HydrophobicContact CE1-CG1 3.92Å; F286-V490 HydrophobicContact CZ-CG1 4.28Å; F286-L492 HydrophobicContact CB-CD1 4.07Å; F286-L492 HydrophobicContact CB-CD2 4.48Å; F286-L492 HydrophobicContact CD2-CD2 4.06Å; F286-L492 HydrophobicContact CE2-CD2 4.43Å; F286-L492 HydrophobicContact CG-CD1 4.45Å; F286-L492 HydrophobicContact CG-CD2 4.11Å; F286-L516 HydrophobicContact CB-CB 4.23Å; F286-L516 HydrophobicContact CD1-CB 4.25Å; F286-L516 HydrophobicContact CD1-CD1 3.72Å; F286-L516 HydrophobicContact CD1-CG 4.04Å; F286-L516 HydrophobicContact CE1-CD1 4.18Å; F286-L516 PolarHBondContact N-O 3.15Å; F286-L516 PolarHBondContact O-N 3.43Å; F286-V533 HydrophobicContact CD2-CG2 4.49Å; F286-V533 HydrophobicContact CE2-CG1 3.77Å; F286-V533 HydrophobicContact CE2-CG2 4.37Å; F286-V533 HydrophobicContact CZ-CG1 3.99Å
287	A	92.9	Very high	89.4	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.017	19%	0.186	C	C	.	.			trans	-146.3	60.7	-179.7	0	0	0	0	0	113.2	L268 R289 Y510 E515	L268-A287 HydrophobicContact CD1-CB 3.76Å; L268-A287 HydrophobicContact CD2-CB 4.29Å; A287-R289 PolarHBondContact O-N 3.3Å; A287-Y510 VanDerWaalsContact C-OH 3.27Å; A287-Y510 WeakPolarHBondContact CA-OH 3.5Å; A287-E515 HydrophobicContact CB-CB 4.04Å; A287-E515 HydrophobicContact CB-CG 4.03Å
288	P	89.5	Confident	89.8	Confident	6 Å²	6	29.7 Å²	29.7	4%	0.039	18%	0.181	C	C	.	.			trans	-60.4	133.7	-176.5	25.8	-35.6	0	0	0	112.7	F286 L291 L487 Y510	F286-P288 HydrophobicContact CD1-CG 4.38Å; F286-P288 VanDerWaalsContact CE1-CD 3.46Å; F286-P288 HydrophobicContact CE1-CG 3.7Å; F286-P288 HydrophobicContact CE2-CG 4.06Å; F286-P288 HydrophobicContact CZ-CG 3.52Å; P288-L291 HydrophobicContact CB-CD1 4.02Å; P288-L291 HydrophobicContact CB-CG 4.49Å; P288-L291 HydrophobicContact CG-CD1 3.78Å; P288-L487 HydrophobicContact CG-CD1 4.43Å; P288-Y510 HydrophobicContact CG-CD1 4.24Å; P288-Y510 HydrophobicContact CG-CE1 3.74Å; P288-Y510 PolarHBondContact O-OH 3.33Å
289	R	84.1	Confident	90.4	Very high	96 Å²	96	26.1 Å²	26.1	36%	0.362	17%	0.167	S	C	.	.			trans	-96.6	163.2	175.3	-67.9	-179.4	172.9	159.1	-0.4	110.7	D265 V266 L268 A287 L291	D265-R289 IonicContact OD2-CZ 2.68Å; D265-R289 IonicContact OD2-NH2 2.75Å; D265-R289 PolarHBondContact OD2-NH2 3.26Å; V266-R289 PolarHBondContact O-NH2 3.32Å; L268-R289 HydrophobicContact CB-CG 4.26Å; L268-R289 HydrophobicContact CD1-CG 4.46Å; A287-R289 PolarHBondContact O-N 3.3Å; R289-L291 VanDerWaalsContact C-N 3.32Å; R289-L291 PolarHBondContact O-N 3.09Å
290	G	82.7	Confident	91.1	Very high	85 Å²	85	21.5 Å²	21.5	88%	0.876	14%	0.142	S	C	*	.	S	Bend	trans	81.1	-5.6	171.5	0	0	0	0	0	117
291	L	87.1	Confident	91.6	Very high	42 Å²	42	19.9 Å²	19.9	22%	0.22	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-65.4	147.4	177.4	-62.5	176.1	0	0	0	112.7	P288 R289 L486 L487	P288-L291 HydrophobicContact CB-CD1 4.02Å; P288-L291 HydrophobicContact CB-CG 4.49Å; P288-L291 HydrophobicContact CG-CD1 3.78Å; R289-L291 VanDerWaalsContact C-N 3.32Å; R289-L291 PolarHBondContact O-N 3.09Å; L291-L486 HydrophobicContact CB-CB 4.21Å; L291-L486 HydrophobicContact CB-CD1 4.42Å; L291-L486 HydrophobicContact CB-CD2 4.4Å; L291-L486 HydrophobicContact CD1-CB 4.27Å; L291-L487 HydrophobicContact CD1-CD1 3.84Å; L291-L487 HydrophobicContact CD1-CD2 4.02Å; L291-L487 HydrophobicContact CD1-CG 3.79Å
292	P	88.7	Confident	91.9	Very high	64 Å²	64	19.2 Å²	19.2	42%	0.416	12%	0.123	S	C	.	.	P	Polyproline II helix	trans	-69.9	145.6	173.3	30.9	-35	0	0	0	111.2	V294 S538	P292-V294 PolarHBondContact O-N 2.88Å; P292-S538 WeakPolarHBondContact CG-OG 3.4Å
293	V	90.1	Very high	92.2	Very high	33 Å²	33	19.2 Å²	19.2	20%	0.2	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-76.7	122	175.5	177.7	0	0	0	0	110.2	N484 P485 L486	V293-N484 HydrophobicContact CG1-CB 4.12Å; V293-N484 HydrophobicContact CG2-CB 4.24Å; V293-P485 CarbonylContact C-O 3.45Å; V293-P485 WeakPolarHBondContact CA-O 3.44Å; V293-L486 HydrophobicContact CB-CD2 4.38Å; V293-L486 HydrophobicContact CG2-CD2 3.66Å
294	V	88.7	Confident	92.5	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.042	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-70.2	133.6	173.7	-171.3	0	0	0	0	108.5	P292 V403 P485 L486	P292-V294 PolarHBondContact O-N 2.88Å; V294-V403 HydrophobicContact CG1-CG2 4.23Å; V294-P485 HydrophobicContact CB-CG 4.49Å; V294-P485 PolarHBondContact N-O 3.36Å; V294-L486 WeakPolarHBondContact CG2-O 3.24Å
295	P	90.9	Very high	92.4	Very high	42 Å²	42	19.8 Å²	19.8	27%	0.273	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-59.9	148	172.8	-21.4	33.1	0	0	0	111.2	R402 V403	P295-R402 HydrophobicContact CB-CG 4.44Å; P295-R402 WeakPolarHBondContact O-CA 3.32Å; P295-V403 PolarHBondContact O-N 3.15Å; P295-V403 VanDerWaalsContact O-N 3.11Å
296	K	91.6	Very high	92.1	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	154.3	175.1	56.7	-179.8	-178.1	-64.9	0	112.5	I298 D331 H332 V403 L405 Y479 A483 P485	K296-I298 HydrophobicContact CD-CB 4.32Å; K296-I298 HydrophobicContact CD-CD1 4.3Å; K296-I298 HydrophobicContact CD-CG2 4.19Å; K296-I298 HydrophobicContact CG-CB 4.49Å; K296-I298 HydrophobicContact CG-CG2 4.23Å; K296-D331 HydrophobicContact CG-CB 4.21Å; K296-D331 WeakPolarHBondContact CG-OD1 3.41Å; K296-D331 PolarHBondContact N-OD1 2.95Å; K296-D331 IonicContact NZ-OD1 2.68Å; K296-D331 IonicContact NZ-OD2 2.78Å; K296-D331 PolarHBondContact NZ-OD2 3.47Å; K296-D331 WeakPolarHBondContact O-CA 3.23Å; K296-H332 PolarHBondContact O-N 2.85Å; K296-V403 WeakPolarHBondContact CA-O 3.35Å; K296-L405 HydrophobicContact CB-CD1 4.32Å; K296-L405 HydrophobicContact CD-CD1 4.05Å; K296-Y479 WeakPolarHBondContact CE-OH 3.35Å; K296-Y479 PolarHBondContact NZ-OH 2.82Å; K296-A483 WeakPolarHBondContact CE-O 3.36Å; K296-A483 PolarHBondContact NZ-O 3.44Å; K296-P485 HydrophobicContact CB-CG 4.43Å
297	D	92.4	Very high	91.8	Very high	15 Å²	15	23.7 Å²	23.7	8%	0.08	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	96.8	169.3	-140	-38.2	0	0	0	107.4	H332 T350 R402 V403 L405	D297-H332 CarbonylContact C-O 3.57Å; D297-H332 WeakPolarHBondContact CA-O 3.32Å; D297-H332 WeakPolarHBondContact OD1-CB 3.4Å; D297-T350 WeakPolarHBondContact OD1-CB 3.41Å; D297-T350 WeakPolarHBondContact OD1-CG2 3.46Å; D297-T350 PolarHBondContact OD1-OG1 3.38Å; D297-T350 PolarHBondContact OD2-OG1 3.15Å; D297-R402 HydrophobicContact CB-CB 4.37Å; D297-R402 IonicContact OD2-CZ 3.9Å; D297-R402 IonicContact OD2-NH1 2.74Å; D297-R402 PolarHBondContact OD2-NH1 3.41Å; D297-V403 PolarHBondContact N-O 3.36Å; D297-L405 PolarHBondContact O-N 3.43Å
298	I	95.5	Very high	91.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.3	-162.2	-177.4	162.9	0	0	0	113.7	K296 F300 L327 H332 F333 N334 L405 I407 Y479	K296-I298 HydrophobicContact CD-CB 4.32Å; K296-I298 HydrophobicContact CD-CD1 4.3Å; K296-I298 HydrophobicContact CD-CG2 4.19Å; K296-I298 HydrophobicContact CG-CB 4.49Å; K296-I298 HydrophobicContact CG-CG2 4.23Å; I298-F300 HydrophobicContact CD1-CE1 3.97Å; I298-F300 HydrophobicContact CD1-CE2 4.45Å; I298-F300 HydrophobicContact CD1-CZ 3.77Å; I298-F300 HydrophobicContact CG1-CE1 4.29Å; I298-F300 HydrophobicContact CG1-CE2 4.15Å; I298-F300 HydrophobicContact CG1-CZ 3.96Å; I298-F300 HydrophobicContact CG2-CE2 4.11Å; I298-F300 HydrophobicContact CG2-CZ 4.3Å; I298-L327 HydrophobicContact CG2-CD2 3.84Å; I298-H332 PolarHBondContact N-O 2.88Å; I298-F333 HydrophobicContact CG2-CB 3.88Å; I298-F333 CarbonylContact O-C 3.59Å; I298-F333 WeakPolarHBondContact O-CA 3.18Å; I298-F333 WeakPolarHBondContact O-CB 3.48Å; I298-N334 PolarHBondContact O-N 3.4Å; I298-N334 VanDerWaalsContact O-N 3.08Å; I298-L405 CarbonylContact C-O 3.6Å; I298-L405 WeakPolarHBondContact CA-O 3.41Å; I298-L405 HydrophobicContact CB-CB 4.21Å; I298-L405 HydrophobicContact CD1-CB 4.3Å; I298-L405 HydrophobicContact CD1-CD1 4.32Å; I298-L405 HydrophobicContact CG1-CB 4.07Å; I298-I407 HydrophobicContact CD1-CD1 3.87Å; I298-I407 HydrophobicContact CD1-CG1 4.23Å; I298-Y479 HydrophobicContact CD1-CE2 4.15Å
299	I	97.6	Very high	91.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123	176.5	-56.1	171.9	0	0	0	109.5	V301 N334 I336 T350 A383 L386 V387 L405 V406 I407	I299-V301 HydrophobicContact CG2-CG2 3.85Å; I299-N334 HydrophobicContact CG1-CB 4.5Å; I299-I336 HydrophobicContact CG2-CD1 4.04Å; I299-I336 HydrophobicContact CG2-CG1 4.31Å; I299-T350 HydrophobicContact CD1-CG2 4.39Å; I299-T350 HydrophobicContact CG1-CG2 4.09Å; I299-A383 HydrophobicContact CD1-CB 4.46Å; I299-A383 WeakPolarHBondContact CD1-O 3.28Å; I299-A383 HydrophobicContact CG2-CB 4.34Å; I299-L386 HydrophobicContact CD1-CB 3.56Å; I299-L386 HydrophobicContact CD1-CD1 4.01Å; I299-L386 HydrophobicContact CD1-CG 4.46Å; I299-L386 HydrophobicContact CG2-CD1 4.45Å; I299-V387 HydrophobicContact CD1-CG2 3.46Å; I299-V387 VanDerWaalsContact CD1-CG2 3.46Å; I299-V387 HydrophobicContact CG1-CG2 4.45Å; I299-L405 PolarHBondContact N-O 2.88Å; I299-V406 HydrophobicContact CB-CG2 4.31Å; I299-V406 WeakPolarHBondContact O-CA 3.47Å; I299-I407 PolarHBondContact O-N 2.87Å
300	F	98.4	Very high	91.8	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115	169.8	-56.2	-85.4	0	0	0	108.5	I298 I302 M320 I323 L324 F333 N334 I335 I336 I407 Y479	I298-F300 HydrophobicContact CD1-CE1 3.97Å; I298-F300 HydrophobicContact CD1-CE2 4.45Å; I298-F300 HydrophobicContact CD1-CZ 3.77Å; I298-F300 HydrophobicContact CG1-CE1 4.29Å; I298-F300 HydrophobicContact CG1-CE2 4.15Å; I298-F300 HydrophobicContact CG1-CZ 3.96Å; I298-F300 HydrophobicContact CG2-CE2 4.11Å; I298-F300 HydrophobicContact CG2-CZ 4.3Å; F300-I302 HydrophobicContact CB-CD1 4.31Å; F300-I302 HydrophobicContact CB-CG1 4.39Å; F300-M320 HydrophobicContact CB-CE 3.82Å; F300-M320 HydrophobicContact CB-SD 4.4Å; F300-M320 HydrophobicContact CD1-CE 3.64Å; F300-M320 HydrophobicContact CD1-SD 3.77Å; F300-M320 HydrophobicContact CD2-CE 3.75Å; F300-M320 HydrophobicContact CE1-CE 4.1Å; F300-M320 HydrophobicContact CE1-SD 4.25Å; F300-M320 HydrophobicContact CE2-CE 4.21Å; F300-M320 HydrophobicContact CG-CE 3.44Å; F300-M320 VanDerWaalsContact CG-CE 3.44Å; F300-M320 HydrophobicContact CG-SD 4.12Å; F300-M320 HydrophobicContact CZ-CE 4.36Å; F300-I323 HydrophobicContact CE1-CG2 3.62Å; F300-I323 HydrophobicContact CZ-CG2 3.56Å; F300-L324 HydrophobicContact CE2-CD2 4.36Å; F300-F333 HydrophobicContact CE2-CB 4.48Å; F300-N334 PolarHBondContact N-O 3.14Å; F300-I335 WeakPolarHBondContact O-CA 3.44Å; F300-I336 PolarHBondContact O-N 3.23Å; F300-I407 HydrophobicContact CD1-CB 4.27Å; F300-I407 HydrophobicContact CD1-CD1 4.42Å; F300-I407 HydrophobicContact CE1-CD1 4.06Å; F300-Y479 HydrophobicContact CE1-CD2 4.38Å; F300-Y479 HydrophobicContact CZ-CE2 4.3Å
301	V	98.6	Very high	92.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	109.9	176.8	-172.3	0	0	0	0	107.3	I299 I336 F338 A379 A383 V406 I407 F408 L409	I299-V301 HydrophobicContact CG2-CG2 3.85Å; V301-I336 WeakPolarHBondContact CA-O 3.49Å; V301-I336 HydrophobicContact CG1-CB 4.36Å; V301-I336 HydrophobicContact CG1-CG2 4.13Å; V301-I336 HydrophobicContact CG2-CB 4.37Å; V301-I336 HydrophobicContact CG2-CD1 4.39Å; V301-F338 HydrophobicContact CG1-CD1 3.78Å; V301-F338 HydrophobicContact CG1-CE1 3.94Å; V301-A379 HydrophobicContact CG1-CB 3.83Å; V301-A383 HydrophobicContact CG2-CB 3.76Å; V301-V406 HydrophobicContact CG2-CG1 3.97Å; V301-I407 PolarHBondContact N-O 3.04Å; V301-F408 HydrophobicContact CB-CD2 3.74Å; V301-F408 HydrophobicContact CB-CE2 4.37Å; V301-F408 HydrophobicContact CB-CG 4.5Å; V301-F408 HydrophobicContact CG1-CD2 3.5Å; V301-F408 VanDerWaalsContact CG1-CD2 3.5Å; V301-F408 HydrophobicContact CG1-CE2 3.62Å; V301-F408 HydrophobicContact CG2-CD2 4.48Å; V301-F408 WeakPolarHBondContact O-CA 3.45Å; V301-L409 PolarHBondContact O-N 2.96Å
302	I	98.6	Very high	92.4	Very high	4 Å²	4	24 Å²	24	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.6	-166.4	-61.8	171.4	0	0	0	109.2	F300 V304 T316 M320 I335 I336 T337 F338	F300-I302 HydrophobicContact CB-CD1 4.31Å; F300-I302 HydrophobicContact CB-CG1 4.39Å; I302-V304 HydrophobicContact CG2-CG1 4.16Å; I302-T316 HydrophobicContact CG2-CG2 3.79Å; I302-M320 HydrophobicContact CD1-CE 4.25Å; I302-M320 HydrophobicContact CD1-CG 3.8Å; I302-M320 HydrophobicContact CD1-SD 4.09Å; I302-I335 HydrophobicContact CD1-CG2 4.02Å; I302-I336 PolarHBondContact N-O 3.07Å; I302-T337 HydrophobicContact CB-CG2 4.4Å; I302-T337 CarbonylContact O-C 2.96Å; I302-T337 VanDerWaalsContact O-CA 3.25Å; I302-T337 WeakPolarHBondContact O-CA 3.31Å; I302-F338 WeakPolarHBondContact O-CD1 3.46Å; I302-F338 PolarHBondContact O-N 3.47Å
303	D	98.3	Very high	92.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	134	169.3	-164.2	-30.9	0	0	0	110.5	S305 M308 F338 T374 L409 T410	D303-S305 WeakPolarHBondContact OD1-CB 3.45Å; D303-S305 PolarHBondContact OD1-N 3.43Å; D303-S305 PolarHBondContact OD1-OG 3.13Å; D303-M308 VanDerWaalsContact O-CE 3.27Å; D303-M308 WeakPolarHBondContact O-CE 3.33Å; D303-F338 VanDerWaalsContact CA-CE1 3.48Å; D303-F338 HydrophobicContact CB-CE1 3.82Å; D303-F338 HydrophobicContact CB-CE2 4.27Å; D303-F338 HydrophobicContact CB-CZ 3.62Å; D303-F338 VanDerWaalsContact N-CE1 3.28Å; D303-T374 VanDerWaalsContact OD2-CG2 3.27Å; D303-T374 WeakPolarHBondContact OD2-CG2 3.44Å; D303-L409 WeakPolarHBondContact CB-O 3.12Å; D303-L409 PolarHBondContact N-O 2.69Å; D303-T410 VanDerWaalsContact OD2-CB 3.29Å; D303-T410 WeakPolarHBondContact OD2-CB 3.3Å; D303-T410 PolarHBondContact OD2-OG1 2.73Å
304	V	97.6	Very high	92.9	Very high	12 Å²	12	26.6 Å²	26.6	7%	0.073	16%	0.158	C	C	.	.			trans	-133	23.9	177.9	-53.6	0	0	0	0	111.5	I302 I313 T337 F338 I368 A370 E371	I302-V304 HydrophobicContact CG2-CG1 4.16Å; V304-I313 HydrophobicContact CG1-CD1 4.4Å; V304-T337 HydrophobicContact CG1-CG2 3.75Å; V304-F338 WeakPolarHBondContact CG2-O 3.27Å; V304-F338 PolarHBondContact N-O 3.06Å; V304-I368 HydrophobicContact CB-CG2 4.04Å; V304-I368 HydrophobicContact CG1-CG2 3.36Å; V304-A370 CarbonylContact O-C 3.58Å; V304-A370 WeakPolarHBondContact O-CA 3.26Å; V304-E371 PolarHBondContact O-N 3.05Å
305	S	91.6	Very high	93.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	16%	0.16	C	C	.	.	S	Bend	trans	-63.3	171.6	173	63.4	0	0	0	0	113.2	D303 S307 M308 E371 W373 T374	D303-S305 WeakPolarHBondContact OD1-CB 3.45Å; D303-S305 PolarHBondContact OD1-N 3.43Å; D303-S305 PolarHBondContact OD1-OG 3.13Å; S305-S307 VanDerWaalsContact C-N 3.26Å; S305-S307 PolarHBondContact O-N 2.76Å; S305-S307 PolarHBondContact OG-OG 2.88Å; S305-S307 VanDerWaalsContact OG-OG 3.07Å; S305-M308 PolarHBondContact O-N 2.73Å; S305-E371 WeakPolarHBondContact CA-O 3.45Å; S305-W373 WeakPolarHBondContact CB-O 3.22Å; S305-T374 VanDerWaalsContact CB-OG1 3.27Å; S305-T374 WeakPolarHBondContact CB-OG1 3.4Å; S305-T374 PolarHBondContact OG-OG1 2.85Å
306	G	85.7	Confident	93.4	Very high	29 Å²	29	25.3 Å²	25.3	30%	0.299	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-63.3	-21.8	-176.8	0	0	0	0	0	115.8	I309 G372	G306-I309 WeakPolarHBondContact O-CB 3.42Å; G306-I309 WeakPolarHBondContact O-CD1 3.4Å; G306-I309 WeakPolarHBondContact O-CG1 3.28Å; G306-I309 PolarHBondContact O-N 2.91Å; G306-G372 PolarHBondContact N-O 3.36Å
307	S	87.4	Confident	93.6	Very high	55 Å²	55	27.6 Å²	27.6	39%	0.385	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-69.8	-32	176.9	40.2	0	0	0	0	112.7	S305 I309 D411	S305-S307 VanDerWaalsContact C-N 3.26Å; S305-S307 PolarHBondContact O-N 2.76Å; S305-S307 PolarHBondContact OG-OG 2.88Å; S305-S307 VanDerWaalsContact OG-OG 3.07Å; S307-I309 PolarHBondContact O-N 3.46Å; S307-I309 VanDerWaalsContact O-N 3.08Å; S307-D411 WeakPolarHBondContact CB-OD1 3.19Å; S307-D411 WeakPolarHBondContact CB-OD2 3.34Å; S307-D411 PolarHBondContact OG-OD1 2.88Å; S307-D411 PolarHBondContact OG-OD2 2.78Å
308	M	89.6	Confident	93.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-65.9	-10.5	176.8	-73.5	-73.1	-100.8	0	0	114.2	D303 S305 G310 K312 I313 A370 L409 D411 F442	D303-M308 VanDerWaalsContact O-CE 3.27Å; D303-M308 WeakPolarHBondContact O-CE 3.33Å; S305-M308 PolarHBondContact O-N 2.73Å; M308-G310 PolarHBondContact O-N 3.42Å; M308-K312 HydrophobicContact SD-CB 3.7Å; M308-K312 HydrophobicContact SD-CD 4.31Å; M308-I313 HydrophobicContact CB-CB 4.24Å; M308-I313 HydrophobicContact CE-CD1 4.41Å; M308-I313 WeakPolarHBondContact O-CB 3.49Å; M308-I313 VanDerWaalsContact O-CG2 3.24Å; M308-I313 WeakPolarHBondContact O-CG2 3.42Å; M308-I313 PolarHBondContact O-N 3.33Å; M308-A370 HydrophobicContact CB-CB 3.99Å; M308-L409 HydrophobicContact CE-CD2 4.36Å; M308-D411 HydrophobicContact CG-CB 4.36Å; M308-D411 WeakPolarHBondContact CG-OD1 3.34Å; M308-D411 PolarHBondContact N-OD2 3.07Å; M308-D411 HydrophobicContact SD-CB 3.71Å; M308-F442 HydrophobicContact CE-CD1 4.49Å; M308-F442 HydrophobicContact SD-CD1 4.47Å
309	I	88.3	Confident	93.8	Very high	112 Å²	112	32.3 Å²	32.3	57%	0.574	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	124.8	179.2	-65.6	172.4	0	0	0	110.7	G306 S307 A370	G306-I309 WeakPolarHBondContact O-CB 3.42Å; G306-I309 WeakPolarHBondContact O-CD1 3.4Å; G306-I309 WeakPolarHBondContact O-CG1 3.28Å; G306-I309 PolarHBondContact O-N 2.91Å; S307-I309 PolarHBondContact O-N 3.46Å; S307-I309 VanDerWaalsContact O-N 3.08Å; I309-A370 HydrophobicContact CB-CB 4.46Å; I309-A370 WeakPolarHBondContact CD1-O 3.49Å; I309-A370 HydrophobicContact CG1-CB 3.61Å; I309-A370 VanDerWaalsContact CG1-O 3.24Å; I309-A370 WeakPolarHBondContact CG1-O 3.3Å
310	G	89.6	Confident	93.8	Very high	30 Å²	30	32.9 Å²	32.9	31%	0.309	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	126.4	-112.9	171.5	0	0	0	0	0	112.5	M308 K314	M308-G310 PolarHBondContact O-N 3.42Å; G310-K314 VanDerWaalsContact O-CD 3.28Å; G310-K314 WeakPolarHBondContact O-CD 3.47Å; G310-K314 VanDerWaalsContact O-CE 3.26Å; G310-K314 WeakPolarHBondContact O-CE 3.44Å; G310-K314 VanDerWaalsContact O-CG 3.31Å; G310-K314 WeakPolarHBondContact O-CG 3.27Å; G310-K314 PolarHBondContact O-NZ 2.93Å
311	T	89.1	Confident	93.8	Very high	83 Å²	83	36.5 Å²	36.5	51%	0.509	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-47.4	177.2	36.2	0	0	0	0	111.6	I313 K314 Q315	T311-I313 PolarHBondContact O-N 2.73Å; T311-K314 WeakPolarHBondContact O-CA 3.38Å; T311-K314 WeakPolarHBondContact O-CB 3.36Å; T311-K314 PolarHBondContact O-N 3.35Å; T311-Q315 PolarHBondContact O-N 2.81Å; T311-Q315 PolarHBondContact O-OE1 3.28Å
312	K	91.5	Very high	93.6	Very high	13 Å²	13	39.4 Å²	39.4	6%	0.057	22%	0.22	C	C	.	.	H	α-helix	trans	-50	-59.9	-173.7	-43.9	-163.4	-144.4	-166.9	0	112.2	M308 K314 Q315 T316 D411 F442 E467	M308-K312 HydrophobicContact SD-CB 3.7Å; M308-K312 HydrophobicContact SD-CD 4.31Å; K312-K314 VanDerWaalsContact C-N 3.26Å; K312-K314 PolarHBondContact O-N 2.88Å; K312-K314 VanDerWaalsContact O-N 3.17Å; K312-Q315 PolarHBondContact O-N 2.96Å; K312-Q315 VanDerWaalsContact O-N 3.09Å; K312-T316 PolarHBondContact O-N 3Å; K312-T316 PolarHBondContact O-OG1 2.82Å; K312-T316 VanDerWaalsContact O-OG1 3.12Å; K312-D411 HydrophobicContact CD-CB 3.78Å; K312-D411 WeakPolarHBondContact CD-OD2 3.4Å; K312-D411 WeakPolarHBondContact CE-OD2 3.44Å; K312-D411 IonicContact NZ-OD2 2.72Å; K312-D411 PolarHBondContact NZ-OD2 2.89Å; K312-F442 HydrophobicContact CB-CD1 4.13Å; K312-F442 HydrophobicContact CB-CE1 3.87Å; K312-F442 HydrophobicContact CB-CE2 4.44Å; K312-F442 HydrophobicContact CB-CZ 4.03Å; K312-F442 HydrophobicContact CD-CD2 4.48Å; K312-F442 HydrophobicContact CG-CE2 4.45Å; K312-F442 HydrophobicContact CG-CZ 4.49Å; K312-F442 WeakPolarHBondContact O-CE1 3.34Å; K312-E467 HydrophobicContact CD-CG 4.24Å; K312-E467 WeakPolarHBondContact CE-OE1 3.2Å; K312-E467 WeakPolarHBondContact CE-OE2 3.25Å; K312-E467 HydrophobicContact CG-CG 4.44Å; K312-E467 IonicContact NZ-OE1 2.66Å; K312-E467 PolarHBondContact NZ-OE1 2.82Å; K312-E467 IonicContact NZ-OE2 3.25Å
313	I	94.8	Very high	93.6	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.077	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-29.3	179.1	-163.5	62.1	0	0	0	114.1	V304 M308 T311 K317 I368 A370	V304-I313 HydrophobicContact CG1-CD1 4.4Å; M308-I313 HydrophobicContact CB-CB 4.24Å; M308-I313 HydrophobicContact CE-CD1 4.41Å; M308-I313 WeakPolarHBondContact O-CB 3.49Å; M308-I313 VanDerWaalsContact O-CG2 3.24Å; M308-I313 WeakPolarHBondContact O-CG2 3.42Å; M308-I313 PolarHBondContact O-N 3.33Å; T311-I313 PolarHBondContact O-N 2.73Å; I313-K317 WeakPolarHBondContact O-CB 3.38Å; I313-K317 VanDerWaalsContact O-CG 3.26Å; I313-K317 WeakPolarHBondContact O-CG 3.46Å; I313-K317 PolarHBondContact O-N 2.91Å; I313-I368 HydrophobicContact CD1-CG2 3.97Å; I313-I368 HydrophobicContact CG1-CG2 4.5Å; I313-A370 HydrophobicContact CB-CB 4.27Å; I313-A370 HydrophobicContact CG1-CB 4.23Å; I313-A370 HydrophobicContact CG2-CB 4.28Å
314	K	94.8	Very high	93.6	Very high	137 Å²	137	39.6 Å²	39.6	60%	0.596	22%	0.221	S	C	*	.	H	α-helix	trans	-70.9	-43.4	175.9	-65.4	178.8	-171.2	115.3	0	110.9	G310 T311 K312 K317 Q318	G310-K314 VanDerWaalsContact O-CD 3.28Å; G310-K314 WeakPolarHBondContact O-CD 3.47Å; G310-K314 VanDerWaalsContact O-CE 3.26Å; G310-K314 WeakPolarHBondContact O-CE 3.44Å; G310-K314 VanDerWaalsContact O-CG 3.31Å; G310-K314 WeakPolarHBondContact O-CG 3.27Å; G310-K314 PolarHBondContact O-NZ 2.93Å; T311-K314 WeakPolarHBondContact O-CA 3.38Å; T311-K314 WeakPolarHBondContact O-CB 3.36Å; T311-K314 PolarHBondContact O-N 3.35Å; K312-K314 VanDerWaalsContact C-N 3.26Å; K312-K314 PolarHBondContact O-N 2.88Å; K312-K314 VanDerWaalsContact O-N 3.17Å; K314-K317 PolarHBondContact O-N 3.1Å; K314-Q318 WeakPolarHBondContact O-CB 3.35Å; K314-Q318 PolarHBondContact O-N 3.25Å
315	Q	93	Very high	93.5	Very high	18 Å²	18	41 Å²	41	8%	0.084	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-38.4	178	-72.4	168	-57.7	0	0	111.3	T311 K312 Q318 A319 F442 E468 A469 A471 A472	T311-Q315 PolarHBondContact O-N 2.81Å; T311-Q315 PolarHBondContact O-OE1 3.28Å; K312-Q315 PolarHBondContact O-N 2.96Å; K312-Q315 VanDerWaalsContact O-N 3.09Å; Q315-Q318 PolarHBondContact O-N 2.83Å; Q315-A319 WeakPolarHBondContact O-CB 3.37Å; Q315-A319 PolarHBondContact O-N 3.06Å; Q315-F442 HydrophobicContact CB-CE1 4.47Å; Q315-F442 HydrophobicContact CB-CZ 4.1Å; Q315-E468 PolarHBondContact NE2-O 2.98Å; Q315-A469 PolarHBondContact NE2-O 3.35Å; Q315-A469 VanDerWaalsContact NE2-O 3.13Å; Q315-A471 HydrophobicContact CB-CB 4.44Å; Q315-A472 HydrophobicContact CB-CB 4.04Å; Q315-A472 HydrophobicContact CG-CB 4.33Å
316	T	96.6	Very high	93.7	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-50.4	168.7	-59.6	0	0	0	0	111.8	I302 K312 Q318 A319 M320 L409 F442	I302-T316 HydrophobicContact CG2-CG2 3.79Å; K312-T316 PolarHBondContact O-N 3Å; K312-T316 PolarHBondContact O-OG1 2.82Å; K312-T316 VanDerWaalsContact O-OG1 3.12Å; T316-Q318 VanDerWaalsContact C-N 3.31Å; T316-Q318 PolarHBondContact O-N 2.86Å; T316-A319 PolarHBondContact O-N 3Å; T316-M320 HydrophobicContact CG2-CG 4.42Å; T316-M320 VanDerWaalsContact O-CB 3.3Å; T316-M320 WeakPolarHBondContact O-CB 3.2Å; T316-M320 WeakPolarHBondContact O-CG 3.16Å; T316-M320 PolarHBondContact O-N 2.88Å; T316-L409 HydrophobicContact CG2-CD2 3.51Å; T316-F442 WeakPolarHBondContact OG1-CE1 3.27Å
317	K	97.6	Very high	94.2	Very high	49 Å²	49	43.9 Å²	43.9	21%	0.213	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-39.9	175.9	-76.9	179.9	-179.6	-170.2	0	112.7	I313 K314 N321 V365 K366 I368	I313-K317 WeakPolarHBondContact O-CB 3.38Å; I313-K317 VanDerWaalsContact O-CG 3.26Å; I313-K317 WeakPolarHBondContact O-CG 3.46Å; I313-K317 PolarHBondContact O-N 2.91Å; K314-K317 PolarHBondContact O-N 3.1Å; K317-N321 WeakPolarHBondContact O-CB 3.29Å; K317-N321 PolarHBondContact O-N 2.66Å; K317-V365 HydrophobicContact CB-CG1 4.14Å; K317-V365 VanDerWaalsContact CE-O 3.22Å; K317-V365 WeakPolarHBondContact CE-O 3.29Å; K317-V365 HydrophobicContact CG-CG1 3.96Å; K317-K366 PolarHBondContact NZ-O 2.9Å; K317-I368 WeakPolarHBondContact CE-O 3.42Å; K317-I368 PolarHBondContact NZ-O 3.47Å
318	Q	95.9	Very high	94.6	Very high	111 Å²	111	46.5 Å²	46.5	52%	0.519	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-50.7	178	179.2	178.1	-20.7	0	0	111.2	K314 Q315 T316 N321 T322 A472	K314-Q318 WeakPolarHBondContact O-CB 3.35Å; K314-Q318 PolarHBondContact O-N 3.25Å; Q315-Q318 PolarHBondContact O-N 2.83Å; T316-Q318 VanDerWaalsContact C-N 3.31Å; T316-Q318 PolarHBondContact O-N 2.86Å; Q318-N321 PolarHBondContact O-N 3.15Å; Q318-T322 PolarHBondContact O-N 2.68Å; Q318-T322 PolarHBondContact O-OG1 3.08Å; Q318-A472 HydrophobicContact CB-CB 4.17Å; Q318-A472 HydrophobicContact CG-CB 4.05Å
319	A	95.9	Very high	94.7	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-49.7	175.9	0	0	0	0	0	111.2	Q315 T316 N321 T322 I323 A472 L475	Q315-A319 WeakPolarHBondContact O-CB 3.37Å; Q315-A319 PolarHBondContact O-N 3.06Å; T316-A319 PolarHBondContact O-N 3Å; A319-N321 VanDerWaalsContact C-N 3.34Å; A319-N321 PolarHBondContact O-N 2.97Å; A319-T322 WeakPolarHBondContact O-CA 3.49Å; A319-T322 WeakPolarHBondContact O-CB 3.26Å; A319-T322 PolarHBondContact O-N 3.2Å; A319-I323 HydrophobicContact CB-CD1 4.35Å; A319-I323 WeakPolarHBondContact O-CB 3.43Å; A319-I323 VanDerWaalsContact O-CG1 3.28Å; A319-I323 WeakPolarHBondContact O-CG1 3.12Å; A319-I323 PolarHBondContact O-N 3.4Å; A319-A472 HydrophobicContact CB-CB 4.41Å; A319-L475 HydrophobicContact CB-CB 3.63Å; A319-L475 HydrophobicContact CB-CD1 3.86Å; A319-L475 HydrophobicContact CB-CG 4.41Å
320	M	97.9	Very high	94.7	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.054	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-36.6	178.7	-75.5	-55.2	-56.7	0	0	113.2	F300 I302 T316 T322 I323 L324 V365	F300-M320 HydrophobicContact CB-CE 3.82Å; F300-M320 HydrophobicContact CB-SD 4.4Å; F300-M320 HydrophobicContact CD1-CE 3.64Å; F300-M320 HydrophobicContact CD1-SD 3.77Å; F300-M320 HydrophobicContact CD2-CE 3.75Å; F300-M320 HydrophobicContact CE1-CE 4.1Å; F300-M320 HydrophobicContact CE1-SD 4.25Å; F300-M320 HydrophobicContact CE2-CE 4.21Å; F300-M320 HydrophobicContact CG-CE 3.44Å; F300-M320 VanDerWaalsContact CG-CE 3.44Å; F300-M320 HydrophobicContact CG-SD 4.12Å; F300-M320 HydrophobicContact CZ-CE 4.36Å; I302-M320 HydrophobicContact CD1-CE 4.25Å; I302-M320 HydrophobicContact CD1-CG 3.8Å; I302-M320 HydrophobicContact CD1-SD 4.09Å; T316-M320 HydrophobicContact CG2-CG 4.42Å; T316-M320 VanDerWaalsContact O-CB 3.3Å; T316-M320 WeakPolarHBondContact O-CB 3.2Å; T316-M320 WeakPolarHBondContact O-CG 3.16Å; T316-M320 PolarHBondContact O-N 2.88Å; M320-T322 VanDerWaalsContact C-N 3.3Å; M320-T322 PolarHBondContact O-N 2.68Å; M320-I323 HydrophobicContact SD-CD1 4.29Å; M320-L324 HydrophobicContact CE-CD1 4.35Å; M320-L324 HydrophobicContact CE-CD2 4.22Å; M320-L324 HydrophobicContact CE-CG 4.04Å; M320-L324 VanDerWaalsContact O-CB 3.27Å; M320-L324 WeakPolarHBondContact O-CB 3.29Å; M320-L324 WeakPolarHBondContact O-CD1 3.45Å; M320-L324 WeakPolarHBondContact O-CG 3.19Å; M320-L324 PolarHBondContact O-N 3.45Å; M320-V365 HydrophobicContact CB-CG1 3.91Å; M320-V365 HydrophobicContact CB-CG2 4.32Å
321	N	96.7	Very high	95	Very high	79 Å²	79	46.2 Å²	46.2	42%	0.422	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-37.6	172.4	176.2	45.1	0	0	0	111.7	K317 Q318 A319 K362	K317-N321 WeakPolarHBondContact O-CB 3.29Å; K317-N321 PolarHBondContact O-N 2.66Å; Q318-N321 PolarHBondContact O-N 3.15Å; A319-N321 VanDerWaalsContact C-N 3.34Å; A319-N321 PolarHBondContact O-N 2.97Å; N321-K362 WeakPolarHBondContact O-CE 3.38Å; N321-K362 PolarHBondContact O-NZ 3.31Å; N321-K362 WeakPolarHBondContact OD1-CD 3.25Å; N321-K362 WeakPolarHBondContact OD1-CE 3.06Å; N321-K362 PolarHBondContact OD1-NZ 2.85Å
322	T	96.3	Very high	95.2	Very high	61 Å²	61	43.7 Å²	43.7	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-70.6	-53.7	174.4	-45.1	0	0	0	0	111	Q318 A319 M320 L324 G325 D326 K476	Q318-T322 PolarHBondContact O-N 2.68Å; Q318-T322 PolarHBondContact O-OG1 3.08Å; A319-T322 WeakPolarHBondContact O-CA 3.49Å; A319-T322 WeakPolarHBondContact O-CB 3.26Å; A319-T322 PolarHBondContact O-N 3.2Å; M320-T322 VanDerWaalsContact C-N 3.3Å; M320-T322 PolarHBondContact O-N 2.68Å; T322-L324 VanDerWaalsContact C-N 3.32Å; T322-L324 PolarHBondContact O-N 2.91Å; T322-G325 WeakPolarHBondContact O-CA 3.19Å; T322-G325 PolarHBondContact O-N 2.8Å; T322-D326 PolarHBondContact O-N 3Å; T322-K476 HydrophobicContact CG2-CD 4.1Å; T322-K476 VanDerWaalsContact CG2-CE 3.42Å
323	I	97.6	Very high	95.5	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-53.5	-44.4	-178.5	-68.7	167	0	0	0	112.2	F300 A319 M320 G325 D326 L327 K476 Y479	F300-I323 HydrophobicContact CE1-CG2 3.62Å; F300-I323 HydrophobicContact CZ-CG2 3.56Å; A319-I323 HydrophobicContact CB-CD1 4.35Å; A319-I323 WeakPolarHBondContact O-CB 3.43Å; A319-I323 VanDerWaalsContact O-CG1 3.28Å; A319-I323 WeakPolarHBondContact O-CG1 3.12Å; A319-I323 PolarHBondContact O-N 3.4Å; M320-I323 HydrophobicContact SD-CD1 4.29Å; I323-G325 PolarHBondContact O-N 2.98Å; I323-D326 PolarHBondContact O-N 2.88Å; I323-L327 PolarHBondContact O-N 2.9Å; I323-K476 HydrophobicContact CG1-CD 3.78Å; I323-Y479 HydrophobicContact CB-CD1 4.3Å; I323-Y479 HydrophobicContact CB-CG 4.36Å; I323-Y479 HydrophobicContact CD1-CG 4.19Å; I323-Y479 HydrophobicContact CG1-CD1 3.89Å; I323-Y479 HydrophobicContact CG1-CG 3.84Å; I323-Y479 HydrophobicContact CG2-CD1 3.93Å; I323-Y479 HydrophobicContact CG2-CD2 3.65Å; I323-Y479 HydrophobicContact CG2-CE1 4.02Å; I323-Y479 HydrophobicContact CG2-CE2 3.77Å; I323-Y479 HydrophobicContact CG2-CG 3.74Å
324	L	97.9	Very high	95.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.7	177.1	-70.1	171.5	0	0	0	113.5	F300 M320 T322 L327 F333 I335 V358 A361 K362 V365	F300-L324 HydrophobicContact CE2-CD2 4.36Å; M320-L324 HydrophobicContact CE-CD1 4.35Å; M320-L324 HydrophobicContact CE-CD2 4.22Å; M320-L324 HydrophobicContact CE-CG 4.04Å; M320-L324 VanDerWaalsContact O-CB 3.27Å; M320-L324 WeakPolarHBondContact O-CB 3.29Å; M320-L324 WeakPolarHBondContact O-CD1 3.45Å; M320-L324 WeakPolarHBondContact O-CG 3.19Å; M320-L324 PolarHBondContact O-N 3.45Å; T322-L324 VanDerWaalsContact C-N 3.32Å; T322-L324 PolarHBondContact O-N 2.91Å; L324-L327 HydrophobicContact CD2-CD1 3.84Å; L324-F333 HydrophobicContact CD2-CD2 3.8Å; L324-F333 HydrophobicContact CD2-CE2 3.53Å; L324-F333 HydrophobicContact CD2-CZ 4.34Å; L324-I335 HydrophobicContact CD1-CD1 3.96Å; L324-I335 HydrophobicContact CD2-CD1 4.21Å; L324-V358 WeakPolarHBondContact O-CG1 3.31Å; L324-V358 WeakPolarHBondContact O-CG2 3.5Å; L324-A361 HydrophobicContact CD1-CB 3.97Å; L324-A361 HydrophobicContact CD2-CB 4.34Å; L324-K362 HydrophobicContact CB-CG 4.17Å; L324-K362 HydrophobicContact CD1-CG 4.03Å; L324-V365 HydrophobicContact CD1-CG2 3.9Å
325	G	96.3	Very high	95.8	Very high	42 Å²	42	35.9 Å²	35.9	43%	0.433	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-26.1	171.6	0	0	0	0	0	113.5	T322 I323	T322-G325 WeakPolarHBondContact O-CA 3.19Å; T322-G325 PolarHBondContact O-N 2.8Å; I323-G325 PolarHBondContact O-N 2.98Å
326	D	95.8	Very high	96.1	Very high	78 Å²	78	35 Å²	35	42%	0.417	19%	0.189	S	C	.	.	S	Bend	trans	-99.8	9.1	-172.7	-61.4	-1.9	0	0	0	112.5	T322 I323 K476 Y479	T322-D326 PolarHBondContact O-N 3Å; I323-D326 PolarHBondContact O-N 2.88Å; D326-K476 WeakPolarHBondContact OD2-CE 3.41Å; D326-K476 IonicContact OD2-NZ 2.85Å; D326-K476 PolarHBondContact OD2-NZ 3.3Å; D326-Y479 HydrophobicContact CB-CE1 4.18Å; D326-Y479 PolarHBondContact O-OH 2.82Å
327	L	96.5	Very high	96.2	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	19%	0.191	C	C	.	.			trans	-72.7	132.3	168.4	-71.1	172	0	0	0	110	I298 I323 L324 F333 A353	I298-L327 HydrophobicContact CG2-CD2 3.84Å; I323-L327 PolarHBondContact O-N 2.9Å; L324-L327 HydrophobicContact CD2-CD1 3.84Å; L327-F333 HydrophobicContact CD1-CB 3.99Å; L327-F333 HydrophobicContact CD1-CD1 3.84Å; L327-F333 HydrophobicContact CD1-CD2 3.96Å; L327-F333 HydrophobicContact CD1-CE1 4.3Å; L327-F333 HydrophobicContact CD1-CE2 4.4Å; L327-F333 HydrophobicContact CD1-CG 3.65Å; L327-A353 HydrophobicContact CB-CB 3.78Å; L327-A353 HydrophobicContact CD1-CB 4.36Å
328	R	94.3	Very high	96.2	Very high	110 Å²	110	32.9 Å²	32.9	42%	0.415	18%	0.181	S	C	.	.			trans	-76.3	146.5	-179.8	-60.6	176.3	174.4	-123.8	-3.5	109.7	G330 D331 A353 N484	R328-G330 PolarHBondContact O-N 3Å; R328-D331 PolarHBondContact N-OD2 2.8Å; R328-D331 WeakPolarHBondContact O-CB 3.39Å; R328-D331 PolarHBondContact O-N 2.96Å; R328-A353 WeakPolarHBondContact O-CB 3.32Å; R328-N484 VanDerWaalsContact CZ-OD1 3.24Å; R328-N484 PolarHBondContact NE-OD1 2.81Å; R328-N484 PolarHBondContact NH2-OD1 3.25Å
329	E	91.4	Very high	96.2	Very high	99 Å²	99	28.1 Å²	28.1	46%	0.463	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-6.7	178.8	-65.7	-169.1	179.8	0	0	114.1	R352 R355	E329-R352 VanDerWaalsContact O-CZ 3.27Å; E329-R352 PolarHBondContact O-NE 3.47Å; E329-R352 PolarHBondContact O-NH2 3.09Å; E329-R355 IonicContact OE1-CZ 2.74Å; E329-R355 IonicContact OE1-NE 2.91Å; E329-R355 PolarHBondContact OE1-NE 3.39Å; E329-R355 IonicContact OE1-NH2 3.43Å; E329-R355 PolarHBondContact OE1-NH2 3.43Å
330	G	89.9	Confident	95.8	Very high	35 Å²	35	30.4 Å²	30.4	36%	0.361	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-27.1	167.9	0	0	0	0	0	114.4	R328 H332	R328-G330 PolarHBondContact O-N 3Å; G330-H332 PolarHBondContact O-ND1 3.33Å
331	D	94.4	Very high	95.5	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	19%	0.194	C	C	.	.			trans	-65.7	156.5	-175.9	-63.5	-24.2	0	0	0	111.5	K296 R328 R352 A353	K296-D331 HydrophobicContact CG-CB 4.21Å; K296-D331 WeakPolarHBondContact CG-OD1 3.41Å; K296-D331 PolarHBondContact N-OD1 2.95Å; K296-D331 IonicContact NZ-OD1 2.68Å; K296-D331 IonicContact NZ-OD2 2.78Å; K296-D331 PolarHBondContact NZ-OD2 3.47Å; K296-D331 WeakPolarHBondContact O-CA 3.23Å; R328-D331 PolarHBondContact N-OD2 2.8Å; R328-D331 WeakPolarHBondContact O-CB 3.39Å; R328-D331 PolarHBondContact O-N 2.96Å; D331-R352 CarbonylContact O-C 3.56Å; D331-R352 WeakPolarHBondContact O-CA 3.47Å; D331-A353 HydrophobicContact CB-CB 4.33Å; D331-A353 PolarHBondContact O-N 3.37Å
332	H	95	Very high	95.4	Very high	30 Å²	30	34 Å²	34	14%	0.139	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.5	166	-74.2	49.3	0	0	0	109.2	K296 D297 I298 G330 V351 R352 R402	K296-H332 PolarHBondContact O-N 2.85Å; D297-H332 CarbonylContact C-O 3.57Å; D297-H332 WeakPolarHBondContact CA-O 3.32Å; D297-H332 WeakPolarHBondContact OD1-CB 3.4Å; I298-H332 PolarHBondContact N-O 2.88Å; G330-H332 PolarHBondContact O-ND1 3.33Å; H332-V351 CarbonylContact C-O 3.59Å; H332-V351 VanDerWaalsContact CA-O 3.3Å; H332-V351 WeakPolarHBondContact CA-O 2.96Å; H332-R352 PolarHBondContact CD2-N 3.06Å; H332-R402 PolarHBondContact CD2-NH1 3.29Å; H332-R402 VanDerWaalsContact CE1-CZ 3.49Å; H332-R402 PolarHBondContact CE1-NH2 3.41Å; H332-R402 PolarHBondContact ND1-NH1 3.48Å; H332-R402 PolarHBondContact NE2-NH1 3.05Å; H332-R402 PolarHBondContact NE2-NH2 3.26Å; H332-R402 VanDerWaalsContact NE2-NH2 3.19Å
333	F	97.4	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	166.6	-178.2	79.7	-72.3	0	0	0	113.2	I298 F300 L324 L327 I335 W345 V351 A353 N357 A361	I298-F333 HydrophobicContact CG2-CB 3.88Å; I298-F333 CarbonylContact O-C 3.59Å; I298-F333 WeakPolarHBondContact O-CA 3.18Å; I298-F333 WeakPolarHBondContact O-CB 3.48Å; F300-F333 HydrophobicContact CE2-CB 4.48Å; L324-F333 HydrophobicContact CD2-CD2 3.8Å; L324-F333 HydrophobicContact CD2-CE2 3.53Å; L324-F333 HydrophobicContact CD2-CZ 4.34Å; L327-F333 HydrophobicContact CD1-CB 3.99Å; L327-F333 HydrophobicContact CD1-CD1 3.84Å; L327-F333 HydrophobicContact CD1-CD2 3.96Å; L327-F333 HydrophobicContact CD1-CE1 4.3Å; L327-F333 HydrophobicContact CD1-CE2 4.4Å; L327-F333 HydrophobicContact CD1-CG 3.65Å; F333-I335 HydrophobicContact CD2-CG1 4.44Å; F333-I335 HydrophobicContact CE2-CG1 4.41Å; F333-W345 HydrophobicContact CD2-CZ3 4.26Å; F333-W345 HydrophobicContact CE1-CH2 4.35Å; F333-W345 HydrophobicContact CE1-CZ3 4.16Å; F333-W345 HydrophobicContact CE2-CE3 4.13Å; F333-W345 HydrophobicContact CE2-CH2 4.08Å; F333-W345 AromaticContact CE2-CZ3 3.47Å; F333-W345 HydrophobicContact CE2-CZ3 3.47Å; F333-W345 VanDerWaalsContact CE2-CZ3 3.47Å; F333-W345 HydrophobicContact CZ-CE3 4.46Å; F333-W345 AromaticContact CZ-CH2 3.6Å; F333-W345 HydrophobicContact CZ-CH2 3.6Å; F333-W345 AromaticContact CZ-CZ3 3.41Å; F333-W345 HydrophobicContact CZ-CZ3 3.41Å; F333-W345 VanDerWaalsContact CZ-CZ3 3.41Å; F333-V351 WeakPolarHBondContact CD1-O 3.33Å; F333-V351 HydrophobicContact CE1-CG2 4.24Å; F333-V351 PolarHBondContact N-O 2.92Å; F333-V351 PolarHBondContact O-N 2.84Å; F333-A353 HydrophobicContact CD1-CB 4.05Å; F333-A353 HydrophobicContact CE1-CB 4.26Å; F333-N357 HydrophobicContact CE1-CB 4.22Å; F333-A361 HydrophobicContact CE2-CB 3.53Å; F333-A361 HydrophobicContact CZ-CB 3.64Å
334	N	97.8	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	168.6	164.3	-149.9	-18.7	0	0	0	110.4	I298 I299 F300 K346 R349 T350 L386	I298-N334 PolarHBondContact O-N 3.4Å; I298-N334 VanDerWaalsContact O-N 3.08Å; I299-N334 HydrophobicContact CG1-CB 4.5Å; F300-N334 PolarHBondContact N-O 3.14Å; N334-K346 PolarHBondContact ND2-O 2.73Å; N334-K346 PolarHBondContact OD1-N 2.76Å; N334-R349 PolarHBondContact ND2-O 2.94Å; N334-T350 HydrophobicContact CB-CG2 4.16Å; N334-L386 HydrophobicContact CB-CD1 4.12Å; N334-L386 WeakPolarHBondContact ND2-CD1 3.48Å
335	I	98.5	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.9	175.3	-50.3	179.1	0	0	0	108.3	F300 I302 L324 F333 W345 A361 F364 V365	F300-I335 WeakPolarHBondContact O-CA 3.44Å; I302-I335 HydrophobicContact CD1-CG2 4.02Å; L324-I335 HydrophobicContact CD1-CD1 3.96Å; L324-I335 HydrophobicContact CD2-CD1 4.21Å; F333-I335 HydrophobicContact CD2-CG1 4.44Å; F333-I335 HydrophobicContact CE2-CG1 4.41Å; I335-W345 HydrophobicContact CB-CB 4.2Å; I335-W345 PolarHBondContact O-N 2.87Å; I335-A361 HydrophobicContact CD1-CB 4.03Å; I335-F364 HydrophobicContact CB-CD1 4.33Å; I335-F364 HydrophobicContact CB-CE1 4.11Å; I335-F364 HydrophobicContact CD1-CD1 4.33Å; I335-F364 HydrophobicContact CG2-CD1 4.25Å; I335-F364 HydrophobicContact CG2-CE1 3.81Å; I335-V365 HydrophobicContact CD1-CG2 3.61Å
336	I	98.4	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.9	166.3	-68.3	171	0	0	0	107	I299 F300 V301 I302 V342 H343 T344 A383 L386	I299-I336 HydrophobicContact CG2-CD1 4.04Å; I299-I336 HydrophobicContact CG2-CG1 4.31Å; F300-I336 PolarHBondContact O-N 3.23Å; V301-I336 WeakPolarHBondContact CA-O 3.49Å; V301-I336 HydrophobicContact CG1-CB 4.36Å; V301-I336 HydrophobicContact CG1-CG2 4.13Å; V301-I336 HydrophobicContact CG2-CB 4.37Å; V301-I336 HydrophobicContact CG2-CD1 4.39Å; I302-I336 PolarHBondContact N-O 3.07Å; I336-V342 HydrophobicContact CG2-CG1 3.51Å; I336-H343 WeakPolarHBondContact CA-O 3.5Å; I336-T344 HydrophobicContact CG1-CG2 4.04Å; I336-A383 HydrophobicContact CD1-CB 3.96Å; I336-L386 HydrophobicContact CD1-CD1 3.82Å; I336-L386 HydrophobicContact CG1-CD1 4.14Å
337	T	98.3	Very high	94.8	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.4	163.9	49.9	0	0	0	0	109.3	I302 V304 H343 F364 I368	I302-T337 HydrophobicContact CB-CG2 4.4Å; I302-T337 CarbonylContact O-C 2.96Å; I302-T337 VanDerWaalsContact O-CA 3.25Å; I302-T337 WeakPolarHBondContact O-CA 3.31Å; V304-T337 HydrophobicContact CG1-CG2 3.75Å; T337-H343 PolarHBondContact N-O 3.13Å; T337-H343 PolarHBondContact O-N 2.85Å; T337-H343 PolarHBondContact OG1-O 2.93Å; T337-F364 HydrophobicContact CG2-CE1 4.03Å; T337-F364 HydrophobicContact CG2-CZ 4.24Å; T337-I368 HydrophobicContact CG2-CD1 3.47Å; T337-I368 VanDerWaalsContact CG2-CD1 3.47Å; T337-I368 HydrophobicContact CG2-CG1 3.87Å; T337-I368 HydrophobicContact CG2-CG2 4.45Å
338	F	98.2	Very high	94	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.1	-179.8	74.8	-83.2	0	0	0	113.6	V301 I302 D303 V304 K341 V342 T374 I376 A379 F408	V301-F338 HydrophobicContact CG1-CD1 3.78Å; V301-F338 HydrophobicContact CG1-CE1 3.94Å; I302-F338 WeakPolarHBondContact O-CD1 3.46Å; I302-F338 PolarHBondContact O-N 3.47Å; D303-F338 VanDerWaalsContact CA-CE1 3.48Å; D303-F338 HydrophobicContact CB-CE1 3.82Å; D303-F338 HydrophobicContact CB-CE2 4.27Å; D303-F338 HydrophobicContact CB-CZ 3.62Å; D303-F338 VanDerWaalsContact N-CE1 3.28Å; V304-F338 WeakPolarHBondContact CG2-O 3.27Å; V304-F338 PolarHBondContact N-O 3.06Å; F338-K341 CarbonylContact C-O 3.44Å; F338-K341 WeakPolarHBondContact CA-O 3.43Å; F338-V342 HydrophobicContact CB-CG2 4.25Å; F338-T374 HydrophobicContact CE2-CG2 3.81Å; F338-I376 HydrophobicContact CE2-CG1 4.17Å; F338-A379 HydrophobicContact CB-CB 3.62Å; F338-A379 HydrophobicContact CD1-CB 3.58Å; F338-A379 HydrophobicContact CD2-CB 3.84Å; F338-A379 HydrophobicContact CE1-CB 4.17Å; F338-A379 HydrophobicContact CE2-CB 4.4Å; F338-A379 HydrophobicContact CG-CB 3.39Å; F338-F408 HydrophobicContact CE1-CE1 4.41Å; F338-F408 AromaticContact CE1-CE2 3.77Å; F338-F408 HydrophobicContact CE1-CE2 3.77Å; F338-F408 AromaticContact CE1-CZ 3.66Å; F338-F408 HydrophobicContact CE1-CZ 3.66Å; F338-F408 HydrophobicContact CE2-CZ 4.14Å; F338-F408 HydrophobicContact CZ-CE1 4.02Å; F338-F408 AromaticContact CZ-CE2 3.9Å; F338-F408 HydrophobicContact CZ-CE2 3.9Å; F338-F408 AromaticContact CZ-CZ 3.32Å; F338-F408 HydrophobicContact CZ-CZ 3.32Å
339	S	95.2	Very high	93.3	Very high	11 Å²	11	50.3 Å²	50.3	8%	0.077	25%	0.254	C	S	.	.	S	Bend	trans	-128.5	-129.9	167.6	62	0	0	0	0	107.8	K341 E371 W373 N375	S339-K341 PolarHBondContact N-O 2.86Å; S339-K341 PolarHBondContact O-N 2.99Å; S339-K341 PolarHBondContact OG-N 3.27Å; S339-E371 VanDerWaalsContact CB-O 3.24Å; S339-E371 WeakPolarHBondContact CB-O 3.45Å; S339-W373 CarbonylContact C-O 3.58Å; S339-W373 WeakPolarHBondContact CA-O 3.39Å; S339-W373 WeakPolarHBondContact CB-O 3.42Å; S339-N375 WeakPolarHBondContact O-CB 3.37Å; S339-N375 PolarHBondContact O-N 2.82Å
340	D	87.8	Confident	93.4	Very high	50 Å²	50	46.2 Å²	46.2	27%	0.267	24%	0.235	S	C	.	.	S	Bend	trans	-56.4	-31.1	154	60.7	-57.1	0	0	0	112.7	W373 T416	D340-W373 HydrophobicContact CB-CB 4.26Å; D340-W373 PolarHBondContact N-O 3.12Å; D340-W373 VanDerWaalsContact N-O 3.08Å; D340-T416 HydrophobicContact CB-CG2 4.06Å
341	K	91.1	Very high	93.5	Very high	123 Å²	123	45.3 Å²	45.3	54%	0.535	22%	0.223	S	C	.	.	S	Bend	trans	-113.6	152.2	-179.5	-67.9	168.7	-168.9	89.4	0	111	F338 S339	F338-K341 CarbonylContact C-O 3.44Å; F338-K341 WeakPolarHBondContact CA-O 3.43Å; S339-K341 PolarHBondContact N-O 2.86Å; S339-K341 PolarHBondContact O-N 2.99Å; S339-K341 PolarHBondContact OG-N 3.27Å
342	V	96.4	Very high	93.6	Very high	42 Å²	42	51.4 Å²	51.4	26%	0.255	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.8	176.3	-172.6	0	0	0	0	110.1	I336 F338 A378	I336-V342 HydrophobicContact CG2-CG1 3.51Å; F338-V342 HydrophobicContact CB-CG2 4.25Å; V342-A378 HydrophobicContact CG2-CB 3.59Å
343	H	96.2	Very high	93.7	Very high	110 Å²	110	50 Å²	50	51%	0.509	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	110.6	-176.4	-70.2	-8.5	0	0	0	111.1	I336 T337	I336-H343 WeakPolarHBondContact CA-O 3.5Å; T337-H343 PolarHBondContact N-O 3.13Å; T337-H343 PolarHBondContact O-N 2.85Å; T337-H343 PolarHBondContact OG1-O 2.93Å
344	T	96.6	Very high	93.7	Very high	34 Å²	34	52.5 Å²	52.5	21%	0.209	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.4	177.2	-38	0	0	0	0	111.3	I336 K346 L386	I336-T344 HydrophobicContact CG1-CG2 4.04Å; T344-K346 VanDerWaalsContact CG2-O 3.3Å; T344-K346 WeakPolarHBondContact CG2-O 3.34Å; T344-L386 HydrophobicContact CG2-CD1 3.75Å; T344-L386 HydrophobicContact CG2-CD2 4.28Å
345	W	96.5	Very high	93.6	Very high	35 Å²	35	61.7 Å²	61.7	13%	0.133	29%	0.29	C	S	.	.	S	Bend	trans	-64.1	-42.7	-179.6	169.1	58.6	0	0	0	113.8	F333 I335 V351 N357 E360 A361 F364	F333-W345 HydrophobicContact CD2-CZ3 4.26Å; F333-W345 HydrophobicContact CE1-CH2 4.35Å; F333-W345 HydrophobicContact CE1-CZ3 4.16Å; F333-W345 HydrophobicContact CE2-CE3 4.13Å; F333-W345 HydrophobicContact CE2-CH2 4.08Å; F333-W345 AromaticContact CE2-CZ3 3.47Å; F333-W345 HydrophobicContact CE2-CZ3 3.47Å; F333-W345 VanDerWaalsContact CE2-CZ3 3.47Å; F333-W345 HydrophobicContact CZ-CE3 4.46Å; F333-W345 AromaticContact CZ-CH2 3.6Å; F333-W345 HydrophobicContact CZ-CH2 3.6Å; F333-W345 AromaticContact CZ-CZ3 3.41Å; F333-W345 HydrophobicContact CZ-CZ3 3.41Å; F333-W345 VanDerWaalsContact CZ-CZ3 3.41Å; I335-W345 HydrophobicContact CB-CB 4.2Å; I335-W345 PolarHBondContact O-N 2.87Å; W345-V351 HydrophobicContact CH2-CG2 3.79Å; W345-V351 HydrophobicContact CZ3-CG2 3.51Å; W345-N357 HydrophobicContact CH2-CB 4.14Å; W345-N357 VanDerWaalsContact CH2-O 3.27Å; W345-N357 WeakPolarHBondContact CH2-O 3.32Å; W345-N357 WeakPolarHBondContact CZ2-O 3.16Å; W345-E360 HydrophobicContact CZ2-CB 3.74Å; W345-A361 HydrophobicContact CD2-CB 4.37Å; W345-A361 HydrophobicContact CE3-CB 4.33Å; W345-A361 HydrophobicContact CH2-CB 3.8Å; W345-A361 HydrophobicContact CZ2-CB 3.82Å; W345-A361 HydrophobicContact CZ3-CB 4.05Å; W345-F364 HydrophobicContact CB-CD1 3.95Å; W345-F364 HydrophobicContact CB-CD2 4.19Å; W345-F364 HydrophobicContact CB-CE1 3.93Å; W345-F364 HydrophobicContact CB-CE2 4.17Å; W345-F364 HydrophobicContact CB-CG 4.08Å; W345-F364 HydrophobicContact CB-CZ 4.05Å; W345-F364 AromaticContact CD1-CD2 3.64Å; W345-F364 AromaticContact CD1-CG 3.49Å; W345-F364 VanDerWaalsContact CD1-CG 3.49Å; W345-F364 HydrophobicContact CG-CB 4.22Å; W345-F364 HydrophobicContact CG-CD1 4.13Å; W345-F364 HydrophobicContact CG-CD2 4.23Å; W345-F364 AromaticContact CG-CG 3.93Å; W345-F364 HydrophobicContact CG-CG 3.93Å
346	K	93.7	Very high	93.6	Very high	58 Å²	58	66.4 Å²	66.4	25%	0.252	31%	0.312	S	S	.	.	S	Bend	trans	-123.8	116.7	170.5	-61.1	-73.7	179	171.8	0	109.1	N334 T344 V351 E360	N334-K346 PolarHBondContact ND2-O 2.73Å; N334-K346 PolarHBondContact OD1-N 2.76Å; T344-K346 VanDerWaalsContact CG2-O 3.3Å; T344-K346 WeakPolarHBondContact CG2-O 3.34Å; K346-V351 HydrophobicContact CB-CG1 4.11Å; K346-V351 HydrophobicContact CG-CG1 4.01Å; K346-V351 HydrophobicContact CG-CG2 4.17Å; K346-E360 IonicContact NZ-OE2 3.59Å; K346-E360 PolarHBondContact NZ-OE2 3.41Å
347	K	87.1	Confident	93.5	Very high	190 Å²	190	67.9 Å²	67.9	83%	0.826	32%	0.319	S	S	*	.	S	Bend	trans	-72.7	147.2	-176.9	-65.7	-171.9	177.6	-174.4	0	112.2	R349	K347-R349 VanDerWaalsContact C-N 3.32Å; K347-R349 PolarHBondContact O-N 3.03Å
348	G	78.9	Confident	93.5	Very high	58 Å²	58	68.5 Å²	68.5	60%	0.598	32%	0.323	S	S	*	.	S	Bend	trans	81.3	-18.6	165.4	0	0	0	0	0	117.7
349	R	81.4	Confident	93.5	Very high	171 Å²	171	76.5 Å²	76.5	65%	0.645	35%	0.353	S	S	*	.	S	Bend	trans	-166.3	162.3	172.2	54.6	-177.9	170.2	88.3	-4.4	112.1	N334 K347	N334-R349 PolarHBondContact ND2-O 2.94Å; K347-R349 VanDerWaalsContact C-N 3.32Å; K347-R349 PolarHBondContact O-N 3.03Å
350	T	91.8	Very high	93.6	Very high	12 Å²	12	79 Å²	79	7%	0.074	36%	0.364	C	S	.	.			trans	-69.1	162	166.1	63.9	0	0	0	0	111.6	D297 I299 N334	D297-T350 WeakPolarHBondContact OD1-CB 3.41Å; D297-T350 WeakPolarHBondContact OD1-CG2 3.46Å; D297-T350 PolarHBondContact OD1-OG1 3.38Å; D297-T350 PolarHBondContact OD2-OG1 3.15Å; I299-T350 HydrophobicContact CD1-CG2 4.39Å; I299-T350 HydrophobicContact CG1-CG2 4.09Å; N334-T350 HydrophobicContact CB-CG2 4.16Å
351	V	94	Very high	94.1	Very high	16 Å²	16	76.7 Å²	76.7	10%	0.097	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.9	-177.7	-62.3	0	0	0	0	111.7	H332 F333 W345 K346 N357	H332-V351 CarbonylContact C-O 3.59Å; H332-V351 VanDerWaalsContact CA-O 3.3Å; H332-V351 WeakPolarHBondContact CA-O 2.96Å; F333-V351 WeakPolarHBondContact CD1-O 3.33Å; F333-V351 HydrophobicContact CE1-CG2 4.24Å; F333-V351 PolarHBondContact N-O 2.92Å; F333-V351 PolarHBondContact O-N 2.84Å; W345-V351 HydrophobicContact CH2-CG2 3.79Å; W345-V351 HydrophobicContact CZ3-CG2 3.51Å; K346-V351 HydrophobicContact CB-CG1 4.11Å; K346-V351 HydrophobicContact CG-CG1 4.01Å; K346-V351 HydrophobicContact CG-CG2 4.17Å; V351-N357 HydrophobicContact CG2-CB 4.39Å
352	R	95.5	Very high	94.5	Very high	130 Å²	130	73.4 Å²	73.4	49%	0.491	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	138.7	177.7	-169.6	173.6	179.8	-179.4	-2.1	111.5	E329 D331 H332 T354 N357	E329-R352 VanDerWaalsContact O-CZ 3.27Å; E329-R352 PolarHBondContact O-NE 3.47Å; E329-R352 PolarHBondContact O-NH2 3.09Å; D331-R352 CarbonylContact O-C 3.56Å; D331-R352 WeakPolarHBondContact O-CA 3.47Å; H332-R352 PolarHBondContact CD2-N 3.06Å; R352-T354 HydrophobicContact CB-CG2 4.32Å; R352-T354 HydrophobicContact CG-CG2 4.27Å; R352-T354 PolarHBondContact O-N 3.13Å; R352-N357 WeakPolarHBondContact O-CB 3.4Å; R352-N357 PolarHBondContact O-ND2 2.96Å
353	A	96.8	Very high	94.5	Very high	2 Å²	2	75.5 Å²	75.5	2%	0.017	34%	0.344	C	S	.	.			trans	-73	60.2	178.4	0	0	0	0	0	113.1	L327 R328 D331 F333 V358	L327-A353 HydrophobicContact CB-CB 3.78Å; L327-A353 HydrophobicContact CD1-CB 4.36Å; R328-A353 WeakPolarHBondContact O-CB 3.32Å; D331-A353 HydrophobicContact CB-CB 4.33Å; D331-A353 PolarHBondContact O-N 3.37Å; F333-A353 HydrophobicContact CD1-CB 4.05Å; F333-A353 HydrophobicContact CE1-CB 4.26Å; A353-V358 HydrophobicContact CB-CG2 4.39Å
354	T	97.3	Very high	94.6	Very high	51 Å²	51	72 Å²	72	31%	0.313	33%	0.328	S	S	.	.			trans	-74.7	154.4	170.6	71.7	0	0	0	0	110.4	R352 Q356 N357 V358	R352-T354 HydrophobicContact CB-CG2 4.32Å; R352-T354 HydrophobicContact CG-CG2 4.27Å; R352-T354 PolarHBondContact O-N 3.13Å; T354-Q356 PolarHBondContact O-N 2.99Å; T354-N357 PolarHBondContact O-N 2.86Å; T354-N357 PolarHBondContact OG1-N 3.26Å; T354-N357 PolarHBondContact OG1-ND2 2.65Å; T354-V358 WeakPolarHBondContact O-CG2 3.42Å; T354-V358 PolarHBondContact O-N 3.24Å
355	R	96.3	Very high	94.7	Very high	194 Å²	194	70.6 Å²	70.6	73%	0.732	32%	0.319	S	S	*	.	H	α-helix	trans	-54.8	-27	177.4	-56.9	-178.7	-170.1	-163.6	-0.9	113.8	E329 R359	E329-R355 IonicContact OE1-CZ 2.74Å; E329-R355 IonicContact OE1-NE 2.91Å; E329-R355 PolarHBondContact OE1-NE 3.39Å; E329-R355 IonicContact OE1-NH2 3.43Å; E329-R355 PolarHBondContact OE1-NH2 3.43Å; R355-R359 WeakPolarHBondContact O-CB 3.45Å; R355-R359 PolarHBondContact O-N 2.83Å
356	Q	97.3	Very high	94.7	Very high	99 Å²	99	74.9 Å²	74.9	46%	0.463	34%	0.338	S	S	.	.	H	α-helix	trans	-77.8	-48.9	174.3	179.8	58.7	18.4	0	0	111.9	T354 V358 R359 E360	T354-Q356 PolarHBondContact O-N 2.99Å; Q356-V358 VanDerWaalsContact C-N 3.31Å; Q356-V358 PolarHBondContact O-N 3.32Å; Q356-R359 WeakPolarHBondContact O-CB 3.45Å; Q356-R359 PolarHBondContact O-N 3.31Å; Q356-R359 VanDerWaalsContact O-N 3.12Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.35Å; Q356-E360 PolarHBondContact NE2-OE1 2.75Å; Q356-E360 PolarHBondContact O-N 2.97Å
357	N	97.4	Very high	94.8	Very high	30 Å²	30	80.5 Å²	80.5	16%	0.16	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-40.6	177.5	-75.9	-19.7	0	0	0	111.6	F333 W345 V351 R352 T354 E360 A361	F333-N357 HydrophobicContact CE1-CB 4.22Å; W345-N357 HydrophobicContact CH2-CB 4.14Å; W345-N357 VanDerWaalsContact CH2-O 3.27Å; W345-N357 WeakPolarHBondContact CH2-O 3.32Å; W345-N357 WeakPolarHBondContact CZ2-O 3.16Å; V351-N357 HydrophobicContact CG2-CB 4.39Å; R352-N357 WeakPolarHBondContact O-CB 3.4Å; R352-N357 PolarHBondContact O-ND2 2.96Å; T354-N357 PolarHBondContact O-N 2.86Å; T354-N357 PolarHBondContact OG1-N 3.26Å; T354-N357 PolarHBondContact OG1-ND2 2.65Å; N357-E360 PolarHBondContact O-N 3.18Å; N357-A361 VanDerWaalsContact O-CB 3.3Å; N357-A361 WeakPolarHBondContact O-CB 3.36Å; N357-A361 PolarHBondContact O-N 3.38Å
358	V	98.1	Very high	95.2	Very high	22 Å²	22	72.1 Å²	72.1	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-42	174	166.5	0	0	0	0	111.8	L324 A353 T354 Q356 A361 K362	L324-V358 WeakPolarHBondContact O-CG1 3.31Å; L324-V358 WeakPolarHBondContact O-CG2 3.5Å; A353-V358 HydrophobicContact CB-CG2 4.39Å; T354-V358 WeakPolarHBondContact O-CG2 3.42Å; T354-V358 PolarHBondContact O-N 3.24Å; Q356-V358 VanDerWaalsContact C-N 3.31Å; Q356-V358 PolarHBondContact O-N 3.32Å; V358-A361 PolarHBondContact O-N 2.7Å; V358-K362 HydrophobicContact CG1-CD 4.1Å; V358-K362 VanDerWaalsContact O-CG 3.31Å; V358-K362 WeakPolarHBondContact O-CG 3.48Å; V358-K362 PolarHBondContact O-N 3.25Å
359	R	97.9	Very high	95.7	Very high	168 Å²	168	74.5 Å²	74.5	63%	0.634	32%	0.321	S	S	*	.	H	α-helix	trans	-64.4	-46.9	176.8	-171	-167.6	-56.6	-110	0.9	111.6	R355 Q356 A361 K362 E363	R355-R359 WeakPolarHBondContact O-CB 3.45Å; R355-R359 PolarHBondContact O-N 2.83Å; Q356-R359 WeakPolarHBondContact O-CB 3.45Å; Q356-R359 PolarHBondContact O-N 3.31Å; Q356-R359 VanDerWaalsContact O-N 3.12Å; R359-A361 VanDerWaalsContact C-N 3.33Å; R359-A361 PolarHBondContact O-N 3.45Å; R359-K362 PolarHBondContact O-N 3.04Å; R359-E363 PolarHBondContact O-N 3.28Å
360	E	98.1	Very high	96.1	Very high	65 Å²	65	67.1 Å²	67.1	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-38.2	176.7	-75.2	176.4	-150.6	0	0	112.6	W345 K346 Q356 N357 E363 F364	W345-E360 HydrophobicContact CZ2-CB 3.74Å; K346-E360 IonicContact NZ-OE2 3.59Å; K346-E360 PolarHBondContact NZ-OE2 3.41Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.35Å; Q356-E360 PolarHBondContact NE2-OE1 2.75Å; Q356-E360 PolarHBondContact O-N 2.97Å; N357-E360 PolarHBondContact O-N 3.18Å; E360-E363 PolarHBondContact O-N 3.36Å; E360-F364 PolarHBondContact O-N 3.48Å
361	A	98.1	Very high	95.7	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.1	-39.7	175.4	0	0	0	0	0	112.3	L324 F333 I335 W345 N357 V358 R359 F364 V365	L324-A361 HydrophobicContact CD1-CB 3.97Å; L324-A361 HydrophobicContact CD2-CB 4.34Å; F333-A361 HydrophobicContact CE2-CB 3.53Å; F333-A361 HydrophobicContact CZ-CB 3.64Å; I335-A361 HydrophobicContact CD1-CB 4.03Å; W345-A361 HydrophobicContact CD2-CB 4.37Å; W345-A361 HydrophobicContact CE3-CB 4.33Å; W345-A361 HydrophobicContact CH2-CB 3.8Å; W345-A361 HydrophobicContact CZ2-CB 3.82Å; W345-A361 HydrophobicContact CZ3-CB 4.05Å; N357-A361 VanDerWaalsContact O-CB 3.3Å; N357-A361 WeakPolarHBondContact O-CB 3.36Å; N357-A361 PolarHBondContact O-N 3.38Å; V358-A361 PolarHBondContact O-N 2.7Å; R359-A361 VanDerWaalsContact C-N 3.33Å; R359-A361 PolarHBondContact O-N 3.45Å; A361-F364 WeakPolarHBondContact O-CB 3.46Å; A361-F364 PolarHBondContact O-N 3.28Å; A361-F364 VanDerWaalsContact O-N 3.16Å; A361-V365 WeakPolarHBondContact O-CG2 3.35Å; A361-V365 PolarHBondContact O-N 2.85Å
362	K	98.4	Very high	95.2	Very high	54 Å²	54	73.6 Å²	73.6	24%	0.235	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-41.4	174.2	-73.8	171.1	174.7	-128.3	0	112	N321 L324 V358 R359 F364 V365 K366	N321-K362 WeakPolarHBondContact O-CE 3.38Å; N321-K362 PolarHBondContact O-NZ 3.31Å; N321-K362 WeakPolarHBondContact OD1-CD 3.25Å; N321-K362 WeakPolarHBondContact OD1-CE 3.06Å; N321-K362 PolarHBondContact OD1-NZ 2.85Å; L324-K362 HydrophobicContact CB-CG 4.17Å; L324-K362 HydrophobicContact CD1-CG 4.03Å; V358-K362 HydrophobicContact CG1-CD 4.1Å; V358-K362 VanDerWaalsContact O-CG 3.31Å; V358-K362 WeakPolarHBondContact O-CG 3.48Å; V358-K362 PolarHBondContact O-N 3.25Å; R359-K362 PolarHBondContact O-N 3.04Å; K362-F364 VanDerWaalsContact C-N 3.3Å; K362-F364 PolarHBondContact O-N 3.09Å; K362-V365 PolarHBondContact O-N 2.91Å; K362-K366 VanDerWaalsContact O-CB 3.25Å; K362-K366 WeakPolarHBondContact O-CB 3.4Å; K362-K366 PolarHBondContact O-N 2.71Å
363	E	98.1	Very high	94.9	Very high	86 Å²	86	75.4 Å²	75.4	40%	0.402	34%	0.343	S	S	.	.	H	α-helix	trans	-73.6	-16.6	173.5	-69.1	-63.8	137.5	0	0	113.6	R359 E360 K366 R367	R359-E363 PolarHBondContact O-N 3.28Å; E360-E363 PolarHBondContact O-N 3.36Å; E363-K366 WeakPolarHBondContact OE1-CD 3.22Å; E363-K366 IonicContact OE1-NZ 3.4Å; E363-K366 PolarHBondContact OE1-NZ 3Å; E363-K366 VanDerWaalsContact OE2-CD 3.26Å; E363-K366 WeakPolarHBondContact OE2-CD 2.95Å; E363-K366 IonicContact OE2-NZ 2.64Å; E363-K366 PolarHBondContact OE2-NZ 3.48Å; E363-R367 WeakPolarHBondContact O-CG 3.25Å; E363-R367 PolarHBondContact O-NE 3.14Å
364	F	97.9	Very high	94.7	Very high	37 Å²	37	75.7 Å²	75.7	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-73.7	-55.4	163.7	175	-97.2	0	0	0	110.7	I335 T337 W345 E360 A361 K362 K366 R367 I368	I335-F364 HydrophobicContact CB-CD1 4.33Å; I335-F364 HydrophobicContact CB-CE1 4.11Å; I335-F364 HydrophobicContact CD1-CD1 4.33Å; I335-F364 HydrophobicContact CG2-CD1 4.25Å; I335-F364 HydrophobicContact CG2-CE1 3.81Å; T337-F364 HydrophobicContact CG2-CE1 4.03Å; T337-F364 HydrophobicContact CG2-CZ 4.24Å; W345-F364 HydrophobicContact CB-CD1 3.95Å; W345-F364 HydrophobicContact CB-CD2 4.19Å; W345-F364 HydrophobicContact CB-CE1 3.93Å; W345-F364 HydrophobicContact CB-CE2 4.17Å; W345-F364 HydrophobicContact CB-CG 4.08Å; W345-F364 HydrophobicContact CB-CZ 4.05Å; W345-F364 AromaticContact CD1-CD2 3.64Å; W345-F364 AromaticContact CD1-CG 3.49Å; W345-F364 VanDerWaalsContact CD1-CG 3.49Å; W345-F364 HydrophobicContact CG-CB 4.22Å; W345-F364 HydrophobicContact CG-CD1 4.13Å; W345-F364 HydrophobicContact CG-CD2 4.23Å; W345-F364 AromaticContact CG-CG 3.93Å; W345-F364 HydrophobicContact CG-CG 3.93Å; E360-F364 PolarHBondContact O-N 3.48Å; A361-F364 WeakPolarHBondContact O-CB 3.46Å; A361-F364 PolarHBondContact O-N 3.28Å; A361-F364 VanDerWaalsContact O-N 3.16Å; K362-F364 VanDerWaalsContact C-N 3.3Å; K362-F364 PolarHBondContact O-N 3.09Å; F364-K366 VanDerWaalsContact C-N 3.28Å; F364-K366 PolarHBondContact O-N 2.87Å; F364-R367 PolarHBondContact O-N 3.16Å; F364-I368 HydrophobicContact CE1-CD1 4.45Å; F364-I368 HydrophobicContact CE1-CG1 4.49Å; F364-I368 PolarHBondContact O-N 2.91Å
365	V	97.9	Very high	94.6	Very high	4 Å²	4	74.2 Å²	74.2	2%	0.024	33%	0.334	C	S	.	.	H	α-helix	trans	-53.3	-43.8	179.5	168.1	0	0	0	0	112.3	K317 M320 L324 I335 A361 K362 R367 I368	K317-V365 HydrophobicContact CB-CG1 4.14Å; K317-V365 VanDerWaalsContact CE-O 3.22Å; K317-V365 WeakPolarHBondContact CE-O 3.29Å; K317-V365 HydrophobicContact CG-CG1 3.96Å; M320-V365 HydrophobicContact CB-CG1 3.91Å; M320-V365 HydrophobicContact CB-CG2 4.32Å; L324-V365 HydrophobicContact CD1-CG2 3.9Å; I335-V365 HydrophobicContact CD1-CG2 3.61Å; A361-V365 WeakPolarHBondContact O-CG2 3.35Å; A361-V365 PolarHBondContact O-N 2.85Å; K362-V365 PolarHBondContact O-N 2.91Å; V365-R367 PolarHBondContact O-N 3.32Å; V365-I368 HydrophobicContact CB-CD1 4.37Å; V365-I368 HydrophobicContact CG1-CD1 4.48Å; V365-I368 HydrophobicContact CG2-CD1 4.36Å; V365-I368 WeakPolarHBondContact O-CB 3.31Å; V365-I368 WeakPolarHBondContact O-CG1 3.35Å; V365-I368 PolarHBondContact O-N 3.03Å
366	K	96.9	Very high	94.7	Very high	125 Å²	125	65 Å²	65	54%	0.543	30%	0.3	S	S	.	.	H	α-helix	trans	-56.4	-35.4	176.7	-175.5	-174.6	178.6	-170.3	0	113.3	K317 K362 E363 F364	K317-K366 PolarHBondContact NZ-O 2.9Å; K362-K366 VanDerWaalsContact O-CB 3.25Å; K362-K366 WeakPolarHBondContact O-CB 3.4Å; K362-K366 PolarHBondContact O-N 2.71Å; E363-K366 WeakPolarHBondContact OE1-CD 3.22Å; E363-K366 IonicContact OE1-NZ 3.4Å; E363-K366 PolarHBondContact OE1-NZ 3Å; E363-K366 VanDerWaalsContact OE2-CD 3.26Å; E363-K366 WeakPolarHBondContact OE2-CD 2.95Å; E363-K366 IonicContact OE2-NZ 2.64Å; E363-K366 PolarHBondContact OE2-NZ 3.48Å; F364-K366 VanDerWaalsContact C-N 3.28Å; F364-K366 PolarHBondContact O-N 2.87Å
367	R	96	Very high	94.7	Very high	176 Å²	176	61.1 Å²	61.1	66%	0.664	28%	0.282	S	S	*	.	H	α-helix	trans	-88.7	-5.5	-177.8	-73.7	-176.3	-69.2	158.9	-0.2	115.1	E363 F364 V365 N369	E363-R367 WeakPolarHBondContact O-CG 3.25Å; E363-R367 PolarHBondContact O-NE 3.14Å; F364-R367 PolarHBondContact O-N 3.16Å; V365-R367 PolarHBondContact O-N 3.32Å; R367-N369 PolarHBondContact O-N 3.11Å
368	I	94.4	Very high	94.7	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.072	29%	0.286	C	S	.	.			trans	-57.1	131.3	173.7	-63.7	173.4	0	0	0	110	V304 I313 K317 T337 F364 V365	V304-I368 HydrophobicContact CB-CG2 4.04Å; V304-I368 HydrophobicContact CG1-CG2 3.36Å; I313-I368 HydrophobicContact CD1-CG2 3.97Å; I313-I368 HydrophobicContact CG1-CG2 4.5Å; K317-I368 WeakPolarHBondContact CE-O 3.42Å; K317-I368 PolarHBondContact NZ-O 3.47Å; T337-I368 HydrophobicContact CG2-CD1 3.47Å; T337-I368 VanDerWaalsContact CG2-CD1 3.47Å; T337-I368 HydrophobicContact CG2-CG1 3.87Å; T337-I368 HydrophobicContact CG2-CG2 4.45Å; F364-I368 HydrophobicContact CE1-CD1 4.45Å; F364-I368 HydrophobicContact CE1-CG1 4.49Å; F364-I368 PolarHBondContact O-N 2.91Å; V365-I368 HydrophobicContact CB-CD1 4.37Å; V365-I368 HydrophobicContact CG1-CD1 4.48Å; V365-I368 HydrophobicContact CG2-CD1 4.36Å; V365-I368 WeakPolarHBondContact O-CB 3.31Å; V365-I368 WeakPolarHBondContact O-CG1 3.35Å; V365-I368 PolarHBondContact O-N 3.03Å
369	N	89.4	Confident	94.6	Very high	109 Å²	109	60 Å²	60	58%	0.583	28%	0.28	S	S	*	.			trans	-110.5	156.8	166.3	-68.3	-27.1	0	0	0	109.1	R367	R367-N369 PolarHBondContact O-N 3.11Å
370	A	90.6	Very high	94.6	Very high	16 Å²	16	52.1 Å²	52.1	13%	0.132	25%	0.25	C	C	.	.			trans	-102.7	114.8	177.1	0	0	0	0	0	108.9	V304 M308 I309 I313	V304-A370 CarbonylContact O-C 3.58Å; V304-A370 WeakPolarHBondContact O-CA 3.26Å; M308-A370 HydrophobicContact CB-CB 3.99Å; I309-A370 HydrophobicContact CB-CB 4.46Å; I309-A370 WeakPolarHBondContact CD1-O 3.49Å; I309-A370 HydrophobicContact CG1-CB 3.61Å; I309-A370 VanDerWaalsContact CG1-O 3.24Å; I309-A370 WeakPolarHBondContact CG1-O 3.3Å; I313-A370 HydrophobicContact CB-CB 4.27Å; I313-A370 HydrophobicContact CG1-CB 4.23Å; I313-A370 HydrophobicContact CG2-CB 4.28Å
371	E	82.4	Confident	94.5	Very high	125 Å²	125	51.7 Å²	51.7	58%	0.584	25%	0.249	S	C	*	.			trans	-164.2	158.6	-173.6	62	-170.1	175	0	0	111.7	V304 S305 S339	V304-E371 PolarHBondContact O-N 3.05Å; S305-E371 WeakPolarHBondContact CA-O 3.45Å; S339-E371 VanDerWaalsContact CB-O 3.24Å; S339-E371 WeakPolarHBondContact CB-O 3.45Å
372	G	84.9	Confident	94.3	Very high	39 Å²	39	52.5 Å²	52.5	40%	0.402	26%	0.255	S	S	.	.	S	Bend	trans	79.3	-166.9	177	0	0	0	0	0	115.2	G306	G306-G372 PolarHBondContact N-O 3.36Å
373	W	88	Confident	94.2	Very high	168 Å²	168	49.9 Å²	49.9	64%	0.636	24%	0.244	S	C	*	.			trans	-95	-164	-176.2	-58.6	102	0	0	0	111.7	S305 S339 D340 T416	S305-W373 WeakPolarHBondContact CB-O 3.22Å; S339-W373 CarbonylContact C-O 3.58Å; S339-W373 WeakPolarHBondContact CA-O 3.39Å; S339-W373 WeakPolarHBondContact CB-O 3.42Å; D340-W373 HydrophobicContact CB-CB 4.26Å; D340-W373 PolarHBondContact N-O 3.12Å; D340-W373 VanDerWaalsContact N-O 3.08Å; W373-T416 HydrophobicContact CB-CG2 3.73Å
374	T	92.1	Very high	93.9	Very high	7 Å²	7	46 Å²	46	4%	0.043	23%	0.226	C	C	.	.			trans	-132.2	102.8	-170.3	-45	0	0	0	0	111.8	D303 S305 F338 I376 E413 T415 T416	D303-T374 VanDerWaalsContact OD2-CG2 3.27Å; D303-T374 WeakPolarHBondContact OD2-CG2 3.44Å; S305-T374 VanDerWaalsContact CB-OG1 3.27Å; S305-T374 WeakPolarHBondContact CB-OG1 3.4Å; S305-T374 PolarHBondContact OG-OG1 2.85Å; F338-T374 HydrophobicContact CE2-CG2 3.81Å; T374-I376 HydrophobicContact CG2-CG1 4.11Å; T374-E413 WeakPolarHBondContact CB-O 3Å; T374-E413 WeakPolarHBondContact CG2-O 3.33Å; T374-T415 WeakPolarHBondContact CB-OG1 3.15Å; T374-T415 PolarHBondContact N-OG1 3Å; T374-T415 PolarHBondContact O-N 2.7Å; T374-T415 PolarHBondContact OG1-OG1 3.1Å; T374-T416 PolarHBondContact O-N 2.79Å
375	N	97.1	Very high	93.5	Very high	20 Å²	20	50.6 Å²	50.6	11%	0.107	25%	0.248	C	C	.	.			trans	-107.4	72.8	-177.4	-166.5	-20.2	0	0	0	112.4	S339 N377 A378 A379 T416	S339-N375 WeakPolarHBondContact O-CB 3.37Å; S339-N375 PolarHBondContact O-N 2.82Å; N375-N377 VanDerWaalsContact C-N 3.31Å; N375-N377 PolarHBondContact O-N 3Å; N375-A378 HydrophobicContact CB-CB 4.44Å; N375-A378 PolarHBondContact O-N 3.43Å; N375-A378 VanDerWaalsContact OD1-CB 3.27Å; N375-A378 WeakPolarHBondContact OD1-CB 3.3Å; N375-A378 PolarHBondContact OD1-N 2.9Å; N375-A378 VanDerWaalsContact OD1-N 3.15Å; N375-A379 PolarHBondContact O-N 3.47Å; N375-T416 WeakPolarHBondContact CA-O 3.47Å; N375-T416 HydrophobicContact CB-CG2 3.95Å; N375-T416 PolarHBondContact OD1-O 2.97Å
376	I	97.2	Very high	93.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-53.4	-45.8	-178	-63.3	-170.9	0	0	0	111.8	F338 T374 A378 A379 L380 F408 A414 I424 L450 L454	F338-I376 HydrophobicContact CE2-CG1 4.17Å; T374-I376 HydrophobicContact CG2-CG1 4.11Å; I376-A378 PolarHBondContact O-N 2.85Å; I376-A379 PolarHBondContact O-N 3.02Å; I376-L380 HydrophobicContact CG2-CD1 3.73Å; I376-L380 HydrophobicContact CG2-CG 4.34Å; I376-L380 WeakPolarHBondContact O-CG 3.5Å; I376-L380 PolarHBondContact O-N 3.05Å; I376-F408 HydrophobicContact CB-CZ 4.2Å; I376-F408 HydrophobicContact CG1-CZ 4.12Å; I376-F408 HydrophobicContact CG2-CE1 4.25Å; I376-F408 HydrophobicContact CG2-CE2 4.42Å; I376-F408 HydrophobicContact CG2-CZ 3.71Å; I376-A414 HydrophobicContact CB-CB 4.2Å; I376-A414 HydrophobicContact CD1-CB 4.01Å; I376-A414 HydrophobicContact CG1-CB 4.05Å; I376-I424 HydrophobicContact CG2-CG2 3.86Å; I376-L450 HydrophobicContact CD1-CD2 4.4Å; I376-L454 HydrophobicContact CG2-CD1 4.46Å
377	N	97.6	Very high	92.4	Very high	16 Å²	16	46 Å²	46	9%	0.086	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-49	-177.6	-177.2	81.6	0	0	0	112.9	N375 A379 L380 L381 V418 I424 N427	N375-N377 VanDerWaalsContact C-N 3.31Å; N375-N377 PolarHBondContact O-N 3Å; N377-A379 VanDerWaalsContact C-N 3.29Å; N377-A379 PolarHBondContact O-N 2.94Å; N377-L380 PolarHBondContact O-N 3.07Å; N377-L381 WeakPolarHBondContact ND2-CD1 3.35Å; N377-L381 WeakPolarHBondContact O-CG 3.16Å; N377-L381 PolarHBondContact O-N 2.81Å; N377-V418 HydrophobicContact CB-CB 3.76Å; N377-V418 HydrophobicContact CB-CG2 4.43Å; N377-I424 HydrophobicContact CB-CG1 4.25Å; N377-N427 WeakPolarHBondContact OD1-CB 3.47Å; N377-N427 PolarHBondContact OD1-ND2 2.91Å
378	A	97.1	Very high	91.4	Very high	30 Å²	30	41.1 Å²	41.1	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-34.6	-179.5	0	0	0	0	0	112	V342 N375 I376 S382	V342-A378 HydrophobicContact CG2-CB 3.59Å; N375-A378 HydrophobicContact CB-CB 4.44Å; N375-A378 PolarHBondContact O-N 3.43Å; N375-A378 VanDerWaalsContact OD1-CB 3.27Å; N375-A378 WeakPolarHBondContact OD1-CB 3.3Å; N375-A378 PolarHBondContact OD1-N 2.9Å; N375-A378 VanDerWaalsContact OD1-N 3.15Å; I376-A378 PolarHBondContact O-N 2.85Å; A378-S382 WeakPolarHBondContact O-CB 3.46Å; A378-S382 PolarHBondContact O-N 3.21Å
379	A	97.3	Very high	90	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-45	177.3	0	0	0	0	0	112.2	V301 F338 N375 I376 N377 S382 A383 F408	V301-A379 HydrophobicContact CG1-CB 3.83Å; F338-A379 HydrophobicContact CB-CB 3.62Å; F338-A379 HydrophobicContact CD1-CB 3.58Å; F338-A379 HydrophobicContact CD2-CB 3.84Å; F338-A379 HydrophobicContact CE1-CB 4.17Å; F338-A379 HydrophobicContact CE2-CB 4.4Å; F338-A379 HydrophobicContact CG-CB 3.39Å; N375-A379 PolarHBondContact O-N 3.47Å; I376-A379 PolarHBondContact O-N 3.02Å; N377-A379 VanDerWaalsContact C-N 3.29Å; N377-A379 PolarHBondContact O-N 2.94Å; A379-S382 PolarHBondContact O-N 3.27Å; A379-A383 PolarHBondContact O-N 3.37Å; A379-F408 HydrophobicContact CB-CE2 4.09Å
380	L	97	Very high	88.2	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-43.3	176.3	-68.1	171.5	0	0	0	112.2	I376 N377 S382 A383 A384 F408 I424 A428 L437 L454	I376-L380 HydrophobicContact CG2-CD1 3.73Å; I376-L380 HydrophobicContact CG2-CG 4.34Å; I376-L380 WeakPolarHBondContact O-CG 3.5Å; I376-L380 PolarHBondContact O-N 3.05Å; N377-L380 PolarHBondContact O-N 3.07Å; L380-S382 VanDerWaalsContact C-N 3.33Å; L380-S382 PolarHBondContact O-N 3.37Å; L380-A383 PolarHBondContact O-N 3.47Å; L380-A384 PolarHBondContact O-N 3.32Å; L380-F408 HydrophobicContact CD2-CD2 3.46Å; L380-F408 VanDerWaalsContact CD2-CD2 3.46Å; L380-F408 HydrophobicContact CD2-CE2 3.75Å; L380-F408 HydrophobicContact CD2-CG 4.18Å; L380-F408 HydrophobicContact CG-CD2 4.14Å; L380-F408 HydrophobicContact CG-CE2 3.88Å; L380-I424 HydrophobicContact CD1-CG2 3.87Å; L380-A428 HydrophobicContact CD1-CB 4.06Å; L380-L437 HydrophobicContact CD2-CD1 3.55Å; L380-L454 HydrophobicContact CD1-CD1 3.95Å; L380-L454 HydrophobicContact CD1-CD2 3.81Å
381	L	95.7	Very high	86.3	Confident	56 Å²	56	48 Å²	48	29%	0.293	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-35.5	175.6	-67.6	176.8	0	0	0	112.3	N377 A384 Q385 A431	N377-L381 WeakPolarHBondContact ND2-CD1 3.35Å; N377-L381 WeakPolarHBondContact O-CG 3.16Å; N377-L381 PolarHBondContact O-N 2.81Å; L381-A384 PolarHBondContact O-N 3.45Å; L381-Q385 WeakPolarHBondContact O-CG 3.39Å; L381-Q385 PolarHBondContact O-N 2.97Å; L381-Q385 VanDerWaalsContact O-N 3.08Å; L381-A431 HydrophobicContact CD2-CB 3.6Å
382	S	95.2	Very high	84.3	Confident	16 Å²	16	47.6 Å²	47.6	11%	0.112	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-35.7	174	-174.3	0	0	0	0	112.5	A378 A379 L380	A378-S382 WeakPolarHBondContact O-CB 3.46Å; A378-S382 PolarHBondContact O-N 3.21Å; A379-S382 PolarHBondContact O-N 3.27Å; L380-S382 VanDerWaalsContact C-N 3.33Å; L380-S382 PolarHBondContact O-N 3.37Å
383	A	94.8	Very high	82.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-44.9	173	0	0	0	0	0	111.4	I299 V301 I336 A379 L380 Q385 L386 V387 V406	I299-A383 HydrophobicContact CD1-CB 4.46Å; I299-A383 WeakPolarHBondContact CD1-O 3.28Å; I299-A383 HydrophobicContact CG2-CB 4.34Å; V301-A383 HydrophobicContact CG2-CB 3.76Å; I336-A383 HydrophobicContact CD1-CB 3.96Å; A379-A383 PolarHBondContact O-N 3.37Å; L380-A383 PolarHBondContact O-N 3.47Å; A383-Q385 VanDerWaalsContact C-N 3.35Å; A383-Q385 PolarHBondContact O-N 2.85Å; A383-L386 PolarHBondContact O-N 2.87Å; A383-L386 VanDerWaalsContact O-N 3.12Å; A383-V387 PolarHBondContact O-N 2.61Å; A383-V406 HydrophobicContact CB-CG2 4.2Å
384	A	92.1	Very high	79.7	Confident	5 Å²	5	47 Å²	47	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-56	-45.6	175	0	0	0	0	0	112.6	L380 L381 L386 V387 N388 A431 L432	L380-A384 PolarHBondContact O-N 3.32Å; L381-A384 PolarHBondContact O-N 3.45Å; A384-L386 PolarHBondContact O-N 3.28Å; A384-L386 VanDerWaalsContact O-N 3.15Å; A384-V387 PolarHBondContact O-N 3.21Å; A384-N388 WeakPolarHBondContact O-CB 3.33Å; A384-N388 PolarHBondContact O-N 3.39Å; A384-A431 HydrophobicContact CB-CB 3.56Å; A384-A431 WeakPolarHBondContact CB-O 3.37Å; A384-L432 HydrophobicContact CB-CD2 3.97Å; A384-L432 HydrophobicContact CB-CG 4.42Å
385	Q	90.7	Very high	77.1	Confident	132 Å²	132	50.9 Å²	50.9	62%	0.617	34%	0.336	S	S	*	.	H	α-helix	trans	-59.3	-24.5	177.7	-73.9	170.4	7.8	0	0	114.4	L381 A383 P389	L381-Q385 WeakPolarHBondContact O-CG 3.39Å; L381-Q385 PolarHBondContact O-N 2.97Å; L381-Q385 VanDerWaalsContact O-N 3.08Å; A383-Q385 VanDerWaalsContact C-N 3.35Å; A383-Q385 PolarHBondContact O-N 2.85Å; Q385-P389 WeakPolarHBondContact O-CA 3.19Å
386	L	87.8	Confident	74.2	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.052	37%	0.37	C	S	.	.	H	α-helix	trans	-85.6	-33	178.9	-70.9	173.9	0	0	0	113.4	I299 N334 I336 T344 A383 A384	I299-L386 HydrophobicContact CD1-CB 3.56Å; I299-L386 HydrophobicContact CD1-CD1 4.01Å; I299-L386 HydrophobicContact CD1-CG 4.46Å; I299-L386 HydrophobicContact CG2-CD1 4.45Å; N334-L386 HydrophobicContact CB-CD1 4.12Å; N334-L386 WeakPolarHBondContact ND2-CD1 3.48Å; I336-L386 HydrophobicContact CD1-CD1 3.82Å; I336-L386 HydrophobicContact CG1-CD1 4.14Å; T344-L386 HydrophobicContact CG2-CD1 3.75Å; T344-L386 HydrophobicContact CG2-CD2 4.28Å; A383-L386 PolarHBondContact O-N 2.87Å; A383-L386 VanDerWaalsContact O-N 3.12Å; A384-L386 PolarHBondContact O-N 3.28Å; A384-L386 VanDerWaalsContact O-N 3.15Å
387	V	82.3	Confident	71.6	Confident	24 Å²	24	61.9 Å²	61.9	15%	0.145	39%	0.393	C	S	.	.	H	α-helix	trans	-81.8	-42.8	175.7	-169.2	0	0	0	0	110.8	I299 A383 A384 P389 P404 V435	I299-V387 HydrophobicContact CD1-CG2 3.46Å; I299-V387 VanDerWaalsContact CD1-CG2 3.46Å; I299-V387 HydrophobicContact CG1-CG2 4.45Å; A383-V387 PolarHBondContact O-N 2.61Å; A384-V387 PolarHBondContact O-N 3.21Å; V387-P389 WeakPolarHBondContact O-CD 3.48Å; V387-P404 HydrophobicContact CG1-CB 3.75Å; V387-V435 HydrophobicContact CB-CG2 3.94Å; V387-V435 HydrophobicContact CG1-CG2 3.76Å; V387-V435 HydrophobicContact CG2-CG2 3.94Å
388	N	76.9	Confident	68.9	Low	73 Å²	73	66.5 Å²	66.5	39%	0.39	43%	0.425	S	S	.	.	S	Bend	trans	-109.6	61.2	-176.4	-58.2	-28.6	0	0	0	110.6	A384 S390 A431 L432	A384-N388 WeakPolarHBondContact O-CB 3.33Å; A384-N388 PolarHBondContact O-N 3.39Å; N388-S390 PolarHBondContact O-N 2.97Å; N388-A431 PolarHBondContact ND2-O 3.4Å; N388-L432 PolarHBondContact ND2-O 2.99Å; N388-L432 VanDerWaalsContact ND2-O 3.14Å
389	P	63.8	Low	66.6	Low	51 Å²	51	69.4 Å²	69.4	33%	0.331	45%	0.449	S	S	.	.			trans	-66.7	133.6	179.9	30	-35.4	0	0	0	110.3	Q385 V387 S391	Q385-P389 WeakPolarHBondContact O-CA 3.19Å; V387-P389 WeakPolarHBondContact O-CD 3.48Å; P389-S391 PolarHBondContact O-N 3.46Å
390	S	52.6	Low	64.5	Low	106 Å²	106	71.8 Å²	71.8	74%	0.741	47%	0.465	S	S	*	.			trans	-50.8	137.4	-178.1	-53	0	0	0	0	112.5	N388 S392	N388-S390 PolarHBondContact O-N 2.97Å; S390-S392 PolarHBondContact O-N 2.82Å
391	S	49.5	Very low	63.3	Low	125 Å²	125	77 Å²	77	87%	0.874	49%	0.489	S	S	*	.	S	Bend	trans	-73.4	43.5	-170.5	-44.9	0	0	0	0	115.1	P389 G393	P389-S391 PolarHBondContact O-N 3.46Å; S391-G393 VanDerWaalsContact C-N 3.3Å; S391-G393 PolarHBondContact O-N 2.89Å
392	S	40	Very low	62.7	Low	118 Å²	118	78.1 Å²	78.1	83%	0.825	49%	0.49	S	S	*	.			trans	-89.6	20.9	-175.1	-52.2	0	0	0	0	114.1	S390	S390-S392 PolarHBondContact O-N 2.82Å
393	G	39.2	Very low	62.3	Low	55 Å²	55	77.5 Å²	77.5	57%	0.567	49%	0.486	S	S	*	.	S	Bend	trans	-144.1	128.1	176.6	0	0	0	0	0	110.7	S391 S395	S391-G393 VanDerWaalsContact C-N 3.3Å; S391-G393 PolarHBondContact O-N 2.89Å; G393-S395 PolarHBondContact O-N 3.12Å
394	S	37.8	Very low	62.1	Low	138 Å²	138	78.9 Å²	78.9	97%	0.965	50%	0.495	S	S	*	.	S	Bend	trans	-79.1	56.3	-170.8	63.7	0	0	0	0	113.6
395	S	37.1	Very low	62.2	Low	90 Å²	90	78.7 Å²	78.7	63%	0.629	49%	0.493	S	S	*	.			trans	-123	111.8	163.6	60.7	0	0	0	0	108.5	G393 R397	G393-S395 PolarHBondContact O-N 3.12Å; S395-R397 PolarHBondContact O-N 3.23Å
396	S	36.5	Very low	62.5	Low	119 Å²	119	72.4 Å²	72.4	83%	0.832	46%	0.463	S	S	*	.			trans	-57.3	105	162	36.9	0	0	0	0	107.7	P398	S396-P398 VanDerWaalsContact O-CD 3.28Å; S396-P398 WeakPolarHBondContact O-CD 3.31Å; S396-P398 VanDerWaalsContact O-N 3.13Å
397	R	42.6	Very low	63	Low	133 Å²	133	72.5 Å²	72.5	50%	0.502	46%	0.464	S	S	.	.			trans	-57.8	119.9	168.9	-70.9	173.6	73.1	170.5	1.1	105.6	S395 A399	S395-R397 PolarHBondContact O-N 3.23Å; R397-A399 PolarHBondContact O-N 2.9Å
398	P	41.3	Very low	63.7	Low	114 Å²	114	71.4 Å²	71.4	74%	0.74	46%	0.457	S	S	*	.			trans	-54	134.1	161.5	25.5	-32.7	0	0	0	106.2	S396 S400	S396-P398 VanDerWaalsContact O-CD 3.28Å; S396-P398 WeakPolarHBondContact O-CD 3.31Å; S396-P398 VanDerWaalsContact O-N 3.13Å; P398-S400 WeakPolarHBondContact O-CA 3.28Å; P398-S400 PolarHBondContact O-N 2.89Å; P398-S400 PolarHBondContact O-OG 3Å
399	A	47.8	Very low	64.7	Low	91 Å²	91	68.4 Å²	68.4	75%	0.752	44%	0.441	S	S	*	.			trans	-47.1	108.6	-173.3	0	0	0	0	0	108.1	R397 Q401	R397-A399 PolarHBondContact O-N 2.9Å; A399-Q401 PolarHBondContact O-N 2.75Å
400	S	53.4	Low	66.3	Low	50 Å²	50	66 Å²	66	35%	0.35	43%	0.425	S	S	.	.			trans	-75.4	99.9	-162.9	-63.7	0	0	0	0	106.8	P398 R402	P398-S400 WeakPolarHBondContact O-CA 3.28Å; P398-S400 PolarHBondContact O-N 2.89Å; P398-S400 PolarHBondContact O-OG 3Å; S400-R402 PolarHBondContact O-N 3.05Å
401	Q	71.8	Confident	68.1	Low	111 Å²	111	60.9 Å²	60.9	52%	0.519	39%	0.39	S	S	.	.			trans	-60.8	73.7	-176.2	-72.5	163.6	-42.7	0	0	110.9	A399 K539	A399-Q401 PolarHBondContact O-N 2.75Å; Q401-K539 PolarHBondContact NE2-O 2.96Å
402	R	83.5	Confident	69.8	Low	79 Å²	79	55.4 Å²	55.4	30%	0.298	35%	0.353	S	S	.	.	S	Bend	trans	-152.3	136.8	-171.5	-56	-177.3	-172.3	172.8	-3.3	109	P295 D297 H332 S400 P404	P295-R402 HydrophobicContact CB-CG 4.44Å; P295-R402 WeakPolarHBondContact O-CA 3.32Å; D297-R402 HydrophobicContact CB-CB 4.37Å; D297-R402 IonicContact OD2-CZ 3.9Å; D297-R402 IonicContact OD2-NH1 2.74Å; D297-R402 PolarHBondContact OD2-NH1 3.41Å; H332-R402 PolarHBondContact CD2-NH1 3.29Å; H332-R402 VanDerWaalsContact CE1-CZ 3.49Å; H332-R402 PolarHBondContact CE1-NH2 3.41Å; H332-R402 PolarHBondContact ND1-NH1 3.48Å; H332-R402 PolarHBondContact NE2-NH1 3.05Å; H332-R402 PolarHBondContact NE2-NH2 3.26Å; H332-R402 VanDerWaalsContact NE2-NH2 3.19Å; S400-R402 PolarHBondContact O-N 3.05Å; R402-P404 WeakPolarHBondContact O-CD 3.33Å
403	V	87.6	Confident	72.2	Confident	4 Å²	4	54 Å²	54	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.6	174.4	175.8	0	0	0	0	110	V294 P295 K296 D297 L405 P485 N509	V294-V403 HydrophobicContact CG1-CG2 4.23Å; P295-V403 PolarHBondContact O-N 3.15Å; P295-V403 VanDerWaalsContact O-N 3.11Å; K296-V403 WeakPolarHBondContact CA-O 3.35Å; D297-V403 PolarHBondContact N-O 3.36Å; V403-L405 HydrophobicContact CG1-CD2 3.5Å; V403-L405 HydrophobicContact CG1-CG 3.9Å; V403-P485 HydrophobicContact CB-CB 4.29Å; V403-P485 HydrophobicContact CB-CG 4.03Å; V403-P485 HydrophobicContact CG2-CB 3.76Å; V403-P485 HydrophobicContact CG2-CG 3.91Å; V403-N509 WeakPolarHBondContact CG1-OD1 3.17Å
404	P	90.4	Very high	74.6	Confident	29 Å²	29	52 Å²	52	19%	0.188	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	113.3	178.7	31.9	-31.4	0	0	0	111.4	V387 R402 V435 T436	V387-P404 HydrophobicContact CG1-CB 3.75Å; R402-P404 WeakPolarHBondContact O-CD 3.33Å; P404-V435 HydrophobicContact CB-CG2 4.22Å; P404-T436 PolarHBondContact O-N 3.19Å
405	L	93.4	Very high	77	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.9	-176	-58.9	-175.8	0	0	0	112.1	K296 D297 I298 I299 V403 T436 F438	K296-L405 HydrophobicContact CB-CD1 4.32Å; K296-L405 HydrophobicContact CD-CD1 4.05Å; D297-L405 PolarHBondContact O-N 3.43Å; I298-L405 CarbonylContact C-O 3.6Å; I298-L405 WeakPolarHBondContact CA-O 3.41Å; I298-L405 HydrophobicContact CB-CB 4.21Å; I298-L405 HydrophobicContact CD1-CB 4.3Å; I298-L405 HydrophobicContact CD1-CD1 4.32Å; I298-L405 HydrophobicContact CG1-CB 4.07Å; I299-L405 PolarHBondContact N-O 2.88Å; V403-L405 HydrophobicContact CG1-CD2 3.5Å; V403-L405 HydrophobicContact CG1-CG 3.9Å; L405-T436 WeakPolarHBondContact CA-O 3.46Å; L405-T436 HydrophobicContact CD2-CG2 3.95Å; L405-F438 HydrophobicContact CD1-CE2 4.48Å; L405-F438 HydrophobicContact CD2-CE2 3.96Å
406	V	96.7	Very high	79.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128	165.2	167.9	0	0	0	0	108.3	I299 V301 A383 F408 L432 V435 T436 L437 F438	I299-V406 HydrophobicContact CB-CG2 4.31Å; I299-V406 WeakPolarHBondContact O-CA 3.47Å; V301-V406 HydrophobicContact CG2-CG1 3.97Å; A383-V406 HydrophobicContact CB-CG2 4.2Å; V406-F408 HydrophobicContact CG1-CB 4.38Å; V406-L432 HydrophobicContact CG2-CD2 4.41Å; V406-V435 HydrophobicContact CB-CG1 4.08Å; V406-V435 HydrophobicContact CG2-CG1 3.62Å; V406-T436 PolarHBondContact N-O 3.15Å; V406-L437 HydrophobicContact CB-CG 4.48Å; V406-L437 HydrophobicContact CG1-CD1 4.13Å; V406-L437 HydrophobicContact CG1-CG 4.2Å; V406-F438 PolarHBondContact O-N 3.29Å
407	I	97.6	Very high	82.2	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.062	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.4	165.6	-63.2	-176	0	0	0	107.2	I298 I299 F300 V301 F438 I440 F478 Y479 V482	I298-I407 HydrophobicContact CD1-CD1 3.87Å; I298-I407 HydrophobicContact CD1-CG1 4.23Å; I299-I407 PolarHBondContact O-N 2.87Å; F300-I407 HydrophobicContact CD1-CB 4.27Å; F300-I407 HydrophobicContact CD1-CD1 4.42Å; F300-I407 HydrophobicContact CE1-CD1 4.06Å; V301-I407 PolarHBondContact N-O 3.04Å; I407-F438 HydrophobicContact CG1-CB 4.3Å; I407-F438 HydrophobicContact CG1-CD2 4.16Å; I407-I440 HydrophobicContact CG2-CD1 3.56Å; I407-I440 HydrophobicContact CG2-CG1 4.22Å; I407-F478 HydrophobicContact CD1-CE1 4.23Å; I407-Y479 HydrophobicContact CD1-CD2 4.24Å; I407-V482 HydrophobicContact CD1-CG2 4.25Å
408	F	98.3	Very high	84.6	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116	-177.4	-172.8	-83.8	0	0	0	110.1	V301 F338 I376 A379 L380 V406 T410 F438 G439 I440 L451	V301-F408 HydrophobicContact CB-CD2 3.74Å; V301-F408 HydrophobicContact CB-CE2 4.37Å; V301-F408 HydrophobicContact CB-CG 4.5Å; V301-F408 HydrophobicContact CG1-CD2 3.5Å; V301-F408 VanDerWaalsContact CG1-CD2 3.5Å; V301-F408 HydrophobicContact CG1-CE2 3.62Å; V301-F408 HydrophobicContact CG2-CD2 4.48Å; V301-F408 WeakPolarHBondContact O-CA 3.45Å; F338-F408 HydrophobicContact CE1-CE1 4.41Å; F338-F408 AromaticContact CE1-CE2 3.77Å; F338-F408 HydrophobicContact CE1-CE2 3.77Å; F338-F408 AromaticContact CE1-CZ 3.66Å; F338-F408 HydrophobicContact CE1-CZ 3.66Å; F338-F408 HydrophobicContact CE2-CZ 4.14Å; F338-F408 HydrophobicContact CZ-CE1 4.02Å; F338-F408 AromaticContact CZ-CE2 3.9Å; F338-F408 HydrophobicContact CZ-CE2 3.9Å; F338-F408 AromaticContact CZ-CZ 3.32Å; F338-F408 HydrophobicContact CZ-CZ 3.32Å; I376-F408 HydrophobicContact CB-CZ 4.2Å; I376-F408 HydrophobicContact CG1-CZ 4.12Å; I376-F408 HydrophobicContact CG2-CE1 4.25Å; I376-F408 HydrophobicContact CG2-CE2 4.42Å; I376-F408 HydrophobicContact CG2-CZ 3.71Å; A379-F408 HydrophobicContact CB-CE2 4.09Å; L380-F408 HydrophobicContact CD2-CD2 3.46Å; L380-F408 VanDerWaalsContact CD2-CD2 3.46Å; L380-F408 HydrophobicContact CD2-CE2 3.75Å; L380-F408 HydrophobicContact CD2-CG 4.18Å; L380-F408 HydrophobicContact CG-CD2 4.14Å; L380-F408 HydrophobicContact CG-CE2 3.88Å; V406-F408 HydrophobicContact CG1-CB 4.38Å; F408-T410 HydrophobicContact CD1-CG2 4.34Å; F408-T410 HydrophobicContact CE1-CG2 3.76Å; F408-F438 PolarHBondContact N-O 2.88Å; F408-G439 CarbonylContact O-C 3.49Å; F408-I440 PolarHBondContact O-N 3.42Å; F408-L451 HydrophobicContact CD1-CD2 3.61Å; F408-L451 HydrophobicContact CE1-CD2 3.85Å
409	L	98.1	Very high	87	Confident	10 Å²	10	37.7 Å²	37.7	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.9	-176.5	176	70.1	0	0	0	110.2	V301 D303 M308 T316 I440 F442 L475	V301-L409 PolarHBondContact O-N 2.96Å; D303-L409 WeakPolarHBondContact CB-O 3.12Å; D303-L409 PolarHBondContact N-O 2.69Å; M308-L409 HydrophobicContact CE-CD2 4.36Å; T316-L409 HydrophobicContact CG2-CD2 3.51Å; L409-I440 WeakPolarHBondContact CA-O 3.44Å; L409-I440 HydrophobicContact CB-CB 4.47Å; L409-I440 HydrophobicContact CD1-CB 3.65Å; L409-I440 HydrophobicContact CD1-CG2 3.5Å; L409-F442 HydrophobicContact CD1-CB 4.02Å; L409-F442 HydrophobicContact CD1-CD1 4.23Å; L409-L475 HydrophobicContact CD1-CD2 3.84Å; L409-L475 HydrophobicContact CD2-CD2 4.41Å
410	T	96.7	Very high	89.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.7	173.7	178.7	0	0	0	0	111.7	D303 F408 G412 I440 A441 F442 L451	D303-T410 VanDerWaalsContact OD2-CB 3.29Å; D303-T410 WeakPolarHBondContact OD2-CB 3.3Å; D303-T410 PolarHBondContact OD2-OG1 2.73Å; F408-T410 HydrophobicContact CD1-CG2 4.34Å; F408-T410 HydrophobicContact CE1-CG2 3.76Å; T410-G412 PolarHBondContact OG1-N 3.29Å; T410-G412 PolarHBondContact OG1-O 2.94Å; T410-I440 PolarHBondContact N-O 2.78Å; T410-I440 VanDerWaalsContact N-O 3.07Å; T410-A441 CarbonylContact O-C 3.59Å; T410-F442 PolarHBondContact O-N 2.97Å; T410-L451 HydrophobicContact CG2-CD1 3.75Å; T410-L451 HydrophobicContact CG2-CD2 3.99Å; T410-L451 HydrophobicContact CG2-CG 4.25Å
411	D	90.6	Very high	90.9	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-114.3	9.7	176.6	85.1	-40.8	0	0	0	113.9	S307 M308 K312 F442 D445 A446	S307-D411 WeakPolarHBondContact CB-OD1 3.19Å; S307-D411 WeakPolarHBondContact CB-OD2 3.34Å; S307-D411 PolarHBondContact OG-OD1 2.88Å; S307-D411 PolarHBondContact OG-OD2 2.78Å; M308-D411 HydrophobicContact CG-CB 4.36Å; M308-D411 WeakPolarHBondContact CG-OD1 3.34Å; M308-D411 PolarHBondContact N-OD2 3.07Å; M308-D411 HydrophobicContact SD-CB 3.71Å; K312-D411 HydrophobicContact CD-CB 3.78Å; K312-D411 WeakPolarHBondContact CD-OD2 3.4Å; K312-D411 WeakPolarHBondContact CE-OD2 3.44Å; K312-D411 IonicContact NZ-OD2 2.72Å; K312-D411 PolarHBondContact NZ-OD2 2.89Å; D411-F442 HydrophobicContact CB-CB 4.16Å; D411-F442 VanDerWaalsContact CB-O 3.25Å; D411-F442 WeakPolarHBondContact CB-O 3.17Å; D411-D445 CarbonylContact O-C 3.59Å; D411-A446 PolarHBondContact O-N 3.48Å
412	G	86.1	Confident	91.7	Very high	10 Å²	10	33.2 Å²	33.2	10%	0.103	21%	0.207	C	C	.	.	S	Bend	trans	-152.3	-168	-174	0	0	0	0	0	114.7	T410 D447	T410-G412 PolarHBondContact OG1-N 3.29Å; T410-G412 PolarHBondContact OG1-O 2.94Å; G412-D447 PolarHBondContact O-N 2.97Å
413	E	89.9	Confident	92.2	Very high	88 Å²	88	32.3 Å²	32.3	41%	0.411	21%	0.21	S	C	.	.			trans	-94	165.7	177.8	-53.4	-176.2	152.5	0	0	111.5	T374 T415 D447	T374-E413 WeakPolarHBondContact CB-O 3Å; T374-E413 WeakPolarHBondContact CG2-O 3.33Å; E413-T415 PolarHBondContact O-N 3.42Å; E413-D447 HydrophobicContact CG-CB 4.34Å
414	A	89.7	Confident	92.6	Very high	14 Å²	14	32.1 Å²	32.1	12%	0.116	21%	0.209	C	C	.	.			trans	-73	110.4	172.4	0	0	0	0	0	110.6	I376 T419 I424	I376-A414 HydrophobicContact CB-CB 4.2Å; I376-A414 HydrophobicContact CD1-CB 4.01Å; I376-A414 HydrophobicContact CG1-CB 4.05Å; A414-T419 WeakPolarHBondContact O-CB 3.24Å; A414-T419 WeakPolarHBondContact O-CG2 3.43Å; A414-I424 HydrophobicContact CB-CD1 3.71Å
415	T	87.6	Confident	92.7	Very high	65 Å²	65	30.7 Å²	30.7	40%	0.399	20%	0.2	S	C	.	.			trans	-108.9	-10.6	-172.8	50.6	0	0	0	0	114.7	T374 E413	T374-T415 WeakPolarHBondContact CB-OG1 3.15Å; T374-T415 PolarHBondContact N-OG1 3Å; T374-T415 PolarHBondContact O-N 2.7Å; T374-T415 PolarHBondContact OG1-OG1 3.1Å; E413-T415 PolarHBondContact O-N 3.42Å
416	T	88.5	Confident	92.6	Very high	50 Å²	50	34.2 Å²	34.2	31%	0.307	22%	0.219	S	C	.	.	S	Bend	trans	-151.6	161.9	174.2	-163.1	0	0	0	0	113	D340 W373 T374 N375	D340-T416 HydrophobicContact CB-CG2 4.06Å; W373-T416 HydrophobicContact CB-CG2 3.73Å; T374-T416 PolarHBondContact O-N 2.79Å; N375-T416 WeakPolarHBondContact CA-O 3.47Å; N375-T416 HydrophobicContact CB-CG2 3.95Å; N375-T416 PolarHBondContact OD1-O 2.97Å
417	G	94.1	Very high	92.6	Very high	56 Å²	56	36.4 Å²	36.4	58%	0.577	23%	0.23	S	C	*	.	S	Bend	trans	76.3	-122.8	-169.3	0	0	0	0	0	111.2
418	V	94.3	Very high	92.4	Very high	45 Å²	45	35.9 Å²	35.9	27%	0.273	23%	0.228	S	C	.	.			trans	-95.5	115.1	173.2	179.3	0	0	0	0	108.3	N377 T423 I424	N377-V418 HydrophobicContact CB-CB 3.76Å; N377-V418 HydrophobicContact CB-CG2 4.43Å; V418-T423 HydrophobicContact CG1-CG2 3.63Å; V418-I424 HydrophobicContact CG1-CG1 4.16Å; V418-I424 WeakPolarHBondContact O-CD1 3.46Å
419	T	90.7	Very high	92	Very high	77 Å²	77	39.3 Å²	39.3	47%	0.472	24%	0.243	S	C	.	.			trans	-104	-22.9	-175.8	57.4	0	0	0	0	113.7	A414 G421	A414-T419 WeakPolarHBondContact O-CB 3.24Å; A414-T419 WeakPolarHBondContact O-CG2 3.43Å; T419-G421 PolarHBondContact O-N 3.45Å
420	S	92.6	Very high	91.7	Very high	60 Å²	60	46.5 Å²	46.5	42%	0.42	27%	0.274	S	S	.	.			trans	-62.2	116.1	176.8	171.8	0	0	0	0	112	D422 T423 I424	S420-D422 PolarHBondContact O-N 2.79Å; S420-T423 WeakPolarHBondContact CB-OG1 3.42Å; S420-T423 WeakPolarHBondContact O-CB 3.43Å; S420-T423 PolarHBondContact O-N 3.19Å; S420-T423 PolarHBondContact OG-OG1 3.12Å; S420-T423 VanDerWaalsContact OG-OG1 3.11Å; S420-I424 WeakPolarHBondContact O-CG1 3.37Å; S420-I424 PolarHBondContact O-N 2.86Å
421	G	90	Very high	91.4	Very high	24 Å²	24	47.8 Å²	47.8	25%	0.247	28%	0.284	C	S	.	.	H	α-helix	trans	-53.7	-50.8	-176.9	0	0	0	0	0	113.8	T419 T423 I424 L425	T419-G421 PolarHBondContact O-N 3.45Å; G421-T423 VanDerWaalsContact C-N 3.25Å; G421-T423 PolarHBondContact O-N 2.8Å; G421-I424 WeakPolarHBondContact O-CB 3.33Å; G421-I424 PolarHBondContact O-N 2.87Å; G421-I424 VanDerWaalsContact O-N 3.13Å; G421-L425 VanDerWaalsContact O-CG 3.27Å; G421-L425 WeakPolarHBondContact O-CG 3.38Å; G421-L425 PolarHBondContact O-N 2.96Å
422	D	89.4	Confident	91.4	Very high	74 Å²	74	47.8 Å²	47.8	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-29	178.3	-67.2	-64.2	0	0	0	113.1	S420 N426 R453	S420-D422 PolarHBondContact O-N 2.79Å; D422-N426 WeakPolarHBondContact O-CB 3.33Å; D422-N426 PolarHBondContact O-N 3.18Å; D422-N426 VanDerWaalsContact O-N 3.08Å; D422-N426 PolarHBondContact O-ND2 3.08Å; D422-R453 IonicContact OD1-CZ 2.85Å; D422-R453 IonicContact OD1-NH1 2.65Å; D422-R453 PolarHBondContact OD1-NH1 3.35Å; D422-R453 IonicContact OD1-NH2 2.7Å; D422-R453 PolarHBondContact OD1-NH2 2.91Å; D422-R453 IonicContact OD2-NH1 3.63Å
423	T	94.2	Very high	91.3	Very high	59 Å²	59	49.7 Å²	49.7	36%	0.362	30%	0.304	S	S	.	.	H	α-helix	trans	-72.6	-42	173.1	-49.2	0	0	0	0	111.2	V418 S420 G421 N426 N427	V418-T423 HydrophobicContact CG1-CG2 3.63Å; S420-T423 WeakPolarHBondContact CB-OG1 3.42Å; S420-T423 WeakPolarHBondContact O-CB 3.43Å; S420-T423 PolarHBondContact O-N 3.19Å; S420-T423 PolarHBondContact OG-OG1 3.12Å; S420-T423 VanDerWaalsContact OG-OG1 3.11Å; G421-T423 VanDerWaalsContact C-N 3.25Å; G421-T423 PolarHBondContact O-N 2.8Å; T423-N426 PolarHBondContact O-N 2.98Å; T423-N427 WeakPolarHBondContact O-CB 3.32Å; T423-N427 PolarHBondContact O-N 3.18Å; T423-N427 PolarHBondContact O-ND2 3.38Å
424	I	95	Very high	90.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-46.7	175	-62.1	164.1	0	0	0	110.1	I376 N377 L380 A414 V418 S420 G421 N427 A428 L450 L454	I376-I424 HydrophobicContact CG2-CG2 3.86Å; N377-I424 HydrophobicContact CB-CG1 4.25Å; L380-I424 HydrophobicContact CD1-CG2 3.87Å; A414-I424 HydrophobicContact CB-CD1 3.71Å; V418-I424 HydrophobicContact CG1-CG1 4.16Å; V418-I424 WeakPolarHBondContact O-CD1 3.46Å; S420-I424 WeakPolarHBondContact O-CG1 3.37Å; S420-I424 PolarHBondContact O-N 2.86Å; G421-I424 WeakPolarHBondContact O-CB 3.33Å; G421-I424 PolarHBondContact O-N 2.87Å; G421-I424 VanDerWaalsContact O-N 3.13Å; I424-N427 PolarHBondContact O-N 2.69Å; I424-A428 WeakPolarHBondContact O-CB 3.22Å; I424-A428 PolarHBondContact O-N 3.28Å; I424-L450 HydrophobicContact CD1-CD2 3.93Å; I424-L454 HydrophobicContact CG2-CD1 4.32Å; I424-L454 HydrophobicContact CG2-CD2 4.31Å
425	L	92.4	Very high	90.9	Very high	0 Å²	0	48 Å²	48	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-53.1	177.6	-71.4	166.4	0	0	0	111.8	G421 N427 A428 K429 L450 R453 L454 E457	G421-L425 VanDerWaalsContact O-CG 3.27Å; G421-L425 WeakPolarHBondContact O-CG 3.38Å; G421-L425 PolarHBondContact O-N 2.96Å; L425-N427 VanDerWaalsContact C-N 3.3Å; L425-N427 PolarHBondContact O-N 3.45Å; L425-A428 PolarHBondContact O-N 2.84Å; L425-K429 WeakPolarHBondContact O-CB 3.27Å; L425-K429 PolarHBondContact O-N 3.12Å; L425-L450 HydrophobicContact CD1-CD1 4.18Å; L425-L450 HydrophobicContact CD2-CD1 4.13Å; L425-L450 HydrophobicContact CG-CD1 3.83Å; L425-R453 HydrophobicContact CD1-CB 3.85Å; L425-R453 VanDerWaalsContact CD2-C 3.46Å; L425-R453 HydrophobicContact CD2-CB 3.61Å; L425-R453 HydrophobicContact CG-CB 4.42Å; L425-L454 VanDerWaalsContact CD2-CA 3.46Å; L425-L454 HydrophobicContact CD2-CB 4.06Å; L425-L454 HydrophobicContact CD2-CD2 3.82Å; L425-L454 HydrophobicContact CD2-CG 3.59Å; L425-L454 HydrophobicContact CG-CG 4.5Å; L425-E457 WeakPolarHBondContact CD2-OE1 3.33Å
426	N	92.5	Very high	91.1	Very high	73 Å²	73	45 Å²	45	39%	0.39	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-38.3	178.1	-88.3	-79.9	0	0	0	112.9	D422 T423 K430	D422-N426 WeakPolarHBondContact O-CB 3.33Å; D422-N426 PolarHBondContact O-N 3.18Å; D422-N426 VanDerWaalsContact O-N 3.08Å; D422-N426 PolarHBondContact O-ND2 3.08Å; T423-N426 PolarHBondContact O-N 2.98Å; N426-K430 WeakPolarHBondContact O-CB 3.34Å; N426-K430 VanDerWaalsContact O-CD 3.3Å; N426-K430 WeakPolarHBondContact O-CD 3.37Å; N426-K430 WeakPolarHBondContact O-CG 3.38Å; N426-K430 PolarHBondContact O-N 3.49Å
427	N	95.4	Very high	91.4	Very high	46 Å²	46	42.6 Å²	42.6	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-70	-45	177.8	-72.6	-14.8	0	0	0	111.8	N377 T423 I424 L425 K430 A431	N377-N427 WeakPolarHBondContact OD1-CB 3.47Å; N377-N427 PolarHBondContact OD1-ND2 2.91Å; T423-N427 WeakPolarHBondContact O-CB 3.32Å; T423-N427 PolarHBondContact O-N 3.18Å; T423-N427 PolarHBondContact O-ND2 3.38Å; I424-N427 PolarHBondContact O-N 2.69Å; L425-N427 VanDerWaalsContact C-N 3.3Å; L425-N427 PolarHBondContact O-N 3.45Å; N427-K430 PolarHBondContact O-N 2.97Å; N427-A431 WeakPolarHBondContact O-CB 3.21Å; N427-A431 PolarHBondContact O-N 3.17Å; N427-A431 VanDerWaalsContact O-N 3.15Å
428	A	93.9	Very high	91.5	Very high	1 Å²	1	40 Å²	40	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-51.6	178.3	0	0	0	0	0	111.3	L380 I424 L425 K430 A431 L432 L454	L380-A428 HydrophobicContact CD1-CB 4.06Å; I424-A428 WeakPolarHBondContact O-CB 3.22Å; I424-A428 PolarHBondContact O-N 3.28Å; L425-A428 PolarHBondContact O-N 2.84Å; A428-K430 VanDerWaalsContact C-N 3.32Å; A428-K430 PolarHBondContact O-N 3.39Å; A428-A431 PolarHBondContact O-N 3.01Å; A428-L432 HydrophobicContact CB-CD1 4.07Å; A428-L432 VanDerWaalsContact O-CB 3.31Å; A428-L432 WeakPolarHBondContact O-CB 3.49Å; A428-L432 WeakPolarHBondContact O-CG 3.37Å; A428-L432 PolarHBondContact O-N 2.73Å; A428-L454 HydrophobicContact CB-CD2 3.51Å
429	K	90.1	Very high	91.5	Very high	73 Å²	73	37.8 Å²	37.8	32%	0.317	23%	0.228	S	C	.	.	H	α-helix	trans	-56	-41.6	178.9	-174.7	169.4	-167.4	165.9	0	113.4	L425 E457 N458	L425-K429 WeakPolarHBondContact O-CB 3.27Å; L425-K429 PolarHBondContact O-N 3.12Å; K429-E457 HydrophobicContact CD-CB 4.35Å; K429-E457 WeakPolarHBondContact CD-OE2 3.33Å; K429-E457 WeakPolarHBondContact CE-OE2 3.49Å; K429-E457 IonicContact NZ-OE2 2.81Å; K429-E457 PolarHBondContact NZ-OE2 2.8Å; K429-N458 WeakPolarHBondContact CA-OD1 3.39Å
430	K	91.1	Very high	91.7	Very high	161 Å²	161	34.4 Å²	34.4	70%	0.7	21%	0.206	S	C	*	.	H	α-helix	trans	-70	-30.8	177.3	-72.2	169.4	-170.8	172.7	0	113.3	N426 N427 A428	N426-K430 WeakPolarHBondContact O-CB 3.34Å; N426-K430 VanDerWaalsContact O-CD 3.3Å; N426-K430 WeakPolarHBondContact O-CD 3.37Å; N426-K430 WeakPolarHBondContact O-CG 3.38Å; N426-K430 PolarHBondContact O-N 3.49Å; N427-K430 PolarHBondContact O-N 2.97Å; A428-K430 VanDerWaalsContact C-N 3.32Å; A428-K430 PolarHBondContact O-N 3.39Å
431	A	92.2	Very high	91.6	Very high	27 Å²	27	31.5 Å²	31.5	22%	0.223	19%	0.186	C	C	.	.	H	α-helix	trans	-94.2	-37	-173.4	0	0	0	0	0	113.8	L381 A384 N388 N427 A428	L381-A431 HydrophobicContact CD2-CB 3.6Å; A384-A431 HydrophobicContact CB-CB 3.56Å; A384-A431 WeakPolarHBondContact CB-O 3.37Å; N388-A431 PolarHBondContact ND2-O 3.4Å; N427-A431 WeakPolarHBondContact O-CB 3.21Å; N427-A431 PolarHBondContact O-N 3.17Å; N427-A431 VanDerWaalsContact O-N 3.15Å; A428-A431 PolarHBondContact O-N 3.01Å
432	L	88.9	Confident	91.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-79.6	-37.8	-174.7	-69.9	170.9	0	0	0	112.6	A384 N388 V406 A428 S434 V435 L437 N458	A384-L432 HydrophobicContact CB-CD2 3.97Å; A384-L432 HydrophobicContact CB-CG 4.42Å; N388-L432 PolarHBondContact ND2-O 2.99Å; N388-L432 VanDerWaalsContact ND2-O 3.14Å; V406-L432 HydrophobicContact CG2-CD2 4.41Å; A428-L432 HydrophobicContact CB-CD1 4.07Å; A428-L432 VanDerWaalsContact O-CB 3.31Å; A428-L432 WeakPolarHBondContact O-CB 3.49Å; A428-L432 WeakPolarHBondContact O-CG 3.37Å; A428-L432 PolarHBondContact O-N 2.73Å; L432-S434 PolarHBondContact O-N 3.43Å; L432-S434 VanDerWaalsContact O-N 3.14Å; L432-V435 HydrophobicContact CB-CB 4.13Å; L432-V435 HydrophobicContact CD2-CB 4.34Å; L432-V435 HydrophobicContact CD2-CG1 4.16Å; L432-V435 HydrophobicContact CD2-CG2 4.47Å; L432-V435 VanDerWaalsContact O-CG2 3.23Å; L432-V435 WeakPolarHBondContact O-CG2 3.39Å; L432-V435 PolarHBondContact O-N 2.83Å; L432-L437 HydrophobicContact CD1-CD1 3.64Å; L432-N458 WeakPolarHBondContact CB-OD1 3.47Å; L432-N458 HydrophobicContact CD1-CB 4.3Å; L432-N458 WeakPolarHBondContact CD1-OD1 3.24Å
433	G	85.1	Confident	91.2	Very high	50 Å²	50	26.9 Å²	26.9	52%	0.515	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	-106.5	173.6	0	0	0	0	0	113.5
434	S	82.2	Confident	90.2	Very high	67 Å²	67	28.3 Å²	28.3	47%	0.469	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.5	179.9	60.5	0	0	0	0	114.5	L432 R459	L432-S434 PolarHBondContact O-N 3.43Å; L432-S434 VanDerWaalsContact O-N 3.14Å; S434-R459 WeakPolarHBondContact O-CD 3.22Å
435	V	88.8	Confident	89.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.			trans	-58.6	139.6	173.8	171.4	0	0	0	0	110.8	V387 P404 V406 L432	V387-V435 HydrophobicContact CB-CG2 3.94Å; V387-V435 HydrophobicContact CG1-CG2 3.76Å; V387-V435 HydrophobicContact CG2-CG2 3.94Å; P404-V435 HydrophobicContact CB-CG2 4.22Å; V406-V435 HydrophobicContact CB-CG1 4.08Å; V406-V435 HydrophobicContact CG2-CG1 3.62Å; L432-V435 HydrophobicContact CB-CB 4.13Å; L432-V435 HydrophobicContact CD2-CB 4.34Å; L432-V435 HydrophobicContact CD2-CG1 4.16Å; L432-V435 HydrophobicContact CD2-CG2 4.47Å; L432-V435 VanDerWaalsContact O-CG2 3.23Å; L432-V435 WeakPolarHBondContact O-CG2 3.39Å; L432-V435 PolarHBondContact O-N 2.83Å
436	T	91.6	Very high	88.9	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116	166.9	-61.4	0	0	0	0	109.4	P404 L405 V406 F438 N458 N509 P872	P404-T436 PolarHBondContact O-N 3.19Å; L405-T436 WeakPolarHBondContact CA-O 3.46Å; L405-T436 HydrophobicContact CD2-CG2 3.95Å; V406-T436 PolarHBondContact N-O 3.15Å; T436-F438 HydrophobicContact CG2-CD2 4.4Å; T436-F438 HydrophobicContact CG2-CE1 4.06Å; T436-F438 HydrophobicContact CG2-CE2 3.75Å; T436-F438 HydrophobicContact CG2-CZ 3.55Å; T436-N458 WeakPolarHBondContact CA-O 3.29Å; T436-N509 PolarHBondContact OG1-ND2 3.45Å; T436-P872 HydrophobicContact CG2-CG 4.04Å
437	L	94.6	Very high	88.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128	176.7	-175.5	146.5	0	0	0	111.1	L380 V406 L432 L454 A455 N458 G460	L380-L437 HydrophobicContact CD2-CD1 3.55Å; V406-L437 HydrophobicContact CB-CG 4.48Å; V406-L437 HydrophobicContact CG1-CD1 4.13Å; V406-L437 HydrophobicContact CG1-CG 4.2Å; L432-L437 HydrophobicContact CD1-CD1 3.64Å; L437-L454 HydrophobicContact CD2-CB 4.36Å; L437-A455 HydrophobicContact CD2-CB 3.99Å; L437-N458 HydrophobicContact CB-CB 3.78Å; L437-N458 PolarHBondContact N-O 3.25Å; L437-G460 WeakPolarHBondContact O-CA 3.22Å
438	F	95.5	Very high	88.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.9	170.5	-64.5	-63.2	0	0	0	110.3	L405 V406 I407 F408 T436 V461 F478 V482 F511 P872	L405-F438 HydrophobicContact CD1-CE2 4.48Å; L405-F438 HydrophobicContact CD2-CE2 3.96Å; V406-F438 PolarHBondContact O-N 3.29Å; I407-F438 HydrophobicContact CG1-CB 4.3Å; I407-F438 HydrophobicContact CG1-CD2 4.16Å; F408-F438 PolarHBondContact N-O 2.88Å; T436-F438 HydrophobicContact CG2-CD2 4.4Å; T436-F438 HydrophobicContact CG2-CE1 4.06Å; T436-F438 HydrophobicContact CG2-CE2 3.75Å; T436-F438 HydrophobicContact CG2-CZ 3.55Å; F438-V461 CarbonylContact C-O 3.59Å; F438-V461 WeakPolarHBondContact CA-O 3.26Å; F438-V461 HydrophobicContact CD1-CG2 4.08Å; F438-V461 HydrophobicContact CE1-CG2 4.28Å; F438-F478 HydrophobicContact CB-CE1 3.93Å; F438-F478 HydrophobicContact CB-CZ 3.66Å; F438-F478 HydrophobicContact CD1-CE2 4.46Å; F438-F478 AromaticContact CD1-CZ 3.71Å; F438-F478 HydrophobicContact CD1-CZ 3.71Å; F438-F478 HydrophobicContact CD2-CZ 4.32Å; F438-F478 HydrophobicContact CE1-CZ 4.43Å; F438-F478 HydrophobicContact CG-CE1 4.2Å; F438-F478 AromaticContact CG-CZ 3.64Å; F438-F478 HydrophobicContact CG-CZ 3.64Å; F438-V482 HydrophobicContact CD2-CG2 4.46Å; F438-V482 HydrophobicContact CE1-CG1 4.01Å; F438-V482 HydrophobicContact CE2-CB 3.94Å; F438-V482 HydrophobicContact CE2-CG1 3.89Å; F438-V482 HydrophobicContact CE2-CG2 4.2Å; F438-V482 HydrophobicContact CZ-CB 4.1Å; F438-V482 HydrophobicContact CZ-CG1 3.62Å; F438-F511 HydrophobicContact CE2-CZ 4.27Å; F438-F511 AromaticContact CZ-CE2 3.9Å; F438-F511 HydrophobicContact CZ-CE2 3.9Å; F438-F511 AromaticContact CZ-CZ 3.89Å; F438-F511 HydrophobicContact CZ-CZ 3.89Å; F438-P872 HydrophobicContact CE1-CG 4Å; F438-P872 HydrophobicContact CZ-CG 3.98Å
439	G	95.2	Very high	87.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138	172.4	0	0	0	0	0	111.2	F408 V461 A462 R463	F408-G439 CarbonylContact O-C 3.49Å; G439-V461 PolarHBondContact N-O 3.3Å; G439-A462 CarbonylContact O-C 3.57Å; G439-A462 WeakPolarHBondContact O-CA 3.31Å; G439-R463 PolarHBondContact O-N 3.35Å
440	I	95.1	Very high	87.8	Confident	5 Å²	5	32.2 Å²	32.2	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	111.4	169.6	-49.8	-179.5	0	0	0	108.2	I407 F408 L409 T410 R463 V465 L475 F478	I407-I440 HydrophobicContact CG2-CD1 3.56Å; I407-I440 HydrophobicContact CG2-CG1 4.22Å; F408-I440 PolarHBondContact O-N 3.42Å; L409-I440 WeakPolarHBondContact CA-O 3.44Å; L409-I440 HydrophobicContact CB-CB 4.47Å; L409-I440 HydrophobicContact CD1-CB 3.65Å; L409-I440 HydrophobicContact CD1-CG2 3.5Å; T410-I440 PolarHBondContact N-O 2.78Å; T410-I440 VanDerWaalsContact N-O 3.07Å; I440-R463 WeakPolarHBondContact CA-O 3.44Å; I440-V465 HydrophobicContact CG2-CB 4.24Å; I440-V465 HydrophobicContact CG2-CG2 3.59Å; I440-L475 HydrophobicContact CD1-CD2 4.04Å; I440-L475 HydrophobicContact CG2-CD2 3.9Å; I440-F478 HydrophobicContact CD1-CD1 3.6Å; I440-F478 HydrophobicContact CD1-CE1 3.96Å; I440-F478 HydrophobicContact CD1-CG 4.45Å; I440-F478 HydrophobicContact CG1-CD1 4.23Å; I440-F478 HydrophobicContact CG1-CE1 4.27Å
441	A	91.3	Very high	87.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.5	166.2	0	0	0	0	0	108.6	T410 A446 F448 L451 R463 M464 V465	T410-A441 CarbonylContact O-C 3.59Å; A441-A446 HydrophobicContact CB-CB 3.77Å; A441-F448 HydrophobicContact CB-CB 4.26Å; A441-F448 HydrophobicContact CB-CD2 3.7Å; A441-F448 HydrophobicContact CB-CG 4.39Å; A441-L451 HydrophobicContact CB-CD1 3.87Å; A441-R463 PolarHBondContact N-O 2.98Å; A441-M464 HydrophobicContact CB-CE 3.59Å; A441-M464 HydrophobicContact CB-SD 3.69Å; A441-M464 CarbonylContact O-C 3.51Å; A441-V465 PolarHBondContact O-N 3.32Å
442	F	90.9	Very high	87.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	83.5	176.4	-162.4	165.9	0	0	0	110.6	M308 K312 Q315 T316 L409 T410 D411 V465 E467 A471 L475	M308-F442 HydrophobicContact CE-CD1 4.49Å; M308-F442 HydrophobicContact SD-CD1 4.47Å; K312-F442 HydrophobicContact CB-CD1 4.13Å; K312-F442 HydrophobicContact CB-CE1 3.87Å; K312-F442 HydrophobicContact CB-CE2 4.44Å; K312-F442 HydrophobicContact CB-CZ 4.03Å; K312-F442 HydrophobicContact CD-CD2 4.48Å; K312-F442 HydrophobicContact CG-CE2 4.45Å; K312-F442 HydrophobicContact CG-CZ 4.49Å; K312-F442 WeakPolarHBondContact O-CE1 3.34Å; Q315-F442 HydrophobicContact CB-CE1 4.47Å; Q315-F442 HydrophobicContact CB-CZ 4.1Å; T316-F442 WeakPolarHBondContact OG1-CE1 3.27Å; L409-F442 HydrophobicContact CD1-CB 4.02Å; L409-F442 HydrophobicContact CD1-CD1 4.23Å; T410-F442 PolarHBondContact O-N 2.97Å; D411-F442 HydrophobicContact CB-CB 4.16Å; D411-F442 VanDerWaalsContact CB-O 3.25Å; D411-F442 WeakPolarHBondContact CB-O 3.17Å; F442-V465 CarbonylContact C-O 3.57Å; F442-V465 WeakPolarHBondContact CA-O 3.43Å; F442-V465 HydrophobicContact CD2-CB 4.39Å; F442-V465 HydrophobicContact CD2-CG1 3.86Å; F442-V465 HydrophobicContact CE2-CG1 3.93Å; F442-V465 HydrophobicContact CG-CG1 4.35Å; F442-V465 HydrophobicContact CZ-CG1 4.46Å; F442-E467 HydrophobicContact CD2-CG 4.19Å; F442-E467 HydrophobicContact CE2-CG 4.2Å; F442-A471 HydrophobicContact CE2-CB 3.62Å; F442-A471 HydrophobicContact CZ-CB 3.61Å; F442-L475 HydrophobicContact CE1-CD1 4.11Å
443	G	80.1	Confident	87.5	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	105.6	172.7	176.6	0	0	0	0	0	114.7	D445 A446 M464 V465	G443-D445 PolarHBondContact O-N 3.03Å; G443-A446 PolarHBondContact O-N 3.44Å; G443-M464 WeakPolarHBondContact O-CE 3.39Å; G443-V465 PolarHBondContact N-O 3.33Å
444	D	72.9	Confident	87.8	Confident	88 Å²	88	23 Å²	23	47%	0.471	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.1	-171.5	-61.7	-29.7	0	0	0	113.8	K993	D444-K993 IonicContact OD2-NZ 3.92Å
445	D	77.5	Confident	88.2	Confident	92 Å²	92	19.8 Å²	19.8	49%	0.492	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-6.4	-175.7	-63	-36.4	0	0	0	113.6	D411 G443	D411-D445 CarbonylContact O-C 3.59Å; G443-D445 PolarHBondContact O-N 3.03Å
446	A	83.1	Confident	88.1	Confident	13 Å²	13	20 Å²	20	11%	0.107	10%	0.103	C	C	.	.	S	Bend	trans	-84.4	144.4	-178.4	0	0	0	0	0	113.1	D411 A441 G443 F448	D411-A446 PolarHBondContact O-N 3.48Å; A441-A446 HydrophobicContact CB-CB 3.77Å; G443-A446 PolarHBondContact O-N 3.44Å; A446-F448 VanDerWaalsContact C-N 3.26Å; A446-F448 PolarHBondContact O-N 2.79Å
447	D	86.5	Confident	87.9	Confident	50 Å²	50	20.9 Å²	20.9	27%	0.267	11%	0.108	S	C	.	.			trans	-73.8	79.1	173.6	-170.7	-10.1	0	0	0	111.7	G412 E413 L449 L450 L451	G412-D447 PolarHBondContact O-N 2.97Å; E413-D447 HydrophobicContact CG-CB 4.34Å; D447-L449 PolarHBondContact O-N 3.43Å; D447-L449 WeakPolarHBondContact OD1-CB 3.45Å; D447-L449 PolarHBondContact OD1-N 3.38Å; D447-L449 VanDerWaalsContact OD1-N 3.09Å; D447-L450 HydrophobicContact CB-CB 4.12Å; D447-L450 PolarHBondContact O-N 2.6Å; D447-L450 PolarHBondContact OD1-N 3.47Å; D447-L450 WeakPolarHBondContact OD2-CB 3.47Å; D447-L451 WeakPolarHBondContact O-CG 3.22Å; D447-L451 PolarHBondContact O-N 2.93Å
448	F	86.1	Confident	87.6	Confident	35 Å²	35	20.9 Å²	20.9	15%	0.154	11%	0.108	C	C	.	.	H	α-helix	trans	-65.4	-22.7	177.4	-172	-117.6	0	0	0	112.9	A441 A446 R452 A462 M464 E882	A441-F448 HydrophobicContact CB-CB 4.26Å; A441-F448 HydrophobicContact CB-CD2 3.7Å; A441-F448 HydrophobicContact CB-CG 4.39Å; A446-F448 VanDerWaalsContact C-N 3.26Å; A446-F448 PolarHBondContact O-N 2.79Å; F448-R452 WeakPolarHBondContact O-CB 3.24Å; F448-R452 PolarHBondContact O-N 3.16Å; F448-A462 HydrophobicContact CD2-CB 4.18Å; F448-A462 HydrophobicContact CE2-CB 3.58Å; F448-A462 HydrophobicContact CZ-CB 4.22Å; F448-M464 HydrophobicContact CB-CE 4.1Å; F448-M464 HydrophobicContact CD2-CE 4.4Å; F448-M464 HydrophobicContact CG-CE 4.22Å; F448-E882 HydrophobicContact CD1-CG 4.4Å; F448-E882 HydrophobicContact CE1-CB 4.34Å; F448-E882 HydrophobicContact CE1-CG 3.93Å
449	L	84.5	Confident	87.3	Confident	76 Å²	76	24.7 Å²	24.7	40%	0.398	12%	0.122	S	C	.	.	H	α-helix	trans	-74.5	-46.2	179.2	-172	66.4	0	0	0	110.8	D447 R452 R453 L592	D447-L449 PolarHBondContact O-N 3.43Å; D447-L449 WeakPolarHBondContact OD1-CB 3.45Å; D447-L449 PolarHBondContact OD1-N 3.38Å; D447-L449 VanDerWaalsContact OD1-N 3.09Å; L449-R452 PolarHBondContact O-N 2.96Å; L449-R453 PolarHBondContact O-N 2.91Å; L449-L592 HydrophobicContact CD1-CD1 3.66Å
450	L	89.9	Confident	86.9	Confident	9 Å²	9	24.7 Å²	24.7	5%	0.047	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-45.4	171.3	175.7	60.2	0	0	0	111.2	I376 I424 L425 D447 R452 R453 L454	I376-L450 HydrophobicContact CD1-CD2 4.4Å; I424-L450 HydrophobicContact CD1-CD2 3.93Å; L425-L450 HydrophobicContact CD1-CD1 4.18Å; L425-L450 HydrophobicContact CD2-CD1 4.13Å; L425-L450 HydrophobicContact CG-CD1 3.83Å; D447-L450 HydrophobicContact CB-CB 4.12Å; D447-L450 PolarHBondContact O-N 2.6Å; D447-L450 PolarHBondContact OD1-N 3.47Å; D447-L450 WeakPolarHBondContact OD2-CB 3.47Å; L450-R452 VanDerWaalsContact C-N 3.32Å; L450-R452 PolarHBondContact O-N 3.44Å; L450-R453 PolarHBondContact O-N 3.21Å; L450-L454 HydrophobicContact CD1-CD1 4.15Å; L450-L454 HydrophobicContact CD1-CG 4.17Å; L450-L454 HydrophobicContact CG-CD1 3.95Å; L450-L454 HydrophobicContact CG-CG 4.44Å; L450-L454 VanDerWaalsContact O-CB 3.27Å; L450-L454 WeakPolarHBondContact O-CB 3.5Å; L450-L454 WeakPolarHBondContact O-CG 3.45Å; L450-L454 PolarHBondContact O-N 2.87Å
451	L	91.4	Very high	86.5	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-39.6	176.3	-70.5	176.8	0	0	0	112.5	F408 T410 A441 D447 L454 A455 A462	F408-L451 HydrophobicContact CD1-CD2 3.61Å; F408-L451 HydrophobicContact CE1-CD2 3.85Å; T410-L451 HydrophobicContact CG2-CD1 3.75Å; T410-L451 HydrophobicContact CG2-CD2 3.99Å; T410-L451 HydrophobicContact CG2-CG 4.25Å; A441-L451 HydrophobicContact CB-CD1 3.87Å; D447-L451 WeakPolarHBondContact O-CG 3.22Å; D447-L451 PolarHBondContact O-N 2.93Å; L451-L454 HydrophobicContact CD2-CD1 4.43Å; L451-L454 PolarHBondContact O-N 3.26Å; L451-A455 WeakPolarHBondContact O-CB 3.47Å; L451-A455 PolarHBondContact O-N 2.86Å; L451-A462 HydrophobicContact CB-CB 4.13Å
452	R	85.9	Confident	86.3	Confident	3 Å²	3	25.1 Å²	25.1	1%	0.011	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-47.6	176.2	-178.1	177.6	178.5	166.1	19.3	111.5	F448 L449 L450 A455 L456 A462 L592 P878 G879 E882	F448-R452 WeakPolarHBondContact O-CB 3.24Å; F448-R452 PolarHBondContact O-N 3.16Å; L449-R452 PolarHBondContact O-N 2.96Å; L450-R452 VanDerWaalsContact C-N 3.32Å; L450-R452 PolarHBondContact O-N 3.44Å; R452-A455 PolarHBondContact O-N 3.17Å; R452-L456 HydrophobicContact CG-CD1 3.94Å; R452-L456 WeakPolarHBondContact O-CB 3.27Å; R452-L456 VanDerWaalsContact O-CG 3.24Å; R452-L456 WeakPolarHBondContact O-CG 3.4Å; R452-L456 PolarHBondContact O-N 2.81Å; R452-A462 HydrophobicContact CB-CB 4.23Å; R452-L592 VanDerWaalsContact CD-CD2 3.42Å; R452-L592 HydrophobicContact CG-CD2 3.83Å; R452-P878 HydrophobicContact CG-CG 4.11Å; R452-P878 VanDerWaalsContact NH2-C 3.32Å; R452-P878 PolarHBondContact NH2-O 3.4Å; R452-G879 PolarHBondContact NH1-O 3.01Å; R452-G879 PolarHBondContact NH2-O 3.41Å; R452-E882 IonicContact CZ-OE2 3.64Å; R452-E882 IonicContact NE-OE2 3.72Å; R452-E882 VanDerWaalsContact NH1-CB 3.29Å; R452-E882 PolarHBondContact NH1-O 3.11Å; R452-E882 IonicContact NH1-OE2 3.52Å; R452-E882 PolarHBondContact NH1-OE2 3.18Å; R452-E882 IonicContact NH2-OE2 2.73Å
453	R	89.2	Confident	86	Confident	40 Å²	40	28 Å²	28	15%	0.151	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-44.2	175.2	-71.2	-178.6	67.1	-156.8	-5.5	111.2	D422 L425 L449 L450 A455 L456 E457 L592	D422-R453 IonicContact OD1-CZ 2.85Å; D422-R453 IonicContact OD1-NH1 2.65Å; D422-R453 PolarHBondContact OD1-NH1 3.35Å; D422-R453 IonicContact OD1-NH2 2.7Å; D422-R453 PolarHBondContact OD1-NH2 2.91Å; D422-R453 IonicContact OD2-NH1 3.63Å; L425-R453 HydrophobicContact CD1-CB 3.85Å; L425-R453 VanDerWaalsContact CD2-C 3.46Å; L425-R453 HydrophobicContact CD2-CB 3.61Å; L425-R453 HydrophobicContact CG-CB 4.42Å; L449-R453 PolarHBondContact O-N 2.91Å; L450-R453 PolarHBondContact O-N 3.21Å; R453-A455 VanDerWaalsContact C-N 3.34Å; R453-A455 PolarHBondContact O-N 3.32Å; R453-L456 PolarHBondContact O-N 2.98Å; R453-E457 WeakPolarHBondContact O-CB 3.33Å; R453-E457 WeakPolarHBondContact O-CG 3.36Å; R453-E457 PolarHBondContact O-N 2.93Å; R453-L592 HydrophobicContact CG-CD1 4.06Å; R453-L592 HydrophobicContact CG-CG 4.07Å
454	L	91.4	Very high	86.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.5	-47.1	177.8	-88.3	169.4	0	0	0	111.9	I376 L380 I424 L425 A428 L437 L450 L451 N458	I376-L454 HydrophobicContact CG2-CD1 4.46Å; L380-L454 HydrophobicContact CD1-CD1 3.95Å; L380-L454 HydrophobicContact CD1-CD2 3.81Å; I424-L454 HydrophobicContact CG2-CD1 4.32Å; I424-L454 HydrophobicContact CG2-CD2 4.31Å; L425-L454 VanDerWaalsContact CD2-CA 3.46Å; L425-L454 HydrophobicContact CD2-CB 4.06Å; L425-L454 HydrophobicContact CD2-CD2 3.82Å; L425-L454 HydrophobicContact CD2-CG 3.59Å; L425-L454 HydrophobicContact CG-CG 4.5Å; A428-L454 HydrophobicContact CB-CD2 3.51Å; L437-L454 HydrophobicContact CD2-CB 4.36Å; L450-L454 HydrophobicContact CD1-CD1 4.15Å; L450-L454 HydrophobicContact CD1-CG 4.17Å; L450-L454 HydrophobicContact CG-CD1 3.95Å; L450-L454 HydrophobicContact CG-CG 4.44Å; L450-L454 VanDerWaalsContact O-CB 3.27Å; L450-L454 WeakPolarHBondContact O-CB 3.5Å; L450-L454 WeakPolarHBondContact O-CG 3.45Å; L450-L454 PolarHBondContact O-N 2.87Å; L451-L454 HydrophobicContact CD2-CD1 4.43Å; L451-L454 PolarHBondContact O-N 3.26Å; L454-N458 WeakPolarHBondContact O-CB 3.45Å; L454-N458 PolarHBondContact O-N 3.05Å; L454-N458 PolarHBondContact O-ND2 2.64Å
455	A	91.2	Very high	86.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71	-43.9	-177.9	0	0	0	0	0	112	L437 L451 R452 R453 E457 N458 R459 G460 V461	L437-A455 HydrophobicContact CD2-CB 3.99Å; L451-A455 WeakPolarHBondContact O-CB 3.47Å; L451-A455 PolarHBondContact O-N 2.86Å; R452-A455 PolarHBondContact O-N 3.17Å; R453-A455 VanDerWaalsContact C-N 3.34Å; R453-A455 PolarHBondContact O-N 3.32Å; A455-E457 PolarHBondContact O-N 3.49Å; A455-N458 CarbonylContact O-C 3.59Å; A455-N458 PolarHBondContact O-N 2.81Å; A455-N458 VanDerWaalsContact O-N 3.07Å; A455-R459 PolarHBondContact O-N 2.81Å; A455-G460 CarbonylContact C-O 3.56Å; A455-G460 CarbonylContact O-C 3.55Å; A455-G460 PolarHBondContact O-N 3.08Å; A455-G460 VanDerWaalsContact O-O 3.07Å; A455-V461 VanDerWaalsContact CB-CA 3.49Å; A455-V461 WeakPolarHBondContact CB-O 3.28Å
456	L	86.1	Confident	86.8	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-59.1	-46.4	176.5	-72.5	169.3	0	0	0	112	R452 R453 N458 L589 L592 P878	R452-L456 HydrophobicContact CG-CD1 3.94Å; R452-L456 WeakPolarHBondContact O-CB 3.27Å; R452-L456 VanDerWaalsContact O-CG 3.24Å; R452-L456 WeakPolarHBondContact O-CG 3.4Å; R452-L456 PolarHBondContact O-N 2.81Å; R453-L456 PolarHBondContact O-N 2.98Å; L456-N458 PolarHBondContact O-N 2.85Å; L456-L589 HydrophobicContact CD1-CD2 4.13Å; L456-L589 HydrophobicContact CD2-CD2 4.38Å; L456-L592 HydrophobicContact CD1-CD2 4.11Å; L456-P878 HydrophobicContact CD2-CG 4.3Å
457	E	86.6	Confident	86.7	Confident	21 Å²	21	29.5 Å²	29.5	10%	0.098	13%	0.132	C	C	.	.	H	α-helix	trans	-67.5	-18.5	177.4	-71	-168.1	-113.2	0	0	113.2	L425 K429 R453 A455 N593	L425-E457 WeakPolarHBondContact CD2-OE1 3.33Å; K429-E457 HydrophobicContact CD-CB 4.35Å; K429-E457 WeakPolarHBondContact CD-OE2 3.33Å; K429-E457 WeakPolarHBondContact CE-OE2 3.49Å; K429-E457 IonicContact NZ-OE2 2.81Å; K429-E457 PolarHBondContact NZ-OE2 2.8Å; R453-E457 WeakPolarHBondContact O-CB 3.33Å; R453-E457 WeakPolarHBondContact O-CG 3.36Å; R453-E457 PolarHBondContact O-N 2.93Å; A455-E457 PolarHBondContact O-N 3.49Å; E457-N593 VanDerWaalsContact CG-OD1 3.29Å; E457-N593 WeakPolarHBondContact CG-OD1 3.33Å
458	N	89.8	Confident	86.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	48.5	-177.5	-62.6	-89.7	0	0	0	112	K429 L432 T436 L437 L454 A455 L456 G460	K429-N458 WeakPolarHBondContact CA-OD1 3.39Å; L432-N458 WeakPolarHBondContact CB-OD1 3.47Å; L432-N458 HydrophobicContact CD1-CB 4.3Å; L432-N458 WeakPolarHBondContact CD1-OD1 3.24Å; T436-N458 WeakPolarHBondContact CA-O 3.29Å; L437-N458 HydrophobicContact CB-CB 3.78Å; L437-N458 PolarHBondContact N-O 3.25Å; L454-N458 WeakPolarHBondContact O-CB 3.45Å; L454-N458 PolarHBondContact O-N 3.05Å; L454-N458 PolarHBondContact O-ND2 2.64Å; A455-N458 CarbonylContact O-C 3.59Å; A455-N458 PolarHBondContact O-N 2.81Å; A455-N458 VanDerWaalsContact O-N 3.07Å; L456-N458 PolarHBondContact O-N 2.85Å; N458-G460 VanDerWaalsContact C-N 3.27Å; N458-G460 PolarHBondContact O-N 3.49Å; N458-G460 VanDerWaalsContact O-N 3.1Å
459	R	88.4	Confident	85.3	Confident	79 Å²	79	32.8 Å²	32.8	30%	0.298	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	13.9	165.2	-67.7	178.6	170.2	-133.2	-3.6	117	S434 A455 D489 P508 A869	S434-R459 WeakPolarHBondContact O-CD 3.22Å; A455-R459 PolarHBondContact O-N 2.81Å; R459-D489 IonicContact CZ-OD1 2.77Å; R459-D489 IonicContact NH1-OD1 3.43Å; R459-D489 PolarHBondContact NH1-OD1 2.9Å; R459-D489 IonicContact NH2-OD1 2.65Å; R459-P508 HydrophobicContact CB-CB 4.06Å; R459-P508 HydrophobicContact CB-CG 3.8Å; R459-P508 HydrophobicContact CG-CB 4.32Å; R459-P508 HydrophobicContact CG-CG 3.9Å; R459-A869 VanDerWaalsContact C-CB 3.48Å; R459-A869 WeakPolarHBondContact O-CB 3.49Å
460	G	87.7	Confident	84.8	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-142.9	-155.3	-179.4	0	0	0	0	0	114.3	L437 A455 N458	L437-G460 WeakPolarHBondContact O-CA 3.22Å; A455-G460 CarbonylContact C-O 3.56Å; A455-G460 CarbonylContact O-C 3.55Å; A455-G460 PolarHBondContact O-N 3.08Å; A455-G460 VanDerWaalsContact O-O 3.07Å; N458-G460 VanDerWaalsContact C-N 3.27Å; N458-G460 PolarHBondContact O-N 3.49Å; N458-G460 VanDerWaalsContact O-N 3.1Å
461	V	85.6	Confident	84.6	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.03	15%	0.145	C	C	.	.			trans	-136.7	162.5	-175.6	-67.7	0	0	0	0	113.7	F438 G439 A455 M871	F438-V461 CarbonylContact C-O 3.59Å; F438-V461 WeakPolarHBondContact CA-O 3.26Å; F438-V461 HydrophobicContact CD1-CG2 4.08Å; F438-V461 HydrophobicContact CE1-CG2 4.28Å; G439-V461 PolarHBondContact N-O 3.3Å; A455-V461 VanDerWaalsContact CB-CA 3.49Å; A455-V461 WeakPolarHBondContact CB-O 3.28Å; V461-M871 HydrophobicContact CB-CG 4.35Å; V461-M871 HydrophobicContact CG1-CB 4.22Å; V461-M871 HydrophobicContact CG1-CG 4.05Å; V461-M871 HydrophobicContact CG2-CB 4.43Å; V461-M871 HydrophobicContact CG2-CG 3.6Å; V461-M871 HydrophobicContact CG2-SD 3.45Å; V461-M871 WeakPolarHBondContact CG2-SD 3.45Å
462	A	87.4	Confident	84.5	Confident	10 Å²	10	29.8 Å²	29.8	8%	0.083	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.8	168	0	0	0	0	0	111.7	G439 F448 L451 R452	G439-A462 CarbonylContact O-C 3.57Å; G439-A462 WeakPolarHBondContact O-CA 3.31Å; F448-A462 HydrophobicContact CD2-CB 4.18Å; F448-A462 HydrophobicContact CE2-CB 3.58Å; F448-A462 HydrophobicContact CZ-CB 4.22Å; L451-A462 HydrophobicContact CB-CB 4.13Å; R452-A462 HydrophobicContact CB-CB 4.23Å
463	R	85.8	Confident	84.6	Confident	61 Å²	61	34 Å²	34	23%	0.23	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.6	170.4	173.4	175.1	-78.7	177.2	2.3	110.6	R169 G439 I440 A441 F478 E481	R169-R463 VanDerWaalsContact NH1-NH2 3.1Å; G439-R463 PolarHBondContact O-N 3.35Å; I440-R463 WeakPolarHBondContact CA-O 3.44Å; A441-R463 PolarHBondContact N-O 2.98Å; R463-F478 HydrophobicContact CB-CD2 4.41Å; R463-E481 IonicContact CZ-OE1 3.78Å; R463-E481 VanDerWaalsContact CZ-OE1 3.25Å; R463-E481 IonicContact CZ-OE2 2.61Å; R463-E481 IonicContact NH1-OE1 3.53Å; R463-E481 PolarHBondContact NH1-OE1 2.74Å; R463-E481 IonicContact NH2-OE1 3.14Å; R463-E481 PolarHBondContact NH2-OE1 2.81Å; R463-E481 IonicContact NH2-OE2 2.78Å; R463-E481 PolarHBondContact NH2-OE2 2.88Å
464	M	82.7	Confident	84.4	Confident	38 Å²	38	34 Å²	34	19%	0.187	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	138.3	168.2	-178	57.4	74.6	0	0	110.7	A441 G443 F448 Y466	A441-M464 HydrophobicContact CB-CE 3.59Å; A441-M464 HydrophobicContact CB-SD 3.69Å; A441-M464 CarbonylContact O-C 3.51Å; G443-M464 WeakPolarHBondContact O-CE 3.39Å; F448-M464 HydrophobicContact CB-CE 4.1Å; F448-M464 HydrophobicContact CD2-CE 4.4Å; F448-M464 HydrophobicContact CG-CE 4.22Å; M464-Y466 HydrophobicContact CG-CD1 4.13Å; M464-Y466 HydrophobicContact CG-CE1 3.66Å; M464-Y466 HydrophobicContact CG-CE2 4.15Å
465	V	84	Confident	84.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.7	169.8	168.5	0	0	0	0	107.6	I440 A441 F442 G443 A471 Q474 L475	I440-V465 HydrophobicContact CG2-CB 4.24Å; I440-V465 HydrophobicContact CG2-CG2 3.59Å; A441-V465 PolarHBondContact O-N 3.32Å; F442-V465 CarbonylContact C-O 3.57Å; F442-V465 WeakPolarHBondContact CA-O 3.43Å; F442-V465 HydrophobicContact CD2-CB 4.39Å; F442-V465 HydrophobicContact CD2-CG1 3.86Å; F442-V465 HydrophobicContact CE2-CG1 3.93Å; F442-V465 HydrophobicContact CG-CG1 4.35Å; F442-V465 HydrophobicContact CZ-CG1 4.46Å; G443-V465 PolarHBondContact N-O 3.33Å; V465-A471 HydrophobicContact CG1-CB 3.86Å; V465-Q474 HydrophobicContact CG1-CB 4.09Å; V465-Q474 HydrophobicContact CG2-CB 4.22Å; V465-L475 HydrophobicContact CG1-CG 4.26Å; V465-L475 HydrophobicContact CG2-CD2 4.04Å; V465-L475 HydrophobicContact CG2-CG 4.34Å
466	Y	79.8	Confident	84.3	Confident	98 Å²	98	35.8 Å²	35.8	38%	0.384	18%	0.179	S	C	.	.			trans	-83.9	149	-174.8	-61.1	-78.9	0	0	0	111.6	M464 E468 A471	M464-Y466 HydrophobicContact CG-CD1 4.13Å; M464-Y466 HydrophobicContact CG-CE1 3.66Å; M464-Y466 HydrophobicContact CG-CE2 4.15Å; Y466-E468 PolarHBondContact O-N 2.84Å; Y466-A471 WeakPolarHBondContact O-CB 3.49Å
467	E	79.9	Confident	84.5	Confident	88 Å²	88	36.8 Å²	36.8	41%	0.411	19%	0.189	S	C	.	.	S	Bend	trans	-75.9	48.4	179.8	-65.8	-173.5	-137.2	0	0	113.4	K312 F442	K312-E467 HydrophobicContact CD-CG 4.24Å; K312-E467 WeakPolarHBondContact CE-OE1 3.2Å; K312-E467 WeakPolarHBondContact CE-OE2 3.25Å; K312-E467 HydrophobicContact CG-CG 4.44Å; K312-E467 IonicContact NZ-OE1 2.66Å; K312-E467 PolarHBondContact NZ-OE1 2.82Å; K312-E467 IonicContact NZ-OE2 3.25Å; F442-E467 HydrophobicContact CD2-CG 4.19Å; F442-E467 HydrophobicContact CE2-CG 4.2Å
468	E	75.6	Confident	84.7	Confident	70 Å²	70	35.9 Å²	35.9	33%	0.327	19%	0.185	S	C	.	.	S	Bend	trans	-101.9	169.3	178.7	-80.7	-166.5	-153.2	0	0	111.2	L213 Q315 Y466 D470 A471	L213-E468 HydrophobicContact CD2-CB 3.69Å; L213-E468 HydrophobicContact CD2-CG 4.07Å; L213-E468 VanDerWaalsContact CD2-OE2 3.24Å; L213-E468 WeakPolarHBondContact CD2-OE2 2.96Å; L213-E468 WeakPolarHBondContact CG-OE2 3.31Å; Q315-E468 PolarHBondContact NE2-O 2.98Å; Y466-E468 PolarHBondContact O-N 2.84Å; E468-D470 PolarHBondContact O-N 3.35Å; E468-D470 VanDerWaalsContact O-N 3.12Å; E468-A471 WeakPolarHBondContact O-CB 3.32Å; E468-A471 PolarHBondContact O-N 3.43Å
469	A	67.6	Low	84.9	Confident	84 Å²	84	35.9 Å²	35.9	69%	0.694	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.9	-173.6	0	0	0	0	0	113.2	L213 Q315	L213-A469 HydrophobicContact CD2-CB 3.84Å; Q315-A469 PolarHBondContact NE2-O 3.35Å; Q315-A469 VanDerWaalsContact NE2-O 3.13Å
470	D	75.7	Confident	85.1	Confident	19 Å²	19	34.4 Å²	34.4	10%	0.102	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	8.5	-177.6	77.7	-27.9	0	0	0	114.3	E468 A472 L473 Q474	E468-D470 PolarHBondContact O-N 3.35Å; E468-D470 VanDerWaalsContact O-N 3.12Å; D470-A472 PolarHBondContact O-N 3.05Å; D470-L473 HydrophobicContact CB-CB 4.45Å; D470-L473 HydrophobicContact CB-CD1 4.28Å; D470-L473 CarbonylContact O-C 3.58Å; D470-L473 VanDerWaalsContact O-CA 3.31Å; D470-L473 WeakPolarHBondContact O-CA 3.29Å; D470-L473 VanDerWaalsContact O-CB 3.29Å; D470-L473 WeakPolarHBondContact O-CB 3.46Å; D470-L473 PolarHBondContact O-N 2.81Å; D470-Q474 PolarHBondContact O-N 2.93Å; D470-Q474 PolarHBondContact OD1-NE2 2.89Å
471	A	84.1	Confident	85.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-52.6	-33	-178.8	0	0	0	0	0	113.9	Q315 F442 V465 Y466 E468 L473 Q474 L475	Q315-A471 HydrophobicContact CB-CB 4.44Å; F442-A471 HydrophobicContact CE2-CB 3.62Å; F442-A471 HydrophobicContact CZ-CB 3.61Å; V465-A471 HydrophobicContact CG1-CB 3.86Å; Y466-A471 WeakPolarHBondContact O-CB 3.49Å; E468-A471 WeakPolarHBondContact O-CB 3.32Å; E468-A471 PolarHBondContact O-N 3.43Å; A471-L473 VanDerWaalsContact C-N 3.29Å; A471-L473 PolarHBondContact O-N 2.89Å; A471-Q474 PolarHBondContact O-N 3.34Å; A471-L475 WeakPolarHBondContact O-CG 3.31Å; A471-L475 PolarHBondContact O-N 3.39Å
472	A	89.3	Confident	85.5	Confident	5 Å²	5	35.1 Å²	35.1	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-65.7	-28.9	173.5	0	0	0	0	0	113.6	Q315 Q318 A319 D470 K476	Q315-A472 HydrophobicContact CB-CB 4.04Å; Q315-A472 HydrophobicContact CG-CB 4.33Å; Q318-A472 HydrophobicContact CB-CB 4.17Å; Q318-A472 HydrophobicContact CG-CB 4.05Å; A319-A472 HydrophobicContact CB-CB 4.41Å; D470-A472 PolarHBondContact O-N 3.05Å; A472-K476 WeakPolarHBondContact O-CB 3.28Å; A472-K476 PolarHBondContact O-N 2.81Å
473	L	87.9	Confident	85.7	Confident	91 Å²	91	34.8 Å²	34.8	48%	0.476	18%	0.183	S	C	.	.	H	α-helix	trans	-80.8	-35.4	172.3	-57.4	177.9	0	0	0	111.4	S215 D470 A471 K476 G477	S215-L473 WeakPolarHBondContact OG-CD1 2.9Å; D470-L473 HydrophobicContact CB-CB 4.45Å; D470-L473 HydrophobicContact CB-CD1 4.28Å; D470-L473 CarbonylContact O-C 3.58Å; D470-L473 VanDerWaalsContact O-CA 3.31Å; D470-L473 WeakPolarHBondContact O-CA 3.29Å; D470-L473 VanDerWaalsContact O-CB 3.29Å; D470-L473 WeakPolarHBondContact O-CB 3.46Å; D470-L473 PolarHBondContact O-N 2.81Å; A471-L473 VanDerWaalsContact C-N 3.29Å; A471-L473 PolarHBondContact O-N 2.89Å; L473-K476 PolarHBondContact O-N 3.13Å; L473-G477 PolarHBondContact O-N 2.9Å
474	Q	86.2	Confident	86.1	Confident	42 Å²	42	33.7 Å²	33.7	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-47.7	172.2	-59.8	178.4	34.2	0	0	111	V465 D470 A471 K476 G477 F478	V465-Q474 HydrophobicContact CG1-CB 4.09Å; V465-Q474 HydrophobicContact CG2-CB 4.22Å; D470-Q474 PolarHBondContact O-N 2.93Å; D470-Q474 PolarHBondContact OD1-NE2 2.89Å; A471-Q474 PolarHBondContact O-N 3.34Å; Q474-K476 PolarHBondContact O-N 2.86Å; Q474-G477 PolarHBondContact O-N 3.5Å; Q474-F478 PolarHBondContact O-N 2.78Å
475	L	89.9	Confident	86.5	Confident	9 Å²	9	31.9 Å²	31.9	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-42.6	173.5	-72.9	168.4	0	0	0	112.5	A319 L409 I440 F442 V465 A471 Y479	A319-L475 HydrophobicContact CB-CB 3.63Å; A319-L475 HydrophobicContact CB-CD1 3.86Å; A319-L475 HydrophobicContact CB-CG 4.41Å; L409-L475 HydrophobicContact CD1-CD2 3.84Å; L409-L475 HydrophobicContact CD2-CD2 4.41Å; I440-L475 HydrophobicContact CD1-CD2 4.04Å; I440-L475 HydrophobicContact CG2-CD2 3.9Å; F442-L475 HydrophobicContact CE1-CD1 4.11Å; V465-L475 HydrophobicContact CG1-CG 4.26Å; V465-L475 HydrophobicContact CG2-CD2 4.04Å; V465-L475 HydrophobicContact CG2-CG 4.34Å; A471-L475 WeakPolarHBondContact O-CG 3.31Å; A471-L475 PolarHBondContact O-N 3.39Å; L475-Y479 PolarHBondContact O-N 2.8Å; L475-Y479 VanDerWaalsContact O-N 3.14Å
476	K	91.2	Very high	86.9	Confident	28 Å²	28	32.2 Å²	32.2	12%	0.122	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-45.3	178.4	-179.3	56	165.5	76.8	0	112.2	T322 I323 D326 A472 L473 Q474 F478 Y479 D480	T322-K476 HydrophobicContact CG2-CD 4.1Å; T322-K476 VanDerWaalsContact CG2-CE 3.42Å; I323-K476 HydrophobicContact CG1-CD 3.78Å; D326-K476 WeakPolarHBondContact OD2-CE 3.41Å; D326-K476 IonicContact OD2-NZ 2.85Å; D326-K476 PolarHBondContact OD2-NZ 3.3Å; A472-K476 WeakPolarHBondContact O-CB 3.28Å; A472-K476 PolarHBondContact O-N 2.81Å; L473-K476 PolarHBondContact O-N 3.13Å; Q474-K476 PolarHBondContact O-N 2.86Å; K476-F478 VanDerWaalsContact C-N 3.31Å; K476-F478 PolarHBondContact O-N 2.7Å; K476-Y479 HydrophobicContact CD-CD1 4.47Å; K476-Y479 PolarHBondContact O-N 3.31Å; K476-Y479 VanDerWaalsContact O-N 3.13Å; K476-D480 IonicContact NZ-OD1 3.46Å; K476-D480 PolarHBondContact NZ-OD1 2.71Å; K476-D480 IonicContact NZ-OD2 2.72Å; K476-D480 PolarHBondContact NZ-OD2 3.09Å; K476-D480 PolarHBondContact O-N 3.34Å
477	G	89.1	Confident	87.4	Confident	23 Å²	23	27.8 Å²	27.8	24%	0.237	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-40	177.6	0	0	0	0	0	112.2	L473 Q474 D480 E481	L473-G477 PolarHBondContact O-N 2.9Å; Q474-G477 PolarHBondContact O-N 3.5Å; G477-D480 PolarHBondContact O-N 3.36Å; G477-E481 PolarHBondContact O-N 2.92Å
478	F	90.7	Very high	87.7	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-47.2	171.1	176.6	-100.4	0	0	0	112.6	I407 F438 I440 R463 Q474 K476 D480 E481 V482	I407-F478 HydrophobicContact CD1-CE1 4.23Å; F438-F478 HydrophobicContact CB-CE1 3.93Å; F438-F478 HydrophobicContact CB-CZ 3.66Å; F438-F478 HydrophobicContact CD1-CE2 4.46Å; F438-F478 AromaticContact CD1-CZ 3.71Å; F438-F478 HydrophobicContact CD1-CZ 3.71Å; F438-F478 HydrophobicContact CD2-CZ 4.32Å; F438-F478 HydrophobicContact CE1-CZ 4.43Å; F438-F478 HydrophobicContact CG-CE1 4.2Å; F438-F478 AromaticContact CG-CZ 3.64Å; F438-F478 HydrophobicContact CG-CZ 3.64Å; I440-F478 HydrophobicContact CD1-CD1 3.6Å; I440-F478 HydrophobicContact CD1-CE1 3.96Å; I440-F478 HydrophobicContact CD1-CG 4.45Å; I440-F478 HydrophobicContact CG1-CD1 4.23Å; I440-F478 HydrophobicContact CG1-CE1 4.27Å; R463-F478 HydrophobicContact CB-CD2 4.41Å; Q474-F478 PolarHBondContact O-N 2.78Å; K476-F478 VanDerWaalsContact C-N 3.31Å; K476-F478 PolarHBondContact O-N 2.7Å; F478-D480 VanDerWaalsContact C-N 3.28Å; F478-D480 PolarHBondContact O-N 2.75Å; F478-E481 PolarHBondContact O-N 3.02Å; F478-V482 HydrophobicContact CE1-CG2 4.29Å; F478-V482 HydrophobicContact CE2-CG1 4.27Å; F478-V482 HydrophobicContact CZ-CG1 4.05Å; F478-V482 HydrophobicContact CZ-CG2 4.44Å
479	Y	94.1	Very high	88.2	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-41.4	175.5	170.5	-99.5	0	0	0	111.7	K296 I298 F300 I323 D326 I407 L475 K476 E481 V482 A483	K296-Y479 WeakPolarHBondContact CE-OH 3.35Å; K296-Y479 PolarHBondContact NZ-OH 2.82Å; I298-Y479 HydrophobicContact CD1-CE2 4.15Å; F300-Y479 HydrophobicContact CE1-CD2 4.38Å; F300-Y479 HydrophobicContact CZ-CE2 4.3Å; I323-Y479 HydrophobicContact CB-CD1 4.3Å; I323-Y479 HydrophobicContact CB-CG 4.36Å; I323-Y479 HydrophobicContact CD1-CG 4.19Å; I323-Y479 HydrophobicContact CG1-CD1 3.89Å; I323-Y479 HydrophobicContact CG1-CG 3.84Å; I323-Y479 HydrophobicContact CG2-CD1 3.93Å; I323-Y479 HydrophobicContact CG2-CD2 3.65Å; I323-Y479 HydrophobicContact CG2-CE1 4.02Å; I323-Y479 HydrophobicContact CG2-CE2 3.77Å; I323-Y479 HydrophobicContact CG2-CG 3.74Å; D326-Y479 HydrophobicContact CB-CE1 4.18Å; D326-Y479 PolarHBondContact O-OH 2.82Å; I407-Y479 HydrophobicContact CD1-CD2 4.24Å; L475-Y479 PolarHBondContact O-N 2.8Å; L475-Y479 VanDerWaalsContact O-N 3.14Å; K476-Y479 HydrophobicContact CD-CD1 4.47Å; K476-Y479 PolarHBondContact O-N 3.31Å; K476-Y479 VanDerWaalsContact O-N 3.13Å; Y479-E481 VanDerWaalsContact C-N 3.28Å; Y479-E481 PolarHBondContact O-N 3.41Å; Y479-V482 CarbonylContact O-C 3.45Å; Y479-V482 WeakPolarHBondContact O-CG2 3.14Å; Y479-V482 PolarHBondContact O-N 3.47Å; Y479-A483 HydrophobicContact CD1-CB 4.11Å; Y479-A483 HydrophobicContact CE1-CB 3.65Å; Y479-A483 HydrophobicContact CE2-CB 4.19Å; Y479-A483 WeakPolarHBondContact O-CA 3.49Å; Y479-A483 VanDerWaalsContact O-CB 3.25Å; Y479-A483 WeakPolarHBondContact O-CB 3.27Å; Y479-A483 PolarHBondContact O-N 3.19Å
480	D	92.9	Very high	89.3	Confident	47 Å²	47	20.3 Å²	20.3	25%	0.251	11%	0.113	S	C	.	.	H	α-helix	trans	-64.7	-30.3	-177.9	-69.8	-26	0	0	0	113.3	L170 K476 G477 F478 V482	L170-D480 HydrophobicContact CD2-CB 4Å; L170-D480 WeakPolarHBondContact CD2-O 3.42Å; K476-D480 IonicContact NZ-OD1 3.46Å; K476-D480 PolarHBondContact NZ-OD1 2.71Å; K476-D480 IonicContact NZ-OD2 2.72Å; K476-D480 PolarHBondContact NZ-OD2 3.09Å; K476-D480 PolarHBondContact O-N 3.34Å; G477-D480 PolarHBondContact O-N 3.36Å; F478-D480 VanDerWaalsContact C-N 3.28Å; F478-D480 PolarHBondContact O-N 2.75Å; D480-V482 VanDerWaalsContact C-N 3.3Å; D480-V482 PolarHBondContact O-N 2.86Å
481	E	90.7	Very high	90.2	Very high	20 Å²	20	21.6 Å²	21.6	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-66.4	-29.9	172.5	-69.2	173.7	-124.3	0	0	112.8	R169 L170 R463 G477 F478 Y479 F511	R169-E481 WeakPolarHBondContact CD-OE2 3.28Å; R169-E481 IonicContact CZ-OE2 3.79Å; R169-E481 IonicContact NE-OE2 2.79Å; R169-E481 IonicContact NH1-OE2 3.58Å; R169-E481 PolarHBondContact NH1-OE2 3.02Å; L170-E481 HydrophobicContact CD2-CG 4.06Å; L170-E481 HydrophobicContact CG-CG 4.2Å; R463-E481 IonicContact CZ-OE1 3.78Å; R463-E481 VanDerWaalsContact CZ-OE1 3.25Å; R463-E481 IonicContact CZ-OE2 2.61Å; R463-E481 IonicContact NH1-OE1 3.53Å; R463-E481 PolarHBondContact NH1-OE1 2.74Å; R463-E481 IonicContact NH2-OE1 3.14Å; R463-E481 PolarHBondContact NH2-OE1 2.81Å; R463-E481 IonicContact NH2-OE2 2.78Å; R463-E481 PolarHBondContact NH2-OE2 2.88Å; G477-E481 PolarHBondContact O-N 2.92Å; F478-E481 PolarHBondContact O-N 3.02Å; Y479-E481 VanDerWaalsContact C-N 3.28Å; Y479-E481 PolarHBondContact O-N 3.41Å; E481-F511 VanDerWaalsContact O-CB 3.31Å; E481-F511 WeakPolarHBondContact O-CB 3.08Å; E481-F511 WeakPolarHBondContact O-CD2 3.25Å; E481-F511 WeakPolarHBondContact O-CG 3.14Å
482	V	91.3	Very high	90.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-110.6	1.5	-176.4	-52.9	0	0	0	0	114	I407 F438 F478 Y479 D480 N484 F511	I407-V482 HydrophobicContact CD1-CG2 4.25Å; F438-V482 HydrophobicContact CD2-CG2 4.46Å; F438-V482 HydrophobicContact CE1-CG1 4.01Å; F438-V482 HydrophobicContact CE2-CB 3.94Å; F438-V482 HydrophobicContact CE2-CG1 3.89Å; F438-V482 HydrophobicContact CE2-CG2 4.2Å; F438-V482 HydrophobicContact CZ-CB 4.1Å; F438-V482 HydrophobicContact CZ-CG1 3.62Å; F478-V482 HydrophobicContact CE1-CG2 4.29Å; F478-V482 HydrophobicContact CE2-CG1 4.27Å; F478-V482 HydrophobicContact CZ-CG1 4.05Å; F478-V482 HydrophobicContact CZ-CG2 4.44Å; Y479-V482 CarbonylContact O-C 3.45Å; Y479-V482 WeakPolarHBondContact O-CG2 3.14Å; Y479-V482 PolarHBondContact O-N 3.47Å; D480-V482 VanDerWaalsContact C-N 3.3Å; D480-V482 PolarHBondContact O-N 2.86Å; V482-N484 VanDerWaalsContact C-N 3.33Å; V482-N484 PolarHBondContact O-N 2.85Å; V482-F511 HydrophobicContact CB-CD2 4.27Å; V482-F511 HydrophobicContact CB-CE1 4.14Å; V482-F511 HydrophobicContact CB-CE2 3.76Å; V482-F511 HydrophobicContact CB-CZ 3.71Å; V482-F511 HydrophobicContact CG1-CD2 4.14Å; V482-F511 HydrophobicContact CG1-CE2 3.63Å; V482-F511 HydrophobicContact CG1-CZ 4.07Å; V482-F511 WeakPolarHBondContact O-CE1 3.22Å
483	A	92.1	Very high	90.8	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.033	13%	0.129	C	C	.	.	S	Bend	trans	-71.5	-23.1	-170.5	0	0	0	0	0	114.4	K296 Y479	K296-A483 WeakPolarHBondContact CE-O 3.36Å; K296-A483 PolarHBondContact NZ-O 3.44Å; Y479-A483 HydrophobicContact CD1-CB 4.11Å; Y479-A483 HydrophobicContact CE1-CB 3.65Å; Y479-A483 HydrophobicContact CE2-CB 4.19Å; Y479-A483 WeakPolarHBondContact O-CA 3.49Å; Y479-A483 VanDerWaalsContact O-CB 3.25Å; Y479-A483 WeakPolarHBondContact O-CB 3.27Å; Y479-A483 PolarHBondContact O-N 3.19Å
484	N	92.6	Very high	91.1	Very high	37 Å²	37	19.5 Å²	19.5	20%	0.198	11%	0.109	C	C	.	.			trans	-133.2	77.4	-166.1	-58.5	-70.2	0	0	0	111.5	V293 R328 V482 F511 Q512	V293-N484 HydrophobicContact CG1-CB 4.12Å; V293-N484 HydrophobicContact CG2-CB 4.24Å; R328-N484 VanDerWaalsContact CZ-OD1 3.24Å; R328-N484 PolarHBondContact NE-OD1 2.81Å; R328-N484 PolarHBondContact NH2-OD1 3.25Å; V482-N484 VanDerWaalsContact C-N 3.33Å; V482-N484 PolarHBondContact O-N 2.85Å; N484-F511 WeakPolarHBondContact O-CA 3.4Å; N484-Q512 HydrophobicContact CB-CB 3.79Å; N484-Q512 PolarHBondContact O-N 3.44Å
485	P	92.6	Very high	91.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	139.6	174.7	24.6	-29.4	0	0	0	111.3	V293 V294 K296 V403 F511	V293-P485 CarbonylContact C-O 3.45Å; V293-P485 WeakPolarHBondContact CA-O 3.44Å; V294-P485 HydrophobicContact CB-CG 4.49Å; V294-P485 PolarHBondContact N-O 3.36Å; K296-P485 HydrophobicContact CB-CG 4.43Å; V403-P485 HydrophobicContact CB-CB 4.29Å; V403-P485 HydrophobicContact CB-CG 4.03Å; V403-P485 HydrophobicContact CG2-CB 3.76Å; V403-P485 HydrophobicContact CG2-CG 3.91Å; P485-F511 HydrophobicContact CB-CD1 3.86Å; P485-F511 HydrophobicContact CB-CE1 3.85Å; P485-F511 HydrophobicContact CG-CE1 4.37Å
486	L	91.1	Very high	91.1	Very high	7 Å²	7	26.9 Å²	26.9	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-33.6	179.4	-62.5	-177.2	0	0	0	112.1	L291 V293 V294 Y510 Q512	L291-L486 HydrophobicContact CB-CB 4.21Å; L291-L486 HydrophobicContact CB-CD1 4.42Å; L291-L486 HydrophobicContact CB-CD2 4.4Å; L291-L486 HydrophobicContact CD1-CB 4.27Å; V293-L486 HydrophobicContact CB-CD2 4.38Å; V293-L486 HydrophobicContact CG2-CD2 3.66Å; V294-L486 WeakPolarHBondContact CG2-O 3.24Å; L486-Y510 HydrophobicContact CB-CD1 3.89Å; L486-Y510 HydrophobicContact CB-CE1 4.24Å; L486-Y510 HydrophobicContact CD1-CD1 4.16Å; L486-Y510 HydrophobicContact CD1-CE1 3.67Å; L486-Y510 HydrophobicContact CG-CE1 4.49Å; L486-Y510 PolarHBondContact N-O 3.1Å; L486-Q512 HydrophobicContact CD1-CB 3.98Å; L486-Q512 HydrophobicContact CD1-CG 4.32Å; L486-Q512 HydrophobicContact CD2-CB 4.24Å; L486-Q512 HydrophobicContact CG-CB 4.1Å
487	L	90.1	Very high	91	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153	176.3	-59.3	169	0	0	0	110.2	F286 P288 L291 V490 N509 Y510 A535 T536 D537 I542	F286-L487 HydrophobicContact CE1-CD1 4.09Å; F286-L487 HydrophobicContact CZ-CD1 3.97Å; P288-L487 HydrophobicContact CG-CD1 4.43Å; L291-L487 HydrophobicContact CD1-CD1 3.84Å; L291-L487 HydrophobicContact CD1-CD2 4.02Å; L291-L487 HydrophobicContact CD1-CG 3.79Å; L487-V490 HydrophobicContact CB-CG2 3.61Å; L487-V490 HydrophobicContact CD1-CG2 4.09Å; L487-N509 WeakPolarHBondContact O-CA 3.43Å; L487-Y510 HydrophobicContact CD1-CD1 4.28Å; L487-Y510 HydrophobicContact CG-CD1 4.49Å; L487-Y510 PolarHBondContact N-O 3.32Å; L487-Y510 PolarHBondContact O-N 3.07Å; L487-A535 HydrophobicContact CB-CB 4.24Å; L487-A535 HydrophobicContact CD1-CB 3.95Å; L487-A535 HydrophobicContact CD2-CB 4.1Å; L487-A535 HydrophobicContact CG-CB 4.33Å; L487-T536 CarbonylContact C-O 3.54Å; L487-T536 VanDerWaalsContact CA-O 3.29Å; L487-T536 WeakPolarHBondContact CA-O 3.26Å; L487-D537 HydrophobicContact CD2-CB 3.98Å; L487-I542 HydrophobicContact CD2-CD1 3.98Å
488	S	88.2	Confident	91.1	Very high	23 Å²	23	31.2 Å²	31.2	16%	0.161	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	159.7	164	84.9	0	0	0	0	112.3	V490 P508 T536	S488-V490 VanDerWaalsContact C-N 3.31Å; S488-V490 PolarHBondContact O-N 3.48Å; S488-P508 CarbonylContact C-O 3.45Å; S488-P508 VanDerWaalsContact CA-O 3.26Å; S488-P508 WeakPolarHBondContact CA-O 3.27Å; S488-P508 WeakPolarHBondContact CB-O 3.48Å; S488-T536 PolarHBondContact N-O 3.34Å; S488-T536 PolarHBondContact O-N 2.87Å
489	D	85.6	Confident	91.3	Very high	63 Å²	63	31.3 Å²	31.3	34%	0.337	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.9	50.2	175.5	-51.4	-85.1	0	0	0	112.2	R459 Q491 P508	R459-D489 IonicContact CZ-OD1 2.77Å; R459-D489 IonicContact NH1-OD1 3.43Å; R459-D489 PolarHBondContact NH1-OD1 2.9Å; R459-D489 IonicContact NH2-OD1 2.65Å; D489-Q491 PolarHBondContact O-N 2.93Å; D489-P508 PolarHBondContact N-O 2.57Å
490	V	90.8	Very high	91.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	118	-178.9	-175.6	0	0	0	0	109.2	F286 L487 S488 L492 L506 F507 L516 V533 A535	F286-V490 HydrophobicContact CD1-CG1 4.48Å; F286-V490 HydrophobicContact CE1-CG1 3.92Å; F286-V490 HydrophobicContact CZ-CG1 4.28Å; L487-V490 HydrophobicContact CB-CG2 3.61Å; L487-V490 HydrophobicContact CD1-CG2 4.09Å; S488-V490 VanDerWaalsContact C-N 3.31Å; S488-V490 PolarHBondContact O-N 3.48Å; V490-L492 HydrophobicContact CG1-CD2 4.01Å; V490-L492 HydrophobicContact CG1-CG 4.42Å; V490-L506 CarbonylContact O-C 3.51Å; V490-L506 WeakPolarHBondContact O-CA 3.43Å; V490-F507 HydrophobicContact CB-CB 4.32Å; V490-F507 PolarHBondContact N-O 2.81Å; V490-F507 PolarHBondContact O-N 3.28Å; V490-L516 HydrophobicContact CB-CD1 4.24Å; V490-L516 HydrophobicContact CG1-CD1 3.98Å; V490-V533 HydrophobicContact CG1-CG1 4.4Å; V490-A535 HydrophobicContact CB-CB 4.31Å; V490-A535 HydrophobicContact CG1-CB 4.32Å; V490-A535 HydrophobicContact CG2-CB 3.89Å
491	Q	93.4	Very high	91.1	Very high	46 Å²	46	34.4 Å²	34.4	22%	0.215	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120	178.2	172	60.8	39	0	0	109.4	D489 S493 T505 L506 V533 S534	D489-Q491 PolarHBondContact O-N 2.93Å; Q491-S493 WeakPolarHBondContact CG-OG 3.18Å; Q491-S493 PolarHBondContact NE2-OG 3.42Å; Q491-T505 WeakPolarHBondContact CA-O 3.16Å; Q491-T505 PolarHBondContact NE2-OG1 3.39Å; Q491-L506 HydrophobicContact CB-CD1 4.16Å; Q491-V533 WeakPolarHBondContact O-CA 3.19Å; Q491-S534 PolarHBondContact N-O 2.93Å; Q491-S534 PolarHBondContact O-N 2.9Å
492	L	93.1	Very high	91.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	97.9	178.9	-55.5	-178.8	0	0	0	109.1	F286 V490 Y494 T505 F507 V518 V533	F286-L492 HydrophobicContact CB-CD1 4.07Å; F286-L492 HydrophobicContact CB-CD2 4.48Å; F286-L492 HydrophobicContact CD2-CD2 4.06Å; F286-L492 HydrophobicContact CE2-CD2 4.43Å; F286-L492 HydrophobicContact CG-CD1 4.45Å; F286-L492 HydrophobicContact CG-CD2 4.11Å; V490-L492 HydrophobicContact CG1-CD2 4.01Å; V490-L492 HydrophobicContact CG1-CG 4.42Å; L492-Y494 HydrophobicContact CB-CE2 4.47Å; L492-Y494 WeakPolarHBondContact O-CE2 3.38Å; L492-T505 PolarHBondContact N-O 3.48Å; L492-T505 WeakPolarHBondContact O-CB 3.4Å; L492-T505 WeakPolarHBondContact O-CG2 3.41Å; L492-F507 HydrophobicContact CD1-CD2 4.34Å; L492-F507 HydrophobicContact CD1-CE2 3.77Å; L492-F507 HydrophobicContact CD1-CZ 4.48Å; L492-F507 HydrophobicContact CG-CD2 4.49Å; L492-F507 HydrophobicContact CG-CE2 4.24Å; L492-V518 HydrophobicContact CB-CG2 4.18Å; L492-V518 HydrophobicContact CD1-CG2 3.57Å; L492-V518 HydrophobicContact CG-CG2 4.45Å; L492-V533 HydrophobicContact CD2-CB 4.1Å; L492-V533 HydrophobicContact CD2-CG1 3.67Å; L492-V533 HydrophobicContact CD2-CG2 3.45Å; L492-V533 VanDerWaalsContact CD2-CG2 3.45Å
493	S	93.6	Very high	91.1	Very high	37 Å²	37	35.1 Å²	35.1	26%	0.259	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.4	-170.9	-73.5	0	0	0	0	113.3	Q491 S532	Q491-S493 WeakPolarHBondContact CG-OG 3.18Å; Q491-S493 PolarHBondContact NE2-OG 3.42Å; S493-S532 WeakPolarHBondContact CB-OG 3.37Å; S493-S532 PolarHBondContact N-O 3.05Å; S493-S532 PolarHBondContact O-N 2.77Å; S493-S532 PolarHBondContact O-OG 2.86Å
494	Y	93.1	Very high	90.8	Very high	15 Å²	15	36.4 Å²	36.4	6%	0.059	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.8	179.8	-46.6	-93.3	0	0	0	107.5	F282 H284 L492 I502 T505 V518 L529 V531	F282-Y494 HydrophobicContact CD2-CE1 4.31Å; F282-Y494 AromaticContact CE2-CD1 3.96Å; F282-Y494 HydrophobicContact CE2-CD1 3.96Å; F282-Y494 AromaticContact CE2-CE1 3.48Å; F282-Y494 HydrophobicContact CE2-CE1 3.48Å; F282-Y494 VanDerWaalsContact CE2-CE1 3.48Å; F282-Y494 HydrophobicContact CE2-CE2 4.25Å; F282-Y494 AromaticContact CE2-CZ 3.66Å; F282-Y494 AromaticContact CZ-CD1 3.86Å; F282-Y494 HydrophobicContact CZ-CD1 3.86Å; F282-Y494 HydrophobicContact CZ-CD2 4.22Å; F282-Y494 AromaticContact CZ-CE1 3.84Å; F282-Y494 HydrophobicContact CZ-CE1 3.84Å; F282-Y494 HydrophobicContact CZ-CE2 4.23Å; F282-Y494 HydrophobicContact CZ-CG 4.07Å; H284-Y494 AromaticContact ND1-CZ 3.83Å; H284-Y494 PolarHBondContact ND1-OH 2.75Å; L492-Y494 HydrophobicContact CB-CE2 4.47Å; L492-Y494 WeakPolarHBondContact O-CE2 3.38Å; Y494-I502 HydrophobicContact CD2-CD1 3.77Å; Y494-I502 HydrophobicContact CD2-CG2 4.15Å; Y494-I502 HydrophobicContact CE2-CG2 4.12Å; Y494-I502 HydrophobicContact CG-CD1 4.06Å; Y494-T505 HydrophobicContact CD2-CG2 4.38Å; Y494-T505 HydrophobicContact CE2-CG2 4.07Å; Y494-V518 HydrophobicContact CE2-CG1 3.8Å; Y494-V518 WeakPolarHBondContact OH-CB 3.1Å; Y494-L529 HydrophobicContact CD1-CD2 4.47Å; Y494-V531 HydrophobicContact CD1-CG1 4.48Å; Y494-V531 HydrophobicContact CD1-CG2 3.98Å; Y494-V531 HydrophobicContact CE1-CG1 4Å; Y494-V531 HydrophobicContact CE1-CG2 3.9Å
495	M	90.3	Very high	90.7	Very high	60 Å²	60	36.3 Å²	36.3	30%	0.296	19%	0.191	S	C	.	.			trans	-79.4	130.5	-177.1	-52.7	-71.9	87.9	0	0	111.6	D497 Q498 A499 K530	M495-D497 WeakPolarHBondContact CB-OD1 3.44Å; M495-D497 PolarHBondContact O-N 3.04Å; M495-D497 VanDerWaalsContact O-N 3.17Å; M495-Q498 HydrophobicContact CB-CB 4.4Å; M495-Q498 HydrophobicContact CB-CG 4.28Å; M495-Q498 PolarHBondContact O-N 2.77Å; M495-A499 PolarHBondContact O-N 3.32Å; M495-K530 HydrophobicContact CG-CB 3.95Å; M495-K530 HydrophobicContact CG-CD 4.12Å; M495-K530 HydrophobicContact CG-CG 4.47Å; M495-K530 HydrophobicContact SD-CD 4.09Å
496	D	86.3	Confident	90.6	Very high	145 Å²	145	40.3 Å²	40.3	78%	0.775	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.1	-178.5	-73.8	-44.8	0	0	0	113.7	K523	D496-K523 WeakPolarHBondContact O-CE 3.32Å; D496-K523 PolarHBondContact O-NZ 3.5Å
497	D	89.6	Confident	90.5	Very high	108 Å²	108	40 Å²	40	58%	0.578	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-29	172.3	71.9	-45.3	0	0	0	111.9	M495 K523	M495-D497 WeakPolarHBondContact CB-OD1 3.44Å; M495-D497 PolarHBondContact O-N 3.04Å; M495-D497 VanDerWaalsContact O-N 3.17Å; D497-K523 VanDerWaalsContact C-NZ 3.34Å; D497-K523 WeakPolarHBondContact O-CD 3.48Å; D497-K523 WeakPolarHBondContact O-CE 3.35Å; D497-K523 PolarHBondContact O-NZ 2.74Å
498	Q	91.7	Very high	90.3	Very high	35 Å²	35	40.2 Å²	40.2	16%	0.164	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-35.3	-175.7	-64.8	175.5	8.2	0	0	114.5	M495 K523 V526 D528 L529	M495-Q498 HydrophobicContact CB-CB 4.4Å; M495-Q498 HydrophobicContact CB-CG 4.28Å; M495-Q498 PolarHBondContact O-N 2.77Å; Q498-K523 PolarHBondContact O-N 3.47Å; Q498-V526 HydrophobicContact CB-CG1 4.19Å; Q498-V526 HydrophobicContact CB-CG2 4.01Å; Q498-V526 HydrophobicContact CG-CG1 4.11Å; Q498-V526 HydrophobicContact CG-CG2 4.16Å; Q498-D528 PolarHBondContact OE1-O 2.98Å; Q498-L529 HydrophobicContact CB-CD1 4.25Å
499	A	93.6	Very high	90.3	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	160	-171.4	0	0	0	0	0	113.1	F282 M495 I502 R521 L529	F282-A499 HydrophobicContact CE1-CB 4.08Å; M495-A499 PolarHBondContact O-N 3.32Å; A499-I502 HydrophobicContact CB-CD1 3.68Å; A499-I502 HydrophobicContact CB-CG1 4.32Å; A499-R521 CarbonylContact C-O 3.5Å; A499-R521 VanDerWaalsContact CA-O 3.27Å; A499-R521 WeakPolarHBondContact CA-O 3.43Å; A499-L529 HydrophobicContact CB-CD1 4.25Å
500	F	93.4	Very high	90.6	Very high	67 Å²	67	36.4 Å²	36.4	29%	0.294	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	174.2	178.1	71.6	-70.4	0	0	0	111.7	I502 R521 K523	F500-I502 PolarHBondContact O-N 3.39Å; F500-I502 VanDerWaalsContact O-N 3.11Å; F500-R521 HydrophobicContact CD1-CB 3.81Å; F500-R521 WeakPolarHBondContact CD1-O 3.36Å; F500-R521 HydrophobicContact CD2-CB 4.38Å; F500-R521 HydrophobicContact CE1-CB 3.53Å; F500-R521 HydrophobicContact CE2-CB 4.16Å; F500-R521 VanDerWaalsContact CE2-NH1 3.34Å; F500-R521 HydrophobicContact CG-CB 4.24Å; F500-R521 HydrophobicContact CZ-CB 3.73Å; F500-R521 PolarHBondContact N-O 2.94Å; F500-R521 WeakPolarHBondContact O-CB 3.44Å; F500-R521 PolarHBondContact O-N 3.49Å; F500-K523 HydrophobicContact CD1-CG 3.63Å; F500-K523 HydrophobicContact CE1-CG 3.95Å
501	D	90.3	Very high	90.7	Very high	48 Å²	48	36.4 Å²	36.4	26%	0.257	19%	0.19	S	C	.	.	S	Bend	trans	45.7	38.5	-174.7	-61.6	-17.4	0	0	0	113.4	R521 W579	D501-R521 HydrophobicContact CB-CB 4.48Å; D501-R521 HydrophobicContact CB-CG 4.02Å; D501-R521 WeakPolarHBondContact OD2-CD 3.36Å; D501-R521 IonicContact OD2-CZ 3.44Å; D501-R521 IonicContact OD2-NE 3.94Å; D501-R521 IonicContact OD2-NH1 3.85Å; D501-R521 PolarHBondContact OD2-NH1 3.01Å; D501-W579 HydrophobicContact CB-CZ2 3.88Å; D501-W579 PolarHBondContact O-NE1 2.64Å
502	I	91.3	Very high	90.6	Very high	31 Å²	31	39 Å²	39	16%	0.159	20%	0.202	C	C	.	.			trans	-80.5	136.7	-174.8	-42.7	178.6	0	0	0	109.6	F282 Y494 A499 F500 T505 V518 A519 F860	F282-I502 HydrophobicContact CE1-CG1 4.36Å; F282-I502 HydrophobicContact CZ-CD1 4.26Å; F282-I502 HydrophobicContact CZ-CG1 4.22Å; F282-I502 HydrophobicContact CZ-CG2 3.85Å; Y494-I502 HydrophobicContact CD2-CD1 3.77Å; Y494-I502 HydrophobicContact CD2-CG2 4.15Å; Y494-I502 HydrophobicContact CE2-CG2 4.12Å; Y494-I502 HydrophobicContact CG-CD1 4.06Å; A499-I502 HydrophobicContact CB-CD1 3.68Å; A499-I502 HydrophobicContact CB-CG1 4.32Å; F500-I502 PolarHBondContact O-N 3.39Å; F500-I502 VanDerWaalsContact O-N 3.11Å; I502-T505 HydrophobicContact CG2-CG2 4.02Å; I502-V518 HydrophobicContact CG2-CG1 3.5Å; I502-A519 WeakPolarHBondContact CA-O 3.19Å; I502-F860 WeakPolarHBondContact O-CD1 3.34Å; I502-F860 WeakPolarHBondContact O-CE1 3.2Å
503	T	91.1	Very high	90.4	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.025	21%	0.209	C	C	.	.			trans	-59.4	172	169.3	57.6	0	0	0	0	111.9	T505 V518 A519 F582 E586	T503-T505 WeakPolarHBondContact O-CG2 3.31Å; T503-T505 PolarHBondContact O-N 3.07Å; T503-V518 WeakPolarHBondContact OG1-CA 3.4Å; T503-V518 VanDerWaalsContact OG1-CG1 3.28Å; T503-V518 WeakPolarHBondContact OG1-CG1 2.95Å; T503-A519 HydrophobicContact CG2-CB 4.16Å; T503-A519 WeakPolarHBondContact CG2-O 3.24Å; T503-A519 PolarHBondContact N-O 3.39Å; T503-A519 PolarHBondContact OG1-N 3.15Å; T503-A519 PolarHBondContact OG1-O 3.29Å; T503-A519 VanDerWaalsContact OG1-O 3.09Å; T503-F582 HydrophobicContact CG2-CB 3.55Å; T503-F582 HydrophobicContact CG2-CG 4.39Å; T503-E586 WeakPolarHBondContact CB-OE1 3.31Å; T503-E586 WeakPolarHBondContact CG2-OE1 3.39Å
504	H	85.9	Confident	90.4	Very high	31 Å²	31	38.1 Å²	38.1	14%	0.144	20%	0.198	C	C	.	.			trans	-38.6	131.7	169.1	67.4	-73.5	0	0	0	113.6	F507 E586 P870	H504-F507 AromaticContact CD2-CE1 3.33Å; H504-F507 WeakPolarHBondContact CD2-CE1 3.28Å; H504-F507 AromaticContact CD2-CZ 3.28Å; H504-F507 WeakPolarHBondContact CD2-CZ 3.48Å; H504-F507 AromaticContact NE2-CE1 3.11Å; H504-F507 WeakPolarHBondContact NE2-CE1 3.48Å; H504-F507 AromaticContact NE2-CZ 3.23Å; H504-F507 WeakPolarHBondContact NE2-CZ 3.29Å; H504-E586 IonicContact CE1-OE1 2.66Å; H504-E586 IonicContact CG-OE1 3.74Å; H504-E586 PolarHBondContact N-OE1 2.7Å; H504-E586 PolarHBondContact N-OE2 2.65Å; H504-E586 IonicContact ND1-OE1 2.74Å; H504-E586 PolarHBondContact ND1-OE1 2.92Å; H504-E586 IonicContact ND1-OE2 2.93Å; H504-P870 WeakPolarHBondContact CD2-CG 3.46Å; H504-P870 WeakPolarHBondContact NE2-CG 3.34Å
505	T	90.7	Very high	90.3	Very high	34 Å²	34	37.6 Å²	37.6	21%	0.209	20%	0.196	C	C	.	.			trans	-116.2	-16	-176.5	50.9	0	0	0	0	114	Q491 L492 Y494 I502 T503 F507 V518	Q491-T505 WeakPolarHBondContact CA-O 3.16Å; Q491-T505 PolarHBondContact NE2-OG1 3.39Å; L492-T505 PolarHBondContact N-O 3.48Å; L492-T505 WeakPolarHBondContact O-CB 3.4Å; L492-T505 WeakPolarHBondContact O-CG2 3.41Å; Y494-T505 HydrophobicContact CD2-CG2 4.38Å; Y494-T505 HydrophobicContact CE2-CG2 4.07Å; I502-T505 HydrophobicContact CG2-CG2 4.02Å; T503-T505 WeakPolarHBondContact O-CG2 3.31Å; T503-T505 PolarHBondContact O-N 3.07Å; T505-F507 WeakPolarHBondContact O-CD2 3.33Å; T505-V518 HydrophobicContact CG2-CG1 4.32Å
506	L	88.9	Confident	90.4	Very high	85 Å²	85	34.8 Å²	34.8	45%	0.445	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.1	-179.9	-176.2	63.5	0	0	0	110.8	V490 Q491	V490-L506 CarbonylContact O-C 3.51Å; V490-L506 WeakPolarHBondContact O-CA 3.43Å; Q491-L506 HydrophobicContact CB-CD1 4.16Å
507	F	88.9	Confident	90.7	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.5	-178.6	-59.3	-102.1	0	0	0	109.4	V490 L492 H504 T505 N509 L516 V518 P870 T875	V490-F507 HydrophobicContact CB-CB 4.32Å; V490-F507 PolarHBondContact N-O 2.81Å; V490-F507 PolarHBondContact O-N 3.28Å; L492-F507 HydrophobicContact CD1-CD2 4.34Å; L492-F507 HydrophobicContact CD1-CE2 3.77Å; L492-F507 HydrophobicContact CD1-CZ 4.48Å; L492-F507 HydrophobicContact CG-CD2 4.49Å; L492-F507 HydrophobicContact CG-CE2 4.24Å; H504-F507 AromaticContact CD2-CE1 3.33Å; H504-F507 WeakPolarHBondContact CD2-CE1 3.28Å; H504-F507 AromaticContact CD2-CZ 3.28Å; H504-F507 WeakPolarHBondContact CD2-CZ 3.48Å; H504-F507 AromaticContact NE2-CE1 3.11Å; H504-F507 WeakPolarHBondContact NE2-CE1 3.48Å; H504-F507 AromaticContact NE2-CZ 3.23Å; H504-F507 WeakPolarHBondContact NE2-CZ 3.29Å; T505-F507 WeakPolarHBondContact O-CD2 3.33Å; F507-N509 PolarHBondContact O-N 3.08Å; F507-L516 HydrophobicContact CB-CD1 3.82Å; F507-L516 HydrophobicContact CB-CD2 4.38Å; F507-L516 HydrophobicContact CD1-CB 4.22Å; F507-L516 HydrophobicContact CD1-CD1 4Å; F507-L516 HydrophobicContact CD1-CD2 3.64Å; F507-L516 HydrophobicContact CD1-CG 4.17Å; F507-L516 HydrophobicContact CD2-CD1 3.91Å; F507-L516 HydrophobicContact CE1-CB 3.92Å; F507-L516 HydrophobicContact CE1-CD1 4.49Å; F507-L516 HydrophobicContact CE1-CD2 4.06Å; F507-L516 HydrophobicContact CE1-CG 4.38Å; F507-L516 HydrophobicContact CE2-CB 4.44Å; F507-L516 HydrophobicContact CE2-CD1 4.46Å; F507-L516 HydrophobicContact CG-CD1 3.66Å; F507-L516 HydrophobicContact CG-CD2 4.13Å; F507-L516 HydrophobicContact CG-CG 4.33Å; F507-L516 HydrophobicContact CZ-CB 4.05Å; F507-V518 HydrophobicContact CE2-CG2 3.89Å; F507-V518 HydrophobicContact CZ-CG2 3.95Å; F507-P870 HydrophobicContact CD1-CG 4.17Å; F507-P870 HydrophobicContact CE1-CG 4.04Å; F507-T875 HydrophobicContact CE1-CG2 4.14Å
508	P	87.4	Confident	90.9	Very high	8 Å²	8	22.8 Å²	22.8	5%	0.052	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	-32	-175.7	-28.8	36.5	0	0	0	114.5	R459 S488 D489 A869	R459-P508 HydrophobicContact CB-CB 4.06Å; R459-P508 HydrophobicContact CB-CG 3.8Å; R459-P508 HydrophobicContact CG-CB 4.32Å; R459-P508 HydrophobicContact CG-CG 3.9Å; S488-P508 CarbonylContact C-O 3.45Å; S488-P508 VanDerWaalsContact CA-O 3.26Å; S488-P508 WeakPolarHBondContact CA-O 3.27Å; S488-P508 WeakPolarHBondContact CB-O 3.48Å; D489-P508 PolarHBondContact N-O 2.57Å; P508-A869 HydrophobicContact CG-CB 3.67Å
509	N	88.3	Confident	90.9	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.2	176.7	-41.1	-85.9	0	0	0	111.8	V403 T436 L487 F507 F511 P872 G873	V403-N509 WeakPolarHBondContact CG1-OD1 3.17Å; T436-N509 PolarHBondContact OG1-ND2 3.45Å; L487-N509 WeakPolarHBondContact O-CA 3.43Å; F507-N509 PolarHBondContact O-N 3.08Å; N509-F511 HydrophobicContact CB-CE1 4.47Å; N509-F511 HydrophobicContact CB-CZ 4.26Å; N509-P872 HydrophobicContact CB-CB 3.75Å; N509-P872 CarbonylContact O-C 3.5Å; N509-P872 WeakPolarHBondContact O-CA 3.36Å; N509-P872 WeakPolarHBondContact O-CB 3.33Å; N509-G873 PolarHBondContact O-N 3.24Å
510	Y	91.3	Very high	90.9	Very high	2 Å²	2	21 Å²	21	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.4	165.2	171.6	-115.8	0	0	0	109.4	A287 P288 L486 L487 S514 L516	A287-Y510 VanDerWaalsContact C-OH 3.27Å; A287-Y510 WeakPolarHBondContact CA-OH 3.5Å; P288-Y510 HydrophobicContact CG-CD1 4.24Å; P288-Y510 HydrophobicContact CG-CE1 3.74Å; P288-Y510 PolarHBondContact O-OH 3.33Å; L486-Y510 HydrophobicContact CB-CD1 3.89Å; L486-Y510 HydrophobicContact CB-CE1 4.24Å; L486-Y510 HydrophobicContact CD1-CD1 4.16Å; L486-Y510 HydrophobicContact CD1-CE1 3.67Å; L486-Y510 HydrophobicContact CG-CE1 4.49Å; L486-Y510 PolarHBondContact N-O 3.1Å; L487-Y510 HydrophobicContact CD1-CD1 4.28Å; L487-Y510 HydrophobicContact CG-CD1 4.49Å; L487-Y510 PolarHBondContact N-O 3.32Å; L487-Y510 PolarHBondContact O-N 3.07Å; Y510-S514 WeakPolarHBondContact CD2-OG 3.22Å; Y510-S514 VanDerWaalsContact CE2-OG 3.23Å; Y510-S514 WeakPolarHBondContact CE2-OG 3.42Å; Y510-S514 PolarHBondContact OH-O 3.08Å; Y510-L516 HydrophobicContact CD2-CD1 4.43Å; Y510-L516 HydrophobicContact CD2-CD2 4.13Å; Y510-L516 HydrophobicContact CD2-CG 3.94Å
511	F	91.8	Very high	90.9	Very high	1 Å²	1	21 Å²	21	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	156.2	-179.1	-63	-63.3	0	0	0	112.7	F438 E481 V482 N484 P485 N509 G513 S514 P872	F438-F511 HydrophobicContact CE2-CZ 4.27Å; F438-F511 AromaticContact CZ-CE2 3.9Å; F438-F511 HydrophobicContact CZ-CE2 3.9Å; F438-F511 AromaticContact CZ-CZ 3.89Å; F438-F511 HydrophobicContact CZ-CZ 3.89Å; E481-F511 VanDerWaalsContact O-CB 3.31Å; E481-F511 WeakPolarHBondContact O-CB 3.08Å; E481-F511 WeakPolarHBondContact O-CD2 3.25Å; E481-F511 WeakPolarHBondContact O-CG 3.14Å; V482-F511 HydrophobicContact CB-CD2 4.27Å; V482-F511 HydrophobicContact CB-CE1 4.14Å; V482-F511 HydrophobicContact CB-CE2 3.76Å; V482-F511 HydrophobicContact CB-CZ 3.71Å; V482-F511 HydrophobicContact CG1-CD2 4.14Å; V482-F511 HydrophobicContact CG1-CE2 3.63Å; V482-F511 HydrophobicContact CG1-CZ 4.07Å; V482-F511 WeakPolarHBondContact O-CE1 3.22Å; N484-F511 WeakPolarHBondContact O-CA 3.4Å; P485-F511 HydrophobicContact CB-CD1 3.86Å; P485-F511 HydrophobicContact CB-CE1 3.85Å; P485-F511 HydrophobicContact CG-CE1 4.37Å; N509-F511 HydrophobicContact CB-CE1 4.47Å; N509-F511 HydrophobicContact CB-CZ 4.26Å; F511-G513 PolarHBondContact O-N 3.26Å; F511-S514 PolarHBondContact N-OG 2.88Å; F511-S514 WeakPolarHBondContact O-CB 3.19Å; F511-S514 PolarHBondContact O-N 2.8Å; F511-S514 PolarHBondContact O-OG 3.04Å; F511-P872 HydrophobicContact CD2-CB 4.35Å; F511-P872 WeakPolarHBondContact CD2-O 3.03Å; F511-P872 HydrophobicContact CE2-CB 3.7Å; F511-P872 HydrophobicContact CE2-CG 4.3Å; F511-P872 WeakPolarHBondContact CE2-O 3.39Å; F511-P872 HydrophobicContact CZ-CB 4.32Å
512	Q	91.4	Very high	91.1	Very high	100 Å²	100	19.3 Å²	19.3	47%	0.467	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	127	177.8	-171.2	179.8	-8	0	0	112	N484 L486	N484-Q512 HydrophobicContact CB-CB 3.79Å; N484-Q512 PolarHBondContact O-N 3.44Å; L486-Q512 HydrophobicContact CD1-CB 3.98Å; L486-Q512 HydrophobicContact CD1-CG 4.32Å; L486-Q512 HydrophobicContact CD2-CB 4.24Å; L486-Q512 HydrophobicContact CG-CB 4.1Å
513	G	90.4	Very high	91.1	Very high	14 Å²	14	21.4 Å²	21.4	14%	0.144	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	16.7	178.5	0	0	0	0	0	114.7	R169 L170 G171 F511	R169-G513 CarbonylContact C-O 3.55Å; L170-G513 PolarHBondContact N-O 2.92Å; L170-G513 VanDerWaalsContact N-O 3.17Å; G171-G513 VanDerWaalsContact N-CA 3.34Å; G171-G513 PolarHBondContact N-O 3.24Å; F511-G513 PolarHBondContact O-N 3.26Å
514	S	92.3	Very high	91	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.028	15%	0.147	C	C	.	.			trans	-108.4	-178	178.6	77.3	0	0	0	0	111.4	R168 Y510 F511 G873	R168-S514 PolarHBondContact NH1-O 3.2Å; Y510-S514 WeakPolarHBondContact CD2-OG 3.22Å; Y510-S514 VanDerWaalsContact CE2-OG 3.23Å; Y510-S514 WeakPolarHBondContact CE2-OG 3.42Å; Y510-S514 PolarHBondContact OH-O 3.08Å; F511-S514 PolarHBondContact N-OG 2.88Å; F511-S514 WeakPolarHBondContact O-CB 3.19Å; F511-S514 PolarHBondContact O-N 2.8Å; F511-S514 PolarHBondContact O-OG 3.04Å; S514-G873 CarbonylContact C-O 3.54Å; S514-G873 VanDerWaalsContact CB-C 3.49Å; S514-G873 WeakPolarHBondContact CB-O 3.4Å; S514-G873 WeakPolarHBondContact OG-CA 3.38Å; S514-G873 PolarHBondContact OG-O 3.18Å
515	E	92	Very high	91	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.023	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-149.8	123.8	177.2	-177.9	170.7	-109.9	0	0	111.2	R63 R168 Y173 F285 A287 V517 G873	R63-E515 IonicContact CZ-OE1 3.41Å; R63-E515 IonicContact NE-OE1 3.89Å; R63-E515 PolarHBondContact NE-OE1 2.9Å; R63-E515 IonicContact NE-OE2 3.95Å; R63-E515 IonicContact NH2-OE1 2.73Å; R63-E515 PolarHBondContact NH2-OE1 3.39Å; R168-E515 HydrophobicContact CB-CB 3.62Å; R168-E515 HydrophobicContact CG-CB 4.36Å; Y173-E515 VanDerWaalsContact OH-CD 3.3Å; Y173-E515 PolarHBondContact OH-OE1 2.89Å; Y173-E515 PolarHBondContact OH-OE2 2.77Å; Y173-E515 VanDerWaalsContact OH-OE2 3.08Å; F285-E515 HydrophobicContact CB-CG 4.32Å; F285-E515 HydrophobicContact CD1-CG 4.48Å; A287-E515 HydrophobicContact CB-CB 4.04Å; A287-E515 HydrophobicContact CB-CG 4.03Å; E515-V517 HydrophobicContact CG-CG2 4.03Å; E515-G873 CarbonylContact C-O 3.56Å; E515-G873 WeakPolarHBondContact CA-O 3.11Å; E515-G873 PolarHBondContact N-O 3.25Å
516	L	92.2	Very high	90.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	147.7	168.6	-46.4	-176	0	0	0	108.9	F285 F286 V490 F507 Y510 G873	F285-L516 CarbonylContact C-O 3.57Å; F286-L516 HydrophobicContact CB-CB 4.23Å; F286-L516 HydrophobicContact CD1-CB 4.25Å; F286-L516 HydrophobicContact CD1-CD1 3.72Å; F286-L516 HydrophobicContact CD1-CG 4.04Å; F286-L516 HydrophobicContact CE1-CD1 4.18Å; F286-L516 PolarHBondContact N-O 3.15Å; F286-L516 PolarHBondContact O-N 3.43Å; V490-L516 HydrophobicContact CB-CD1 4.24Å; V490-L516 HydrophobicContact CG1-CD1 3.98Å; F507-L516 HydrophobicContact CB-CD1 3.82Å; F507-L516 HydrophobicContact CB-CD2 4.38Å; F507-L516 HydrophobicContact CD1-CB 4.22Å; F507-L516 HydrophobicContact CD1-CD1 4Å; F507-L516 HydrophobicContact CD1-CD2 3.64Å; F507-L516 HydrophobicContact CD1-CG 4.17Å; F507-L516 HydrophobicContact CD2-CD1 3.91Å; F507-L516 HydrophobicContact CE1-CB 3.92Å; F507-L516 HydrophobicContact CE1-CD1 4.49Å; F507-L516 HydrophobicContact CE1-CD2 4.06Å; F507-L516 HydrophobicContact CE1-CG 4.38Å; F507-L516 HydrophobicContact CE2-CB 4.44Å; F507-L516 HydrophobicContact CE2-CD1 4.46Å; F507-L516 HydrophobicContact CG-CD1 3.66Å; F507-L516 HydrophobicContact CG-CD2 4.13Å; F507-L516 HydrophobicContact CG-CG 4.33Å; F507-L516 HydrophobicContact CZ-CB 4.05Å; Y510-L516 HydrophobicContact CD2-CD1 4.43Å; Y510-L516 HydrophobicContact CD2-CD2 4.13Å; Y510-L516 HydrophobicContact CD2-CG 3.94Å; L516-G873 VanDerWaalsContact CD2-CA 3.43Å
517	V	91.8	Very high	90.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	126.2	-175.2	-169.3	0	0	0	0	109.6	L165 V283 H284 F285 E515 F582 T875	L165-V517 HydrophobicContact CD2-CG2 4.37Å; V283-V517 HydrophobicContact CG2-CG1 3.57Å; H284-V517 VanDerWaalsContact O-CA 3.27Å; H284-V517 WeakPolarHBondContact O-CA 3.37Å; F285-V517 HydrophobicContact CD1-CB 4.45Å; F285-V517 HydrophobicContact CD1-CG1 3.91Å; F285-V517 HydrophobicContact CD1-CG2 3.69Å; F285-V517 HydrophobicContact CE1-CG1 3.95Å; F285-V517 HydrophobicContact CE1-CG2 4.18Å; E515-V517 HydrophobicContact CG-CG2 4.03Å; V517-F582 HydrophobicContact CB-CE2 4.19Å; V517-F582 HydrophobicContact CB-CZ 3.94Å; V517-F582 HydrophobicContact CG1-CE2 3.7Å; V517-F582 HydrophobicContact CG1-CZ 3.95Å; V517-T875 HydrophobicContact CB-CG2 3.61Å; V517-T875 HydrophobicContact CG2-CG2 3.92Å; V517-T875 WeakPolarHBondContact CG2-OG1 3.27Å
518	V	93.3	Very high	90.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140	174.2	-177.9	0	0	0	0	108.2	F282 V283 H284 L492 Y494 I502 T503 T505 F507	F282-V518 HydrophobicContact CE2-CG1 4.34Å; V283-V518 CarbonylContact C-O 3.59Å; V283-V518 VanDerWaalsContact CA-O 3.3Å; V283-V518 WeakPolarHBondContact CA-O 3.43Å; H284-V518 PolarHBondContact N-O 3.32Å; H284-V518 PolarHBondContact O-N 3.01Å; L492-V518 HydrophobicContact CB-CG2 4.18Å; L492-V518 HydrophobicContact CD1-CG2 3.57Å; L492-V518 HydrophobicContact CG-CG2 4.45Å; Y494-V518 HydrophobicContact CE2-CG1 3.8Å; Y494-V518 WeakPolarHBondContact OH-CB 3.1Å; I502-V518 HydrophobicContact CG2-CG1 3.5Å; T503-V518 WeakPolarHBondContact OG1-CA 3.4Å; T503-V518 VanDerWaalsContact OG1-CG1 3.28Å; T503-V518 WeakPolarHBondContact OG1-CG1 2.95Å; T505-V518 HydrophobicContact CG2-CG1 4.32Å; F507-V518 HydrophobicContact CE2-CG2 3.89Å; F507-V518 HydrophobicContact CZ-CG2 3.95Å
519	A	92.9	Very high	90.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152	171.6	0	0	0	0	0	110.4	F282 I502 T503 W579 F582	F282-A519 CarbonylContact O-C 3.56Å; F282-A519 VanDerWaalsContact O-CA 3.25Å; F282-A519 WeakPolarHBondContact O-CA 3.42Å; I502-A519 WeakPolarHBondContact CA-O 3.19Å; T503-A519 HydrophobicContact CG2-CB 4.16Å; T503-A519 WeakPolarHBondContact CG2-O 3.24Å; T503-A519 PolarHBondContact N-O 3.39Å; T503-A519 PolarHBondContact OG1-N 3.15Å; T503-A519 PolarHBondContact OG1-O 3.29Å; T503-A519 VanDerWaalsContact OG1-O 3.09Å; A519-W579 HydrophobicContact CB-CB 4.08Å; A519-F582 HydrophobicContact CB-CD2 4.18Å
520	G	93.5	Very high	90.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-169.7	-179.9	0	0	0	0	0	112.7	Y281 F282	Y281-G520 CarbonylContact C-O 3.55Å; Y281-G520 WeakPolarHBondContact CA-O 3.48Å; F282-G520 VanDerWaalsContact CD1-C 3.45Å; F282-G520 VanDerWaalsContact CE1-CA 3.43Å; F282-G520 PolarHBondContact N-O 3.02Å; F282-G520 PolarHBondContact O-N 2.74Å
521	R	93.9	Very high	90.8	Very high	68 Å²	68	38 Å²	38	26%	0.257	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.8	-179	-58	178.8	71.9	-158.5	-7.1	109.9	G280 Y281 A499 F500 D501 W579	G280-R521 WeakPolarHBondContact O-CA 3.4Å; Y281-R521 HydrophobicContact CD1-CG 3.66Å; Y281-R521 HydrophobicContact CE1-CG 3.53Å; Y281-R521 PolarHBondContact OH-NE 3.32Å; A499-R521 CarbonylContact C-O 3.5Å; A499-R521 VanDerWaalsContact CA-O 3.27Å; A499-R521 WeakPolarHBondContact CA-O 3.43Å; F500-R521 HydrophobicContact CD1-CB 3.81Å; F500-R521 WeakPolarHBondContact CD1-O 3.36Å; F500-R521 HydrophobicContact CD2-CB 4.38Å; F500-R521 HydrophobicContact CE1-CB 3.53Å; F500-R521 HydrophobicContact CE2-CB 4.16Å; F500-R521 VanDerWaalsContact CE2-NH1 3.34Å; F500-R521 HydrophobicContact CG-CB 4.24Å; F500-R521 HydrophobicContact CZ-CB 3.73Å; F500-R521 PolarHBondContact N-O 2.94Å; F500-R521 WeakPolarHBondContact O-CB 3.44Å; F500-R521 PolarHBondContact O-N 3.49Å; D501-R521 HydrophobicContact CB-CB 4.48Å; D501-R521 HydrophobicContact CB-CG 4.02Å; D501-R521 WeakPolarHBondContact OD2-CD 3.36Å; D501-R521 IonicContact OD2-CZ 3.44Å; D501-R521 IonicContact OD2-NE 3.94Å; D501-R521 IonicContact OD2-NH1 3.85Å; D501-R521 PolarHBondContact OD2-NH1 3.01Å; R521-W579 HydrophobicContact CG-CD2 4.43Å; R521-W579 HydrophobicContact CG-CZ2 4.37Å
522	V	92.9	Very high	90.8	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.1	177	-171.3	0	0	0	0	108.5	V277 G280 F282 V526 L529 I550	V277-V522 HydrophobicContact CG1-CG2 3.92Å; G280-V522 PolarHBondContact O-N 2.89Å; F282-V522 HydrophobicContact CB-CG2 4.21Å; F282-V522 HydrophobicContact CD1-CG2 3.78Å; F282-V522 HydrophobicContact CG-CG2 4.45Å; V522-V526 HydrophobicContact CG1-CB 3.72Å; V522-V526 HydrophobicContact CG1-CG1 4.01Å; V522-V526 HydrophobicContact CG1-CG2 4.01Å; V522-L529 HydrophobicContact CG2-CD2 4.37Å; V522-I550 HydrophobicContact CG1-CD1 3.82Å
523	K	92.3	Very high	90.8	Very high	75 Å²	75	34.1 Å²	34.1	33%	0.326	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-73.9	149.1	178.7	-62.9	-166.5	-150.5	161.8	0	111.7	D496 D497 Q498 F500 G525 V526	D496-K523 WeakPolarHBondContact O-CE 3.32Å; D496-K523 PolarHBondContact O-NZ 3.5Å; D497-K523 VanDerWaalsContact C-NZ 3.34Å; D497-K523 WeakPolarHBondContact O-CD 3.48Å; D497-K523 WeakPolarHBondContact O-CE 3.35Å; D497-K523 PolarHBondContact O-NZ 2.74Å; Q498-K523 PolarHBondContact O-N 3.47Å; F500-K523 HydrophobicContact CD1-CG 3.63Å; F500-K523 HydrophobicContact CE1-CG 3.95Å; K523-G525 PolarHBondContact O-N 2.97Å; K523-V526 HydrophobicContact CB-CG2 4.27Å; K523-V526 WeakPolarHBondContact O-CG2 3.24Å; K523-V526 PolarHBondContact O-N 3.29Å
524	P	89.3	Confident	90.9	Very high	133 Å²	133	35.9 Å²	35.9	86%	0.864	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	133.4	175.7	-24.1	34.3	0	0	0	112
525	G	85.3	Confident	90.8	Very high	74 Å²	74	36 Å²	36	76%	0.763	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.1	-10.7	175.7	0	0	0	0	0	115.8	K523	K523-G525 PolarHBondContact O-N 2.97Å
526	V	87.3	Confident	90.5	Very high	35 Å²	35	37.9 Å²	37.9	21%	0.212	22%	0.219	C	C	.	.			trans	-63	137.9	168.3	-176.8	0	0	0	0	109.2	Q498 V522 K523 D528 I550	Q498-V526 HydrophobicContact CB-CG1 4.19Å; Q498-V526 HydrophobicContact CB-CG2 4.01Å; Q498-V526 HydrophobicContact CG-CG1 4.11Å; Q498-V526 HydrophobicContact CG-CG2 4.16Å; V522-V526 HydrophobicContact CG1-CB 3.72Å; V522-V526 HydrophobicContact CG1-CG1 4.01Å; V522-V526 HydrophobicContact CG1-CG2 4.01Å; K523-V526 HydrophobicContact CB-CG2 4.27Å; K523-V526 WeakPolarHBondContact O-CG2 3.24Å; K523-V526 PolarHBondContact O-N 3.29Å; V526-D528 WeakPolarHBondContact CG1-O 3.45Å; V526-I550 HydrophobicContact CB-CD1 4.16Å; V526-I550 HydrophobicContact CG1-CD1 3.77Å
527	K	84.6	Confident	90.1	Very high	159 Å²	159	38.9 Å²	38.9	69%	0.691	22%	0.224	S	C	*	.			trans	-110.4	-33.8	177.1	-66.1	-178.2	-179	177.1	0	113	I550	K527-I550 WeakPolarHBondContact O-CA 3.24Å; K527-I550 WeakPolarHBondContact O-CB 3.35Å; K527-I550 WeakPolarHBondContact O-CG1 3.43Å; K527-I550 PolarHBondContact O-N 3.23Å
528	D	86.7	Confident	89.1	Confident	66 Å²	66	39.9 Å²	39.9	35%	0.353	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.3	-177.3	-49.1	-67.8	0	0	0	106.6	Q498 V526 N547 V548 L549	Q498-D528 PolarHBondContact OE1-O 2.98Å; V526-D528 WeakPolarHBondContact CG1-O 3.45Å; D528-N547 HydrophobicContact CB-CB 4.4Å; D528-V548 WeakPolarHBondContact CA-O 3.39Å; D528-L549 VanDerWaalsContact OD1-CD2 3.25Å; D528-L549 WeakPolarHBondContact OD1-CD2 3.22Å
529	L	88.7	Confident	87.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	109.9	177.6	177.7	63.9	0	0	0	108.5	V275 V277 F282 Y494 Q498 A499 V522 V531 V548 I550	V275-L529 HydrophobicContact CG1-CD2 4.49Å; V277-L529 HydrophobicContact CG2-CD2 4.34Å; F282-L529 HydrophobicContact CB-CD2 4.18Å; F282-L529 HydrophobicContact CD1-CD2 4.09Å; F282-L529 HydrophobicContact CD2-CD2 4.31Å; F282-L529 HydrophobicContact CG-CD2 3.95Å; Y494-L529 HydrophobicContact CD1-CD2 4.47Å; Q498-L529 HydrophobicContact CB-CD1 4.25Å; A499-L529 HydrophobicContact CB-CD1 4.25Å; V522-L529 HydrophobicContact CG2-CD2 4.37Å; L529-V531 HydrophobicContact CD2-CG2 4.48Å; L529-V531 HydrophobicContact CG-CG2 4.23Å; L529-V531 PolarHBondContact O-N 2.63Å; L529-V548 HydrophobicContact CB-CB 4.45Å; L529-V548 PolarHBondContact N-O 2.88Å; L529-V548 PolarHBondContact O-N 2.8Å; L529-I550 HydrophobicContact CB-CD1 4.36Å; L529-I550 HydrophobicContact CB-CG1 4.45Å
530	K	91.1	Very high	86.9	Confident	46 Å²	46	52.7 Å²	52.7	20%	0.2	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.3	174.5	-168.9	-173.3	-172.7	-161.3	0	109.6	M495 E545	M495-K530 HydrophobicContact CG-CB 3.95Å; M495-K530 HydrophobicContact CG-CD 4.12Å; M495-K530 HydrophobicContact CG-CG 4.47Å; M495-K530 HydrophobicContact SD-CD 4.09Å; K530-E545 VanDerWaalsContact CE-CD 3.47Å; K530-E545 WeakPolarHBondContact CE-OE1 3.4Å; K530-E545 VanDerWaalsContact CE-OE2 3.25Å; K530-E545 WeakPolarHBondContact CE-OE2 3.43Å; K530-E545 IonicContact NZ-OE1 3.75Å; K530-E545 PolarHBondContact NZ-OE1 2.94Å; K530-E545 IonicContact NZ-OE2 2.77Å; K530-E545 PolarHBondContact NZ-OE2 3.3Å
531	V	92.2	Very high	86.2	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.024	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.9	176.1	-176.5	0	0	0	0	108.4	V275 Y494 L529 E545 D546 V548	V275-V531 HydrophobicContact CG2-CG2 4.32Å; Y494-V531 HydrophobicContact CD1-CG1 4.48Å; Y494-V531 HydrophobicContact CD1-CG2 3.98Å; Y494-V531 HydrophobicContact CE1-CG1 4Å; Y494-V531 HydrophobicContact CE1-CG2 3.9Å; L529-V531 HydrophobicContact CD2-CG2 4.48Å; L529-V531 HydrophobicContact CG-CG2 4.23Å; L529-V531 PolarHBondContact O-N 2.63Å; V531-E545 WeakPolarHBondContact O-CA 3.42Å; V531-D546 PolarHBondContact N-O 2.88Å; V531-D546 PolarHBondContact O-N 2.9Å; V531-V548 HydrophobicContact CG2-CG2 3.91Å
532	S	92.3	Very high	85.7	Confident	16 Å²	16	58.3 Å²	58.3	11%	0.112	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.3	175	55.9	0	0	0	0	111.2	S493 L544	S493-S532 WeakPolarHBondContact CB-OG 3.37Å; S493-S532 PolarHBondContact N-O 3.05Å; S493-S532 PolarHBondContact O-N 2.77Å; S493-S532 PolarHBondContact O-OG 2.86Å; S532-L544 CarbonylContact C-O 3.57Å; S532-L544 WeakPolarHBondContact CA-O 3.43Å
533	V	92.4	Very high	85.4	Confident	3 Å²	3	62 Å²	62	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.9	-177.7	178.4	0	0	0	0	109	L272 F286 V490 Q491 L492 S543 L544	L272-V533 HydrophobicContact CD2-CB 3.87Å; L272-V533 HydrophobicContact CD2-CG2 3.49Å; L272-V533 VanDerWaalsContact CD2-CG2 3.49Å; F286-V533 HydrophobicContact CD2-CG2 4.49Å; F286-V533 HydrophobicContact CE2-CG1 3.77Å; F286-V533 HydrophobicContact CE2-CG2 4.37Å; F286-V533 HydrophobicContact CZ-CG1 3.99Å; V490-V533 HydrophobicContact CG1-CG1 4.4Å; Q491-V533 WeakPolarHBondContact O-CA 3.19Å; L492-V533 HydrophobicContact CD2-CB 4.1Å; L492-V533 HydrophobicContact CD2-CG1 3.67Å; L492-V533 HydrophobicContact CD2-CG2 3.45Å; L492-V533 VanDerWaalsContact CD2-CG2 3.45Å; V533-S543 CarbonylContact O-C 3.58Å; V533-S543 VanDerWaalsContact O-CA 3.31Å; V533-S543 WeakPolarHBondContact O-CA 3.27Å; V533-L544 PolarHBondContact N-O 2.95Å; V533-L544 PolarHBondContact O-N 3.42Å
534	S	91.9	Very high	85.1	Confident	52 Å²	52	61.3 Å²	61.3	36%	0.364	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.1	170.4	60.6	0	0	0	0	110.5	Q491 I542	Q491-S534 PolarHBondContact N-O 2.93Å; Q491-S534 PolarHBondContact O-N 2.9Å; S534-I542 VanDerWaalsContact CA-O 3.3Å; S534-I542 WeakPolarHBondContact CA-O 3.48Å
535	A	90.2	Very high	85.1	Confident	5 Å²	5	60.2 Å²	60.2	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.9	-177.3	0	0	0	0	0	111.4	L487 V490 N541 I542	L487-A535 HydrophobicContact CB-CB 4.24Å; L487-A535 HydrophobicContact CD1-CB 3.95Å; L487-A535 HydrophobicContact CD2-CB 4.1Å; L487-A535 HydrophobicContact CG-CB 4.33Å; V490-A535 HydrophobicContact CB-CB 4.31Å; V490-A535 HydrophobicContact CG1-CB 4.32Å; V490-A535 HydrophobicContact CG2-CB 3.89Å; A535-N541 CarbonylContact O-C 3.51Å; A535-N541 WeakPolarHBondContact O-CA 3.37Å; A535-I542 PolarHBondContact N-O 3.01Å; A535-I542 PolarHBondContact O-N 3.03Å
536	T	86.3	Confident	84.9	Confident	46 Å²	46	60.5 Å²	60.5	28%	0.282	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.4	174.2	-48.6	0	0	0	0	110.4	L487 S488	L487-T536 CarbonylContact C-O 3.54Å; L487-T536 VanDerWaalsContact CA-O 3.29Å; L487-T536 WeakPolarHBondContact CA-O 3.26Å; S488-T536 PolarHBondContact N-O 3.34Å; S488-T536 PolarHBondContact O-N 2.87Å
537	D	82.4	Confident	84.6	Confident	21 Å²	21	63 Å²	63	11%	0.112	33%	0.328	C	S	.	.			trans	-105	-172.8	176.5	114.4	-65.1	0	0	0	111.6	L487 K539 H540 I542	L487-D537 HydrophobicContact CD2-CB 3.98Å; D537-K539 PolarHBondContact O-N 3.39Å; D537-K539 VanDerWaalsContact O-N 3.08Å; D537-K539 WeakPolarHBondContact OD1-CA 3.33Å; D537-K539 PolarHBondContact OD1-N 2.86Å; D537-H540 PolarHBondContact N-O 2.7Å; D537-H540 PolarHBondContact OD1-N 2.83Å; D537-I542 HydrophobicContact CB-CD1 3.76Å; D537-I542 HydrophobicContact CB-CG1 4.21Å
538	S	71.1	Confident	84.4	Confident	21 Å²	21	56.8 Å²	56.8	15%	0.147	30%	0.303	C	S	.	.	S	Bend	trans	-56.3	-13.9	174.2	65.9	0	0	0	0	116.4	P292	P292-S538 WeakPolarHBondContact CG-OG 3.4Å
539	K	65.8	Low	83.8	Confident	138 Å²	138	60 Å²	60	60%	0.6	32%	0.32	S	S	*	.	S	Bend	trans	-139.3	-38.6	-172.1	-65.9	173.4	-173.5	173	0	114.3	Q401 D537	Q401-K539 PolarHBondContact NE2-O 2.96Å; D537-K539 PolarHBondContact O-N 3.39Å; D537-K539 VanDerWaalsContact O-N 3.08Å; D537-K539 WeakPolarHBondContact OD1-CA 3.33Å; D537-K539 PolarHBondContact OD1-N 2.86Å
540	H	73.8	Confident	83.1	Confident	132 Å²	132	62.2 Å²	62.2	61%	0.611	33%	0.331	S	S	*	.	S	Bend	trans	-143.6	166.1	-166.8	-58.2	-54.1	0	0	0	112.5	D537	D537-H540 PolarHBondContact N-O 2.7Å; D537-H540 PolarHBondContact OD1-N 2.83Å
541	N	80.3	Confident	81.6	Confident	135 Å²	135	64 Å²	64	72%	0.722	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.5	163	-63	19.1	0	0	0	107.9	A535	A535-N541 CarbonylContact O-C 3.51Å; A535-N541 WeakPolarHBondContact O-CA 3.37Å
542	I	83.6	Confident	79.2	Confident	51 Å²	51	69.5 Å²	69.5	26%	0.262	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.2	170.2	-63.3	176.3	0	0	0	107.8	L487 S534 A535 D537 L544	L487-I542 HydrophobicContact CD2-CD1 3.98Å; S534-I542 VanDerWaalsContact CA-O 3.3Å; S534-I542 WeakPolarHBondContact CA-O 3.48Å; A535-I542 PolarHBondContact N-O 3.01Å; A535-I542 PolarHBondContact O-N 3.03Å; D537-I542 HydrophobicContact CB-CD1 3.76Å; D537-I542 HydrophobicContact CB-CG1 4.21Å; I542-L544 HydrophobicContact CG2-CD1 4.25Å; I542-L544 HydrophobicContact CG2-CG 3.99Å
543	S	85.7	Confident	76.7	Confident	89 Å²	89	71.7 Å²	71.7	62%	0.622	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.5	164.6	-172.3	0	0	0	0	109.1	V533	V533-S543 CarbonylContact O-C 3.58Å; V533-S543 VanDerWaalsContact O-CA 3.31Å; V533-S543 WeakPolarHBondContact O-CA 3.27Å
544	L	86.8	Confident	74	Confident	61 Å²	61	80.8 Å²	80.8	32%	0.319	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143	179.4	-62.5	173	0	0	0	108.5	L271 L272 S532 V533 I542	L271-L544 HydrophobicContact CB-CD1 4.19Å; L272-L544 HydrophobicContact CD1-CB 4.37Å; L272-L544 HydrophobicContact CD2-CB 3.5Å; L272-L544 VanDerWaalsContact CD2-CB 3.5Å; L272-L544 HydrophobicContact CD2-CD1 4.34Å; L272-L544 HydrophobicContact CG-CB 3.91Å; L272-L544 HydrophobicContact CG-CD1 4.3Å; S532-L544 CarbonylContact C-O 3.57Å; S532-L544 WeakPolarHBondContact CA-O 3.43Å; V533-L544 PolarHBondContact N-O 2.95Å; V533-L544 PolarHBondContact O-N 3.42Å; I542-L544 HydrophobicContact CG2-CD1 4.25Å; I542-L544 HydrophobicContact CG2-CG 3.99Å
545	E	87.4	Confident	71.5	Confident	110 Å²	110	86.6 Å²	86.6	51%	0.514	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.3	173.5	-54.9	-161	124.3	0	0	110.1	K530 V531	K530-E545 VanDerWaalsContact CE-CD 3.47Å; K530-E545 WeakPolarHBondContact CE-OE1 3.4Å; K530-E545 VanDerWaalsContact CE-OE2 3.25Å; K530-E545 WeakPolarHBondContact CE-OE2 3.43Å; K530-E545 IonicContact NZ-OE1 3.75Å; K530-E545 PolarHBondContact NZ-OE1 2.94Å; K530-E545 IonicContact NZ-OE2 2.77Å; K530-E545 PolarHBondContact NZ-OE2 3.3Å; V531-E545 WeakPolarHBondContact O-CA 3.42Å
546	D	82.5	Confident	68.6	Low	81 Å²	81	94.1 Å²	94.1	43%	0.433	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	169.8	168.5	-167.1	22.1	0	0	0	111.5	L272 V531	L272-D546 HydrophobicContact CD1-CB 3.37Å; V531-D546 PolarHBondContact N-O 2.88Å; V531-D546 PolarHBondContact O-N 2.9Å
547	N	80.9	Confident	66.1	Low	86 Å²	86	95.1 Å²	95.1	46%	0.46	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	106.2	-177.9	-56.5	-83.8	0	0	0	110.3	D528 L549	D528-N547 HydrophobicContact CB-CB 4.4Å; N547-L549 PolarHBondContact O-N 2.97Å
548	V	79.4	Confident	64	Low	29 Å²	29	99.7 Å²	99.7	18%	0.176	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.1	105.5	-176.6	-176.7	0	0	0	0	109.8	V275 D528 L529 V531 I550	V275-V548 HydrophobicContact CB-CB 4.45Å; V275-V548 HydrophobicContact CB-CG1 3.98Å; V275-V548 HydrophobicContact CB-CG2 3.81Å; V275-V548 HydrophobicContact CG1-CB 4.3Å; V275-V548 HydrophobicContact CG1-CG1 3.94Å; V275-V548 HydrophobicContact CG1-CG2 4Å; V275-V548 HydrophobicContact CG2-CG2 3.99Å; D528-V548 WeakPolarHBondContact CA-O 3.39Å; L529-V548 HydrophobicContact CB-CB 4.45Å; L529-V548 PolarHBondContact N-O 2.88Å; L529-V548 PolarHBondContact O-N 2.8Å; V531-V548 HydrophobicContact CG2-CG2 3.91Å; V548-I550 PolarHBondContact O-N 3.47Å
549	L	75.1	Confident	62.2	Low	134 Å²	134	109.4 Å²	109.4	70%	0.702	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-52.4	117.6	172.4	-81.3	152.9	0	0	0	111.2	D528 N547 S551	D528-L549 VanDerWaalsContact OD1-CD2 3.25Å; D528-L549 WeakPolarHBondContact OD1-CD2 3.22Å; N547-L549 PolarHBondContact O-N 2.97Å; L549-S551 VanDerWaalsContact C-N 3.33Å; L549-S551 PolarHBondContact O-N 3Å
550	I	74.1	Confident	60.8	Low	46 Å²	46	107 Å²	107	24%	0.236	61%	0.608	C	S	.	*			trans	-81.1	85.4	173.9	-54.1	174.8	0	0	0	107.7	V277 V522 V526 K527 L529 V548 S552	V277-I550 HydrophobicContact CB-CG2 4.3Å; V277-I550 HydrophobicContact CG1-CD1 4.4Å; V277-I550 HydrophobicContact CG1-CG1 4.22Å; V277-I550 HydrophobicContact CG1-CG2 3.84Å; V277-I550 HydrophobicContact CG2-CG1 4.42Å; V522-I550 HydrophobicContact CG1-CD1 3.82Å; V526-I550 HydrophobicContact CB-CD1 4.16Å; V526-I550 HydrophobicContact CG1-CD1 3.77Å; K527-I550 WeakPolarHBondContact O-CA 3.24Å; K527-I550 WeakPolarHBondContact O-CB 3.35Å; K527-I550 WeakPolarHBondContact O-CG1 3.43Å; K527-I550 PolarHBondContact O-N 3.23Å; L529-I550 HydrophobicContact CB-CD1 4.36Å; L529-I550 HydrophobicContact CB-CG1 4.45Å; V548-I550 PolarHBondContact O-N 3.47Å; I550-S552 PolarHBondContact O-N 2.79Å; I550-S552 VanDerWaalsContact O-N 3.09Å
551	S	58.8	Low	59	Low	83 Å²	83	107.2 Å²	107.2	58%	0.58	61%	0.608	S	S	*	*			trans	-60.9	112.8	178.2	47.5	0	0	0	0	110.8	L549 A553	L549-S551 VanDerWaalsContact C-N 3.33Å; L549-S551 PolarHBondContact O-N 3Å; S551-A553 PolarHBondContact O-N 2.84Å
552	S	41.9	Very low	57.2	Low	121 Å²	121	104 Å²	104	85%	0.846	59%	0.59	S	S	*	*			trans	-73.3	74.6	175.5	59.3	0	0	0	0	110.4	I550 K554	I550-S552 PolarHBondContact O-N 2.79Å; I550-S552 VanDerWaalsContact O-N 3.09Å; S552-K554 PolarHBondContact O-N 2.89Å
553	A	40	Very low	55.5	Low	61 Å²	61	107.9 Å²	107.9	50%	0.504	61%	0.612	S	S	.	*			trans	-70.3	79.2	-165.1	0	0	0	0	0	114.2	S551 E555	S551-A553 PolarHBondContact O-N 2.84Å; A553-E555 HydrophobicContact CB-CG 4.38Å; A553-E555 PolarHBondContact O-N 2.9Å
554	K	36.9	Very low	53.9	Low	194 Å²	194	104.3 Å²	104.3	84%	0.843	59%	0.586	S	S	*	*			trans	-83	87.3	145.1	-74.9	-172.6	176.7	-177.6	0	108.2	S552 N556	S552-K554 PolarHBondContact O-N 2.89Å; K554-N556 PolarHBondContact O-N 3.08Å
555	E	37.9	Very low	52.1	Low	174 Å²	174	105.4 Å²	105.4	81%	0.813	60%	0.599	S	S	*	*			trans	-70.6	93.1	176.7	-70.8	-161.6	140	0	0	111.6	A553 G557	A553-E555 HydrophobicContact CB-CG 4.38Å; A553-E555 PolarHBondContact O-N 2.9Å; E555-G557 PolarHBondContact O-N 3.14Å
556	N	30.7	Very low	50.1	Low	164 Å²	164	103.1 Å²	103.1	88%	0.877	61%	0.605	S	S	*	*			trans	-81.3	94.1	169.3	-90.6	-8.5	0	0	0	110.9	K554	K554-N556 PolarHBondContact O-N 3.08Å
557	G	32.7	Very low	48.2	Very low	66 Å²	66	104.1 Å²	104.1	68%	0.68	61%	0.607	S	S	*	*			trans	84.1	109	138.7	0	0	0	0	0	119.5	E555	E555-G557 PolarHBondContact O-N 3.14Å
558	S	39.5	Very low	46.7	Very low	117 Å²	117	103.4 Å²	103.4	82%	0.818	60%	0.603	S	S	*	*			trans	68	110.3	142.6	-165.5	0	0	0	0	119.6
559	R	33.2	Very low	45	Very low	225 Å²	225	110.3 Å²	110.3	85%	0.849	63%	0.634	S	S	*	*			trans	-160.4	116.8	130.1	-105.3	155	-165.3	-146.6	1.8	111.8	F561	R559-F561 WeakPolarHBondContact O-CD2 3.36Å; R559-F561 WeakPolarHBondContact O-CE2 3.36Å; R559-F561 PolarHBondContact O-N 2.73Å
560	G	35.8	Very low	43.7	Very low	88 Å²	88	106.1 Å²	106.1	91%	0.907	62%	0.623	S	S	*	*			trans	44.2	69.1	155.2	0	0	0	0	0	119
561	F	35.2	Very low	42.6	Very low	137 Å²	137	105.1 Å²	105.1	60%	0.601	62%	0.619	S	S	*	*			trans	-107.6	146.3	170.9	-78.5	-83.9	0	0	0	112.7	R559	R559-F561 WeakPolarHBondContact O-CD2 3.36Å; R559-F561 WeakPolarHBondContact O-CE2 3.36Å; R559-F561 PolarHBondContact O-N 2.73Å
562	L	43.8	Very low	42.4	Very low	68 Å²	68	104.3 Å²	104.3	36%	0.356	61%	0.613	S	S	.	*			trans	-60.5	171.8	153.6	-88.6	94.8	0	0	0	110	E231 C564	E231-L562 HydrophobicContact CB-CD2 3.89Å; L562-C564 PolarHBondContact O-N 2.78Å
563	N	46.3	Very low	43.8	Very low	132 Å²	132	101 Å²	101	71%	0.706	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	35.3	-170.3	-138.9	12.6	0	0	0	115	R238	R238-N563 PolarHBondContact NH1-O 3.29Å
564	C	54	Low	45.8	Very low	13 Å²	13	98.5 Å²	98.5	9%	0.088	56%	0.564	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-19.3	175.3	-49.9	0	0	0	0	112.8	C236 L562 G566	C236-C564 HydrophobicContact CB-CB 3.99Å; C236-C564 WeakPolarHBondContact CB-SG 3.48Å; C236-C564 WeakPolarHBondContact SG-CB 3.47Å; C236-C564 CovalentContact SG-SG 2.04Å; C236-C564 PolarHBondContact SG-SG 3.05Å; L562-C564 PolarHBondContact O-N 2.78Å; C564-G566 PolarHBondContact O-N 3.41Å; C564-G566 VanDerWaalsContact O-N 3.14Å
565	S	48.6	Very low	48.2	Very low	84 Å²	84	89.3 Å²	89.3	59%	0.587	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-8	-179.8	55.8	0	0	0	0	114.5
566	G	45.2	Very low	50.7	Low	63 Å²	63	84.4 Å²	84.4	65%	0.649	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-16.6	-173.2	0	0	0	0	0	116.5	C564	C564-G566 PolarHBondContact O-N 3.41Å; C564-G566 VanDerWaalsContact O-N 3.14Å
567	E	43.3	Very low	53.5	Low	101 Å²	101	79 Å²	79	47%	0.472	47%	0.465	S	S	.	.	S	Bend	trans	-127.5	22.7	-177.7	-66.4	-170.7	165.3	0	0	112.7	R57 S59 E569	R57-E567 IonicContact NH1-OE1 3.26Å; S59-E567 PolarHBondContact OG-OE2 3.11Å; E567-E569 PolarHBondContact O-N 3.06Å; E567-E569 VanDerWaalsContact O-N 3.14Å
568	L	47.8	Very low	56.2	Low	72 Å²	72	75.8 Å²	75.8	38%	0.377	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-72.9	-1.6	-174.5	-130.8	74.5	0	0	0	115.1	G570 V571	L568-G570 PolarHBondContact O-N 2.91Å; L568-G570 VanDerWaalsContact O-N 3.15Å; L568-V571 HydrophobicContact CD1-CG2 3.96Å; L568-V571 HydrophobicContact CG-CB 4.13Å; L568-V571 HydrophobicContact CG-CG2 3.72Å; L568-V571 WeakPolarHBondContact O-CB 3.5Å; L568-V571 PolarHBondContact O-N 2.83Å
569	E	44	Very low	58.7	Low	174 Å²	174	71 Å²	71	81%	0.813	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-55	-32.8	177.3	-66.4	-169.5	130.3	0	0	112.6	E567 V571 S572	E567-E569 PolarHBondContact O-N 3.06Å; E567-E569 VanDerWaalsContact O-N 3.14Å; E569-V571 VanDerWaalsContact C-N 3.31Å; E569-V571 PolarHBondContact O-N 2.85Å; E569-S572 PolarHBondContact O-OG 2.86Å
570	G	48.1	Very low	61.4	Low	46 Å²	46	60.2 Å²	60.2	47%	0.474	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-64.7	-29.2	175.7	0	0	0	0	0	114.4	L568 S572 N573 F574	L568-G570 PolarHBondContact O-N 2.91Å; L568-G570 VanDerWaalsContact O-N 3.15Å; G570-S572 VanDerWaalsContact C-N 3.25Å; G570-S572 PolarHBondContact O-N 2.97Å; G570-N573 PolarHBondContact O-N 3.49Å; G570-F574 PolarHBondContact O-N 2.84Å; G570-F574 VanDerWaalsContact O-N 3.07Å
571	V	50.8	Low	63.9	Low	25 Å²	25	56.1 Å²	56.1	15%	0.152	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-71.9	-20.4	-175.2	-174.4	0	0	0	0	112.1	A61 L568 E569 N573 F574	A61-V571 HydrophobicContact CB-CG2 3.78Å; L568-V571 HydrophobicContact CD1-CG2 3.96Å; L568-V571 HydrophobicContact CG-CB 4.13Å; L568-V571 HydrophobicContact CG-CG2 3.72Å; L568-V571 WeakPolarHBondContact O-CB 3.5Å; L568-V571 PolarHBondContact O-N 2.83Å; E569-V571 VanDerWaalsContact C-N 3.31Å; E569-V571 PolarHBondContact O-N 2.85Å; V571-N573 PolarHBondContact O-N 3.09Å; V571-F574 HydrophobicContact CG1-CD1 4.09Å; V571-F574 HydrophobicContact CG1-CE1 3.95Å; V571-F574 VanDerWaalsContact O-CD1 3.25Å; V571-F574 WeakPolarHBondContact O-CD1 3.22Å
572	S	53.8	Low	66.4	Low	66 Å²	66	49.8 Å²	49.8	46%	0.462	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-67.2	-20.6	169.7	65.8	0	0	0	0	113.8	E569 G570	E569-S572 PolarHBondContact O-OG 2.86Å; G570-S572 VanDerWaalsContact C-N 3.25Å; G570-S572 PolarHBondContact O-N 2.97Å
573	N	71.9	Confident	68.6	Low	52 Å²	52	46.9 Å²	46.9	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-11.8	-169	-65.4	-69.7	0	0	0	114.7	G570 V571 V575 R576 R577	G570-N573 PolarHBondContact O-N 3.49Å; V571-N573 PolarHBondContact O-N 3.09Å; N573-V575 PolarHBondContact O-N 3.02Å; N573-R576 PolarHBondContact O-N 3.42Å; N573-R576 VanDerWaalsContact OD1-CZ 3.23Å; N573-R576 PolarHBondContact OD1-NH1 3.23Å; N573-R576 PolarHBondContact OD1-NH2 3.36Å; N573-R577 PolarHBondContact O-N 3.31Å; N573-R577 VanDerWaalsContact O-N 3.13Å
574	F	82	Confident	70.6	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.035	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-44.1	-171.4	85.1	-77.9	0	0	0	112.8	Y64 Y278 V283 G570 V571 R576 R577 L578	Y64-F574 HydrophobicContact CD1-CB 3.99Å; Y278-F574 HydrophobicContact CD2-CE1 4.05Å; Y278-F574 HydrophobicContact CD2-CZ 4.42Å; Y278-F574 HydrophobicContact CE2-CE1 4.12Å; Y278-F574 HydrophobicContact CE2-CZ 4.4Å; V283-F574 HydrophobicContact CG1-CE2 4.46Å; G570-F574 PolarHBondContact O-N 2.84Å; G570-F574 VanDerWaalsContact O-N 3.07Å; V571-F574 HydrophobicContact CG1-CD1 4.09Å; V571-F574 HydrophobicContact CG1-CE1 3.95Å; V571-F574 VanDerWaalsContact O-CD1 3.25Å; V571-F574 WeakPolarHBondContact O-CD1 3.22Å; F574-R576 VanDerWaalsContact C-N 3.29Å; F574-R576 PolarHBondContact O-N 2.86Å; F574-R577 CarbonylContact O-C 3.5Å; F574-R577 PolarHBondContact O-N 2.85Å; F574-L578 VanDerWaalsContact O-CB 3.26Å; F574-L578 WeakPolarHBondContact O-CB 3.46Å; F574-L578 PolarHBondContact O-N 2.91Å
575	V	87.8	Confident	72	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-41.3	178.6	-174.7	0	0	0	0	111.6	Y278 V283 N573 R577 L578 W579	Y278-V575 HydrophobicContact CD2-CG2 3.72Å; Y278-V575 HydrophobicContact CG-CG2 4.42Å; V283-V575 HydrophobicContact CB-CG1 4.12Å; V283-V575 HydrophobicContact CG1-CG1 4.08Å; V283-V575 HydrophobicContact CG1-CG2 3.94Å; N573-V575 PolarHBondContact O-N 3.02Å; V575-R577 VanDerWaalsContact C-N 3.34Å; V575-R577 PolarHBondContact O-N 2.96Å; V575-L578 PolarHBondContact O-N 3.36Å; V575-W579 WeakPolarHBondContact O-CB 3.22Å; V575-W579 PolarHBondContact O-N 3.12Å
576	R	90.3	Very high	73.7	Confident	71 Å²	71	37.4 Å²	37.4	27%	0.268	21%	0.211	S	C	.	.	H	α-helix	trans	-64.3	-36.8	176.9	-175.4	173.5	79.2	-140.2	-4.3	112.6	D279 Y281 N573 F574 A580 Y614	D279-R576 WeakPolarHBondContact OD2-CD 3.39Å; D279-R576 IonicContact OD2-CZ 3.36Å; D279-R576 IonicContact OD2-NE 3.61Å; D279-R576 IonicContact OD2-NH1 2.66Å; D279-R576 PolarHBondContact OD2-NH1 2.83Å; Y281-R576 HydrophobicContact CD1-CB 4.37Å; Y281-R576 HydrophobicContact CD1-CG 4.2Å; Y281-R576 HydrophobicContact CD2-CB 3.7Å; Y281-R576 HydrophobicContact CD2-CG 3.67Å; Y281-R576 HydrophobicContact CE1-CG 3.98Å; Y281-R576 HydrophobicContact CE2-CB 4.03Å; Y281-R576 VanDerWaalsContact CE2-CD 3.41Å; Y281-R576 HydrophobicContact CE2-CG 3.44Å; Y281-R576 VanDerWaalsContact CE2-CG 3.44Å; Y281-R576 HydrophobicContact CG-CB 3.93Å; Y281-R576 HydrophobicContact CG-CG 4.08Å; N573-R576 PolarHBondContact O-N 3.42Å; N573-R576 VanDerWaalsContact OD1-CZ 3.23Å; N573-R576 PolarHBondContact OD1-NH1 3.23Å; N573-R576 PolarHBondContact OD1-NH2 3.36Å; F574-R576 VanDerWaalsContact C-N 3.29Å; F574-R576 PolarHBondContact O-N 2.86Å; R576-A580 PolarHBondContact O-N 2.68Å; R576-Y614 HydrophobicContact CG-CE1 4Å; R576-Y614 WeakPolarHBondContact CG-OH 3.24Å
577	R	90	Very high	75.7	Confident	49 Å²	49	34.7 Å²	34.7	19%	0.185	18%	0.181	C	C	.	.	H	α-helix	trans	-77.2	-34.5	176	-66.3	-173.9	67.6	72.8	-5.3	112.4	Y64 E163 N573 F574 V575 A580 Y581 Y614 F616	Y64-R577 HydrophobicContact CE1-CB 4.29Å; E163-R577 IonicContact OE1-CZ 2.74Å; E163-R577 IonicContact OE1-NE 2.84Å; E163-R577 IonicContact OE1-NH2 2.69Å; E163-R577 PolarHBondContact OE1-NH2 3.23Å; E163-R577 IonicContact OE2-CZ 2.63Å; E163-R577 VanDerWaalsContact OE2-CZ 3.24Å; E163-R577 IonicContact OE2-NE 3.54Å; E163-R577 PolarHBondContact OE2-NE 3.5Å; E163-R577 IonicContact OE2-NH2 2.7Å; E163-R577 PolarHBondContact OE2-NH2 2.9Å; N573-R577 PolarHBondContact O-N 3.31Å; N573-R577 VanDerWaalsContact O-N 3.13Å; F574-R577 CarbonylContact O-C 3.5Å; F574-R577 PolarHBondContact O-N 2.85Å; V575-R577 VanDerWaalsContact C-N 3.34Å; V575-R577 PolarHBondContact O-N 2.96Å; R577-A580 PolarHBondContact O-N 3.42Å; R577-Y581 VanDerWaalsContact O-CB 3.3Å; R577-Y581 WeakPolarHBondContact O-CB 3.34Å; R577-Y581 PolarHBondContact O-N 2.84Å; R577-Y614 HydrophobicContact CG-CD1 4.29Å; R577-Y614 PolarHBondContact NH1-O 2.98Å; R577-Y614 PolarHBondContact NH2-O 2.82Å; R577-F616 HydrophobicContact CB-CZ 4.39Å
578	L	87.9	Confident	77.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-41.9	176.3	-179.8	53.5	0	0	0	112	Y64 L165 V283 F285 F574 V575 Y581 F582	Y64-L578 HydrophobicContact CD2-CB 4.28Å; Y64-L578 HydrophobicContact CD2-CD1 3.83Å; Y64-L578 HydrophobicContact CD2-CG 4.47Å; Y64-L578 HydrophobicContact CE2-CB 4.31Å; Y64-L578 HydrophobicContact CE2-CD1 4.01Å; L165-L578 HydrophobicContact CB-CD1 4.03Å; L165-L578 HydrophobicContact CD1-CD1 3.91Å; L165-L578 HydrophobicContact CD1-CD2 4Å; L165-L578 HydrophobicContact CD2-CD1 4.18Å; L165-L578 HydrophobicContact CG-CD1 4.26Å; V283-L578 HydrophobicContact CB-CD2 4.32Å; V283-L578 HydrophobicContact CG2-CD2 3.84Å; F285-L578 HydrophobicContact CZ-CD2 4.26Å; F574-L578 VanDerWaalsContact O-CB 3.26Å; F574-L578 WeakPolarHBondContact O-CB 3.46Å; F574-L578 PolarHBondContact O-N 2.91Å; V575-L578 PolarHBondContact O-N 3.36Å; L578-Y581 HydrophobicContact CD1-CD1 4.01Å; L578-Y581 WeakPolarHBondContact O-CB 3.46Å; L578-Y581 PolarHBondContact O-N 3.45Å; L578-F582 HydrophobicContact CD1-CD2 3.78Å; L578-F582 HydrophobicContact CD1-CE2 3.53Å; L578-F582 HydrophobicContact CD1-CZ 4.4Å; L578-F582 HydrophobicContact CG-CD2 4.11Å; L578-F582 HydrophobicContact CG-CE2 4Å; L578-F582 WeakPolarHBondContact O-CD2 3.36Å; L578-F582 PolarHBondContact O-N 3.46Å
579	W	92.1	Very high	79.3	Confident	15 Å²	15	27.5 Å²	27.5	6%	0.057	15%	0.147	C	C	.	.	H	α-helix	trans	-53.2	-55.2	166.9	169.4	78.4	0	0	0	110.5	Y281 D501 A519 R521 V575 Y581 F582 T583 L610 Y614	Y281-W579 HydrophobicContact CD1-CB 3.94Å; Y281-W579 AromaticContact CD1-CD2 3.87Å; Y281-W579 HydrophobicContact CD1-CD2 3.87Å; Y281-W579 HydrophobicContact CD1-CE3 4.01Å; Y281-W579 AromaticContact CD1-CG 3.82Å; Y281-W579 HydrophobicContact CD1-CG 3.82Å; Y281-W579 AromaticContact CE1-CD2 3.7Å; Y281-W579 HydrophobicContact CE1-CD2 3.7Å; Y281-W579 AromaticContact CE1-CE3 3.48Å; Y281-W579 HydrophobicContact CE1-CE3 3.48Å; Y281-W579 VanDerWaalsContact CE1-CE3 3.48Å; Y281-W579 HydrophobicContact CE1-CG 4.17Å; Y281-W579 AromaticContact CE1-CZ3 4Å; Y281-W579 HydrophobicContact CE1-CZ3 4Å; D501-W579 HydrophobicContact CB-CZ2 3.88Å; D501-W579 PolarHBondContact O-NE1 2.64Å; A519-W579 HydrophobicContact CB-CB 4.08Å; R521-W579 HydrophobicContact CG-CD2 4.43Å; R521-W579 HydrophobicContact CG-CZ2 4.37Å; V575-W579 WeakPolarHBondContact O-CB 3.22Å; V575-W579 PolarHBondContact O-N 3.12Å; W579-Y581 VanDerWaalsContact C-N 3.29Å; W579-Y581 PolarHBondContact O-N 3.37Å; W579-F582 PolarHBondContact O-N 3.3Å; W579-F582 VanDerWaalsContact O-N 3.16Å; W579-T583 HydrophobicContact CZ2-CG2 4.4Å; W579-T583 PolarHBondContact NE1-OG1 2.88Å; W579-T583 WeakPolarHBondContact O-CB 3.43Å; W579-T583 PolarHBondContact O-N 2.84Å; W579-T583 PolarHBondContact O-OG1 2.92Å; W579-L610 HydrophobicContact CH2-CD1 4.14Å; W579-L610 HydrophobicContact CZ3-CD1 3.97Å; W579-Y614 HydrophobicContact CZ3-CE2 4.04Å
580	A	91.4	Very high	81.2	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-38.9	180	0	0	0	0	0	112.9	R576 R577 T583 I584 L610 Y614 F616	R576-A580 PolarHBondContact O-N 2.68Å; R577-A580 PolarHBondContact O-N 3.42Å; A580-T583 PolarHBondContact O-N 3.03Å; A580-I584 WeakPolarHBondContact O-CB 3.41Å; A580-I584 WeakPolarHBondContact O-CD1 3.48Å; A580-I584 WeakPolarHBondContact O-CG1 3.44Å; A580-I584 PolarHBondContact O-N 2.85Å; A580-L610 HydrophobicContact CB-CD1 4.49Å; A580-Y614 HydrophobicContact CB-CD1 4.21Å; A580-Y614 HydrophobicContact CB-CD2 3.35Å; A580-Y614 HydrophobicContact CB-CE1 4.26Å; A580-Y614 HydrophobicContact CB-CE2 3.39Å; A580-Y614 HydrophobicContact CB-CG 3.77Å; A580-F616 HydrophobicContact CB-CE2 4.35Å
581	Y	87.6	Confident	82.9	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-60.1	-45.7	175.7	169.2	-91.2	0	0	0	112.3	S92 F94 L165 R577 L578 W579 K585	S92-Y581 VanDerWaalsContact O-CE2 3.31Å; S92-Y581 WeakPolarHBondContact O-CE2 3.13Å; S92-Y581 PolarHBondContact O-OH 2.8Å; F94-Y581 HydrophobicContact CD1-CD2 4.42Å; F94-Y581 HydrophobicContact CD1-CE2 4.36Å; F94-Y581 AromaticContact CD2-CD2 3.61Å; F94-Y581 HydrophobicContact CD2-CD2 3.61Å; F94-Y581 HydrophobicContact CD2-CE2 4.32Å; F94-Y581 HydrophobicContact CE1-CD2 4.21Å; F94-Y581 HydrophobicContact CE1-CE2 4.17Å; F94-Y581 AromaticContact CE2-CD2 3.47Å; F94-Y581 HydrophobicContact CE2-CD2 3.47Å; F94-Y581 VanDerWaalsContact CE2-CD2 3.47Å; F94-Y581 HydrophobicContact CE2-CE2 4.24Å; F94-Y581 HydrophobicContact CE2-CG 4.16Å; F94-Y581 HydrophobicContact CG-CD2 4.11Å; F94-Y581 HydrophobicContact CG-CE2 4.4Å; F94-Y581 AromaticContact CZ-CD2 3.76Å; F94-Y581 HydrophobicContact CZ-CD2 3.76Å; F94-Y581 HydrophobicContact CZ-CE2 4.13Å; L165-Y581 HydrophobicContact CB-CE1 3.92Å; R577-Y581 VanDerWaalsContact O-CB 3.3Å; R577-Y581 WeakPolarHBondContact O-CB 3.34Å; R577-Y581 PolarHBondContact O-N 2.84Å; L578-Y581 HydrophobicContact CD1-CD1 4.01Å; L578-Y581 WeakPolarHBondContact O-CB 3.46Å; L578-Y581 PolarHBondContact O-N 3.45Å; W579-Y581 VanDerWaalsContact C-N 3.29Å; W579-Y581 PolarHBondContact O-N 3.37Å; Y581-K585 HydrophobicContact CE1-CD 4.21Å; Y581-K585 VanDerWaalsContact CZ-CE 3.46Å; Y581-K585 PolarHBondContact O-N 2.95Å; Y581-K585 VanDerWaalsContact O-N 3.14Å; Y581-K585 WeakPolarHBondContact OH-CE 3.47Å; Y581-K585 PolarHBondContact OH-NZ 2.92Å
582	F	86.8	Confident	84.4	Confident	3 Å²	3	16.9 Å²	16.9	1%	0.013	8%	0.083	C	C	.	.	H	α-helix	trans	-70	-44.8	174.8	-79.6	-60.9	0	0	0	113.1	L165 T503 V517 A519 L578 W579 I584 K585 E586 T875	L165-F582 HydrophobicContact CD2-CE1 4.44Å; L165-F582 HydrophobicContact CD2-CE2 3.89Å; L165-F582 HydrophobicContact CD2-CZ 3.44Å; L165-F582 VanDerWaalsContact CD2-CZ 3.44Å; T503-F582 HydrophobicContact CG2-CB 3.55Å; T503-F582 HydrophobicContact CG2-CG 4.39Å; V517-F582 HydrophobicContact CB-CE2 4.19Å; V517-F582 HydrophobicContact CB-CZ 3.94Å; V517-F582 HydrophobicContact CG1-CE2 3.7Å; V517-F582 HydrophobicContact CG1-CZ 3.95Å; A519-F582 HydrophobicContact CB-CD2 4.18Å; L578-F582 HydrophobicContact CD1-CD2 3.78Å; L578-F582 HydrophobicContact CD1-CE2 3.53Å; L578-F582 HydrophobicContact CD1-CZ 4.4Å; L578-F582 HydrophobicContact CG-CD2 4.11Å; L578-F582 HydrophobicContact CG-CE2 4Å; L578-F582 WeakPolarHBondContact O-CD2 3.36Å; L578-F582 PolarHBondContact O-N 3.46Å; W579-F582 PolarHBondContact O-N 3.3Å; W579-F582 VanDerWaalsContact O-N 3.16Å; F582-I584 VanDerWaalsContact C-N 3.28Å; F582-I584 PolarHBondContact O-N 3.27Å; F582-K585 WeakPolarHBondContact O-CA 3.49Å; F582-K585 WeakPolarHBondContact O-CB 3.42Å; F582-K585 PolarHBondContact O-N 2.98Å; F582-E586 PolarHBondContact O-N 2.92Å; F582-T875 WeakPolarHBondContact CZ-OG1 3.48Å
583	T	89.9	Confident	85.6	Confident	7 Å²	7	14.5 Å²	14.5	4%	0.043	7%	0.066	C	C	.	.	H	α-helix	trans	-59	-39.7	177.3	-54.1	0	0	0	0	111.4	W579 A580 E586 L587 L610 F860	W579-T583 HydrophobicContact CZ2-CG2 4.4Å; W579-T583 PolarHBondContact NE1-OG1 2.88Å; W579-T583 WeakPolarHBondContact O-CB 3.43Å; W579-T583 PolarHBondContact O-N 2.84Å; W579-T583 PolarHBondContact O-OG1 2.92Å; A580-T583 PolarHBondContact O-N 3.03Å; T583-E586 PolarHBondContact O-N 3.26Å; T583-L587 HydrophobicContact CG2-CD1 4.1Å; T583-L587 WeakPolarHBondContact O-CD1 3.45Å; T583-L587 WeakPolarHBondContact O-CG 3.48Å; T583-L587 PolarHBondContact O-N 2.81Å; T583-L610 HydrophobicContact CG2-CD2 3.42Å; T583-L610 VanDerWaalsContact CG2-CD2 3.42Å; T583-F860 HydrophobicContact CG2-CD2 4.07Å; T583-F860 HydrophobicContact CG2-CE2 3.64Å; T583-F860 HydrophobicContact CG2-CZ 4.28Å
584	I	89	Confident	86.1	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.2	-44.9	172.5	-71.1	164.6	0	0	0	111.2	F94 A580 F582 E586 L587 L588 L610 F616 T618 L880	F94-I584 HydrophobicContact CE2-CB 4.36Å; F94-I584 HydrophobicContact CE2-CD1 4.18Å; F94-I584 HydrophobicContact CE2-CG2 4.14Å; F94-I584 HydrophobicContact CZ-CB 4.46Å; F94-I584 HydrophobicContact CZ-CG2 3.94Å; A580-I584 WeakPolarHBondContact O-CB 3.41Å; A580-I584 WeakPolarHBondContact O-CD1 3.48Å; A580-I584 WeakPolarHBondContact O-CG1 3.44Å; A580-I584 PolarHBondContact O-N 2.85Å; F582-I584 VanDerWaalsContact C-N 3.28Å; F582-I584 PolarHBondContact O-N 3.27Å; I584-E586 PolarHBondContact O-N 3.27Å; I584-L587 PolarHBondContact O-N 3.45Å; I584-L588 HydrophobicContact CG2-CD1 3.77Å; I584-L588 WeakPolarHBondContact O-CD1 3.35Å; I584-L588 VanDerWaalsContact O-CG 3.32Å; I584-L588 WeakPolarHBondContact O-CG 3.4Å; I584-L588 PolarHBondContact O-N 2.94Å; I584-L588 VanDerWaalsContact O-N 3.16Å; I584-L610 HydrophobicContact CD1-CB 4.47Å; I584-L610 HydrophobicContact CD1-CG 4.19Å; I584-L610 HydrophobicContact CG1-CB 4.06Å; I584-L610 HydrophobicContact CG1-CD2 3.85Å; I584-L610 HydrophobicContact CG1-CG 3.87Å; I584-F616 HydrophobicContact CD1-CD2 3.75Å; I584-F616 HydrophobicContact CD1-CE2 4.49Å; I584-T618 HydrophobicContact CG2-CG2 3.97Å; I584-L880 HydrophobicContact CG2-CD2 4.18Å
585	K	83.5	Confident	86	Confident	15 Å²	15	17.7 Å²	17.7	7%	0.065	9%	0.089	C	C	.	.	H	α-helix	trans	-55	-51	175.3	-83.6	-174.4	178.1	-166.9	0	111.5	Y581 F582 L588 L589 L880	Y581-K585 HydrophobicContact CE1-CD 4.21Å; Y581-K585 VanDerWaalsContact CZ-CE 3.46Å; Y581-K585 PolarHBondContact O-N 2.95Å; Y581-K585 VanDerWaalsContact O-N 3.14Å; Y581-K585 WeakPolarHBondContact OH-CE 3.47Å; Y581-K585 PolarHBondContact OH-NZ 2.92Å; F582-K585 WeakPolarHBondContact O-CA 3.49Å; F582-K585 WeakPolarHBondContact O-CB 3.42Å; F582-K585 PolarHBondContact O-N 2.98Å; K585-L588 PolarHBondContact O-N 2.93Å; K585-L589 VanDerWaalsContact O-CG 3.32Å; K585-L589 WeakPolarHBondContact O-CG 3.15Å; K585-L589 PolarHBondContact O-N 2.86Å; K585-L880 HydrophobicContact CD-CD1 4.04Å; K585-L880 VanDerWaalsContact CE-CD1 3.48Å; K585-L880 HydrophobicContact CG-CD1 3.39Å; K585-L880 HydrophobicContact CG-CG 4.33Å
586	E	85.1	Confident	85.9	Confident	15 Å²	15	21 Å²	21	7%	0.07	11%	0.107	C	C	.	.	H	α-helix	trans	-65.4	-39.8	-177.6	-79.6	168.5	-127.6	0	0	113	T503 H504 F582 T583 I584 L588 L589 G590 F860	T503-E586 WeakPolarHBondContact CB-OE1 3.31Å; T503-E586 WeakPolarHBondContact CG2-OE1 3.39Å; H504-E586 IonicContact CE1-OE1 2.66Å; H504-E586 IonicContact CG-OE1 3.74Å; H504-E586 PolarHBondContact N-OE1 2.7Å; H504-E586 PolarHBondContact N-OE2 2.65Å; H504-E586 IonicContact ND1-OE1 2.74Å; H504-E586 PolarHBondContact ND1-OE1 2.92Å; H504-E586 IonicContact ND1-OE2 2.93Å; F582-E586 PolarHBondContact O-N 2.92Å; T583-E586 PolarHBondContact O-N 3.26Å; I584-E586 PolarHBondContact O-N 3.27Å; E586-L588 VanDerWaalsContact C-N 3.29Å; E586-L588 PolarHBondContact O-N 2.84Å; E586-L589 PolarHBondContact O-N 3Å; E586-G590 PolarHBondContact O-N 2.89Å; E586-F860 HydrophobicContact CB-CZ 3.98Å; E586-F860 WeakPolarHBondContact OE2-CZ 3.44Å
587	L	87.4	Confident	85.7	Confident	6 Å²	6	21.2 Å²	21.2	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-36.7	175.3	-69.8	165.9	0	0	0	112.3	T583 I584 K591 L603 K606 A607 L610 F860	T583-L587 HydrophobicContact CG2-CD1 4.1Å; T583-L587 WeakPolarHBondContact O-CD1 3.45Å; T583-L587 WeakPolarHBondContact O-CG 3.48Å; T583-L587 PolarHBondContact O-N 2.81Å; I584-L587 PolarHBondContact O-N 3.45Å; L587-K591 PolarHBondContact O-N 3.49Å; L587-L603 HydrophobicContact CD2-CD2 3.66Å; L587-K606 HydrophobicContact CD1-CB 3.94Å; L587-K606 HydrophobicContact CD2-CB 3.96Å; L587-K606 HydrophobicContact CD2-CD 4.4Å; L587-A607 HydrophobicContact CB-CB 3.99Å; L587-A607 HydrophobicContact CD1-CB 4.42Å; L587-L610 HydrophobicContact CD1-CD2 4.39Å; L587-F860 HydrophobicContact CD2-CE2 4.26Å; L587-F860 HydrophobicContact CG-CE2 4.26Å
588	L	84.6	Confident	85.5	Confident	7 Å²	7	21.9 Å²	21.9	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-78.4	-34.9	179.7	-66.8	167.7	0	0	0	113	I584 K585 E586 G590 K591 L592 A607 P619 V620 L880	I584-L588 HydrophobicContact CG2-CD1 3.77Å; I584-L588 WeakPolarHBondContact O-CD1 3.35Å; I584-L588 VanDerWaalsContact O-CG 3.32Å; I584-L588 WeakPolarHBondContact O-CG 3.4Å; I584-L588 PolarHBondContact O-N 2.94Å; I584-L588 VanDerWaalsContact O-N 3.16Å; K585-L588 PolarHBondContact O-N 2.93Å; E586-L588 VanDerWaalsContact C-N 3.29Å; E586-L588 PolarHBondContact O-N 2.84Å; L588-G590 VanDerWaalsContact C-N 3.33Å; L588-K591 PolarHBondContact O-N 3.37Å; L588-L592 PolarHBondContact O-N 3.09Å; L588-A607 HydrophobicContact CD2-CB 3.97Å; L588-A607 HydrophobicContact CG-CB 4.13Å; L588-P619 HydrophobicContact CD1-CG 4.06Å; L588-V620 HydrophobicContact CD2-CG1 4.11Å; L588-L880 HydrophobicContact CD1-CD2 3.47Å; L588-L880 VanDerWaalsContact CD1-CD2 3.47Å; L588-L880 HydrophobicContact CD1-CG 4.09Å
589	L	81.2	Confident	85.5	Confident	16 Å²	16	24 Å²	24	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-66.4	-39.2	168.4	-66.1	169.7	0	0	0	111	L456 K585 E586 L592 N593 F868 P878	L456-L589 HydrophobicContact CD1-CD2 4.13Å; L456-L589 HydrophobicContact CD2-CD2 4.38Å; K585-L589 VanDerWaalsContact O-CG 3.32Å; K585-L589 WeakPolarHBondContact O-CG 3.15Å; K585-L589 PolarHBondContact O-N 2.86Å; E586-L589 PolarHBondContact O-N 3Å; L589-L592 PolarHBondContact O-N 2.83Å; L589-N593 PolarHBondContact O-N 2.94Å; L589-N593 VanDerWaalsContact O-N 3.11Å; L589-F868 HydrophobicContact CB-CD1 4.39Å; L589-F868 HydrophobicContact CB-CE1 4.34Å; L589-F868 WeakPolarHBondContact O-CE1 3.41Å; L589-P878 HydrophobicContact CD2-CG 3.85Å
590	G	83.5	Confident	85.2	Confident	2 Å²	2	24.6 Å²	24.6	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-52.3	-53.1	170.1	0	0	0	0	0	111.7	E586 L588 L592 N593 A594 L603	E586-G590 PolarHBondContact O-N 2.89Å; L588-G590 VanDerWaalsContact C-N 3.33Å; G590-L592 VanDerWaalsContact C-N 3.28Å; G590-L592 PolarHBondContact O-N 2.97Å; G590-N593 PolarHBondContact O-N 2.94Å; G590-A594 WeakPolarHBondContact O-CB 3.48Å; G590-A594 PolarHBondContact O-N 2.81Å; G590-L603 VanDerWaalsContact C-CD1 3.47Å
591	K	84.8	Confident	85.1	Confident	16 Å²	16	30.5 Å²	30.5	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-56.6	-40.5	176.7	-171	-164.5	175.4	-168.5	0	112.5	L587 L588 Q600 L603 A604 L886	L587-K591 PolarHBondContact O-N 3.49Å; L588-K591 PolarHBondContact O-N 3.37Å; K591-Q600 HydrophobicContact CG-CB 4.03Å; K591-Q600 HydrophobicContact CG-CG 4.21Å; K591-L603 HydrophobicContact CB-CB 4.28Å; K591-A604 HydrophobicContact CD-CB 4.13Å; K591-L886 PolarHBondContact NZ-O 2.89Å
592	L	82.1	Confident	85.3	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-69.9	-29.8	-178.7	177.5	62.2	0	0	0	113.5	L449 R452 R453 L456 L588 L589 G590 A883 L886	L449-L592 HydrophobicContact CD1-CD1 3.66Å; R452-L592 VanDerWaalsContact CD-CD2 3.42Å; R452-L592 HydrophobicContact CG-CD2 3.83Å; R453-L592 HydrophobicContact CG-CD1 4.06Å; R453-L592 HydrophobicContact CG-CG 4.07Å; L456-L592 HydrophobicContact CD1-CD2 4.11Å; L588-L592 PolarHBondContact O-N 3.09Å; L589-L592 PolarHBondContact O-N 2.83Å; G590-L592 VanDerWaalsContact C-N 3.28Å; G590-L592 PolarHBondContact O-N 2.97Å; L592-A883 HydrophobicContact CB-CB 4.46Å; L592-L886 HydrophobicContact CD1-CD1 4.31Å
593	N	79.1	Confident	85.4	Confident	16 Å²	16	33.6 Å²	33.6	9%	0.086	19%	0.189	C	C	.	.	H	α-helix	trans	-91.3	-27.5	-179.6	-169.8	18.8	0	0	0	112.4	E457 L589 G590 T595 T867 F868	E457-N593 VanDerWaalsContact CG-OD1 3.29Å; E457-N593 WeakPolarHBondContact CG-OD1 3.33Å; L589-N593 PolarHBondContact O-N 2.94Å; L589-N593 VanDerWaalsContact O-N 3.11Å; G590-N593 PolarHBondContact O-N 2.94Å; N593-T595 PolarHBondContact O-N 2.9Å; N593-T867 PolarHBondContact ND2-O 3.49Å; N593-T867 PolarHBondContact ND2-OG1 3.44Å; N593-T867 VanDerWaalsContact ND2-OG1 3.12Å; N593-F868 HydrophobicContact CB-CE1 3.52Å; N593-F868 HydrophobicContact CB-CZ 3.7Å; N593-F868 VanDerWaalsContact ND2-CE1 3.35Å; N593-F868 WeakPolarHBondContact ND2-CE1 3.38Å; N593-F868 VanDerWaalsContact ND2-CZ 3.33Å; N593-F868 WeakPolarHBondContact ND2-CZ 3.2Å
594	A	82.8	Confident	85.3	Confident	19 Å²	19	34 Å²	34	16%	0.157	19%	0.192	C	C	.	.			trans	-64.7	124	176.1	0	0	0	0	0	111.6	G590 T599 Q600 L603	G590-A594 WeakPolarHBondContact O-CB 3.48Å; G590-A594 PolarHBondContact O-N 2.81Å; A594-T599 HydrophobicContact CB-CG2 3.84Å; A594-Q600 HydrophobicContact CB-CG 4.02Å; A594-Q600 WeakPolarHBondContact O-CG 3.21Å; A594-Q600 PolarHBondContact O-NE2 2.86Å; A594-L603 HydrophobicContact CB-CD1 4.4Å
595	T	78.9	Confident	85.4	Confident	107 Å²	107	38.2 Å²	38.2	66%	0.656	22%	0.215	S	C	*	.			trans	-86.7	-21.6	174.4	50	0	0	0	0	113.4	N593 P597	N593-T595 PolarHBondContact O-N 2.9Å; T595-P597 WeakPolarHBondContact O-CD 3.36Å
596	D	85.6	Confident	85.8	Confident	71 Å²	71	40.5 Å²	40.5	38%	0.38	23%	0.225	S	C	.	.	S	Bend	trans	-80.6	122.3	177.6	162.2	42.9	0	0	0	111.8	A598 T599 Q600	D596-A598 VanDerWaalsContact C-N 3.27Å; D596-A598 PolarHBondContact O-N 3.48Å; D596-A598 PolarHBondContact OD1-N 2.68Å; D596-T599 PolarHBondContact O-N 3.38Å; D596-T599 WeakPolarHBondContact OD2-CB 3.33Å; D596-T599 PolarHBondContact OD2-N 2.88Å; D596-T599 PolarHBondContact OD2-OG1 2.85Å; D596-Q600 WeakPolarHBondContact O-CG 3.4Å; D596-Q600 PolarHBondContact O-N 2.94Å
597	P	86.4	Confident	86.1	Confident	76 Å²	76	39.8 Å²	39.8	49%	0.494	22%	0.222	S	C	.	.	H	α-helix	trans	-59.3	-29.2	176.9	-25.5	35.6	0	0	0	115	T595 R601	T595-P597 WeakPolarHBondContact O-CD 3.36Å; P597-R601 VanDerWaalsContact O-CG 3.27Å; P597-R601 WeakPolarHBondContact O-CG 3.44Å; P597-R601 PolarHBondContact O-N 2.78Å
598	A	86.7	Confident	86.3	Confident	62 Å²	62	40.4 Å²	40.4	51%	0.512	23%	0.226	S	C	.	.	H	α-helix	trans	-71.1	-44.8	178.5	0	0	0	0	0	111.2	D596 R601 L602	D596-A598 VanDerWaalsContact C-N 3.27Å; D596-A598 PolarHBondContact O-N 3.48Å; D596-A598 PolarHBondContact OD1-N 2.68Å; A598-R601 PolarHBondContact O-N 3.17Å; A598-L602 PolarHBondContact O-N 2.71Å
599	T	88.1	Confident	86.8	Confident	46 Å²	46	45.2 Å²	45.2	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-42.5	172.3	-60.4	0	0	0	0	111.4	A594 D596 R601 L602 L603	A594-T599 HydrophobicContact CB-CG2 3.84Å; D596-T599 PolarHBondContact O-N 3.38Å; D596-T599 WeakPolarHBondContact OD2-CB 3.33Å; D596-T599 PolarHBondContact OD2-N 2.88Å; D596-T599 PolarHBondContact OD2-OG1 2.85Å; T599-R601 VanDerWaalsContact C-N 3.33Å; T599-R601 PolarHBondContact O-N 3.28Å; T599-L602 PolarHBondContact O-N 2.94Å; T599-L603 HydrophobicContact CG2-CD1 3.81Å; T599-L603 HydrophobicContact CG2-CG 4.36Å; T599-L603 WeakPolarHBondContact O-CB 3.31Å; T599-L603 VanDerWaalsContact O-CG 3.27Å; T599-L603 WeakPolarHBondContact O-CG 3.32Å; T599-L603 PolarHBondContact O-N 3.46Å
600	Q	85.5	Confident	87.4	Confident	26 Å²	26	45.4 Å²	45.4	12%	0.121	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-42.6	173.9	-73.3	-174.3	1	0	0	112.7	K591 A594 D596 A604	K591-Q600 HydrophobicContact CG-CB 4.03Å; K591-Q600 HydrophobicContact CG-CG 4.21Å; A594-Q600 HydrophobicContact CB-CG 4.02Å; A594-Q600 WeakPolarHBondContact O-CG 3.21Å; A594-Q600 PolarHBondContact O-NE2 2.86Å; D596-Q600 WeakPolarHBondContact O-CG 3.4Å; D596-Q600 PolarHBondContact O-N 2.94Å; Q600-A604 WeakPolarHBondContact O-CB 3.34Å; Q600-A604 PolarHBondContact O-N 3.03Å
601	R	88.4	Confident	87.8	Confident	124 Å²	124	45.3 Å²	45.3	47%	0.468	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-52.2	175.8	-74.4	167.9	177.5	-179.1	-2	111	P597 A598 T599 L603 A604 D605	P597-R601 VanDerWaalsContact O-CG 3.27Å; P597-R601 WeakPolarHBondContact O-CG 3.44Å; P597-R601 PolarHBondContact O-N 2.78Å; A598-R601 PolarHBondContact O-N 3.17Å; T599-R601 VanDerWaalsContact C-N 3.33Å; T599-R601 PolarHBondContact O-N 3.28Å; R601-L603 VanDerWaalsContact C-N 3.28Å; R601-L603 PolarHBondContact O-N 2.92Å; R601-A604 CarbonylContact O-C 3.51Å; R601-A604 WeakPolarHBondContact O-CA 3.42Å; R601-A604 WeakPolarHBondContact O-CB 3.27Å; R601-A604 PolarHBondContact O-N 3.02Å; R601-D605 VanDerWaalsContact O-CG 3.28Å; R601-D605 PolarHBondContact O-N 2.93Å
602	L	90.9	Very high	88.2	Confident	69 Å²	69	47.3 Å²	47.3	36%	0.361	26%	0.263	S	S	.	.	H	α-helix	trans	-55.2	-41	178.7	179.6	62.9	0	0	0	113	A598 T599 K606 L863	A598-L602 PolarHBondContact O-N 2.71Å; T599-L602 PolarHBondContact O-N 2.94Å; L602-K606 WeakPolarHBondContact O-CB 3.48Å; L602-K606 WeakPolarHBondContact O-CG 3.19Å; L602-K606 PolarHBondContact O-N 3.35Å; L602-L863 HydrophobicContact CD2-CD1 4.19Å; L602-L863 HydrophobicContact CD2-CD2 4.17Å
603	L	88.9	Confident	88.7	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-71.5	-38.1	177.3	-68.1	171.6	0	0	0	112.1	L587 G590 K591 A594 T599 R601 A607 L863	L587-L603 HydrophobicContact CD2-CD2 3.66Å; G590-L603 VanDerWaalsContact C-CD1 3.47Å; K591-L603 HydrophobicContact CB-CB 4.28Å; A594-L603 HydrophobicContact CB-CD1 4.4Å; T599-L603 HydrophobicContact CG2-CD1 3.81Å; T599-L603 HydrophobicContact CG2-CG 4.36Å; T599-L603 WeakPolarHBondContact O-CB 3.31Å; T599-L603 VanDerWaalsContact O-CG 3.27Å; T599-L603 WeakPolarHBondContact O-CG 3.32Å; T599-L603 PolarHBondContact O-N 3.46Å; R601-L603 VanDerWaalsContact C-N 3.28Å; R601-L603 PolarHBondContact O-N 2.92Å; L603-A607 WeakPolarHBondContact O-CB 3.3Å; L603-A607 PolarHBondContact O-N 3.39Å; L603-L863 HydrophobicContact CD2-CB 4.48Å
604	A	88.1	Confident	89.3	Confident	14 Å²	14	53.6 Å²	53.6	12%	0.116	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-40.7	172.6	0	0	0	0	0	112.3	K591 Q600 R601 A607 T608 V620	K591-A604 HydrophobicContact CD-CB 4.13Å; Q600-A604 WeakPolarHBondContact O-CB 3.34Å; Q600-A604 PolarHBondContact O-N 3.03Å; R601-A604 CarbonylContact O-C 3.51Å; R601-A604 WeakPolarHBondContact O-CA 3.42Å; R601-A604 WeakPolarHBondContact O-CB 3.27Å; R601-A604 PolarHBondContact O-N 3.02Å; A604-A607 PolarHBondContact O-N 3.19Å; A604-T608 WeakPolarHBondContact O-CB 3.5Å; A604-T608 PolarHBondContact O-N 2.78Å; A604-T608 PolarHBondContact O-OG1 3.3Å; A604-V620 HydrophobicContact CB-CG1 4.42Å
605	D	91.8	Very high	89.7	Confident	90 Å²	90	57 Å²	57	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-69	-44	179.2	-65.3	-29.1	0	0	0	111.4	R601 A607 T608 N609	R601-D605 VanDerWaalsContact O-CG 3.28Å; R601-D605 PolarHBondContact O-N 2.93Å; D605-A607 VanDerWaalsContact C-N 3.34Å; D605-A607 PolarHBondContact O-N 3.39Å; D605-T608 PolarHBondContact O-N 3.48Å; D605-N609 WeakPolarHBondContact O-CB 3.47Å; D605-N609 PolarHBondContact O-N 3.27Å; D605-N609 PolarHBondContact O-ND2 3.21Å
606	K	91.9	Very high	90.2	Very high	63 Å²	63	51.9 Å²	51.9	27%	0.274	27%	0.273	S	S	.	.	H	α-helix	trans	-59.5	-44.1	172.3	-76.2	-174.4	175.5	-170.4	0	111.3	L587 L602 L610 L858 L863	L587-K606 HydrophobicContact CD1-CB 3.94Å; L587-K606 HydrophobicContact CD2-CB 3.96Å; L587-K606 HydrophobicContact CD2-CD 4.4Å; L602-K606 WeakPolarHBondContact O-CB 3.48Å; L602-K606 WeakPolarHBondContact O-CG 3.19Å; L602-K606 PolarHBondContact O-N 3.35Å; K606-L610 WeakPolarHBondContact O-CB 3.23Å; K606-L610 PolarHBondContact O-N 2.79Å; K606-L610 VanDerWaalsContact O-N 3.15Å; K606-L858 PolarHBondContact NZ-O 3.05Å; K606-L858 VanDerWaalsContact NZ-O 3.15Å; K606-L863 HydrophobicContact CD-CD1 4.41Å
607	A	90.9	Very high	90.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-45.9	175.5	0	0	0	0	0	111.6	L587 L588 L603 A604 D605 N609 L610 S611 V620	L587-A607 HydrophobicContact CB-CB 3.99Å; L587-A607 HydrophobicContact CD1-CB 4.42Å; L588-A607 HydrophobicContact CD2-CB 3.97Å; L588-A607 HydrophobicContact CG-CB 4.13Å; L603-A607 WeakPolarHBondContact O-CB 3.3Å; L603-A607 PolarHBondContact O-N 3.39Å; A604-A607 PolarHBondContact O-N 3.19Å; D605-A607 VanDerWaalsContact C-N 3.34Å; D605-A607 PolarHBondContact O-N 3.39Å; A607-N609 PolarHBondContact O-N 2.97Å; A607-L610 PolarHBondContact O-N 2.92Å; A607-S611 WeakPolarHBondContact O-CB 3.37Å; A607-S611 PolarHBondContact O-N 3.17Å; A607-S611 PolarHBondContact O-OG 3.14Å; A607-V620 HydrophobicContact CB-CG2 4.21Å
608	T	91.9	Very high	90.2	Very high	18 Å²	18	44.9 Å²	44.9	11%	0.11	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-49.7	-179.4	-57	0	0	0	0	111.5	E113 A604 D605 L610 S611 L612 V620 T621	E113-T608 HydrophobicContact CB-CG2 4.08Å; E113-T608 HydrophobicContact CG-CG2 4.06Å; A604-T608 WeakPolarHBondContact O-CB 3.5Å; A604-T608 PolarHBondContact O-N 2.78Å; A604-T608 PolarHBondContact O-OG1 3.3Å; D605-T608 PolarHBondContact O-N 3.48Å; T608-L610 VanDerWaalsContact C-N 3.31Å; T608-L610 PolarHBondContact O-N 2.87Å; T608-S611 PolarHBondContact O-N 3.36Å; T608-L612 HydrophobicContact CG2-CD1 3.98Å; T608-L612 HydrophobicContact CG2-CG 4.43Å; T608-L612 WeakPolarHBondContact O-CB 3.17Å; T608-L612 VanDerWaalsContact O-CG 3.26Å; T608-L612 WeakPolarHBondContact O-CG 3.24Å; T608-L612 PolarHBondContact O-N 3.17Å; T608-V620 VanDerWaalsContact OG1-CB 3.31Å; T608-V620 WeakPolarHBondContact OG1-CB 3.33Å; T608-V620 WeakPolarHBondContact OG1-CG2 3.08Å; T608-T621 HydrophobicContact CG2-CG2 4.36Å
609	N	95	Very high	89.9	Confident	109 Å²	109	42.1 Å²	42.1	58%	0.583	21%	0.208	S	C	*	.	H	α-helix	trans	-61.3	-39.5	179.2	-74.9	-46.7	0	0	0	112.2	D605 A607 K613	D605-N609 WeakPolarHBondContact O-CB 3.47Å; D605-N609 PolarHBondContact O-N 3.27Å; D605-N609 PolarHBondContact O-ND2 3.21Å; A607-N609 PolarHBondContact O-N 2.97Å; N609-K613 WeakPolarHBondContact O-CB 3.2Å; N609-K613 PolarHBondContact O-N 2.82Å
610	L	93.5	Very high	89.7	Confident	20 Å²	20	40.3 Å²	40.3	11%	0.105	20%	0.197	C	C	.	.	H	α-helix	trans	-71.4	-42	178.3	-166.3	57.8	0	0	0	112	W579 A580 T583 I584 L587 K606 A607 T608 K613 Y614	W579-L610 HydrophobicContact CH2-CD1 4.14Å; W579-L610 HydrophobicContact CZ3-CD1 3.97Å; A580-L610 HydrophobicContact CB-CD1 4.49Å; T583-L610 HydrophobicContact CG2-CD2 3.42Å; T583-L610 VanDerWaalsContact CG2-CD2 3.42Å; I584-L610 HydrophobicContact CD1-CB 4.47Å; I584-L610 HydrophobicContact CD1-CG 4.19Å; I584-L610 HydrophobicContact CG1-CB 4.06Å; I584-L610 HydrophobicContact CG1-CD2 3.85Å; I584-L610 HydrophobicContact CG1-CG 3.87Å; L587-L610 HydrophobicContact CD1-CD2 4.39Å; K606-L610 WeakPolarHBondContact O-CB 3.23Å; K606-L610 PolarHBondContact O-N 2.79Å; K606-L610 VanDerWaalsContact O-N 3.15Å; A607-L610 PolarHBondContact O-N 2.92Å; T608-L610 VanDerWaalsContact C-N 3.31Å; T608-L610 PolarHBondContact O-N 2.87Å; L610-K613 PolarHBondContact O-N 2.98Å; L610-Y614 HydrophobicContact CD1-CD2 3.78Å; L610-Y614 HydrophobicContact CD1-CE2 3.59Å; L610-Y614 HydrophobicContact CG-CD2 4.34Å; L610-Y614 WeakPolarHBondContact O-CD2 3.21Å; L610-Y614 PolarHBondContact O-N 2.94Å; L610-Y614 VanDerWaalsContact O-N 3.15Å
611	S	92.2	Very high	89.8	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-44.7	173.8	-62.4	0	0	0	0	112.2	A607 T608 Y614 N615 F616 T618	A607-S611 WeakPolarHBondContact O-CB 3.37Å; A607-S611 PolarHBondContact O-N 3.17Å; A607-S611 PolarHBondContact O-OG 3.14Å; T608-S611 PolarHBondContact O-N 3.36Å; S611-Y614 PolarHBondContact O-N 3.16Å; S611-N615 CarbonylContact O-C 3.48Å; S611-N615 PolarHBondContact O-N 2.87Å; S611-F616 PolarHBondContact O-N 2.72Å; S611-T618 WeakPolarHBondContact CB-OG1 3.44Å; S611-T618 WeakPolarHBondContact OG-CG2 3.39Å; S611-T618 PolarHBondContact OG-OG1 3.02Å
612	L	93.2	Very high	89.6	Confident	57 Å²	57	33.2 Å²	33.2	30%	0.298	17%	0.169	S	C	.	.	H	α-helix	trans	-62.1	-46.6	175	-71.2	172.1	0	0	0	111.7	V111 T608 Y614 N615 T621	V111-L612 HydrophobicContact CG1-CD2 4.25Å; T608-L612 HydrophobicContact CG2-CD1 3.98Å; T608-L612 HydrophobicContact CG2-CG 4.43Å; T608-L612 WeakPolarHBondContact O-CB 3.17Å; T608-L612 VanDerWaalsContact O-CG 3.26Å; T608-L612 WeakPolarHBondContact O-CG 3.24Å; T608-L612 PolarHBondContact O-N 3.17Å; L612-Y614 PolarHBondContact O-N 2.89Å; L612-N615 PolarHBondContact O-N 2.86Å; L612-T621 HydrophobicContact CD2-CG2 4.04Å; L612-T621 HydrophobicContact CG-CG2 4.04Å
613	K	93.8	Very high	89.2	Confident	139 Å²	139	29.9 Å²	29.9	60%	0.604	15%	0.152	S	C	*	.	H	α-helix	trans	-57.2	-35.8	179.2	178.1	175.6	176.3	176.6	0	113.2	N609 L610	N609-K613 WeakPolarHBondContact O-CB 3.2Å; N609-K613 PolarHBondContact O-N 2.82Å; L610-K613 PolarHBondContact O-N 2.98Å
614	Y	90.4	Very high	88.9	Confident	14 Å²	14	30.1 Å²	30.1	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-100.5	4.6	-178.8	-73.6	-77.6	0	0	0	114.6	R576 R577 W579 A580 L610 S611 L612 F616	R576-Y614 HydrophobicContact CG-CE1 4Å; R576-Y614 WeakPolarHBondContact CG-OH 3.24Å; R577-Y614 HydrophobicContact CG-CD1 4.29Å; R577-Y614 PolarHBondContact NH1-O 2.98Å; R577-Y614 PolarHBondContact NH2-O 2.82Å; W579-Y614 HydrophobicContact CZ3-CE2 4.04Å; A580-Y614 HydrophobicContact CB-CD1 4.21Å; A580-Y614 HydrophobicContact CB-CD2 3.35Å; A580-Y614 HydrophobicContact CB-CE1 4.26Å; A580-Y614 HydrophobicContact CB-CE2 3.39Å; A580-Y614 HydrophobicContact CB-CG 3.77Å; L610-Y614 HydrophobicContact CD1-CD2 3.78Å; L610-Y614 HydrophobicContact CD1-CE2 3.59Å; L610-Y614 HydrophobicContact CG-CD2 4.34Å; L610-Y614 WeakPolarHBondContact O-CD2 3.21Å; L610-Y614 PolarHBondContact O-N 2.94Å; L610-Y614 VanDerWaalsContact O-N 3.15Å; S611-Y614 PolarHBondContact O-N 3.16Å; L612-Y614 PolarHBondContact O-N 2.89Å; Y614-F616 VanDerWaalsContact C-N 3.26Å; Y614-F616 HydrophobicContact CG-CE2 4.38Å; Y614-F616 PolarHBondContact O-N 3.31Å
615	N	91.1	Very high	88.6	Confident	89 Å²	89	29.9 Å²	29.9	48%	0.476	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	33.4	-173.6	-64	-74.2	0	0	0	114.1	S96 V111 S611 L612	S96-N615 WeakPolarHBondContact CA-O 3.17Å; V111-N615 HydrophobicContact CG2-CB 4.34Å; V111-N615 WeakPolarHBondContact CG2-O 3.49Å; S611-N615 CarbonylContact O-C 3.48Å; S611-N615 PolarHBondContact O-N 2.87Å; L612-N615 PolarHBondContact O-N 2.86Å
616	F	89.8	Confident	88	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.			trans	-85.9	131.3	175.3	-68.3	-51.3	0	0	0	111.8	F94 E163 R577 A580 I584 S611 Y614 T618 T621	F94-F616 HydrophobicContact CB-CB 4.27Å; F94-F616 HydrophobicContact CB-CD1 3.48Å; F94-F616 VanDerWaalsContact CB-CD1 3.48Å; F94-F616 HydrophobicContact CB-CE1 3.98Å; F94-F616 HydrophobicContact CB-CG 4.1Å; F94-F616 HydrophobicContact CD2-CB 3.71Å; F94-F616 AromaticContact CD2-CD1 3.5Å; F94-F616 HydrophobicContact CD2-CD1 3.5Å; F94-F616 VanDerWaalsContact CD2-CD1 3.5Å; F94-F616 AromaticContact CD2-CD2 3.65Å; F94-F616 HydrophobicContact CD2-CD2 3.65Å; F94-F616 AromaticContact CD2-CE1 3.85Å; F94-F616 HydrophobicContact CD2-CE1 3.85Å; F94-F616 HydrophobicContact CD2-CE2 4Å; F94-F616 AromaticContact CD2-CG 3.37Å; F94-F616 HydrophobicContact CD2-CG 3.37Å; F94-F616 HydrophobicContact CD2-CZ 4.1Å; F94-F616 HydrophobicContact CE2-CB 4.38Å; F94-F616 HydrophobicContact CE2-CD2 4.07Å; F94-F616 HydrophobicContact CE2-CE2 4.43Å; F94-F616 HydrophobicContact CE2-CG 4.17Å; F94-F616 HydrophobicContact CG-CB 4.22Å; F94-F616 AromaticContact CG-CD1 3.96Å; F94-F616 HydrophobicContact CG-CD1 3.96Å; F94-F616 HydrophobicContact CG-CE1 4.43Å; F94-F616 HydrophobicContact CG-CG 4.13Å; E163-F616 HydrophobicContact CB-CE1 4.35Å; R577-F616 HydrophobicContact CB-CZ 4.39Å; A580-F616 HydrophobicContact CB-CE2 4.35Å; I584-F616 HydrophobicContact CD1-CD2 3.75Å; I584-F616 HydrophobicContact CD1-CE2 4.49Å; S611-F616 PolarHBondContact O-N 2.72Å; Y614-F616 VanDerWaalsContact C-N 3.26Å; Y614-F616 HydrophobicContact CG-CE2 4.38Å; Y614-F616 PolarHBondContact O-N 3.31Å; F616-T618 HydrophobicContact CB-CG2 3.8Å; F616-T621 PolarHBondContact O-OG1 2.73Å
617	V	87.2	Confident	86.9	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.142	C	C	.	.			trans	-77.9	125.2	161.6	-166.3	0	0	0	0	107.9	I95 V111 T621 L623 W881	I95-V617 HydrophobicContact CB-CB 4.02Å; I95-V617 HydrophobicContact CB-CG2 3.78Å; I95-V617 HydrophobicContact CD1-CB 4.37Å; I95-V617 HydrophobicContact CG2-CG2 4.01Å; I95-V617 PolarHBondContact O-N 3.39Å; V111-V617 HydrophobicContact CG2-CG2 4.12Å; V617-T621 WeakPolarHBondContact CA-OG1 3.48Å; V617-L623 HydrophobicContact CG2-CB 3.53Å; V617-L623 HydrophobicContact CG2-CD1 4.1Å; V617-L623 HydrophobicContact CG2-CG 4.47Å; V617-W881 VanDerWaalsContact C-CH2 3.46Å; V617-W881 HydrophobicContact CB-CH2 4.42Å; V617-W881 HydrophobicContact CG1-CH2 4.06Å; V617-W881 VanDerWaalsContact O-CH2 3.22Å; V617-W881 WeakPolarHBondContact O-CH2 3.43Å; V617-W881 WeakPolarHBondContact O-CZ2 3.42Å
618	T	85.1	Confident	85.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.			trans	-146.3	171.5	-172.8	67.2	0	0	0	0	108	F94 I584 S611 F616 V620 T621 L880 W881	F94-T618 HydrophobicContact CD2-CG2 4.4Å; F94-T618 HydrophobicContact CE1-CG2 4.43Å; F94-T618 HydrophobicContact CE2-CG2 4.2Å; F94-T618 HydrophobicContact CZ-CG2 4.25Å; I584-T618 HydrophobicContact CG2-CG2 3.97Å; S611-T618 WeakPolarHBondContact CB-OG1 3.44Å; S611-T618 WeakPolarHBondContact OG-CG2 3.39Å; S611-T618 PolarHBondContact OG-OG1 3.02Å; F616-T618 HydrophobicContact CB-CG2 3.8Å; T618-V620 PolarHBondContact O-N 2.94Å; T618-T621 PolarHBondContact N-OG1 3.33Å; T618-T621 CarbonylContact O-C 3.49Å; T618-T621 PolarHBondContact O-N 3.3Å; T618-T621 PolarHBondContact O-OG1 2.97Å; T618-T621 PolarHBondContact OG1-OG1 2.92Å; T618-L880 HydrophobicContact CG2-CD2 4.43Å; T618-W881 WeakPolarHBondContact O-CZ3 3.42Å
619	P	80.6	Confident	83.3	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.019	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.5	-174.9	-27.9	34.7	0	0	0	114.8	R114 L588 L880 W881 L887	R114-P619 WeakPolarHBondContact CD-O 3.17Å; R114-P619 PolarHBondContact NH1-O 3.45Å; L588-P619 HydrophobicContact CD1-CG 4.06Å; P619-L880 HydrophobicContact CG-CB 4.3Å; P619-L880 HydrophobicContact CG-CD2 4.32Å; P619-L880 WeakPolarHBondContact CG-O 3.32Å; P619-W881 HydrophobicContact CB-CE3 4.32Å; P619-W881 HydrophobicContact CG-CD2 4.12Å; P619-W881 HydrophobicContact CG-CE3 3.78Å; P619-W881 HydrophobicContact CG-CG 4.46Å; P619-W881 HydrophobicContact CG-CZ3 4.45Å; P619-L887 WeakPolarHBondContact O-CD1 3.23Å
620	V	84.3	Confident	81.1	Confident	8 Å²	8	31.9 Å²	31.9	5%	0.048	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-12	-179.2	-65.3	0	0	0	0	114.2	R114 L588 A604 A607 T608 T618 L887	R114-V620 WeakPolarHBondContact CB-O 3.43Å; R114-V620 PolarHBondContact N-O 3.15Å; L588-V620 HydrophobicContact CD2-CG1 4.11Å; A604-V620 HydrophobicContact CB-CG1 4.42Å; A607-V620 HydrophobicContact CB-CG2 4.21Å; T608-V620 VanDerWaalsContact OG1-CB 3.31Å; T608-V620 WeakPolarHBondContact OG1-CB 3.33Å; T608-V620 WeakPolarHBondContact OG1-CG2 3.08Å; T618-V620 PolarHBondContact O-N 2.94Å; V620-L887 HydrophobicContact CG1-CD2 4.41Å
621	T	87.6	Confident	78.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	167.8	173.8	51.1	0	0	0	0	111.1	V111 K112 T608 L612 F616 V617 T618	V111-T621 HydrophobicContact CG1-CG2 4.15Å; K112-T621 CarbonylContact O-C 3.5Å; K112-T621 VanDerWaalsContact O-CA 3.24Å; K112-T621 WeakPolarHBondContact O-CA 3.14Å; K112-T621 VanDerWaalsContact O-CB 3.3Å; K112-T621 WeakPolarHBondContact O-CB 3.43Å; T608-T621 HydrophobicContact CG2-CG2 4.36Å; L612-T621 HydrophobicContact CD2-CG2 4.04Å; L612-T621 HydrophobicContact CG-CG2 4.04Å; F616-T621 PolarHBondContact O-OG1 2.73Å; V617-T621 WeakPolarHBondContact CA-OG1 3.48Å; T618-T621 PolarHBondContact N-OG1 3.33Å; T618-T621 CarbonylContact O-C 3.49Å; T618-T621 PolarHBondContact O-N 3.3Å; T618-T621 PolarHBondContact O-OG1 2.97Å; T618-T621 PolarHBondContact OG1-OG1 2.92Å
622	S	84.1	Confident	76.2	Confident	1 Å²	1	41 Å²	41	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	149.3	171.4	-72.9	0	0	0	0	109.3	K112	K112-S622 PolarHBondContact N-O 2.86Å; K112-S622 PolarHBondContact O-N 3.41Å
623	L	83	Confident	73.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.6	-177.6	170.5	149.2	0	0	0	109.6	I95 F98 A109 V111 V134 V617	I95-L623 HydrophobicContact CG2-CD1 4.23Å; F98-L623 HydrophobicContact CB-CD1 3.9Å; F98-L623 HydrophobicContact CB-CD2 3.85Å; F98-L623 HydrophobicContact CD1-CD2 4.07Å; F98-L623 HydrophobicContact CG-CD2 4.37Å; A109-L623 HydrophobicContact CB-CD1 3.9Å; A109-L623 HydrophobicContact CB-CD2 3.48Å; A109-L623 VanDerWaalsContact CB-CD2 3.48Å; A109-L623 HydrophobicContact CB-CG 3.56Å; V111-L623 HydrophobicContact CG2-CB 4.44Å; V111-L623 HydrophobicContact CG2-CD1 4.28Å; V134-L623 HydrophobicContact CB-CB 4.18Å; V134-L623 HydrophobicContact CB-CD2 3.85Å; V134-L623 HydrophobicContact CG2-CD2 3.55Å; V134-L623 PolarHBondContact N-O 2.77Å; V134-L623 PolarHBondContact O-N 2.88Å; V617-L623 HydrophobicContact CG2-CB 3.53Å; V617-L623 HydrophobicContact CG2-CD1 4.1Å; V617-L623 HydrophobicContact CG2-CG 4.47Å
624	V	81.6	Confident	70.7	Confident	7 Å²	7	37 Å²	37	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.3	-176.8	64.1	0	0	0	0	110.8	Q110 K112 A117 I120 G132 L133 V626	Q110-V624 PolarHBondContact N-O 3.41Å; Q110-V624 PolarHBondContact O-N 3.35Å; K112-V624 HydrophobicContact CG-CG1 4.12Å; A117-V624 HydrophobicContact CB-CB 4.3Å; A117-V624 HydrophobicContact CB-CG1 4.27Å; I120-V624 HydrophobicContact CB-CG2 4.32Å; I120-V624 HydrophobicContact CD1-CG1 4.32Å; I120-V624 HydrophobicContact CG2-CG1 4.3Å; I120-V624 HydrophobicContact CG2-CG2 3.86Å; G132-V624 WeakPolarHBondContact O-CA 3.2Å; L133-V624 HydrophobicContact CD1-CB 4.39Å; V624-V626 HydrophobicContact CG2-CG2 4.4Å
625	V	82.5	Confident	68.1	Low	9 Å²	9	43.1 Å²	43.1	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131	172.2	60.8	0	0	0	0	108.9	F98 I100 A109 A131 G132	F98-V625 HydrophobicContact CE1-CG1 4.35Å; I100-V625 HydrophobicContact CD1-CG1 3.79Å; I100-V625 HydrophobicContact CD1-CG2 4.25Å; A109-V625 HydrophobicContact CB-CB 3.75Å; A109-V625 HydrophobicContact CB-CG1 4.5Å; A109-V625 HydrophobicContact CB-CG2 4.47Å; A131-V625 CarbonylContact C-O 3.57Å; A131-V625 VanDerWaalsContact CA-O 3.27Å; A131-V625 WeakPolarHBondContact CA-O 3.34Å; G132-V625 PolarHBondContact N-O 3.31Å; G132-V625 PolarHBondContact O-N 3.09Å
626	V	77.6	Confident	65.4	Low	49 Å²	49	43 Å²	43	30%	0.297	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.5	173.2	-179.1	0	0	0	0	107.4	I120 A124 K129 A131 V624 P628	I120-V626 HydrophobicContact CG2-CG2 3.84Å; A124-V626 HydrophobicContact CB-CB 4.45Å; A124-V626 HydrophobicContact CB-CG1 3.77Å; A124-V626 HydrophobicContact CB-CG2 3.76Å; K129-V626 HydrophobicContact CB-CG1 4.43Å; A131-V626 HydrophobicContact CB-CG2 4.21Å; V624-V626 HydrophobicContact CG2-CG2 4.4Å; V626-P628 WeakPolarHBondContact O-CD 3.43Å
627	K	68.9	Low	62.9	Low	61 Å²	61	50.5 Å²	50.5	27%	0.265	30%	0.304	S	S	.	.			trans	-80.8	115.6	170.7	-174.8	-172.8	173.3	-169.6	0	108	Y107 T130	Y107-K627 HydrophobicContact CE1-CG 4.2Å; Y107-K627 HydrophobicContact CE2-CG 4.39Å; T130-K627 WeakPolarHBondContact O-CB 3.44Å; T130-K627 PolarHBondContact O-N 2.8Å
628	P	57.4	Low	60.3	Low	58 Å²	58	55.9 Å²	55.9	38%	0.377	34%	0.336	S	S	.	.			trans	-64.5	153.1	169.8	28.7	-35.8	0	0	0	110.4	Y107 V626	Y107-P628 HydrophobicContact CE1-CG 4.11Å; V626-P628 WeakPolarHBondContact O-CD 3.43Å
629	D	50.4	Low	57.9	Low	72 Å²	72	62 Å²	62	39%	0.385	37%	0.374	S	S	.	.			trans	-71.3	159.5	-178.4	-70.7	-46.8	0	0	0	112	K129 D631 E632	K129-D629 WeakPolarHBondContact CE-OD2 3.27Å; K129-D629 IonicContact NZ-OD2 2.95Å; D629-D631 PolarHBondContact O-N 2.82Å; D629-E632 HydrophobicContact CB-CG 4.41Å; D629-E632 PolarHBondContact N-OE2 3.36Å; D629-E632 PolarHBondContact O-N 3.19Å
630	A	48.4	Very low	55.5	Low	82 Å²	82	68.7 Å²	68.7	68%	0.678	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.2	-177.3	0	0	0	0	0	112.1
631	D	41.1	Very low	52.8	Low	124 Å²	124	77.6 Å²	77.6	66%	0.663	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-28.5	-174.7	-54.1	-61.8	0	0	0	113.4	D629 A633 A634 Q635	D629-D631 PolarHBondContact O-N 2.82Å; D631-A633 PolarHBondContact O-N 3.1Å; D631-A634 WeakPolarHBondContact O-CB 3.32Å; D631-A634 PolarHBondContact O-N 3.4Å; D631-Q635 PolarHBondContact O-N 2.86Å
632	E	42.3	Very low	50.2	Low	88 Å²	88	83 Å²	83	41%	0.411	49%	0.488	S	S	.	.	H	α-helix	trans	-59.8	-37.9	171.1	-77.4	-178.6	143.6	0	0	111.2	K129 D629 A634 Q635 A636	K129-E632 IonicContact NZ-OE1 3.68Å; K129-E632 PolarHBondContact NZ-OE1 2.79Å; K129-E632 IonicContact NZ-OE2 2.89Å; K129-E632 PolarHBondContact NZ-OE2 3.31Å; D629-E632 HydrophobicContact CB-CG 4.41Å; D629-E632 PolarHBondContact N-OE2 3.36Å; D629-E632 PolarHBondContact O-N 3.19Å; E632-A634 PolarHBondContact O-N 2.65Å; E632-Q635 PolarHBondContact O-N 3.28Å; E632-Q635 VanDerWaalsContact O-N 3.15Å; E632-A636 PolarHBondContact O-N 3.39Å
633	A	37.3	Very low	47.4	Very low	43 Å²	43	89.6 Å²	89.6	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-16.3	177.1	0	0	0	0	0	113.8	D631	D631-A633 PolarHBondContact O-N 3.1Å
634	A	34.6	Very low	44.7	Very low	67 Å²	67	95.3 Å²	95.3	55%	0.554	56%	0.563	S	S	*	*	H	α-helix	trans	-88	-33.2	172.6	0	0	0	0	0	112.3	D631 E632	D631-A634 WeakPolarHBondContact O-CB 3.32Å; D631-A634 PolarHBondContact O-N 3.4Å; E632-A634 PolarHBondContact O-N 2.65Å
635	Q	35.2	Very low	42	Very low	143 Å²	143	101.1 Å²	101.1	67%	0.668	60%	0.599	S	S	*	*	H	α-helix	trans	-82.4	-26.1	-179.4	-62.5	-173.8	8.1	0	0	113.3	D631 E632 L637 T638	D631-Q635 PolarHBondContact O-N 2.86Å; E632-Q635 PolarHBondContact O-N 3.28Å; E632-Q635 VanDerWaalsContact O-N 3.15Å; Q635-L637 PolarHBondContact O-N 2.87Å; Q635-L637 VanDerWaalsContact O-N 3.11Å; Q635-T638 PolarHBondContact O-OG1 2.85Å; Q635-T638 VanDerWaalsContact O-OG1 3.13Å
636	A	34.6	Very low	39.2	Very low	87 Å²	87	103.4 Å²	103.4	72%	0.719	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-10.7	175.8	0	0	0	0	0	114.3	E632	E632-A636 PolarHBondContact O-N 3.39Å
637	L	36.8	Very low	36.7	Very low	158 Å²	158	107.4 Å²	107.4	83%	0.827	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-3.9	-174.6	-139.8	78.3	0	0	0	114.9	Q635	Q635-L637 PolarHBondContact O-N 2.87Å; Q635-L637 VanDerWaalsContact O-N 3.11Å
638	T	33	Very low	34.4	Very low	113 Å²	113	109.8 Å²	109.8	69%	0.693	67%	0.669	S	S	*	*	S	Bend	trans	-116.3	1.5	-167.8	37.8	0	0	0	0	116.1	Q635	Q635-T638 PolarHBondContact O-OG1 2.85Å; Q635-T638 VanDerWaalsContact O-OG1 3.13Å
639	T	35.1	Very low	32.8	Very low	128 Å²	128	113 Å²	113	79%	0.785	69%	0.687	S	S	*	*			trans	-127.4	70.5	-174.4	-40.3	0	0	0	0	113.9
640	V	29.1	Very low	31.5	Very low	144 Å²	144	114.6 Å²	114.6	87%	0.873	70%	0.7	S	S	*	*			trans	-128.3	115.2	159.5	-178.5	0	0	0	0	108.9
641	K	29	Very low	30.3	Very low	195 Å²	195	117.5 Å²	117.5	85%	0.848	71%	0.709	S	S	*	*			trans	-116.2	128.2	170.2	-169.7	178.8	-178.5	-177	0	107.9
642	P	32.2	Very low	29.6	Very low	115 Å²	115	117.3 Å²	117.3	75%	0.747	71%	0.713	S	S	*	*			trans	-81.1	144.9	-169.2	31.4	-35.7	0	0	0	113
643	T	24.3	Very low	28.7	Very low	138 Å²	138	117.4 Å²	117.4	85%	0.847	73%	0.728	S	S	*	*			trans	-136.1	111.1	165.8	-56.8	0	0	0	0	109.2
644	T	26.2	Very low	28.2	Very low	120 Å²	120	122.5 Å²	122.5	74%	0.736	75%	0.748	S	S	*	*			trans	-64.7	148.1	167.9	-22.6	0	0	0	0	108.6
645	T	25.2	Very low	27.6	Very low	130 Å²	130	124.9 Å²	124.9	80%	0.798	76%	0.756	S	S	*	*				-178.2	151.6	55.2	-44.6	0	0	0	0	107.6
646	G	24.7	Very low	27.1	Very low	56 Å²	56	123.6 Å²	123.6	58%	0.577	76%	0.758	S	S	*	*			cis	163	170.9	-7.6	0	0	0	0	0	111.3
647	T	24.2	Very low	26.6	Very low	133 Å²	133	125.8 Å²	125.8	82%	0.816	76%	0.763	S	S	*	*			trans	58.7	136.9	165.9	5.1	0	0	0	0	117.6
648	T	21.5	Very low	26.2	Very low	112 Å²	112	123 Å²	123	69%	0.687	76%	0.763	S	S	*	*			cis	-149.6	156.7	21.7	-36.1	0	0	0	0	106.2
649	T	23.3	Very low	25.8	Very low	124 Å²	124	123.4 Å²	123.4	76%	0.761	77%	0.765	S	S	*	*				-161.7	146	57.1	-61.8	0	0	0	0	114.2
650	T	22.8	Very low	25.2	Very low	107 Å²	107	123.9 Å²	123.9	66%	0.656	77%	0.768	S	S	*	*			trans	-24.3	139.9	168.5	-39.1	0	0	0	0	119.5
651	T	24.7	Very low	25	Very low	142 Å²	142	121.7 Å²	121.7	87%	0.871	77%	0.765	S	S	*	*			trans	-141.9	134.1	142.3	-62.1	0	0	0	0	108.7
652	T	24.7	Very low	24.8	Very low	120 Å²	120	124 Å²	124	74%	0.736	77%	0.769	S	S	*	*			trans	-92.9	148	-177.5	-50	0	0	0	0	111
653	A	24.9	Very low	25.6	Very low	90 Å²	90	124.3 Å²	124.3	74%	0.744	77%	0.771	S	S	*	*			trans	-95.2	-151.1	-173.3	0	0	0	0	0	113.4
654	I	26.8	Very low	25.8	Very low	150 Å²	150	125.6 Å²	125.6	77%	0.769	77%	0.77	S	S	*	*			trans	93.6	121.4	174.3	-58.4	162.2	0	0	0	112.9
655	T	22.1	Very low	25.8	Very low	117 Å²	117	126.5 Å²	126.5	72%	0.718	77%	0.766	S	S	*	*			cis	-156.2	165.2	-1.1	8.7	0	0	0	0	113.9
656	T	24.1	Very low	25.8	Very low	117 Å²	117	127.5 Å²	127.5	72%	0.718	76%	0.764	S	S	*	*			trans	-3.4	151.4	149.5	57.3	0	0	0	0	119.9
657	T	24.2	Very low	25.9	Very low	132 Å²	132	130.7 Å²	130.7	81%	0.81	77%	0.767	S	S	*	*				-155.9	162.5	55	45.5	0	0	0	0	115.1
658	A	28	Very low	26	Very low	101 Å²	101	130 Å²	130	84%	0.835	76%	0.763	S	S	*	*			trans	-143.7	136.6	170.6	0	0	0	0	0	112.1
659	T	23.8	Very low	26.2	Very low	120 Å²	120	130.1 Å²	130.1	74%	0.736	76%	0.764	S	S	*	*			trans	-154.4	122	178.9	-26.9	0	0	0	0	113.6
660	T	24.4	Very low	26.3	Very low	139 Å²	139	135.2 Å²	135.2	85%	0.853	77%	0.769	S	S	*	*			trans	61.8	157	155.7	45.5	0	0	0	0	119.7
661	A	24.7	Very low	26.6	Very low	98 Å²	98	136.7 Å²	136.7	81%	0.81	78%	0.777	S	S	*	*			cis	-138.2	-165.7	7.2	0	0	0	0	0	113.6
662	R	24.9	Very low	27.8	Very low	244 Å²	244	135.1 Å²	135.1	92%	0.921	77%	0.769	S	S	*	*			trans	-99.7	162.8	-165.7	-72	179.4	174.3	-179.3	-1.8	115.8
663	P	47.6	Very low	27.8	Very low	121 Å²	121	141.2 Å²	141.2	79%	0.786	78%	0.779	S	S	*	*			trans	-96.6	169.7	172.5	39.6	-36.8	0	0	0	114.8
664	I	28.3	Very low	28	Very low	164 Å²	164	146.3 Å²	146.3	84%	0.841	78%	0.784	S	S	*	*			trans	-168.5	143.3	165	-108.5	159.1	0	0	0	107.3
665	E	27.3	Very low	28.6	Very low	139 Å²	139	144.6 Å²	144.6	65%	0.65	78%	0.783	S	S	*	*			cis	-142	-124.4	-24.5	-154.8	-156.7	110	0	0	108.2	L667	E665-L667 VanDerWaalsContact OE1-CD1 3.31Å; E665-L667 WeakPolarHBondContact OE1-CD1 3.46Å
666	M	24.3	Very low	28.8	Very low	152 Å²	152	144.2 Å²	144.2	75%	0.749	79%	0.785	S	S	*	*			cis	-151.9	171.1	-6.4	-144.5	-160.5	-173.3	0	0	112.7
667	L	27.5	Very low	28.9	Very low	122 Å²	122	147.2 Å²	147.2	64%	0.639	80%	0.796	S	S	*	*			trans	-26.3	153.3	164.5	-92.8	58.3	0	0	0	119	E665	E665-L667 VanDerWaalsContact OE1-CD1 3.31Å; E665-L667 WeakPolarHBondContact OE1-CD1 3.46Å
668	T	26.4	Very low	29	Very low	120 Å²	120	152 Å²	152	74%	0.736	80%	0.799	S	S	*	*			cis	-144.6	-179.5	22.8	58.1	0	0	0	0	110.7
669	T	25.6	Very low	29	Very low	114 Å²	114	155.5 Å²	155.5	70%	0.699	80%	0.803	S	S	*	*			cis	-157.9	-163.6	-35.1	43	0	0	0	0	105.5
670	R	24.8	Very low	29.1	Very low	231 Å²	231	154.2 Å²	154.2	87%	0.872	80%	0.804	S	S	*	*			cis	-156.8	158.8	6	-145.1	167.5	-171.1	173.3	3.2	109.6
671	V	28.7	Very low	29.5	Very low	137 Å²	137	156.9 Å²	156.9	83%	0.83	80%	0.804	S	S	*	*			trans	-153.7	160.3	-161.4	158.7	0	0	0	0	109.1
672	P	50.3	Low	30.5	Very low	109 Å²	109	158.4 Å²	158.4	71%	0.708	81%	0.805	S	S	*	*			cis	-126.9	-174.1	-0.8	41.9	-27.7	0	0	0	115.5
673	R	24.6	Very low	30.6	Very low	248 Å²	248	155.1 Å²	155.1	94%	0.936	80%	0.8	S	S	*	*				-164.4	139.6	127.2	-107.9	170.4	-170.6	-168.2	2.2	115.9
674	K	29.6	Very low	31.1	Very low	197 Å²	197	154.5 Å²	154.5	86%	0.857	80%	0.797	S	S	*	*			trans	-134.6	152.5	159.6	-84.3	-173.5	176.5	179.3	0	107.3
675	P	39.7	Very low	32.2	Very low	115 Å²	115	151.6 Å²	151.6	75%	0.747	79%	0.788	S	S	*	*				-134.2	151.7	104.4	14.1	7.8	0	0	0	110.9
676	S	25.4	Very low	32.1	Very low	108 Å²	108	153.3 Å²	153.3	76%	0.755	80%	0.796	S	S	*	*			cis	79.3	112.1	37.2	83.2	0	0	0	0	115.8
677	L	26	Very low	32.2	Very low	180 Å²	180	154.6 Å²	154.6	94%	0.942	80%	0.801	S	S	*	*			trans	-142.8	160.5	157.6	-103	172.3	0	0	0	109.8
678	R	26.7	Very low	33.1	Very low	233 Å²	233	154.4 Å²	154.4	88%	0.879	81%	0.806	S	S	*	*			trans	-134	154.5	-174.5	-68.1	177.2	170.6	-174.7	-2.2	110.8
679	L	28	Very low	33.1	Very low	174 Å²	174	153.1 Å²	153.1	91%	0.911	81%	0.808	S	S	*	*			trans	174.1	163.9	142.6	-116.3	62.2	0	0	0	107.5
680	A	26.7	Very low	33.2	Very low	93 Å²	93	154.5 Å²	154.5	77%	0.769	81%	0.811	S	S	*	*				-159.2	168	-50.9	0	0	0	0	0	108.1
681	K	33.7	Very low	33.4	Very low	196 Å²	196	152.2 Å²	152.2	85%	0.852	81%	0.807	S	S	*	*			trans	-109	161	-179.6	-102.7	-177.2	-179.8	-174.7	0	110.2
682	P	44	Very low	33.4	Very low	129 Å²	129	152.8 Å²	152.8	84%	0.838	80%	0.801	S	S	*	*				-153.1	-161	72.2	41.5	-18.3	0	0	0	118.3
683	H	27.4	Very low	32.4	Very low	175 Å²	175	155.9 Å²	155.9	81%	0.81	80%	0.803	S	S	*	*			trans	-118.5	-169.8	-169.1	-108.5	14.3	0	0	0	110.8
684	P	58.8	Low	32.4	Very low	109 Å²	109	150.6 Å²	150.6	71%	0.708	80%	0.799	S	S	*	*			cis	-119.6	-126.4	-11.2	36	-14.6	0	0	0	109.2
685	P	50.1	Low	32.4	Very low	103 Å²	103	149.8 Å²	149.8	67%	0.669	80%	0.796	S	S	*	*			cis	-115.8	-145.8	-41.1	32.8	-9.7	0	0	0	110.6
686	Q	26.4	Very low	32.2	Very low	175 Å²	175	150.2 Å²	150.2	82%	0.818	80%	0.798	S	S	*	*			cis	-154.1	-146	-2.7	-150.5	155.5	-26.2	0	0	112.5
687	Q	25.6	Very low	32.4	Very low	179 Å²	179	152.1 Å²	152.1	84%	0.836	80%	0.799	S	S	*	*			trans	-155.6	-168.4	-174.1	-58.3	-170.8	-48.3	0	0	109.2
688	P	46.1	Very low	33.3	Very low	117 Å²	117	148.9 Å²	148.9	76%	0.76	79%	0.789	S	S	*	*			cis	-145	-161.2	1	44.5	-23	0	0	0	117.4
689	A	27.7	Very low	33.3	Very low	94 Å²	94	144.6 Å²	144.6	78%	0.777	79%	0.788	S	S	*	*			trans	84.3	150.3	151.8	0	0	0	0	0	121.1
690	N	28.1	Very low	33.3	Very low	142 Å²	142	141 Å²	141	76%	0.759	78%	0.778	S	S	*	*			cis	-172.3	172.4	-22.8	-169.5	6.7	0	0	0	110.8
691	K	28.2	Very low	33.3	Very low	183 Å²	183	145 Å²	145	80%	0.796	79%	0.785	S	S	*	*			trans	86	155.3	168.4	-56	177	-178.8	177.3	0	118.6
692	Q	28.1	Very low	33	Very low	150 Å²	150	139.7 Å²	139.7	70%	0.701	78%	0.778	S	S	*	*			cis	-171	132.7	-48.8	-124.4	-167.2	9.8	0	0	112.5
693	K	28.9	Very low	32.1	Very low	173 Å²	173	142.7 Å²	142.7	75%	0.752	78%	0.778	S	S	*	*			trans	62.8	162.2	159.3	-57.1	175.1	178	174.4	0	116.9
694	T	25.5	Very low	31.8	Very low	137 Å²	137	139.9 Å²	139.9	84%	0.84	77%	0.773	S	S	*	*			cis	-147.1	169	8.3	-25.2	0	0	0	0	112.7
695	K	29.9	Very low	30.2	Very low	181 Å²	181	144.5 Å²	144.5	79%	0.787	78%	0.782	S	S	*	*			trans	-77.6	168.4	173.1	-122.2	179.5	-176.3	-179.5	0	112.1
696	P	34.6	Very low	29.1	Very low	123 Å²	123	143.7 Å²	143.7	80%	0.799	78%	0.784	S	S	*	*				-149.6	-169.7	62.8	41.7	-20.4	0	0	0	117.6
697	L	31.1	Very low	30	Very low	148 Å²	148	141 Å²	141	78%	0.775	78%	0.782	S	S	*	*			trans	-129.1	150.2	172	-87.9	160.7	0	0	0	109.4
698	P	44.3	Very low	31.1	Very low	113 Å²	113	137 Å²	137	73%	0.734	77%	0.772	S	S	*	*				-128.8	151.9	122.3	6.3	16.1	0	0	0	111.2
699	V	27.2	Very low	30.3	Very low	143 Å²	143	137 Å²	137	87%	0.867	77%	0.77	S	S	*	*				79.5	137.4	51.7	-178.5	0	0	0	0	113.5
700	S	26.9	Very low	30.4	Very low	99 Å²	99	141.3 Å²	141.3	69%	0.692	77%	0.771	S	S	*	*			trans	-105.8	162.7	-167.2	54.2	0	0	0	0	114.2
701	L	27	Very low	30.3	Very low	175 Å²	175	143.4 Å²	143.4	92%	0.916	77%	0.773	S	S	*	*				174.4	163.2	125.9	-93.8	158.5	0	0	0	113.5
702	A	26.6	Very low	30.2	Very low	86 Å²	86	140 Å²	140	71%	0.711	77%	0.768	S	S	*	*			trans	-89.5	170	-167.6	0	0	0	0	0	115.7
703	K	24.8	Very low	30.1	Very low	192 Å²	192	137.2 Å²	137.2	84%	0.835	77%	0.77	S	S	*	*			trans	-172.1	116.6	136.9	-106.1	160.6	-173	177.8	0	118
704	T	22.7	Very low	30	Very low	116 Å²	116	136.8 Å²	136.8	71%	0.712	78%	0.775	S	S	*	*			trans	49.8	127.1	132.6	51.4	0	0	0	0	125.9
705	K	23.6	Very low	30	Very low	205 Å²	205	137 Å²	137	89%	0.891	77%	0.771	S	S	*	*				97.5	138.2	125.4	-83.6	-178.1	174.7	-177.1	0	122.6
706	A	27.9	Very low	30.6	Very low	86 Å²	86	133.9 Å²	133.9	71%	0.711	77%	0.769	S	S	*	*			trans	-89.5	-177.7	169.2	0	0	0	0	0	112
707	P	45.9	Very low	30.3	Very low	119 Å²	119	132.9 Å²	132.9	77%	0.773	77%	0.765	S	S	*	*				-143.9	-137.8	77.1	39	-16.9	0	0	0	110.5
708	P	47.3	Very low	30.9	Very low	95 Å²	95	131.6 Å²	131.6	62%	0.617	77%	0.765	S	S	*	*			cis	-141.3	132.9	-20.7	32.8	-9.9	0	0	0	118.1
709	T	29.1	Very low	30	Very low	118 Å²	118	131.4 Å²	131.4	72%	0.724	77%	0.767	S	S	*	*			trans	68.2	159.4	141.1	66.7	0	0	0	0	120.7
710	K	29.8	Very low	31	Very low	183 Å²	183	129.8 Å²	129.8	80%	0.796	76%	0.759	S	S	*	*			cis	-153.7	-162.6	0.4	-121.8	154.8	-162.4	165.8	0	108.2
711	K	26.5	Very low	30.9	Very low	187 Å²	187	132.4 Å²	132.4	81%	0.813	76%	0.764	S	S	*	*			cis	-154.5	-150.3	14.5	-149.1	-161	167	-174.9	0	112.6
712	T	25.6	Very low	30.8	Very low	110 Å²	110	132.9 Å²	132.9	68%	0.675	76%	0.759	S	S	*	*			trans	-98.1	165.7	-175.4	45.4	0	0	0	0	114.9
713	A	26.5	Very low	30.7	Very low	92 Å²	92	135 Å²	135	76%	0.76	76%	0.763	S	S	*	*			cis	-155.3	-131	-13.5	0	0	0	0	0	109
714	I	27	Very low	30.7	Very low	165 Å²	165	129.8 Å²	129.8	85%	0.846	76%	0.755	S	S	*	*			cis	-149.3	167.6	14.2	-63.1	167.5	0	0	0	108.5
715	N	24.6	Very low	31.3	Very low	140 Å²	140	130.5 Å²	130.5	75%	0.749	76%	0.762	S	S	*	*			trans	-140.6	148.5	175	-168.3	15.9	0	0	0	109.7
716	P	44.2	Very low	31.3	Very low	117 Å²	117	124.6 Å²	124.6	76%	0.76	75%	0.752	S	S	*	*				-156.4	169.8	102.2	42.1	-23.4	0	0	0	118.4
717	S	27.5	Very low	31.1	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	75%	0.754	S	S	*	*			trans	-82	179.9	162.8	57	0	0	0	0	112
718	P	43.3	Very low	30.1	Very low	120 Å²	120	128 Å²	128	78%	0.779	75%	0.754	S	S	*	*			cis	-150.6	-171	32.8	44.7	-21.5	0	0	0	119.1
719	S	26.8	Very low	28.9	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	77%	0.767	S	S	*	*			trans	-73.3	-171.1	169.4	-26.1	0	0	0	0	113.1
720	P	47	Very low	28.7	Very low	109 Å²	109	127.1 Å²	127.1	71%	0.708	77%	0.767	S	S	*	*			cis	-138.7	-173.8	-1.1	33.8	-10.3	0	0	0	115.9
721	I	26.1	Very low	28.6	Very low	154 Å²	154	128.4 Å²	128.4	79%	0.79	77%	0.772	S	S	*	*			trans	152.6	151.6	134.8	-78.3	165.4	0	0	0	113.8
722	K	24.4	Very low	28.4	Very low	185 Å²	185	127.6 Å²	127.6	80%	0.804	77%	0.769	S	S	*	*			trans	-38.6	165.2	172.2	-48.1	168.7	-176.8	175.2	0	115
723	T	24.6	Very low	28.3	Very low	130 Å²	130	129.5 Å²	129.5	80%	0.798	77%	0.774	S	S	*	*			cis	-167.2	165.6	33.8	-27.1	0	0	0	0	111
724	A	25.2	Very low	28.2	Very low	82 Å²	82	129.4 Å²	129.4	68%	0.678	77%	0.774	S	S	*	*			trans	-88.4	153.9	153.2	0	0	0	0	0	109.4
725	P	34.4	Very low	28.3	Very low	131 Å²	131	126.6 Å²	126.6	85%	0.851	78%	0.775	S	S	*	*				-154.7	-158.7	76.6	44.1	-23.1	0	0	0	115.6
726	A	24.2	Very low	28.3	Very low	81 Å²	81	125 Å²	125	67%	0.669	78%	0.775	S	S	*	*			trans	-57.1	147.3	-176	0	0	0	0	0	119.1
727	T	23.3	Very low	27.5	Very low	125 Å²	125	128.3 Å²	128.3	77%	0.767	78%	0.78	S	S	*	*				44.8	136.1	127.3	-37.6	0	0	0	0	121.6
728	I	24.2	Very low	27.4	Very low	151 Å²	151	131.3 Å²	131.3	77%	0.774	79%	0.788	S	S	*	*				163.7	139.6	126.3	-85.8	161	0	0	0	115.5
729	S	23.2	Very low	26.7	Very low	125 Å²	125	132.7 Å²	132.7	87%	0.874	79%	0.789	S	S	*	*			trans	62.8	138.7	156.5	-77.3	0	0	0	0	124
730	G	24.8	Very low	27.4	Very low	71 Å²	71	132.2 Å²	132.2	73%	0.732	78%	0.783	S	S	*	*			trans	-156.8	14.5	179.2	0	0	0	0	0	119.7
731	K	26.2	Very low	26.3	Very low	209 Å²	209	135.9 Å²	135.9	91%	0.909	79%	0.788	S	S	*	*			trans	71.9	165.6	178.3	-59.3	172.5	-179.2	171	0	117
732	K	22.8	Very low	26.4	Very low	170 Å²	170	134.8 Å²	134.8	74%	0.739	79%	0.789	S	S	*	*			cis	-179	137	-36.1	179.1	177.3	-176.3	-164.5	0	110.3
733	L	25	Very low	26.7	Very low	150 Å²	150	131.6 Å²	131.6	79%	0.785	79%	0.787	S	S	*	*			trans	65	154	164.9	-78.7	168.4	0	0	0	116.8
734	A	24.4	Very low	26.8	Very low	91 Å²	91	133 Å²	133	75%	0.752	79%	0.789	S	S	*	*			cis	-148.9	178.6	-8.1	0	0	0	0	0	110.3
735	A	27.9	Very low	26.8	Very low	105 Å²	105	138 Å²	138	87%	0.868	80%	0.797	S	S	*	*			trans	-139.1	153.6	178	0	0	0	0	0	113.4
736	S	23.8	Very low	26.8	Very low	108 Å²	108	136.5 Å²	136.5	76%	0.755	79%	0.791	S	S	*	*			trans	-160.8	116.4	162.8	51.8	0	0	0	0	105.9
737	Q	28.6	Very low	27.1	Very low	185 Å²	185	138.3 Å²	138.3	86%	0.864	80%	0.795	S	S	*	*				43.7	108	75.7	-76.3	-166.7	-52.1	0	0	113.4
738	D	24.4	Very low	27.2	Very low	166 Å²	166	141 Å²	141	89%	0.888	80%	0.797	S	S	*	*				-159.7	127.2	111.8	-98	-18.7	0	0	0	111.2
739	D	28.7	Very low	27.2	Very low	148 Å²	148	141.1 Å²	141.1	79%	0.791	80%	0.798	S	S	*	*			trans	-87.7	155.1	156.2	-122.7	-45.5	0	0	0	106.1
740	P	41.2	Very low	27.2	Very low	100 Å²	100	139.6 Å²	139.6	65%	0.649	79%	0.787	S	S	*	*				-162.6	-172.1	68	43.3	-21.4	0	0	0	118
741	K	24.6	Very low	27.4	Very low	187 Å²	187	141.8 Å²	141.8	81%	0.813	79%	0.786	S	S	*	*			trans	87.3	105.6	154	-69.2	167	-174.8	171.9	0	118.9
742	T	27.7	Very low	27.5	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	78%	0.775	S	S	*	*			trans	-49	152.4	139.3	-9.2	0	0	0	0	111.6
743	P	30.8	Very low	27.7	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	78%	0.777	S	S	*	*				-132.9	153.1	108.2	37.3	-30.4	0	0	0	114.5
744	L	26.5	Very low	27.8	Very low	159 Å²	159	134.8 Å²	134.8	83%	0.832	77%	0.774	S	S	*	*			trans	-80.7	132.6	171.3	-178.9	83	0	0	0	109.9
745	H	26.6	Very low	28	Very low	186 Å²	186	137.4 Å²	137.4	86%	0.861	78%	0.775	S	S	*	*			trans	-155.9	140.2	156.4	-102.7	-68.8	0	0	0	113.7
746	S	33.3	Very low	28	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	76%	0.761	S	S	*	*			trans	-129.9	141.6	161.9	64.9	0	0	0	0	108.6
747	P	31.7	Very low	28.1	Very low	119 Å²	119	138.2 Å²	138.2	77%	0.773	77%	0.765	S	S	*	*				-133.7	157.8	112.9	36.4	-26.3	0	0	0	111.9
748	K	24.2	Very low	28.1	Very low	182 Å²	182	137.6 Å²	137.6	79%	0.791	76%	0.76	S	S	*	*			cis	85	123.5	35.5	-100.3	-170.8	177	-179	0	115.8
749	L	24	Very low	28.2	Very low	153 Å²	153	135 Å²	135	80%	0.801	75%	0.75	S	S	*	*			trans	70.2	156.3	169.6	-79.4	73.7	0	0	0	115.1
750	S	24.5	Very low	28.1	Very low	93 Å²	93	134.7 Å²	134.7	65%	0.65	75%	0.754	S	S	*	*			cis	-140.3	138.5	17.2	69.3	0	0	0	0	113
751	T	27.6	Very low	27.5	Very low	116 Å²	116	138.7 Å²	138.7	71%	0.712	76%	0.763	S	S	*	*				68.6	144.2	108	64.4	0	0	0	0	118
752	S	28.8	Very low	28.9	Very low	95 Å²	95	134.8 Å²	134.8	66%	0.664	76%	0.757	S	S	*	*			cis	178.4	159.4	-13.7	52	0	0	0	0	111.1
753	L	26.8	Very low	29.4	Very low	150 Å²	150	134.5 Å²	134.5	79%	0.785	76%	0.758	S	S	*	*			trans	150.3	116	141.1	-79.4	161.8	0	0	0	108.1
754	L	28	Very low	29.4	Very low	137 Å²	137	133.3 Å²	133.3	72%	0.717	76%	0.758	S	S	*	*				61.4	122.3	70.7	-70.7	156.9	0	0	0	111.6
755	N	28.4	Very low	30.2	Very low	147 Å²	147	131.9 Å²	131.9	79%	0.786	76%	0.758	S	S	*	*			cis	-150.6	-178.5	32.1	-80.5	-52.8	0	0	0	112.2
756	A	28.6	Very low	30.1	Very low	69 Å²	69	126.4 Å²	126.4	57%	0.57	75%	0.752	S	S	*	*			cis	-179	136.9	-43.2	0	0	0	0	0	110.8
757	L	26	Very low	29.8	Very low	161 Å²	161	131 Å²	131	84%	0.843	76%	0.759	S	S	*	*			trans	63.9	159.6	158.8	-65.5	159.3	0	0	0	116.9
758	K	27.1	Very low	29.5	Very low	172 Å²	172	131.5 Å²	131.5	75%	0.748	76%	0.76	S	S	*	*			cis	-158.1	145.2	18.8	-141.5	166.5	-176.6	178.6	0	111.9
759	T	27.4	Very low	29.5	Very low	111 Å²	111	129.4 Å²	129.4	68%	0.681	76%	0.763	S	S	*	*			trans	23.3	135.1	146.2	62.3	0	0	0	0	121.2
760	T	26.6	Very low	29.5	Very low	142 Å²	142	128.2 Å²	128.2	87%	0.871	76%	0.762	S	S	*	*				-173	-180	73.1	32.7	0	0	0	0	112.6
761	Q	28	Very low	29.7	Very low	183 Å²	183	130.5 Å²	130.5	86%	0.855	77%	0.765	S	S	*	*			trans	-105.8	-163.5	-177.1	-133.2	-163	-17.7	0	0	112.6
762	P	53.6	Low	30.1	Very low	105 Å²	105	130.7 Å²	130.7	68%	0.682	77%	0.769	S	S	*	*			trans	-89.1	-179.1	-143.3	44.2	-38.2	0	0	0	114.7
763	P	38.7	Very low	29.9	Very low	126 Å²	126	131.2 Å²	131.2	82%	0.818	77%	0.768	S	S	*	*				-150.1	177.9	101.5	41.2	-25.7	0	0	0	116.5
764	A	30.5	Very low	29.8	Very low	92 Å²	92	129.7 Å²	129.7	76%	0.76	77%	0.765	S	S	*	*			trans	-129.6	178.3	153.7	0	0	0	0	0	107.2
765	P	44.8	Very low	29.7	Very low	130 Å²	130	130 Å²	130	84%	0.844	77%	0.773	S	S	*	*			cis	-133.2	-175.2	-5	42.9	-27	0	0	0	114.3
766	G	24.3	Very low	29.5	Very low	71 Å²	71	128.4 Å²	128.4	73%	0.732	77%	0.769	S	S	*	*			trans	120.3	127.3	135.3	0	0	0	0	0	122.3
767	K	25.2	Very low	29.3	Very low	197 Å²	197	132.3 Å²	132.3	86%	0.857	78%	0.777	S	S	*	*			trans	64.8	109.5	133.7	-76	-171.9	175.5	-177.3	0	124
768	T	26.9	Very low	29.5	Very low	130 Å²	130	131.6 Å²	131.6	80%	0.798	77%	0.769	S	S	*	*			trans	51.5	117.1	130.4	45.3	0	0	0	0	122.9
769	T	23	Very low	29.6	Very low	138 Å²	138	128.7 Å²	128.7	85%	0.847	77%	0.766	S	S	*	*			trans	-168.5	147.6	162.3	15.4	0	0	0	0	106.9
770	T	24.1	Very low	29.6	Very low	127 Å²	127	130.3 Å²	130.3	78%	0.779	77%	0.77	S	S	*	*			cis	-152.2	177.2	-9.7	-42.4	0	0	0	0	108.3
771	I	29	Very low	29.6	Very low	141 Å²	141	129.4 Å²	129.4	72%	0.723	76%	0.76	S	S	*	*			trans	-105.6	141.2	170.1	-49.8	166.6	0	0	0	108.8
772	P	36.4	Very low	29.5	Very low	121 Å²	121	125.9 Å²	125.9	79%	0.786	75%	0.751	S	S	*	*				-138.3	124.8	111.5	27.3	-9.6	0	0	0	112.5
773	T	25	Very low	28.4	Very low	106 Å²	106	125.9 Å²	125.9	65%	0.65	75%	0.753	S	S	*	*				77.5	114.7	70.7	-35	0	0	0	0	116
774	T	23.9	Very low	27.8	Very low	118 Å²	118	126.1 Å²	126.1	72%	0.724	75%	0.753	S	S	*	*			trans	55.2	131	154.8	48.3	0	0	0	0	123
775	T	25.5	Very low	27.6	Very low	143 Å²	143	127 Å²	127	88%	0.877	75%	0.753	S	S	*	*				-150.9	153.1	109.4	-70.3	0	0	0	0	109
776	T	24.7	Very low	27.6	Very low	114 Å²	114	125.8 Å²	125.8	70%	0.699	75%	0.745	S	S	*	*			trans	-137.1	150.2	-171.9	-52.5	0	0	0	0	110
777	M	25.1	Very low	27.8	Very low	151 Å²	151	130.6 Å²	130.6	74%	0.744	75%	0.748	S	S	*	*			trans	177.3	119.1	147.5	-87.9	-98.9	147.7	0	0	108.6
778	Q	28.7	Very low	27.8	Very low	145 Å²	145	128 Å²	128	68%	0.678	74%	0.743	S	S	*	*				76.9	140.9	80.4	-72.7	-157.9	-10.6	0	0	113.9
779	T	29.6	Very low	27.7	Very low	111 Å²	111	127.7 Å²	127.7	68%	0.681	74%	0.741	S	S	*	*			cis	-165.1	-176.5	-6.7	20.6	0	0	0	0	107.4
780	L	27.6	Very low	27.9	Very low	145 Å²	145	125.7 Å²	125.7	76%	0.759	73%	0.733	S	S	*	*			cis	-156.9	177.6	5.1	-143.9	74.1	0	0	0	104.8
781	D	27.8	Very low	27.9	Very low	124 Å²	124	124.5 Å²	124.5	66%	0.663	73%	0.73	S	S	*	*			cis	-148.6	-133.9	-8.7	-155.2	-10.1	0	0	0	107.1
782	T	26.2	Very low	27.7	Very low	108 Å²	108	128.7 Å²	128.7	66%	0.663	74%	0.737	S	S	*	*			cis	-154	117.1	-4.4	-17.5	0	0	0	0	111.8
783	S	29.7	Very low	27.2	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	73%	0.731	S	S	*	*			trans	60.2	160.9	156.3	76.5	0	0	0	0	119.4
784	T	25.2	Very low	27.4	Very low	132 Å²	132	130 Å²	130	81%	0.81	74%	0.737	S	S	*	*			cis	-144.5	165.6	2.9	-30.4	0	0	0	0	110.9
785	S	26	Very low	28.9	Very low	110 Å²	110	129.9 Å²	129.9	77%	0.769	74%	0.738	S	S	*	*			trans	-103.4	-163.1	-178.9	-31.8	0	0	0	0	111.6
786	P	45.7	Very low	29	Very low	105 Å²	105	131.8 Å²	131.8	68%	0.682	74%	0.737	S	S	*	*			cis	-148.1	175.8	21.9	46.2	-25.8	0	0	0	120.5
787	H	27.7	Very low	29.1	Very low	172 Å²	172	131.1 Å²	131.1	80%	0.796	74%	0.743	S	S	*	*			trans	70.4	149	154.4	-72.2	-48.3	0	0	0	120.1
788	L	26.1	Very low	29.1	Very low	143 Å²	143	127.1 Å²	127.1	75%	0.749	74%	0.74	S	S	*	*			cis	-148.4	179.4	10.6	-119.2	154	0	0	0	113.3
789	T	25.4	Very low	29.1	Very low	122 Å²	122	126.5 Å²	126.5	75%	0.748	75%	0.747	S	S	*	*			trans	-52	179.2	175.6	45.4	0	0	0	0	116.8
790	S	26.5	Very low	29	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	75%	0.75	S	S	*	*			cis	153.6	138.1	-19.3	-178.6	0	0	0	0	108.1
791	S	24.6	Very low	29.1	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	75%	0.752	S	S	*	*			trans	55.4	107.2	150.1	56.9	0	0	0	0	124.3
792	R	25.4	Very low	29.1	Very low	229 Å²	229	134.2 Å²	134.2	86%	0.864	76%	0.759	S	S	*	*				74.1	138.2	118.8	-136.7	-178.5	-169.2	174.5	1.9	123.4
793	T	24	Very low	29.1	Very low	108 Å²	108	132.3 Å²	132.3	66%	0.663	76%	0.761	S	S	*	*			trans	74.4	119.3	152.2	25.9	0	0	0	0	122.6
794	D	29.8	Very low	30.1	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	77%	0.77	S	S	*	*				33.3	164.3	126.5	-47	-16.6	0	0	0	121.6
795	P	55.7	Low	30.3	Very low	116 Å²	116	131 Å²	131	75%	0.753	76%	0.764	S	S	*	*			cis	-146.5	-145.4	19.1	42	-17	0	0	0	116.4
796	E	27.2	Very low	30.8	Very low	183 Å²	183	135.4 Å²	135.4	86%	0.855	77%	0.769	S	S	*	*			trans	80	152.1	170.1	-53	-158.1	138.4	0	0	119.1
797	A	26.9	Very low	30	Very low	100 Å²	100	136 Å²	136	83%	0.826	77%	0.771	S	S	*	*			cis	-171.3	154.7	-31.8	0	0	0	0	0	108.7
798	G	25.7	Very low	30.1	Very low	66 Å²	66	133.1 Å²	133.1	68%	0.68	77%	0.77	S	S	*	*			cis	173.3	165.7	-10.2	0	0	0	0	0	114.1
799	T	27.8	Very low	29.8	Very low	132 Å²	132	129.6 Å²	129.6	81%	0.81	77%	0.769	S	S	*	*			trans	87.8	117.6	148.4	-40.6	0	0	0	0	123.7
800	R	27.9	Very low	31	Very low	202 Å²	202	129.3 Å²	129.3	76%	0.762	77%	0.769	S	S	*	*			trans	92.1	120	140	-95.3	177.2	179	-174.2	1.7	125
801	R	30.9	Very low	30.9	Very low	210 Å²	210	133.9 Å²	133.9	79%	0.792	78%	0.777	S	S	*	*			trans	67.4	146.4	138.8	-81.2	178.4	178.5	-172.4	-2.3	118.3
802	T	27.2	Very low	30.9	Very low	131 Å²	131	134.3 Å²	134.3	80%	0.804	78%	0.78	S	S	*	*			cis	-145.2	166.6	7.1	17.6	0	0	0	0	111.8
803	G	26.9	Very low	30.9	Very low	68 Å²	68	132.1 Å²	132.1	70%	0.701	78%	0.779	S	S	*	*			trans	-85.4	-160	161.6	0	0	0	0	0	112.9
804	P	50.7	Low	31	Very low	142 Å²	142	133.6 Å²	133.6	92%	0.922	79%	0.788	S	S	*	*			cis	-124.9	-175.8	13	42.5	-28	0	0	0	114.6
805	G	29.4	Very low	30.9	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	79%	0.788	S	S	*	*			cis	158.1	155.6	-14.7	0	0	0	0	0	115.8
806	K	35.6	Very low	29.4	Very low	203 Å²	203	136.6 Å²	136.6	88%	0.883	79%	0.792	S	S	*	*			trans	72.4	151.9	167.6	-62.6	-173.2	175.7	-177.7	0	117.9
807	T	28.6	Very low	29.4	Very low	118 Å²	118	138.3 Å²	138.3	72%	0.724	79%	0.791	S	S	*	*			cis	-151.7	142.3	10.2	-16.9	0	0	0	0	115
808	S	29.3	Very low	29.3	Very low	111 Å²	111	140 Å²	140	78%	0.776	79%	0.791	S	S	*	*			trans	47.1	137	144.3	56	0	0	0	0	125.2
809	G	20.7	Very low	29.3	Very low	69 Å²	69	145.7 Å²	145.7	71%	0.711	80%	0.797	S	S	*	*			trans	-89.1	-138.8	162.7	0	0	0	0	0	113.5
810	P	51.2	Low	29.1	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	80%	0.796	S	S	*	*			cis	-147.2	-172	12.2	44.6	-24.5	0	0	0	118.4
811	F	23.7	Very low	29.2	Very low	193 Å²	193	139.1 Å²	139.1	85%	0.846	79%	0.793	S	S	*	*			trans	81.4	139.9	147.6	-95	-70.7	0	0	0	125.3
812	S	24.3	Very low	29.6	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	79%	0.793	S	S	*	*			trans	92.2	141.5	144.1	-64.2	0	0	0	0	123.6
813	E	26.2	Very low	29.6	Very low	182 Å²	182	135.3 Å²	135.3	85%	0.85	79%	0.79	S	S	*	*			trans	-82.7	175.1	167.5	-54.5	161.3	109.9	0	0	111.5
814	V	25.4	Very low	29.4	Very low	139 Å²	139	140 Å²	140	84%	0.842	80%	0.798	S	S	*	*				168.5	143.6	127.2	150.5	0	0	0	0	111.8
815	E	28.4	Very low	28.3	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	79%	0.788	S	S	*	*			trans	-74.6	151.4	168.5	-53.9	173.8	96.8	0	0	112.1
816	N	23.9	Very low	28	Very low	156 Å²	156	146.2 Å²	146.2	83%	0.834	80%	0.796	S	S	*	*				-164.2	162.7	121.9	-118.6	-66.7	0	0	0	117.6
817	R	27.2	Very low	27.5	Very low	219 Å²	219	141.8 Å²	141.8	83%	0.826	79%	0.791	S	S	*	*			trans	-90.6	153	165.3	-62.7	159.8	160.5	170.1	-7.1	110.2
818	T	24.5	Very low	27.3	Very low	134 Å²	134	144.9 Å²	144.9	82%	0.822	80%	0.797	S	S	*	*			trans	150.9	155	136.5	37.9	0	0	0	0	108.5
819	K	25.1	Very low	27	Very low	186 Å²	186	145.7 Å²	145.7	81%	0.809	80%	0.797	S	S	*	*			cis	170.6	160.6	-22.6	-112.4	-169.9	177.1	-175.2	0	103.4
820	S	23.9	Very low	27.6	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	80%	0.804	S	S	*	*			trans	64.5	123.5	156.8	33.1	0	0	0	0	120
821	A	31.3	Very low	26.3	Very low	84 Å²	84	147.6 Å²	147.6	69%	0.694	81%	0.805	S	S	*	*			trans	-71.5	-173.1	156.1	0	0	0	0	0	111.6
822	P	38.7	Very low	26.4	Very low	125 Å²	125	143.4 Å²	143.4	81%	0.812	81%	0.806	S	S	*	*				-142.6	171.5	94.4	40	-27	0	0	0	115.9
823	D	26.1	Very low	26.3	Very low	136 Å²	136	144.5 Å²	144.5	73%	0.727	81%	0.809	S	S	*	*			trans	-75.5	167.6	176.2	-50.3	-94.5	0	0	0	114.9
824	L	24.4	Very low	26.2	Very low	165 Å²	165	143 Å²	143	86%	0.864	81%	0.806	S	S	*	*			trans	-176.9	109.4	133	-90.6	146.4	0	0	0	107.2
825	H	26.1	Very low	26.2	Very low	158 Å²	158	147.2 Å²	147.2	73%	0.731	81%	0.806	S	S	*	*				92.9	108	64.8	-96.7	-71.9	0	0	0	114.6
826	Q	24.6	Very low	26	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	80%	0.802	S	S	*	*				175.9	120.5	121.7	-93.4	171.5	9.1	0	0	108.2
827	S	23.4	Very low	26.2	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	80%	0.801	S	S	*	*				77.5	137.6	86.5	-107.1	0	0	0	0	113.1
828	E	24.7	Very low	26.2	Very low	184 Å²	184	137.9 Å²	137.9	86%	0.86	80%	0.797	S	S	*	*			cis	-137.5	169.8	13.8	-61.5	-173.4	125.5	0	0	113.7
829	T	23.9	Very low	26.5	Very low	127 Å²	127	137.1 Å²	137.1	78%	0.779	80%	0.795	S	S	*	*			trans	-104.2	159.5	168	-22.4	0	0	0	0	110
830	P	32	Very low	26.4	Very low	130 Å²	130	133.1 Å²	133.1	84%	0.844	80%	0.796	S	S	*	*				-139.5	161.6	107.5	37.7	-26.9	0	0	0	114.1
831	A	24.9	Very low	26.6	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	80%	0.795	S	S	*	*			trans	-99.3	151.5	-176.2	0	0	0	0	0	113.2
832	A	25	Very low	26.5	Very low	106 Å²	106	134.5 Å²	134.5	88%	0.876	80%	0.798	S	S	*	*			trans	-137.8	122.7	163.7	0	0	0	0	0	109.9
833	T	23.8	Very low	25.9	Very low	134 Å²	134	134 Å²	134	82%	0.822	80%	0.795	S	S	*	*			trans	-92.5	129.2	-174.2	-45.4	0	0	0	0	111.1
834	L	23.8	Very low	25.9	Very low	150 Å²	150	135.4 Å²	135.4	79%	0.785	80%	0.803	S	S	*	*			trans	-168.8	118.7	153.6	-107.5	153.7	0	0	0	114.8
835	R	24.4	Very low	26.2	Very low	228 Å²	228	133.4 Å²	133.4	86%	0.86	80%	0.797	S	S	*	*			trans	42.7	129.9	150.2	-73.1	172.6	-175.2	177.5	0.5	122.1
836	S	25.1	Very low	26.2	Very low	99 Å²	99	129 Å²	129	69%	0.692	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-64.6	143.9	158.4	51.5	0	0	0	0	113.5
837	P	27	Very low	26.4	Very low	128 Å²	128	129.5 Å²	129.5	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-81.3	118.5	166.4	31.9	-31.3	0	0	0	111.4
838	T	28	Very low	26.4	Very low	121 Å²	121	132.5 Å²	132.5	74%	0.742	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-78.1	149.6	169	-51.1	0	0	0	0	109.8
839	P	29.8	Very low	26.5	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-57.2	142.2	178.5	-26.5	35.7	0	0	0	113.4
840	A	23.8	Very low	26.6	Very low	101 Å²	101	128.7 Å²	128.7	84%	0.835	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79.6	138.1	179.4	0	0	0	0	0	112.2
841	S	28.1	Very low	26.5	Very low	109 Å²	109	130.4 Å²	130.4	76%	0.762	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-66.3	152.4	170	-50.9	0	0	0	0	111.6
842	P	28.8	Very low	26.5	Very low	117 Å²	117	133.4 Å²	133.4	76%	0.76	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65.4	151.5	171.2	29.4	-35.4	0	0	0	111.4
843	P	27.6	Very low	26.7	Very low	116 Å²	116	136.5 Å²	136.5	75%	0.753	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-74.2	143	177.3	31.2	-34.6	0	0	0	111.8
844	D	24.9	Very low	26.7	Very low	165 Å²	165	135.5 Å²	135.5	88%	0.882	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.1	133.9	170.1	-167.2	4.7	0	0	0	109.9
845	V	31.7	Very low	26.9	Very low	122 Å²	122	135.5 Å²	135.5	74%	0.739	80%	0.803	S	S	*	*			trans	-127.1	95.5	-174.2	-178.1	0	0	0	0	109.6
846	G	25.5	Very low	27.1	Very low	66 Å²	66	130 Å²	130	68%	0.68	80%	0.795	S	S	*	*			trans	-65.5	146.8	175.2	0	0	0	0	0	113	N848	G846-N848 PolarHBondContact O-N 2.92Å
847	H	27.7	Very low	27.5	Very low	194 Å²	194	132.4 Å²	132.4	90%	0.898	80%	0.8	S	S	*	*			trans	-59.1	132.2	177.5	-72.9	-83.7	0	0	0	112.8
848	N	24.8	Very low	28	Very low	171 Å²	171	130.3 Å²	130.3	91%	0.914	78%	0.781	S	S	*	*			trans	-148.9	132.9	146.1	-110.3	-32.1	0	0	0	109.2	G846	G846-N848 PolarHBondContact O-N 2.92Å
849	S	26.1	Very low	28.8	Very low	118 Å²	118	127.6 Å²	127.6	83%	0.825	77%	0.767	S	S	*	*			trans	-107.7	125.4	-168.3	52.5	0	0	0	0	112.6
850	S	25.2	Very low	29.6	Very low	114 Å²	114	123.1 Å²	123.1	80%	0.797	74%	0.736	S	S	*	*			trans	-149.8	133.3	161.3	56.9	0	0	0	0	109.9
851	N	30.2	Very low	30.5	Very low	166 Å²	166	120.3 Å²	120.3	89%	0.888	71%	0.713	S	S	*	*			trans	-72.1	130.7	-172.6	-61.1	-18	0	0	0	112.4
852	L	25.5	Very low	31.3	Very low	157 Å²	157	119.8 Å²	119.8	82%	0.822	71%	0.705	S	S	*	*			trans	-145	133.9	157.1	-91.5	169.5	0	0	0	107.7
853	D	28.4	Very low	31.8	Very low	171 Å²	171	116.1 Å²	116.1	91%	0.914	68%	0.678	S	S	*	*			trans	-68.6	130.6	-180	-62	-72.8	0	0	0	111.2
854	V	25.4	Very low	32.7	Very low	113 Å²	113	111.4 Å²	111.4	69%	0.685	65%	0.647	S	S	*	*			trans	-114.7	107.1	-179.5	179.7	0	0	0	0	110.2	T856	V854-T856 HydrophobicContact CG1-CG2 4.47Å; V854-T856 PolarHBondContact O-N 3.01Å
855	D	26.3	Very low	33.3	Very low	150 Å²	150	110.2 Å²	110.2	80%	0.802	64%	0.641	S	S	*	*			trans	-58.3	106.1	166.2	-101.8	-39.8	0	0	0	109.8	N857	D855-N857 PolarHBondContact O-N 2.94Å
856	T	30.3	Very low	33.4	Very low	113 Å²	113	106.6 Å²	106.6	69%	0.693	63%	0.627	S	S	*	*			trans	-82.8	59.2	-171.8	27.3	0	0	0	0	112.7	V854 L858	V854-T856 HydrophobicContact CG1-CG2 4.47Å; V854-T856 PolarHBondContact O-N 3.01Å; T856-L858 PolarHBondContact O-N 2.91Å
857	N	32	Very low	33.8	Very low	150 Å²	150	106.6 Å²	106.6	80%	0.802	62%	0.615	S	S	*	*			trans	-71.2	60.7	167.9	-86.9	-56.9	0	0	0	111.9	D855 S859	D855-N857 PolarHBondContact O-N 2.94Å; N857-S859 PolarHBondContact O-N 3.16Å
858	L	38.2	Very low	34.6	Very low	84 Å²	84	100 Å²	100	44%	0.44	58%	0.583	S	S	.	*			trans	-65.2	115	163.7	-101.5	76.7	0	0	0	109.1	K606 T856 L863	K606-L858 PolarHBondContact NZ-O 3.05Å; K606-L858 VanDerWaalsContact NZ-O 3.15Å; T856-L858 PolarHBondContact O-N 2.91Å; L858-L863 HydrophobicContact CB-CD1 4.13Å; L858-L863 HydrophobicContact CB-CG 4.44Å; L858-L863 HydrophobicContact CD2-CD2 3.9Å; L858-L863 HydrophobicContact CD2-CG 4.19Å
859	S	44.8	Very low	35.2	Very low	64 Å²	64	91.9 Å²	91.9	45%	0.448	54%	0.54	S	S	.	.			trans	-50.8	144.8	176.4	177.2	0	0	0	0	111.7	N857 A861 T862	N857-S859 PolarHBondContact O-N 3.16Å; S859-A861 VanDerWaalsContact C-N 3.27Å; S859-A861 PolarHBondContact O-N 2.89Å; S859-T862 PolarHBondContact O-N 3.27Å
860	F	46.9	Very low	36	Very low	25 Å²	25	86.8 Å²	86.8	11%	0.11	50%	0.504	C	S	.	.	H	α-helix	trans	-52.2	-46.9	177.3	176.9	-98.8	0	0	0	111.8	I502 T583 E586 L587 T862 L863 V864	I502-F860 WeakPolarHBondContact O-CD1 3.34Å; I502-F860 WeakPolarHBondContact O-CE1 3.2Å; T583-F860 HydrophobicContact CG2-CD2 4.07Å; T583-F860 HydrophobicContact CG2-CE2 3.64Å; T583-F860 HydrophobicContact CG2-CZ 4.28Å; E586-F860 HydrophobicContact CB-CZ 3.98Å; E586-F860 WeakPolarHBondContact OE2-CZ 3.44Å; L587-F860 HydrophobicContact CD2-CE2 4.26Å; L587-F860 HydrophobicContact CG-CE2 4.26Å; F860-T862 PolarHBondContact O-N 2.8Å; F860-L863 PolarHBondContact O-N 3.06Å; F860-V864 HydrophobicContact CE2-CG2 4.14Å; F860-V864 HydrophobicContact CZ-CG2 4.12Å; F860-V864 PolarHBondContact O-N 2.77Å
861	A	42	Very low	36.6	Very low	42 Å²	42	81.7 Å²	81.7	35%	0.347	47%	0.468	S	S	.	.	H	α-helix	trans	-58.2	-44.8	179.6	0	0	0	0	0	112.3	S859 L863 V864 L865	S859-A861 VanDerWaalsContact C-N 3.27Å; S859-A861 PolarHBondContact O-N 2.89Å; A861-L863 PolarHBondContact O-N 3.43Å; A861-L863 VanDerWaalsContact O-N 3.09Å; A861-V864 PolarHBondContact O-N 2.83Å; A861-L865 HydrophobicContact CB-CD1 3.98Å; A861-L865 HydrophobicContact CB-CG 4.26Å; A861-L865 VanDerWaalsContact O-CB 3.29Å; A861-L865 WeakPolarHBondContact O-CB 3.35Å; A861-L865 WeakPolarHBondContact O-CD1 3.38Å; A861-L865 WeakPolarHBondContact O-CG 3.44Å; A861-L865 PolarHBondContact O-N 2.83Å
862	T	44.3	Very low	37	Very low	98 Å²	98	73.8 Å²	73.8	60%	0.601	43%	0.426	S	S	*	.	H	α-helix	trans	-60.3	-25.7	-176.2	-47.5	0	0	0	0	113.5	S859 F860	S859-T862 PolarHBondContact O-N 3.27Å; F860-T862 PolarHBondContact O-N 2.8Å
863	L	39.9	Very low	37.9	Very low	39 Å²	39	66.3 Å²	66.3	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-93.3	-12	179.1	-70.6	164.4	0	0	0	114	L602 L603 K606 L858 F860 A861	L602-L863 HydrophobicContact CD2-CD1 4.19Å; L602-L863 HydrophobicContact CD2-CD2 4.17Å; L603-L863 HydrophobicContact CD2-CB 4.48Å; K606-L863 HydrophobicContact CD-CD1 4.41Å; L858-L863 HydrophobicContact CB-CD1 4.13Å; L858-L863 HydrophobicContact CB-CG 4.44Å; L858-L863 HydrophobicContact CD2-CD2 3.9Å; L858-L863 HydrophobicContact CD2-CG 4.19Å; F860-L863 PolarHBondContact O-N 3.06Å; A861-L863 PolarHBondContact O-N 3.43Å; A861-L863 VanDerWaalsContact O-N 3.09Å
864	V	47.4	Very low	38.4	Very low	17 Å²	17	58.4 Å²	58.4	10%	0.103	34%	0.344	C	S	.	.	H	α-helix	trans	-123.2	-14.7	-172.1	-174	0	0	0	0	112.8	F860 A861 G866 F868	F860-V864 HydrophobicContact CE2-CG2 4.14Å; F860-V864 HydrophobicContact CZ-CG2 4.12Å; F860-V864 PolarHBondContact O-N 2.77Å; A861-V864 PolarHBondContact O-N 2.83Å; V864-G866 PolarHBondContact O-N 2.83Å; V864-F868 HydrophobicContact CG1-CD2 3.91Å; V864-F868 HydrophobicContact CG1-CE2 4.19Å; V864-F868 VanDerWaalsContact O-CD2 3.28Å; V864-F868 WeakPolarHBondContact O-CD2 3.36Å
865	L	36.4	Very low	39.2	Very low	141 Å²	141	53.5 Å²	53.5	74%	0.738	32%	0.315	S	S	*	.	S	Bend	trans	-59.2	-8.5	-178.7	-88.7	165.5	0	0	0	115.8	A861	A861-L865 HydrophobicContact CB-CD1 3.98Å; A861-L865 HydrophobicContact CB-CG 4.26Å; A861-L865 VanDerWaalsContact O-CB 3.29Å; A861-L865 WeakPolarHBondContact O-CB 3.35Å; A861-L865 WeakPolarHBondContact O-CD1 3.38Å; A861-L865 WeakPolarHBondContact O-CG 3.44Å; A861-L865 PolarHBondContact O-N 2.83Å
866	G	34.6	Very low	40	Very low	45 Å²	45	48.3 Å²	48.3	46%	0.464	29%	0.286	S	S	.	.	S	Bend	trans	-103	110.3	178.9	0	0	0	0	0	114.1	V864 F868	V864-G866 PolarHBondContact O-N 2.83Å; G866-F868 WeakPolarHBondContact O-CD2 3.45Å; G866-F868 WeakPolarHBondContact O-CE2 3.4Å
867	T	34.3	Very low	40.4	Very low	67 Å²	67	43.3 Å²	43.3	41%	0.411	26%	0.257	S	S	.	.	S	Bend	trans	63.9	56.3	162.1	61.3	0	0	0	0	117.3	N593	N593-T867 PolarHBondContact ND2-O 3.49Å; N593-T867 PolarHBondContact ND2-OG1 3.44Å; N593-T867 VanDerWaalsContact ND2-OG1 3.12Å
868	F	44	Very low	40.6	Very low	54 Å²	54	36.6 Å²	36.6	24%	0.237	22%	0.221	C	C	.	.			trans	-125.9	141.1	162.4	-58.6	-78.1	0	0	0	111.9	L589 N593 V864 G866	L589-F868 HydrophobicContact CB-CD1 4.39Å; L589-F868 HydrophobicContact CB-CE1 4.34Å; L589-F868 WeakPolarHBondContact O-CE1 3.41Å; N593-F868 HydrophobicContact CB-CE1 3.52Å; N593-F868 HydrophobicContact CB-CZ 3.7Å; N593-F868 VanDerWaalsContact ND2-CE1 3.35Å; N593-F868 WeakPolarHBondContact ND2-CE1 3.38Å; N593-F868 VanDerWaalsContact ND2-CZ 3.33Å; N593-F868 WeakPolarHBondContact ND2-CZ 3.2Å; V864-F868 HydrophobicContact CG1-CD2 3.91Å; V864-F868 HydrophobicContact CG1-CE2 4.19Å; V864-F868 VanDerWaalsContact O-CD2 3.28Å; V864-F868 WeakPolarHBondContact O-CD2 3.36Å; G866-F868 WeakPolarHBondContact O-CD2 3.45Å; G866-F868 WeakPolarHBondContact O-CE2 3.4Å
869	A	37.1	Very low	40.8	Very low	2 Å²	2	33.4 Å²	33.4	2%	0.017	21%	0.208	C	C	.	.			trans	-130.6	136.3	157	0	0	0	0	0	107.6	R459 P508	R459-A869 VanDerWaalsContact C-CB 3.48Å; R459-A869 WeakPolarHBondContact O-CB 3.49Å; P508-A869 HydrophobicContact CG-CB 3.67Å
870	P	43.6	Very low	40.8	Very low	10 Å²	10	30.5 Å²	30.5	7%	0.065	19%	0.188	C	C	.	.			trans	-65.6	-176.8	161.5	-11	25.7	0	0	0	110.4	H504 F507 P872	H504-P870 WeakPolarHBondContact CD2-CG 3.46Å; H504-P870 WeakPolarHBondContact NE2-CG 3.34Å; F507-P870 HydrophobicContact CD1-CG 4.17Å; F507-P870 HydrophobicContact CE1-CG 4.04Å; P870-P872 VanDerWaalsContact O-CD 3.23Å; P870-P872 WeakPolarHBondContact O-CD 3.3Å
871	M	37	Very low	40.8	Very low	7 Å²	7	30 Å²	30	3%	0.034	19%	0.186	C	C	.	.	S	Bend	trans	-44	116.1	154.9	-105.3	-75.9	-62	0	0	107.8	V461 G873 V874 E876	V461-M871 HydrophobicContact CB-CG 4.35Å; V461-M871 HydrophobicContact CG1-CB 4.22Å; V461-M871 HydrophobicContact CG1-CG 4.05Å; V461-M871 HydrophobicContact CG2-CB 4.43Å; V461-M871 HydrophobicContact CG2-CG 3.6Å; V461-M871 HydrophobicContact CG2-SD 3.45Å; V461-M871 WeakPolarHBondContact CG2-SD 3.45Å; M871-G873 PolarHBondContact O-N 3.13Å; M871-V874 CarbonylContact C-O 2.96Å; M871-V874 HydrophobicContact CB-CB 3.91Å; M871-V874 WeakPolarHBondContact CB-O 3Å; M871-V874 HydrophobicContact CE-CB 3.88Å; M871-V874 HydrophobicContact CE-CG2 3.58Å; M871-V874 HydrophobicContact CG-CB 4.48Å; M871-V874 CarbonylContact O-C 3.52Å; M871-V874 PolarHBondContact O-N 3.41Å; M871-E876 WeakPolarHBondContact CB-O 2.99Å; M871-E876 HydrophobicContact CG-CB 4.43Å; M871-E876 PolarHBondContact N-O 3.44Å
872	P	39.2	Very low	40.9	Very low	1 Å²	1	31.3 Å²	31.3	1%	0.006	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	132.1	175.8	-15.9	29.9	0	0	0	106.9	T436 F438 N509 F511 P870 V874	T436-P872 HydrophobicContact CG2-CG 4.04Å; F438-P872 HydrophobicContact CE1-CG 4Å; F438-P872 HydrophobicContact CZ-CG 3.98Å; N509-P872 HydrophobicContact CB-CB 3.75Å; N509-P872 CarbonylContact O-C 3.5Å; N509-P872 WeakPolarHBondContact O-CA 3.36Å; N509-P872 WeakPolarHBondContact O-CB 3.33Å; F511-P872 HydrophobicContact CD2-CB 4.35Å; F511-P872 WeakPolarHBondContact CD2-O 3.03Å; F511-P872 HydrophobicContact CE2-CB 3.7Å; F511-P872 HydrophobicContact CE2-CG 4.3Å; F511-P872 WeakPolarHBondContact CE2-O 3.39Å; F511-P872 HydrophobicContact CZ-CB 4.32Å; P870-P872 VanDerWaalsContact O-CD 3.23Å; P870-P872 WeakPolarHBondContact O-CD 3.3Å; P872-V874 VanDerWaalsContact C-N 3.34Å; P872-V874 PolarHBondContact O-N 3.45Å
873	G	43.3	Very low	40.3	Very low	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-24.8	-169.2	0	0	0	0	0	117.5	N509 S514 E515 L516 M871	N509-G873 PolarHBondContact O-N 3.24Å; S514-G873 CarbonylContact C-O 3.54Å; S514-G873 VanDerWaalsContact CB-C 3.49Å; S514-G873 WeakPolarHBondContact CB-O 3.4Å; S514-G873 WeakPolarHBondContact OG-CA 3.38Å; S514-G873 PolarHBondContact OG-O 3.18Å; E515-G873 CarbonylContact C-O 3.56Å; E515-G873 WeakPolarHBondContact CA-O 3.11Å; E515-G873 PolarHBondContact N-O 3.25Å; L516-G873 VanDerWaalsContact CD2-CA 3.43Å; M871-G873 PolarHBondContact O-N 3.13Å
874	V	39.2	Very low	40	Very low	4 Å²	4	25.3 Å²	25.3	2%	0.024	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-132.9	130.4	-175.2	-171.5	0	0	0	0	110.5	P167 R168 R169 M871 P872 E876	P167-V874 HydrophobicContact CB-CG1 3.75Å; R168-V874 WeakPolarHBondContact O-CG2 3.26Å; R169-V874 HydrophobicContact CG-CG2 4.39Å; M871-V874 CarbonylContact C-O 2.96Å; M871-V874 HydrophobicContact CB-CB 3.91Å; M871-V874 WeakPolarHBondContact CB-O 3Å; M871-V874 HydrophobicContact CE-CB 3.88Å; M871-V874 HydrophobicContact CE-CG2 3.58Å; M871-V874 HydrophobicContact CG-CB 4.48Å; M871-V874 CarbonylContact O-C 3.52Å; M871-V874 PolarHBondContact O-N 3.41Å; P872-V874 VanDerWaalsContact C-N 3.34Å; P872-V874 PolarHBondContact O-N 3.45Å; V874-E876 PolarHBondContact O-N 3.37Å
875	T	42.5	Very low	39.4	Very low	11 Å²	11	27.4 Å²	27.4	7%	0.067	18%	0.176	C	C	.	.			trans	-78	32	-177.7	56.9	0	0	0	0	115.9	F507 V517 F582 G877	F507-T875 HydrophobicContact CE1-CG2 4.14Å; V517-T875 HydrophobicContact CB-CG2 3.61Å; V517-T875 HydrophobicContact CG2-CG2 3.92Å; V517-T875 WeakPolarHBondContact CG2-OG1 3.27Å; F582-T875 WeakPolarHBondContact CZ-OG1 3.48Å; T875-G877 PolarHBondContact O-N 3.48Å
876	E	43.2	Very low	39.2	Very low	40 Å²	40	23.3 Å²	23.3	19%	0.187	15%	0.154	C	C	.	.			trans	-78.6	97.6	153.5	-86.7	-179.9	-143.4	0	0	109.9	P167 R169 M871 V874	P167-E876 WeakPolarHBondContact CG-OE1 3.49Å; R169-E876 IonicContact CZ-OE1 2.78Å; R169-E876 IonicContact CZ-OE2 3.31Å; R169-E876 IonicContact NH2-OE1 3.47Å; R169-E876 PolarHBondContact NH2-OE1 3.37Å; R169-E876 IonicContact NH2-OE2 3.56Å; R169-E876 PolarHBondContact NH2-OE2 2.8Å; M871-E876 WeakPolarHBondContact CB-O 2.99Å; M871-E876 HydrophobicContact CG-CB 4.43Å; M871-E876 PolarHBondContact N-O 3.44Å; V874-E876 PolarHBondContact O-N 3.37Å
877	G	38.1	Very low	38.9	Very low	8 Å²	8	24 Å²	24	8%	0.082	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-55.1	138.9	133.4	0	0	0	0	0	109.3	T875	T875-G877 PolarHBondContact O-N 3.48Å
878	P	36.1	Very low	38.6	Very low	10 Å²	10	27 Å²	27	7%	0.065	16%	0.16	C	C	.	.	S	Bend	trans	-55.8	159.9	-175.3	15.7	-27.6	0	0	0	112.8	R452 L456 L589 L880	R452-P878 HydrophobicContact CG-CG 4.11Å; R452-P878 VanDerWaalsContact NH2-C 3.32Å; R452-P878 PolarHBondContact NH2-O 3.4Å; L456-P878 HydrophobicContact CD2-CG 4.3Å; L589-P878 HydrophobicContact CD2-CG 3.85Å; P878-L880 PolarHBondContact O-N 3.49Å
879	G	43.6	Very low	37.6	Very low	16 Å²	16	27.8 Å²	27.8	17%	0.165	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-49.6	135.2	-166.7	0	0	0	0	0	112.7	R452 W881 E882	R452-G879 PolarHBondContact NH1-O 3.01Å; R452-G879 PolarHBondContact NH2-O 3.41Å; G879-W881 PolarHBondContact O-N 3.07Å; G879-E882 WeakPolarHBondContact CA-OE1 3.45Å; G879-E882 PolarHBondContact N-OE1 3.21Å; G879-E882 PolarHBondContact N-OE2 3.04Å; G879-E882 VanDerWaalsContact O-CD 3.25Å; G879-E882 PolarHBondContact O-N 3.4Å
880	L	43.2	Very low	37	Very low	4 Å²	4	32.1 Å²	32.1	2%	0.021	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-54.8	-32.2	-164.9	-112.1	88.4	0	0	0	114.2	F94 I584 K585 L588 T618 P619 P878	F94-L880 HydrophobicContact CD1-CD2 4.26Å; F94-L880 HydrophobicContact CE1-CD1 3.4Å; F94-L880 VanDerWaalsContact CE1-CD1 3.4Å; F94-L880 HydrophobicContact CE1-CD2 3.17Å; F94-L880 HydrophobicContact CE1-CG 3.79Å; F94-L880 HydrophobicContact CZ-CD1 3.77Å; F94-L880 HydrophobicContact CZ-CD2 3.42Å; F94-L880 VanDerWaalsContact CZ-CD2 3.42Å; F94-L880 HydrophobicContact CZ-CG 4.15Å; I584-L880 HydrophobicContact CG2-CD2 4.18Å; K585-L880 HydrophobicContact CD-CD1 4.04Å; K585-L880 VanDerWaalsContact CE-CD1 3.48Å; K585-L880 HydrophobicContact CG-CD1 3.39Å; K585-L880 HydrophobicContact CG-CG 4.33Å; L588-L880 HydrophobicContact CD1-CD2 3.47Å; L588-L880 VanDerWaalsContact CD1-CD2 3.47Å; L588-L880 HydrophobicContact CD1-CG 4.09Å; T618-L880 HydrophobicContact CG2-CD2 4.43Å; P619-L880 HydrophobicContact CG-CB 4.3Å; P619-L880 HydrophobicContact CG-CD2 4.32Å; P619-L880 WeakPolarHBondContact CG-O 3.32Å; P878-L880 PolarHBondContact O-N 3.49Å
881	W	47	Very low	36.2	Very low	15 Å²	15	37.9 Å²	37.9	6%	0.057	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-99.6	-11.2	-155.2	-46.8	90.1	0	0	0	112.5	T136 I141 V617 T618 P619 G879 A883 A884	T136-W881 WeakPolarHBondContact OG1-CZ3 3.3Å; I141-W881 HydrophobicContact CD1-CB 3.41Å; I141-W881 VanDerWaalsContact CD1-CB 3.41Å; I141-W881 HydrophobicContact CD1-CG 4.4Å; I141-W881 HydrophobicContact CG1-CB 4.39Å; I141-W881 HydrophobicContact CG2-CB 3.65Å; I141-W881 HydrophobicContact CG2-CD2 3.88Å; I141-W881 HydrophobicContact CG2-CG 3.46Å; I141-W881 VanDerWaalsContact CG2-CG 3.46Å; V617-W881 VanDerWaalsContact C-CH2 3.46Å; V617-W881 HydrophobicContact CB-CH2 4.42Å; V617-W881 HydrophobicContact CG1-CH2 4.06Å; V617-W881 VanDerWaalsContact O-CH2 3.22Å; V617-W881 WeakPolarHBondContact O-CH2 3.43Å; V617-W881 WeakPolarHBondContact O-CZ2 3.42Å; T618-W881 WeakPolarHBondContact O-CZ3 3.42Å; P619-W881 HydrophobicContact CB-CE3 4.32Å; P619-W881 HydrophobicContact CG-CD2 4.12Å; P619-W881 HydrophobicContact CG-CE3 3.78Å; P619-W881 HydrophobicContact CG-CG 4.46Å; P619-W881 HydrophobicContact CG-CZ3 4.45Å; G879-W881 PolarHBondContact O-N 3.07Å; W881-A883 PolarHBondContact O-N 3.35Å; W881-A883 VanDerWaalsContact O-N 3.14Å; W881-A884 WeakPolarHBondContact O-CB 3.33Å; W881-A884 PolarHBondContact O-N 2.95Å; W881-A884 VanDerWaalsContact O-N 3.08Å
882	E	44.5	Very low	35.7	Very low	68 Å²	68	41 Å²	41	32%	0.318	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-78	15.6	168.4	-20.9	98.8	-166.6	0	0	112.4	F448 R452 G879	F448-E882 HydrophobicContact CD1-CG 4.4Å; F448-E882 HydrophobicContact CE1-CB 4.34Å; F448-E882 HydrophobicContact CE1-CG 3.93Å; R452-E882 IonicContact CZ-OE2 3.64Å; R452-E882 IonicContact NE-OE2 3.72Å; R452-E882 VanDerWaalsContact NH1-CB 3.29Å; R452-E882 PolarHBondContact NH1-O 3.11Å; R452-E882 IonicContact NH1-OE2 3.52Å; R452-E882 PolarHBondContact NH1-OE2 3.18Å; R452-E882 IonicContact NH2-OE2 2.73Å; G879-E882 WeakPolarHBondContact CA-OE1 3.45Å; G879-E882 PolarHBondContact N-OE1 3.21Å; G879-E882 PolarHBondContact N-OE2 3.04Å; G879-E882 VanDerWaalsContact O-CD 3.25Å; G879-E882 PolarHBondContact O-N 3.4Å
883	A	31.2	Very low	35.1	Very low	8 Å²	8	48.9 Å²	48.9	7%	0.066	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-104.7	3.5	164.3	0	0	0	0	0	112.5	L592 W881	L592-A883 HydrophobicContact CB-CB 4.46Å; W881-A883 PolarHBondContact O-N 3.35Å; W881-A883 VanDerWaalsContact O-N 3.14Å
884	A	35.1	Very low	34.2	Very low	4 Å²	4	58 Å²	58	3%	0.033	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-71.7	-25.1	-179.8	0	0	0	0	0	113.8	E138 W881 L886 L887	E138-A884 HydrophobicContact CG-CB 4.09Å; E138-A884 WeakPolarHBondContact OE1-CB 3.09Å; W881-A884 WeakPolarHBondContact O-CB 3.33Å; W881-A884 PolarHBondContact O-N 2.95Å; W881-A884 VanDerWaalsContact O-N 3.08Å; A884-L886 PolarHBondContact O-N 3.41Å; A884-L887 HydrophobicContact CB-CD1 3.94Å; A884-L887 WeakPolarHBondContact O-CB 3.36Å; A884-L887 WeakPolarHBondContact O-CD1 3.41Å; A884-L887 WeakPolarHBondContact O-CG 3.32Å; A884-L887 PolarHBondContact O-N 3.34Å
885	G	34.5	Very low	33.4	Very low	61 Å²	61	63.3 Å²	63.3	63%	0.629	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63.4	-5.1	178.9	0	0	0	0	0	115.3	E138	E138-G885 WeakPolarHBondContact OE1-CA 3.44Å; E138-G885 PolarHBondContact OE1-N 3.09Å; E138-G885 VanDerWaalsContact OE1-N 3.09Å
886	L	31.6	Very low	32.6	Very low	55 Å²	55	71.8 Å²	71.8	29%	0.288	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-103.3	27.7	171.2	-96.5	161	0	0	0	112.3	K591 L592 A884	K591-L886 PolarHBondContact NZ-O 2.89Å; L592-L886 HydrophobicContact CD1-CD1 4.31Å; A884-L886 PolarHBondContact O-N 3.41Å
887	L	28.5	Very low	31.8	Very low	59 Å²	59	77.3 Å²	77.3	31%	0.309	45%	0.447	S	S	.	.			trans	-93.1	-11.9	176.4	-74.8	168.2	0	0	0	114.2	P619 V620 A884 V889	P619-L887 WeakPolarHBondContact O-CD1 3.23Å; V620-L887 HydrophobicContact CG1-CD2 4.41Å; A884-L887 HydrophobicContact CB-CD1 3.94Å; A884-L887 WeakPolarHBondContact O-CB 3.36Å; A884-L887 WeakPolarHBondContact O-CD1 3.41Å; A884-L887 WeakPolarHBondContact O-CG 3.32Å; A884-L887 PolarHBondContact O-N 3.34Å; L887-V889 VanDerWaalsContact C-N 3.28Å; L887-V889 PolarHBondContact O-N 3.08Å
888	D	27.6	Very low	31.2	Very low	130 Å²	130	85.2 Å²	85.2	70%	0.695	49%	0.486	S	S	*	.			trans	-84.4	74.8	173.5	-158.3	5.4	0	0	0	112.2	S890	D888-S890 PolarHBondContact OD1-OG 2.72Å; D888-S890 VanDerWaalsContact OD1-OG 3.09Å
889	V	24.3	Very low	30.6	Very low	71 Å²	71	91.8 Å²	91.8	43%	0.43	52%	0.521	S	S	.	.			trans	-124.3	52.7	161.2	-168.7	0	0	0	0	107.1	L887	L887-V889 VanDerWaalsContact C-N 3.28Å; L887-V889 PolarHBondContact O-N 3.08Å
890	S	23.5	Very low	29.7	Very low	93 Å²	93	98.8 Å²	98.8	65%	0.65	55%	0.554	S	S	*	*			trans	-113.6	15.4	-173.9	67.8	0	0	0	0	114.9	D888 S892	D888-S890 PolarHBondContact OD1-OG 2.72Å; D888-S890 VanDerWaalsContact OD1-OG 3.09Å; S890-S892 PolarHBondContact O-N 3.46Å
891	T	27	Very low	28.9	Very low	131 Å²	131	105.2 Å²	105.2	80%	0.804	59%	0.593	S	S	*	*	S	Bend	trans	-95.9	57.7	163.7	45.4	0	0	0	0	111.1
892	S	26.3	Very low	27.8	Very low	71 Å²	71	109.4 Å²	109.4	50%	0.497	62%	0.62	S	S	.	*	S	Bend	trans	-151.5	134.5	172.8	-65.8	0	0	0	0	109.7	S890	S890-S892 PolarHBondContact O-N 3.46Å
893	I	26.8	Very low	26.8	Very low	167 Å²	167	112.5 Å²	112.5	86%	0.856	64%	0.639	S	S	*	*	S	Bend	trans	65.9	63.9	177.2	-38.6	176	0	0	0	114.7
894	Q	24.1	Very low	26.5	Very low	193 Å²	193	121.6 Å²	121.6	90%	0.902	68%	0.678	S	S	*	*				-164.6	84.5	127.5	-111.8	179.9	-13.1	0	0	110.9
895	S	23.3	Very low	26	Very low	115 Å²	115	129 Å²	129	80%	0.804	72%	0.716	S	S	*	*			trans	-154.3	70.3	175.9	60.9	0	0	0	0	110.7
896	E	25.8	Very low	25.5	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.883	71%	0.713	S	S	*	*			trans	-107.3	149.3	153.7	-69.2	-174.4	133	0	0	107.2
897	D	25.6	Very low	25.2	Very low	156 Å²	156	132.6 Å²	132.6	83%	0.834	74%	0.736	S	S	*	*	S	Bend	trans	59.8	62.2	-178.4	-64.6	-16.3	0	0	0	117.9
898	L	26.3	Very low	25	Very low	173 Å²	173	140.5 Å²	140.5	91%	0.906	76%	0.763	S	S	*	*				-159.9	146.6	101.6	-127.3	72.9	0	0	0	111.6
899	N	23.2	Very low	24.8	Very low	148 Å²	148	140.1 Å²	140.1	79%	0.791	76%	0.761	S	S	*	*			trans	-120.8	161	-171.9	-103.6	-47.5	0	0	0	112.7
900	L	25.4	Very low	25	Very low	164 Å²	164	146.4 Å²	146.4	86%	0.859	78%	0.778	S	S	*	*			trans	73.9	134.9	176.9	-53.5	133.2	0	0	0	113.8
901	V	25.8	Very low	25	Very low	138 Å²	138	149 Å²	149	84%	0.836	79%	0.785	S	S	*	*			cis	-117.8	158.1	15	176.1	0	0	0	0	111.8
902	T	24	Very low	25.1	Very low	104 Å²	104	150.8 Å²	150.8	64%	0.638	78%	0.778	S	S	*	*			trans	-94.2	174.8	-176.2	51.7	0	0	0	0	113.9
903	D	23.1	Very low	25	Very low	133 Å²	133	154 Å²	154	71%	0.711	79%	0.79	S	S	*	*			trans	66.1	106.9	160.3	-43.2	-53	0	0	0	116.1
904	F	24	Very low	25	Very low	199 Å²	199	152.6 Å²	152.6	87%	0.873	78%	0.783	S	S	*	*				-158.2	150.5	69.4	-119.4	-96.3	0	0	0	113.5
905	D	25.8	Very low	25	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	78%	0.775	S	S	*	*			trans	-94.4	123.5	167.4	-171.2	7.1	0	0	0	109.4
906	A	23.1	Very low	25.1	Very low	67 Å²	67	151.5 Å²	151.5	55%	0.554	78%	0.776	S	S	*	*			trans	-152	105	-170.5	0	0	0	0	0	113.9
907	T	26.1	Very low	25.2	Very low	125 Å²	125	149.8 Å²	149.8	77%	0.767	77%	0.774	S	S	*	*			trans	-42.8	128.2	168.5	-42.3	0	0	0	0	114.4	N909	T907-N909 HydrophobicContact CG2-CB 4.34Å
908	Y	24.5	Very low	25.2	Very low	225 Å²	225	147.5 Å²	147.5	88%	0.882	77%	0.765	S	S	*	*			trans	-126.5	89.5	159.2	-87.6	-78.3	0	0	0	111.9
909	N	23.6	Very low	25.2	Very low	122 Å²	122	150 Å²	150	65%	0.652	76%	0.763	S	S	*	*			trans	-114.4	126.6	168.4	175.5	32.1	0	0	0	107.5	T907	T907-N909 HydrophobicContact CG2-CB 4.34Å
910	Y	27.2	Very low	25.2	Very low	202 Å²	202	149.3 Å²	149.3	79%	0.792	76%	0.759	S	S	*	*			trans	-164	117.5	158.5	-93.3	-59.8	0	0	0	111.7
911	D	24.5	Very low	25.1	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	75%	0.754	S	S	*	*			trans	-85.6	155	144.3	-85.3	-56.1	0	0	0	108.9
912	Y	28.1	Very low	25.1	Very low	169 Å²	169	146.8 Å²	146.8	66%	0.663	75%	0.75	S	S	*	*			trans	-113.5	105.5	165.6	-97.4	-81.3	0	0	0	110.6	I914 K1159	Y912-I914 HydrophobicContact CD1-CD1 4.04Å; Y912-I914 HydrophobicContact CD1-CG1 4.26Å; Y912-I914 HydrophobicContact CE1-CD1 3.86Å; Y912-K1159 PolarHBondContact O-NZ 2.92Å; Y912-K1159 VanDerWaalsContact O-NZ 3.09Å
913	D	25.7	Very low	25.2	Very low	140 Å²	140	147.4 Å²	147.4	75%	0.749	76%	0.759	S	S	*	*			trans	-121.4	127.4	147.9	-84.8	-12.9	0	0	0	107.4	K1159	D913-K1159 IonicContact OD1-NZ 3.92Å; D913-K1159 PolarHBondContact OD1-NZ 2.83Å
914	I	25.2	Very low	25.3	Very low	137 Å²	137	148.7 Å²	148.7	70%	0.703	77%	0.766	S	S	*	*			trans	-130	118.2	166.5	-67.8	178.9	0	0	0	106.3	Y912	Y912-I914 HydrophobicContact CD1-CD1 4.04Å; Y912-I914 HydrophobicContact CD1-CG1 4.26Å; Y912-I914 HydrophobicContact CE1-CD1 3.86Å
915	G	25.3	Very low	25.3	Very low	72 Å²	72	143.2 Å²	143.2	74%	0.742	75%	0.752	S	S	*	*			trans	-95.9	148.7	165.3	0	0	0	0	0	110.2
916	Y	24.7	Very low	25.1	Very low	212 Å²	212	144.5 Å²	144.5	83%	0.831	75%	0.751	S	S	*	*			trans	-148.2	99.1	170.4	-142.2	-78.4	0	0	0	109.3
917	D	27.3	Very low	25.1	Very low	154 Å²	154	149.5 Å²	149.5	82%	0.824	76%	0.762	S	S	*	*			trans	-95.1	132.5	166	-76	-49.7	0	0	0	108.6
918	T	26.5	Very low	25.9	Very low	108 Å²	108	148.1 Å²	148.1	66%	0.663	76%	0.756	S	S	*	*				170.8	122.8	124.5	40.1	0	0	0	0	112.5
919	W	25.8	Very low	25.9	Very low	225 Å²	225	145.5 Å²	145.5	85%	0.852	75%	0.751	S	S	*	*			trans	70.9	148.4	147.5	-59.5	33.4	0	0	0	116.8
920	D	24	Very low	25.9	Very low	133 Å²	133	144.2 Å²	144.2	71%	0.711	75%	0.752	S	S	*	*			cis	-149.5	162.1	-3.1	-144.2	-8.8	0	0	0	113.9
921	D	23.7	Very low	25.8	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	76%	0.756	S	S	*	*			trans	32.4	162.4	155.3	-146.4	14.6	0	0	0	125.3
922	S	24.1	Very low	25.9	Very low	108 Å²	108	147.2 Å²	147.2	76%	0.755	76%	0.763	S	S	*	*			trans	88.1	114.2	158.4	74.3	0	0	0	0	119.1
923	S	27.5	Very low	25.7	Very low	118 Å²	118	146 Å²	146	83%	0.825	77%	0.769	S	S	*	*			trans	-97.3	137.1	165	57.2	0	0	0	0	111
924	D	24.4	Very low	25.8	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	76%	0.762	S	S	*	*			trans	-152.9	-174.6	142.7	-141.7	-29.6	0	0	0	112.2
925	S	23.5	Very low	25.8	Very low	85 Å²	85	141.5 Å²	141.5	59%	0.594	76%	0.756	S	S	*	*			trans	-145.4	165.9	-146.8	58.8	0	0	0	0	115.4
926	F	22.9	Very low	26	Very low	186 Å²	186	144.5 Å²	144.5	82%	0.816	75%	0.745	S	S	*	*			trans	70	104.2	172.9	-72.5	-87.1	0	0	0	120.2
927	E	22	Very low	26.6	Very low	171 Å²	171	138.2 Å²	138.2	80%	0.799	73%	0.725	S	S	*	*				35.4	158.2	113	-76.4	-143.7	155.2	0	0	123.1
928	P	43.5	Very low	27.2	Very low	96 Å²	96	133 Å²	133	62%	0.623	70%	0.695	S	S	*	*			cis	-143.1	-171.2	-30.5	36.6	-16.2	0	0	0	114.9
929	Q	23.5	Very low	28.2	Very low	170 Å²	170	129.2 Å²	129.2	79%	0.794	67%	0.673	S	S	*	*			trans	110.9	92.8	155.1	-56	-157	3.7	0	0	120.4
930	S	24.9	Very low	29.4	Very low	96 Å²	96	118.6 Å²	118.6	67%	0.671	63%	0.633	S	S	*	*				56.2	128.8	125.9	85.9	0	0	0	0	119.8
931	R	25	Very low	30.7	Very low	232 Å²	232	112.4 Å²	112.4	88%	0.875	60%	0.6	S	S	*	*			cis	-167.6	127.8	43.2	-67.6	177.7	-177.6	-167.7	-0.2	111.2
932	L	27	Very low	32	Very low	179 Å²	179	105.7 Å²	105.7	94%	0.937	56%	0.564	S	S	*	*			trans	-161	137.9	130.3	-114.8	165.6	0	0	0	108.3
933	N	23.2	Very low	33.4	Very low	145 Å²	145	101.8 Å²	101.8	78%	0.775	54%	0.535	S	S	*	.			trans	-121.1	151.2	-163	-137.5	-11.9	0	0	0	111
934	S	27.4	Very low	35	Very low	86 Å²	86	96.5 Å²	96.5	60%	0.601	50%	0.499	S	S	*	.			trans	48.2	101.5	157.6	60.7	0	0	0	0	119.1
935	V	25	Very low	36.6	Very low	95 Å²	95	89.8 Å²	89.8	58%	0.576	46%	0.463	S	S	*	.				-115.1	117.4	118.1	176	0	0	0	0	106.8	L937	V935-L937 HydrophobicContact CG1-CD1 4.12Å; V935-L937 HydrophobicContact CG1-CG 4.41Å
936	R	30.1	Very low	38.2	Very low	136 Å²	136	85.8 Å²	85.8	51%	0.513	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-102.6	119.5	167.7	-63.4	-179.1	177.3	-166.5	-2.3	106.3	H956	R936-H956 WeakPolarHBondContact CD-NE2 3.27Å; R936-H956 WeakPolarHBondContact CG-NE2 3.36Å; R936-H956 PolarHBondContact NE-NE2 2.99Å
937	L	37.4	Very low	40.6	Very low	79 Å²	79	79.2 Å²	79.2	41%	0.414	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-80	151.2	176	-66.4	89.1	0	0	0	109.4	V935 Q951 T1094	V935-L937 HydrophobicContact CG1-CD1 4.12Å; V935-L937 HydrophobicContact CG1-CG 4.41Å; L937-Q951 PolarHBondContact O-OE1 2.82Å; L937-T1094 VanDerWaalsContact CD2-O 3.3Å; L937-T1094 WeakPolarHBondContact CD2-O 3.37Å
938	F	39.4	Very low	43.3	Very low	46 Å²	46	71.1 Å²	71.1	20%	0.202	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-90.3	136	157.1	-82.4	-104.6	0	0	0	107.5	P953 F1110 Q1111	F938-P953 HydrophobicContact CD1-CB 4.32Å; F938-P953 HydrophobicContact CD1-CG 4.36Å; F938-P953 HydrophobicContact CD2-CB 4.21Å; F938-P953 HydrophobicContact CE1-CB 3.89Å; F938-P953 HydrophobicContact CE1-CG 3.54Å; F938-P953 HydrophobicContact CE2-CB 3.75Å; F938-P953 HydrophobicContact CE2-CG 4.05Å; F938-P953 HydrophobicContact CZ-CB 3.61Å; F938-P953 HydrophobicContact CZ-CG 3.38Å; F938-F1110 VanDerWaalsContact CE1-O 3.3Å; F938-F1110 WeakPolarHBondContact CE1-O 3.26Å; F938-Q1111 VanDerWaalsContact CE2-O 3.29Å; F938-Q1111 WeakPolarHBondContact CE2-O 3.42Å; F938-Q1111 WeakPolarHBondContact CZ-O 3.28Å
939	S	48.4	Very low	44.8	Very low	28 Å²	28	67.3 Å²	67.3	20%	0.196	34%	0.344	C	S	.	.			trans	-117.9	140.7	164.6	-177.3	0	0	0	0	109.4	Q951 I1093	S939-Q951 VanDerWaalsContact O-CB 3.32Å; S939-Q951 WeakPolarHBondContact O-CB 3.41Å; S939-Q951 PolarHBondContact O-N 3.46Å; S939-I1093 WeakPolarHBondContact CA-O 3.46Å
940	S	49.6	Very low	47.4	Very low	1 Å²	1	59.4 Å²	59.4	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	135	168.7	65.1	0	0	0	0	111.9	V949 Y1092 I1093 Q1111	S940-V949 CarbonylContact C-O 3.56Å; S940-V949 WeakPolarHBondContact CA-O 3.4Å; S940-Y1092 WeakPolarHBondContact O-CA 3.44Å; S940-I1093 PolarHBondContact N-O 2.86Å; S940-I1093 PolarHBondContact O-N 3.4Å; S940-Q1111 PolarHBondContact OG-NE2 2.92Å; S940-Q1111 VanDerWaalsContact OG-NE2 3.13Å
941	S	52.8	Low	49.6	Very low	4 Å²	4	57.2 Å²	57.2	3%	0.028	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	169	-170.9	66.2	0	0	0	0	114.2	F948 V949 F1091	S941-F948 VanDerWaalsContact O-CA 3.25Å; S941-F948 WeakPolarHBondContact O-CA 3.5Å; S941-V949 PolarHBondContact N-O 3.41Å; S941-V949 PolarHBondContact O-N 2.97Å; S941-V949 WeakPolarHBondContact OG-CB 3.15Å; S941-F1091 CarbonylContact C-O 3.58Å; S941-F1091 WeakPolarHBondContact CA-O 3.47Å
942	V	51	Low	51.7	Low	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.4	171.1	67.6	0	0	0	0	113.8	P946 H947 F948 F1004 G1090 F1091	V942-P946 HydrophobicContact CG2-CB 3.46Å; V942-P946 VanDerWaalsContact CG2-CB 3.46Å; V942-H947 WeakPolarHBondContact CA-O 3.28Å; V942-F948 HydrophobicContact CB-CD1 3.6Å; V942-F948 HydrophobicContact CB-CE1 3.63Å; V942-F948 HydrophobicContact CB-CG 4.38Å; V942-F948 HydrophobicContact CB-CZ 4.4Å; V942-F948 HydrophobicContact CG1-CE1 4.31Å; V942-F948 HydrophobicContact CG2-CD1 3.54Å; V942-F948 HydrophobicContact CG2-CD2 4.27Å; V942-F948 HydrophobicContact CG2-CE1 3.35Å; V942-F948 HydrophobicContact CG2-CE2 4.08Å; V942-F948 HydrophobicContact CG2-CG 4.01Å; V942-F948 HydrophobicContact CG2-CZ 3.62Å; V942-F1004 HydrophobicContact CB-CE2 4.3Å; V942-F1004 HydrophobicContact CG1-CD2 4Å; V942-F1004 HydrophobicContact CG1-CE2 3.57Å; V942-F1004 HydrophobicContact CG1-CZ 4.44Å; V942-F1004 HydrophobicContact CG2-CE2 3.74Å; V942-G1090 VanDerWaalsContact O-CA 3.31Å; V942-G1090 WeakPolarHBondContact O-CA 3.2Å; V942-F1091 HydrophobicContact CG1-CB 4.12Å; V942-F1091 PolarHBondContact N-O 3.21Å
943	D	53.5	Low	52.9	Low	26 Å²	26	38.8 Å²	38.8	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.5	179.2	-98	-47.7	0	0	0	113.2	H947 H1076 H1088 Y1092 K1154	D943-H947 PolarHBondContact N-O 2.94Å; D943-H947 WeakPolarHBondContact O-CB 3.45Å; D943-H947 PolarHBondContact O-N 2.88Å; D943-H1076 IonicContact OD1-CD2 3.85Å; D943-H1076 PolarHBondContact OD1-CD2 3.11Å; D943-H1076 VanDerWaalsContact OD1-CD2 3.25Å; D943-H1076 IonicContact OD1-NE2 2.75Å; D943-H1076 PolarHBondContact OD1-NE2 2.93Å; D943-H1088 IonicContact OD1-NE2 2.68Å; D943-H1088 PolarHBondContact OD1-NE2 3.1Å; D943-Y1092 PolarHBondContact OD2-OH 2.83Å; D943-K1154 IonicContact OD1-NZ 3.86Å; D943-K1154 PolarHBondContact OD1-NZ 2.87Å; D943-K1154 VanDerWaalsContact OD2-CE 3.3Å; D943-K1154 WeakPolarHBondContact OD2-CE 3.45Å; D943-K1154 IonicContact OD2-NZ 3.6Å; D943-K1154 PolarHBondContact OD2-NZ 3.12Å
944	G	61.4	Low	54.5	Low	6 Å²	6	37 Å²	37	6%	0.062	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-133.9	167.9	0	0	0	0	0	116.5	P946 T1002 Y1003	G944-P946 WeakPolarHBondContact O-CA 3.4Å; G944-P946 VanDerWaalsContact O-CD 3.25Å; G944-P946 WeakPolarHBondContact O-CD 3.5Å; G944-P946 VanDerWaalsContact O-N 3.11Å; G944-T1002 CarbonylContact C-O 3.58Å; G944-Y1003 VanDerWaalsContact CA-CD1 3.46Å; G944-Y1003 VanDerWaalsContact CA-CE1 3.41Å
945	D	56.8	Low	56.1	Low	19 Å²	19	35.7 Å²	35.7	10%	0.102	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	93.8	176.6	-177	28	0	0	0	107.7	H947 T962 R1001 T1002	D945-H947 PolarHBondContact O-N 2.93Å; D945-T962 VanDerWaalsContact O-CG2 3.24Å; D945-T962 WeakPolarHBondContact O-CG2 3.12Å; D945-R1001 HydrophobicContact CB-CB 3.86Å; D945-R1001 HydrophobicContact CB-CG 3.84Å; D945-T1002 VanDerWaalsContact CA-O 3.27Å; D945-T1002 WeakPolarHBondContact CA-O 3.47Å; D945-T1002 PolarHBondContact N-O 3.26Å
946	P	58.4	Low	58	Low	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn		-65.5	107.8	-114.1	9.9	-26.4	0	0	0	112.3	V942 G944 F948 T962 V963 L987 T1002 F1004	V942-P946 HydrophobicContact CG2-CB 3.46Å; V942-P946 VanDerWaalsContact CG2-CB 3.46Å; G944-P946 WeakPolarHBondContact O-CA 3.4Å; G944-P946 VanDerWaalsContact O-CD 3.25Å; G944-P946 WeakPolarHBondContact O-CD 3.5Å; G944-P946 VanDerWaalsContact O-N 3.11Å; P946-F948 HydrophobicContact CB-CE2 3.69Å; P946-F948 HydrophobicContact CB-CZ 3.81Å; P946-F948 HydrophobicContact CG-CE2 4.24Å; P946-F948 HydrophobicContact CG-CZ 4.44Å; P946-F948 WeakPolarHBondContact O-CD2 3.5Å; P946-F948 WeakPolarHBondContact O-CE2 3.17Å; P946-F948 PolarHBondContact O-N 3.06Å; P946-T962 VanDerWaalsContact O-CA 3.3Å; P946-T962 WeakPolarHBondContact O-CA 3.31Å; P946-V963 VanDerWaalsContact CD-O 3.24Å; P946-V963 WeakPolarHBondContact CD-O 3.36Å; P946-V963 VanDerWaalsContact CG-O 3.29Å; P946-V963 WeakPolarHBondContact CG-O 3.3Å; P946-V963 PolarHBondContact O-N 3.13Å; P946-L987 HydrophobicContact CG-CD2 4.41Å; P946-T1002 VanDerWaalsContact CD-OG1 3.26Å; P946-T1002 WeakPolarHBondContact CD-OG1 3.4Å; P946-F1004 HydrophobicContact CB-CE2 4.06Å
947	H	72.3	Confident	60	Low	49 Å²	49	33.9 Å²	33.9	23%	0.227	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	103.6	179.5	-165.2	56.7	0	0	0	108.7	V942 D943 D945 F961 T962	V942-H947 WeakPolarHBondContact CA-O 3.28Å; D943-H947 PolarHBondContact N-O 2.94Å; D943-H947 WeakPolarHBondContact O-CB 3.45Å; D943-H947 PolarHBondContact O-N 2.88Å; D945-H947 PolarHBondContact O-N 2.93Å; H947-F961 CarbonylContact C-O 3.5Å; H947-F961 WeakPolarHBondContact CA-O 3.48Å; H947-F961 PolarHBondContact ND1-O 3.49Å; H947-F961 VanDerWaalsContact ND1-O 3.09Å; H947-T962 PolarHBondContact ND1-OG1 3.03Å
948	F	78.1	Confident	62.1	Low	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.9	179.2	-61.1	-87.2	0	0	0	110.1	S941 V942 P946 C960 F961 V963 L1106 L1107	S941-F948 VanDerWaalsContact O-CA 3.25Å; S941-F948 WeakPolarHBondContact O-CA 3.5Å; V942-F948 HydrophobicContact CB-CD1 3.6Å; V942-F948 HydrophobicContact CB-CE1 3.63Å; V942-F948 HydrophobicContact CB-CG 4.38Å; V942-F948 HydrophobicContact CB-CZ 4.4Å; V942-F948 HydrophobicContact CG1-CE1 4.31Å; V942-F948 HydrophobicContact CG2-CD1 3.54Å; V942-F948 HydrophobicContact CG2-CD2 4.27Å; V942-F948 HydrophobicContact CG2-CE1 3.35Å; V942-F948 HydrophobicContact CG2-CE2 4.08Å; V942-F948 HydrophobicContact CG2-CG 4.01Å; V942-F948 HydrophobicContact CG2-CZ 3.62Å; P946-F948 HydrophobicContact CB-CE2 3.69Å; P946-F948 HydrophobicContact CB-CZ 3.81Å; P946-F948 HydrophobicContact CG-CE2 4.24Å; P946-F948 HydrophobicContact CG-CZ 4.44Å; P946-F948 WeakPolarHBondContact O-CD2 3.5Å; P946-F948 WeakPolarHBondContact O-CE2 3.17Å; P946-F948 PolarHBondContact O-N 3.06Å; F948-C960 WeakPolarHBondContact O-CA 3.29Å; F948-F961 HydrophobicContact CB-CD1 3.93Å; F948-F961 HydrophobicContact CB-CD2 3.96Å; F948-F961 HydrophobicContact CB-CE1 3.57Å; F948-F961 HydrophobicContact CB-CE2 3.6Å; F948-F961 HydrophobicContact CB-CG 4.11Å; F948-F961 HydrophobicContact CB-CZ 3.39Å; F948-F961 HydrophobicContact CD1-CZ 4.47Å; F948-F961 AromaticContact CD2-CD2 3.76Å; F948-F961 HydrophobicContact CD2-CD2 3.76Å; F948-F961 AromaticContact CD2-CE2 3.41Å; F948-F961 HydrophobicContact CD2-CE2 3.41Å; F948-F961 VanDerWaalsContact CD2-CE2 3.41Å; F948-F961 HydrophobicContact CD2-CZ 4.05Å; F948-F961 HydrophobicContact CE2-CE2 4.26Å; F948-F961 HydrophobicContact CG-CD2 4.19Å; F948-F961 HydrophobicContact CG-CE1 4.4Å; F948-F961 AromaticContact CG-CE2 3.6Å; F948-F961 HydrophobicContact CG-CE2 3.6Å; F948-F961 AromaticContact CG-CZ 3.73Å; F948-F961 HydrophobicContact CG-CZ 3.73Å; F948-F961 PolarHBondContact N-O 2.82Å; F948-F961 PolarHBondContact O-N 2.95Å; F948-V963 HydrophobicContact CD2-CG2 3.92Å; F948-V963 HydrophobicContact CE2-CB 3.93Å; F948-V963 HydrophobicContact CE2-CG2 3.58Å; F948-L1106 HydrophobicContact CE1-CD2 3.83Å; F948-L1106 HydrophobicContact CE1-CG 4.22Å; F948-L1106 HydrophobicContact CE2-CD2 4Å; F948-L1106 HydrophobicContact CZ-CD2 3.29Å; F948-L1106 HydrophobicContact CZ-CG 4.02Å; F948-L1107 HydrophobicContact CB-CD2 4.47Å; F948-L1107 HydrophobicContact CD1-CD1 4.27Å; F948-L1107 HydrophobicContact CD1-CD2 3.61Å; F948-L1107 HydrophobicContact CD1-CG 3.91Å; F948-L1107 HydrophobicContact CE1-CD1 4.47Å; F948-L1107 HydrophobicContact CE1-CD2 4.35Å; F948-L1107 HydrophobicContact CE1-CG 4.16Å; F948-L1107 HydrophobicContact CG-CD2 4.43Å
949	V	75.7	Confident	64.2	Low	16 Å²	16	29 Å²	29	10%	0.097	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.3	167.4	-167.5	0	0	0	0	107.6	S940 S941 D958 L959	S940-V949 CarbonylContact C-O 3.56Å; S940-V949 WeakPolarHBondContact CA-O 3.4Å; S941-V949 PolarHBondContact N-O 3.41Å; S941-V949 PolarHBondContact O-N 2.97Å; S941-V949 WeakPolarHBondContact OG-CB 3.15Å; V949-D958 HydrophobicContact CG1-CB 3.74Å; V949-L959 CarbonylContact C-O 3.52Å; V949-L959 WeakPolarHBondContact CA-O 3.24Å
950	V	77.8	Confident	66	Low	4 Å²	4	27.7 Å²	27.7	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.2	179.7	175	0	0	0	0	108.9	L959 F961 L1107 F1110	V950-L959 HydrophobicContact CB-CB 4.43Å; V950-L959 PolarHBondContact N-O 3.39Å; V950-L959 WeakPolarHBondContact O-CB 3.46Å; V950-L959 PolarHBondContact O-N 2.61Å; V950-F961 HydrophobicContact CG2-CE1 3.83Å; V950-F961 HydrophobicContact CG2-CZ 4.46Å; V950-L1107 HydrophobicContact CG2-CD2 3.94Å; V950-F1110 HydrophobicContact CG1-CB 3.72Å; V950-F1110 HydrophobicContact CG1-CD2 4.4Å; V950-F1110 HydrophobicContact CG1-CG 4.02Å; V950-F1110 HydrophobicContact CG2-CD2 3.95Å; V950-F1110 HydrophobicContact CG2-CE2 4.48Å; V950-F1110 HydrophobicContact CG2-CG 4.4Å
951	Q	71.8	Confident	67.7	Low	50 Å²	50	27.8 Å²	27.8	23%	0.234	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.7	-177.1	-169.8	172.2	54.5	0	0	111.2	L937 S939 P953	L937-Q951 PolarHBondContact O-OE1 2.82Å; S939-Q951 VanDerWaalsContact O-CB 3.32Å; S939-Q951 WeakPolarHBondContact O-CB 3.41Å; S939-Q951 PolarHBondContact O-N 3.46Å; Q951-P953 WeakPolarHBondContact O-CD 3.44Å
952	L	68.3	Low	69.1	Low	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.5	-177.7	-58.5	-179.8	0	0	0	110.9	K954 L955 H956 Q957 L959 M1115 V1117	L952-K954 VanDerWaalsContact C-N 3.31Å; L952-K954 PolarHBondContact O-N 2.85Å; L952-L955 HydrophobicContact CB-CB 4.23Å; L952-L955 HydrophobicContact CD1-CD1 4.29Å; L952-L955 PolarHBondContact O-N 3.4Å; L952-H956 PolarHBondContact O-N 3.35Å; L952-Q957 VanDerWaalsContact CB-O 3.24Å; L952-Q957 WeakPolarHBondContact CB-O 3.43Å; L952-Q957 WeakPolarHBondContact CG-O 3.3Å; L952-Q957 PolarHBondContact N-O 2.64Å; L952-L959 HydrophobicContact CD1-CB 4.42Å; L952-L959 HydrophobicContact CD2-CB 4.07Å; L952-L959 HydrophobicContact CD2-CD2 4.4Å; L952-L959 HydrophobicContact CG-CB 4.19Å; L952-M1115 HydrophobicContact CD2-CB 3.95Å; L952-M1115 HydrophobicContact CD2-SD 3.79Å; L952-V1117 HydrophobicContact CD1-CG2 3.91Å
953	P	53.6	Low	70.5	Confident	23 Å²	23	29.8 Å²	29.8	15%	0.149	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.6	-163.3	30.2	-41.8	0	0	0	114.2	F938 Q951	F938-P953 HydrophobicContact CD1-CB 4.32Å; F938-P953 HydrophobicContact CD1-CG 4.36Å; F938-P953 HydrophobicContact CD2-CB 4.21Å; F938-P953 HydrophobicContact CE1-CB 3.89Å; F938-P953 HydrophobicContact CE1-CG 3.54Å; F938-P953 HydrophobicContact CE2-CB 3.75Å; F938-P953 HydrophobicContact CE2-CG 4.05Å; F938-P953 HydrophobicContact CZ-CB 3.61Å; F938-P953 HydrophobicContact CZ-CG 3.38Å; Q951-P953 WeakPolarHBondContact O-CD 3.44Å
954	K	56.3	Low	71.6	Confident	109 Å²	109	31.1 Å²	31.1	47%	0.474	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-14.4	-179.7	-65.7	-174.8	179.7	-176.5	0	113	L952 D1114	L952-K954 VanDerWaalsContact C-N 3.31Å; L952-K954 PolarHBondContact O-N 2.85Å; K954-D1114 WeakPolarHBondContact CE-OD1 3.44Å; K954-D1114 IonicContact NZ-OD1 2.8Å; K954-D1114 PolarHBondContact NZ-OD1 2.71Å; K954-D1114 IonicContact NZ-OD2 2.98Å; K954-D1114 PolarHBondContact NZ-OD2 2.89Å
955	L	60.3	Low	72.3	Confident	57 Å²	57	31 Å²	31	30%	0.298	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-14.7	-171.1	-69.2	172.1	0	0	0	114.6	L952 Q957 V1117	L952-L955 HydrophobicContact CB-CB 4.23Å; L952-L955 HydrophobicContact CD1-CD1 4.29Å; L952-L955 PolarHBondContact O-N 3.4Å; L955-Q957 HydrophobicContact CB-CB 4.4Å; L955-Q957 WeakPolarHBondContact O-CG 3.01Å; L955-Q957 PolarHBondContact O-N 2.8Å; L955-V1117 HydrophobicContact CD1-CB 4.2Å; L955-V1117 HydrophobicContact CD1-CG2 4.41Å
956	H	65.2	Low	73.6	Confident	117 Å²	117	36.3 Å²	36.3	54%	0.542	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	40.5	-174.9	-60	-73.5	0	0	0	112.7	R936 L952	R936-H956 WeakPolarHBondContact CD-NE2 3.27Å; R936-H956 WeakPolarHBondContact CG-NE2 3.36Å; R936-H956 PolarHBondContact NE-NE2 2.99Å; L952-H956 PolarHBondContact O-N 3.35Å
957	Q	72.6	Confident	74.8	Confident	76 Å²	76	38.5 Å²	38.5	36%	0.355	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.5	-177.5	-72.8	169.9	13.3	0	0	108.7	L952 L955	L952-Q957 VanDerWaalsContact CB-O 3.24Å; L952-Q957 WeakPolarHBondContact CB-O 3.43Å; L952-Q957 WeakPolarHBondContact CG-O 3.3Å; L952-Q957 PolarHBondContact N-O 2.64Å; L955-Q957 HydrophobicContact CB-CB 4.4Å; L955-Q957 WeakPolarHBondContact O-CG 3.01Å; L955-Q957 PolarHBondContact O-N 2.8Å
958	D	81.3	Confident	75.5	Confident	24 Å²	24	41.8 Å²	41.8	13%	0.128	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.4	-174.8	-56	-38.1	0	0	0	111.2	V949 C1165 W1166	V949-D958 HydrophobicContact CG1-CB 3.74Å; D958-C1165 HydrophobicContact CB-CB 4.31Å; D958-C1165 WeakPolarHBondContact CB-SG 3.31Å; D958-C1165 WeakPolarHBondContact O-CA 3.46Å; D958-C1165 PolarHBondContact O-SG 2.92Å; D958-C1165 VanDerWaalsContact O-SG 3.39Å; D958-W1166 PolarHBondContact O-N 2.91Å
959	L	84.1	Confident	76.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.3	171.8	-172.6	72.9	0	0	0	108.8	V949 V950 L952 M1115 L1137 C1165 W1166 V1168 L1176	V949-L959 CarbonylContact C-O 3.52Å; V949-L959 WeakPolarHBondContact CA-O 3.24Å; V950-L959 HydrophobicContact CB-CB 4.43Å; V950-L959 PolarHBondContact N-O 3.39Å; V950-L959 WeakPolarHBondContact O-CB 3.46Å; V950-L959 PolarHBondContact O-N 2.61Å; L952-L959 HydrophobicContact CD1-CB 4.42Å; L952-L959 HydrophobicContact CD2-CB 4.07Å; L952-L959 HydrophobicContact CD2-CD2 4.4Å; L952-L959 HydrophobicContact CG-CB 4.19Å; L959-M1115 HydrophobicContact CD2-CE 4.09Å; L959-M1115 HydrophobicContact CD2-SD 4.35Å; L959-L1137 HydrophobicContact CD1-CD2 3.71Å; L959-L1137 HydrophobicContact CD2-CD2 3.87Å; L959-L1137 HydrophobicContact CG-CD2 4.48Å; L959-C1165 VanDerWaalsContact C-SG 3.55Å; L959-W1166 HydrophobicContact CD1-CB 3.98Å; L959-V1168 HydrophobicContact CD1-CG2 3.58Å; L959-V1168 HydrophobicContact CD2-CG2 4.4Å; L959-V1168 HydrophobicContact CG-CG2 3.99Å; L959-L1176 HydrophobicContact CD2-CD1 3.92Å
960	C	85.9	Confident	76.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.6	-176.5	-74.6	0	0	0	0	111	F948 C1165 W1166 V1167 V1168	F948-C960 WeakPolarHBondContact O-CA 3.29Å; C960-C1165 VanDerWaalsContact CA-SG 3.57Å; C960-C1165 HydrophobicContact CB-CB 3.87Å; C960-C1165 WeakPolarHBondContact CB-SG 3.24Å; C960-C1165 PolarHBondContact N-SG 3.34Å; C960-C1165 WeakPolarHBondContact SG-CB 3.25Å; C960-C1165 CovalentContact SG-SG 2.02Å; C960-C1165 PolarHBondContact SG-SG 2.93Å; C960-W1166 PolarHBondContact N-O 2.93Å; C960-V1167 HydrophobicContact CB-CG2 4.31Å; C960-V1167 WeakPolarHBondContact O-CA 3.21Å; C960-V1168 PolarHBondContact O-N 2.78Å
961	F	85.2	Confident	77.6	Confident	2 Å²	2	43 Å²	43	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	166	174.6	61.9	-84.7	0	0	0	111.9	H947 F948 V950 V963 F1110 V1168 I1173 L1176 L1177	H947-F961 CarbonylContact C-O 3.5Å; H947-F961 WeakPolarHBondContact CA-O 3.48Å; H947-F961 PolarHBondContact ND1-O 3.49Å; H947-F961 VanDerWaalsContact ND1-O 3.09Å; F948-F961 HydrophobicContact CB-CD1 3.93Å; F948-F961 HydrophobicContact CB-CD2 3.96Å; F948-F961 HydrophobicContact CB-CE1 3.57Å; F948-F961 HydrophobicContact CB-CE2 3.6Å; F948-F961 HydrophobicContact CB-CG 4.11Å; F948-F961 HydrophobicContact CB-CZ 3.39Å; F948-F961 HydrophobicContact CD1-CZ 4.47Å; F948-F961 AromaticContact CD2-CD2 3.76Å; F948-F961 HydrophobicContact CD2-CD2 3.76Å; F948-F961 AromaticContact CD2-CE2 3.41Å; F948-F961 HydrophobicContact CD2-CE2 3.41Å; F948-F961 VanDerWaalsContact CD2-CE2 3.41Å; F948-F961 HydrophobicContact CD2-CZ 4.05Å; F948-F961 HydrophobicContact CE2-CE2 4.26Å; F948-F961 HydrophobicContact CG-CD2 4.19Å; F948-F961 HydrophobicContact CG-CE1 4.4Å; F948-F961 AromaticContact CG-CE2 3.6Å; F948-F961 HydrophobicContact CG-CE2 3.6Å; F948-F961 AromaticContact CG-CZ 3.73Å; F948-F961 HydrophobicContact CG-CZ 3.73Å; F948-F961 PolarHBondContact N-O 2.82Å; F948-F961 PolarHBondContact O-N 2.95Å; V950-F961 HydrophobicContact CG2-CE1 3.83Å; V950-F961 HydrophobicContact CG2-CZ 4.46Å; F961-V963 HydrophobicContact CD2-CG2 3.95Å; F961-V963 HydrophobicContact CE2-CG2 3.97Å; F961-F1110 HydrophobicContact CE1-CE2 4.16Å; F961-F1110 AromaticContact CZ-CE2 3.81Å; F961-F1110 HydrophobicContact CZ-CE2 3.81Å; F961-F1110 HydrophobicContact CZ-CZ 4.33Å; F961-V1168 HydrophobicContact CB-CB 4.22Å; F961-V1168 HydrophobicContact CB-CG2 4.44Å; F961-I1173 HydrophobicContact CB-CD1 3.6Å; F961-I1173 HydrophobicContact CD2-CD1 4.49Å; F961-I1173 HydrophobicContact CG-CD1 4.42Å; F961-L1176 HydrophobicContact CB-CD2 3.92Å; F961-L1176 HydrophobicContact CD1-CD2 3.6Å; F961-L1176 HydrophobicContact CD2-CD2 4.01Å; F961-L1176 HydrophobicContact CE1-CD2 4.01Å; F961-L1176 HydrophobicContact CE2-CD2 4.39Å; F961-L1176 HydrophobicContact CG-CD2 3.6Å; F961-L1176 HydrophobicContact CZ-CD2 4.39Å; F961-L1177 HydrophobicContact CE2-CD2 4.22Å
962	T	82.1	Confident	78.6	Confident	37 Å²	37	43 Å²	43	23%	0.227	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137	174.1	-76.3	0	0	0	0	109.2	D945 P946 H947	D945-T962 VanDerWaalsContact O-CG2 3.24Å; D945-T962 WeakPolarHBondContact O-CG2 3.12Å; P946-T962 VanDerWaalsContact O-CA 3.3Å; P946-T962 WeakPolarHBondContact O-CA 3.31Å; H947-T962 PolarHBondContact ND1-OG1 3.03Å
963	V	80.8	Confident	79.7	Confident	9 Å²	9	43 Å²	43	6%	0.055	22%	0.215	C	C	.	.			trans	-113.7	111.6	174.2	-173.3	0	0	0	0	107.9	P946 F948 F961 G965 I1173 L1177 Y1181	P946-V963 VanDerWaalsContact CD-O 3.24Å; P946-V963 WeakPolarHBondContact CD-O 3.36Å; P946-V963 VanDerWaalsContact CG-O 3.29Å; P946-V963 WeakPolarHBondContact CG-O 3.3Å; P946-V963 PolarHBondContact O-N 3.13Å; F948-V963 HydrophobicContact CD2-CG2 3.92Å; F948-V963 HydrophobicContact CE2-CB 3.93Å; F948-V963 HydrophobicContact CE2-CG2 3.58Å; F961-V963 HydrophobicContact CD2-CG2 3.95Å; F961-V963 HydrophobicContact CE2-CG2 3.97Å; V963-G965 PolarHBondContact O-N 3.09Å; V963-I1173 HydrophobicContact CG2-CG2 4.01Å; V963-L1177 HydrophobicContact CG2-CD1 4.23Å; V963-Y1181 HydrophobicContact CG1-CD2 3.48Å; V963-Y1181 VanDerWaalsContact CG1-CD2 3.48Å; V963-Y1181 HydrophobicContact CG1-CE2 4.04Å; V963-Y1181 HydrophobicContact CG1-CG 4.38Å
964	D	75.4	Confident	81.6	Confident	55 Å²	55	41.9 Å²	41.9	29%	0.294	21%	0.208	S	C	.	.			trans	-64.8	99.1	177.1	-70.5	62.6	0	0	0	110.4	K1170	D964-K1170 WeakPolarHBondContact OD1-CD 3.33Å; D964-K1170 WeakPolarHBondContact OD1-CE 3.34Å; D964-K1170 IonicContact OD1-NZ 2.81Å; D964-K1170 PolarHBondContact OD1-NZ 3.2Å; D964-K1170 IonicContact OD2-NZ 3.7Å; D964-K1170 PolarHBondContact OD2-NZ 3.49Å
965	G	75.8	Confident	83.3	Confident	4 Å²	4	38.6 Å²	38.6	4%	0.041	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-81.1	160.2	179.5	0	0	0	0	0	113.5	V963 T1002 Y1181	V963-G965 PolarHBondContact O-N 3.09Å; G965-T1002 WeakPolarHBondContact O-CG2 2.96Å; G965-Y1181 VanDerWaalsContact CA-OH 3.26Å; G965-Y1181 WeakPolarHBondContact CA-OH 3.21Å
966	R	85.2	Confident	84.8	Confident	129 Å²	129	35.9 Å²	35.9	49%	0.487	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-96.2	148.8	170	-52.1	171.2	-179.7	154.6	4.5	109.7	D969 Y1181 E1182	R966-D969 HydrophobicContact CB-CB 4.47Å; R966-D969 WeakPolarHBondContact CB-OD2 3.35Å; R966-D969 PolarHBondContact O-N 2.99Å; R966-Y1181 HydrophobicContact CG-CE1 4.11Å; R966-Y1181 PolarHBondContact N-OH 3.14Å; R966-E1182 IonicContact CZ-OE1 3.5Å; R966-E1182 VanDerWaalsContact CZ-OE1 3.25Å; R966-E1182 IonicContact NH1-OE1 2.7Å; R966-E1182 PolarHBondContact NH1-OE1 2.97Å; R966-E1182 IonicContact NH2-OE1 2.71Å; R966-E1182 PolarHBondContact NH2-OE1 2.84Å
967	A	83	Confident	85.9	Confident	46 Å²	46	33.9 Å²	33.9	38%	0.38	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	135	178	0	0	0	0	0	110.7	D969	A967-D969 VanDerWaalsContact C-N 3.3Å
968	N	87.8	Confident	86.7	Confident	119 Å²	119	36.9 Å²	36.9	64%	0.636	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	5.7	-172.3	-34	-89.5	0	0	0	115.8	L987	N968-L987 WeakPolarHBondContact CA-O 3.36Å; N968-L987 PolarHBondContact N-O 3.22Å
969	D	90.9	Very high	86.8	Confident	32 Å²	32	40 Å²	40	17%	0.171	20%	0.201	C	C	.	.			trans	-72.7	142.2	168.1	-73.6	17.8	0	0	0	109.3	R966 A967 L987 Y1181 V1185	R966-D969 HydrophobicContact CB-CB 4.47Å; R966-D969 WeakPolarHBondContact CB-OD2 3.35Å; R966-D969 PolarHBondContact O-N 2.99Å; A967-D969 VanDerWaalsContact C-N 3.3Å; D969-L987 PolarHBondContact O-N 2.66Å; D969-Y1181 WeakPolarHBondContact CB-OH 3.39Å; D969-Y1181 WeakPolarHBondContact OD2-CE1 3.34Å; D969-Y1181 PolarHBondContact OD2-OH 3Å; D969-V1185 HydrophobicContact CB-CG1 4.05Å; D969-V1185 HydrophobicContact CB-CG2 4.3Å
970	V	92.4	Very high	86.9	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.3	173.1	-176.6	0	0	0	0	108.5	D984 G985 H986 V1185 V1186	V970-D984 HydrophobicContact CG1-CB 3.96Å; V970-G985 CarbonylContact C-O 3.58Å; V970-G985 WeakPolarHBondContact CA-O 3.3Å; V970-H986 HydrophobicContact CG2-CB 4.16Å; V970-V1185 CarbonylContact O-C 3.56Å; V970-V1185 VanDerWaalsContact O-CA 3.29Å; V970-V1185 WeakPolarHBondContact O-CA 3.27Å; V970-V1186 HydrophobicContact CB-CG2 3.77Å; V970-V1186 HydrophobicContact CG1-CG2 3.52Å; V970-V1186 PolarHBondContact O-N 2.97Å
971	L	91.5	Very high	87.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.8	-174.9	-63.1	-175.3	0	0	0	113	L973 D984 G985 L987 F1004 L1106 Y1181 Y1184 V1185	L971-L973 HydrophobicContact CB-CD2 4.12Å; L971-L973 PolarHBondContact O-N 2.85Å; L971-L973 VanDerWaalsContact O-N 3.15Å; L971-D984 CarbonylContact O-C 3.59Å; L971-D984 WeakPolarHBondContact O-CA 3.08Å; L971-G985 PolarHBondContact N-O 3.24Å; L971-G985 PolarHBondContact O-N 3.25Å; L971-L987 HydrophobicContact CD1-CD1 3.79Å; L971-L987 HydrophobicContact CD1-CG 4.33Å; L971-L987 HydrophobicContact CG-CD1 4.11Å; L971-L987 HydrophobicContact CG-CG 4.49Å; L971-F1004 HydrophobicContact CD1-CZ 4.37Å; L971-L1106 HydrophobicContact CD1-CD2 4.13Å; L971-Y1181 HydrophobicContact CD1-CE2 4Å; L971-Y1181 HydrophobicContact CD2-CD2 4.36Å; L971-Y1181 HydrophobicContact CD2-CE2 3.51Å; L971-Y1181 HydrophobicContact CG-CE2 4.36Å; L971-Y1184 WeakPolarHBondContact CA-O 3.43Å; L971-V1185 HydrophobicContact CD2-CG2 3.77Å
972	R	93.9	Very high	87.5	Confident	51 Å²	51	43.4 Å²	43.4	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	97.7	171	-176.3	148.9	-72	-170.4	-0.2	111.6	E975 D984 L1106 Y1184 V1186	R972-E975 WeakPolarHBondContact CD-OE2 3.5Å; R972-E975 HydrophobicContact CG-CB 4.31Å; R972-E975 IonicContact CZ-OE1 2.97Å; R972-E975 IonicContact CZ-OE2 2.78Å; R972-E975 IonicContact NE-OE2 3.65Å; R972-E975 IonicContact NH1-OE1 2.91Å; R972-E975 PolarHBondContact NH1-OE1 3.5Å; R972-E975 IonicContact NH1-OE2 2.66Å; R972-E975 PolarHBondContact NH1-OE2 3.38Å; R972-D984 WeakPolarHBondContact CA-OD1 3.29Å; R972-D984 WeakPolarHBondContact CB-OD1 3.33Å; R972-D984 WeakPolarHBondContact CG-OD1 3.42Å; R972-D984 IonicContact CZ-OD1 3.39Å; R972-D984 IonicContact CZ-OD2 2.87Å; R972-D984 IonicContact NE-OD1 3.28Å; R972-D984 PolarHBondContact NE-OD1 3.15Å; R972-D984 IonicContact NE-OD2 3.16Å; R972-D984 IonicContact NH2-OD1 2.68Å; R972-D984 IonicContact NH2-OD2 3.12Å; R972-D984 PolarHBondContact NH2-OD2 3.46Å; R972-L1106 WeakPolarHBondContact O-CB 3.31Å; R972-L1106 PolarHBondContact O-N 3.06Å; R972-Y1184 PolarHBondContact N-O 3.28Å; R972-V1186 HydrophobicContact CB-CG1 4.13Å
973	L	91.4	Very high	88.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-40.5	-179.7	-53.4	-173.9	0	0	0	111.1	L971 V983 F1004 L1007 F1091 G1105 L1106 L1107 G1108	L971-L973 HydrophobicContact CB-CD2 4.12Å; L971-L973 PolarHBondContact O-N 2.85Å; L971-L973 VanDerWaalsContact O-N 3.15Å; L973-V983 HydrophobicContact CB-CB 4.48Å; L973-V983 HydrophobicContact CB-CG1 4.18Å; L973-V983 HydrophobicContact CD1-CG1 4.31Å; L973-V983 PolarHBondContact N-O 3.2Å; L973-F1004 HydrophobicContact CD1-CE1 4.48Å; L973-F1004 HydrophobicContact CD1-CZ 4.39Å; L973-F1004 HydrophobicContact CD2-CE1 4.29Å; L973-F1004 HydrophobicContact CD2-CZ 3.9Å; L973-L1007 HydrophobicContact CD1-CD2 3.89Å; L973-F1091 HydrophobicContact CD1-CB 4.36Å; L973-F1091 HydrophobicContact CD1-CD1 4.05Å; L973-F1091 HydrophobicContact CD1-CG 4.28Å; L973-G1105 CarbonylContact O-C 3.54Å; L973-L1106 HydrophobicContact CD2-CD2 4.27Å; L973-L1106 PolarHBondContact O-N 2.76Å; L973-L1107 WeakPolarHBondContact O-CA 3.31Å; L973-L1107 WeakPolarHBondContact O-CB 3.48Å; L973-L1107 PolarHBondContact O-N 2.84Å; L973-G1108 PolarHBondContact O-N 2.02Å; L973-G1108 VanDerWaalsContact O-N 3.11Å
974	L	92.5	Very high	88.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.1	178.9	178.4	149.4	0	0	0	110.9	D976 I981 V983 F1071 I1093 L1099 T1103 Q1104	L974-D976 HydrophobicContact CD2-CB 4.47Å; L974-I981 HydrophobicContact CD2-CB 4.28Å; L974-I981 HydrophobicContact CD2-CG2 3.95Å; L974-V983 HydrophobicContact CB-CB 4.09Å; L974-V983 HydrophobicContact CB-CG2 4.18Å; L974-V983 HydrophobicContact CD2-CG2 4.25Å; L974-V983 PolarHBondContact N-O 3.35Å; L974-V983 PolarHBondContact O-N 3.06Å; L974-F1071 HydrophobicContact CD1-CE1 4.45Å; L974-F1071 HydrophobicContact CD1-CZ 4.45Å; L974-I1093 HydrophobicContact CD1-CD1 3.64Å; L974-L1099 HydrophobicContact CD1-CD1 3.68Å; L974-L1099 HydrophobicContact CD1-CD2 4.04Å; L974-L1099 HydrophobicContact CD2-CD2 4.33Å; L974-T1103 HydrophobicContact CD1-CG2 4.04Å; L974-T1103 HydrophobicContact CD2-CG2 4.41Å; L974-T1103 HydrophobicContact CG-CG2 3.86Å; L974-Q1104 WeakPolarHBondContact CA-O 3.47Å
975	E	92.6	Very high	89.5	Confident	39 Å²	39	39.9 Å²	39.9	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	114.7	167.6	170.5	169.9	-135.6	0	0	109.1	R972 P977 I981 I982 T1103 Q1104	R972-E975 WeakPolarHBondContact CD-OE2 3.5Å; R972-E975 HydrophobicContact CG-CB 4.31Å; R972-E975 IonicContact CZ-OE1 2.97Å; R972-E975 IonicContact CZ-OE2 2.78Å; R972-E975 IonicContact NE-OE2 3.65Å; R972-E975 IonicContact NH1-OE1 2.91Å; R972-E975 PolarHBondContact NH1-OE1 3.5Å; R972-E975 IonicContact NH1-OE2 2.66Å; R972-E975 PolarHBondContact NH1-OE2 3.38Å; E975-P977 WeakPolarHBondContact O-CD 3.43Å; E975-I981 CarbonylContact C-O 3.6Å; E975-I981 VanDerWaalsContact CA-O 3.31Å; E975-I981 WeakPolarHBondContact CA-O 3.42Å; E975-I982 HydrophobicContact CG-CG1 4.31Å; E975-T1103 CarbonylContact O-C 3.59Å; E975-T1103 WeakPolarHBondContact O-CA 3.37Å; E975-Q1104 HydrophobicContact CB-CG 4Å; E975-Q1104 HydrophobicContact CG-CG 4.2Å; E975-Q1104 PolarHBondContact N-O 3.11Å; E975-Q1104 PolarHBondContact O-N 3.39Å; E975-Q1104 PolarHBondContact OE2-NE2 2.8Å
976	D	91.9	Very high	90.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	100.1	172.3	-179.9	-19.1	0	0	0	108.2	L974 E978 R979 G980 I981 L1099 S1100 T1103	L974-D976 HydrophobicContact CD2-CB 4.47Å; D976-E978 VanDerWaalsContact C-N 3.33Å; D976-E978 PolarHBondContact O-N 2.88Å; D976-E978 PolarHBondContact OD1-N 2.66Å; D976-E978 VanDerWaalsContact OD1-N 3.15Å; D976-R979 HydrophobicContact CB-CB 4.34Å; D976-R979 CarbonylContact O-C 3.57Å; D976-R979 PolarHBondContact O-N 3.27Å; D976-R979 PolarHBondContact OD1-N 2.87Å; D976-R979 VanDerWaalsContact OD2-CD 3.31Å; D976-R979 WeakPolarHBondContact OD2-CD 3.24Å; D976-R979 WeakPolarHBondContact OD2-CG 3.36Å; D976-G980 CarbonylContact O-C 3.52Å; D976-G980 VanDerWaalsContact O-CA 3.25Å; D976-G980 WeakPolarHBondContact O-CA 3.38Å; D976-G980 PolarHBondContact O-N 2.77Å; D976-I981 HydrophobicContact CB-CB 4.21Å; D976-I981 PolarHBondContact N-O 3.24Å; D976-I981 PolarHBondContact O-N 2.85Å; D976-I981 VanDerWaalsContact O-N 3.13Å; D976-L1099 HydrophobicContact CB-CD2 4.36Å; D976-L1099 WeakPolarHBondContact OD2-CA 3.39Å; D976-S1100 WeakPolarHBondContact OD1-CB 3.31Å; D976-S1100 PolarHBondContact OD1-OG 2.9Å; D976-S1100 PolarHBondContact OD2-N 3.33Å; D976-T1103 HydrophobicContact CB-CG2 4.29Å
977	P	88.6	Confident	90.6	Very high	75 Å²	75	35 Å²	35	49%	0.487	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-18	-174	31.1	-35.3	0	0	0	113.5	E975 S1102	E975-P977 WeakPolarHBondContact O-CD 3.43Å; P977-S1102 WeakPolarHBondContact CD-O 3.31Å; P977-S1102 WeakPolarHBondContact CG-OG 3.33Å
978	E	87.8	Confident	90.8	Very high	139 Å²	139	34.8 Å²	34.8	65%	0.65	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-28.8	173.2	-74.9	167.9	-122.7	0	0	111.9	D976 S1100 S1102	D976-E978 VanDerWaalsContact C-N 3.33Å; D976-E978 PolarHBondContact O-N 2.88Å; D976-E978 PolarHBondContact OD1-N 2.66Å; D976-E978 VanDerWaalsContact OD1-N 3.15Å; E978-S1100 VanDerWaalsContact CD-CB 3.41Å; E978-S1100 WeakPolarHBondContact OE1-CB 3.44Å; E978-S1100 WeakPolarHBondContact OE2-CB 3.23Å; E978-S1102 WeakPolarHBondContact CG-OG 3.41Å; E978-S1102 WeakPolarHBondContact OE1-CB 3.41Å; E978-S1102 PolarHBondContact OE1-OG 3.24Å
979	R	84.4	Confident	90.4	Very high	88 Å²	88	30.5 Å²	30.5	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-6.4	175.2	-63.1	-171.8	170.2	-134.3	2	114.5	D976 I981 P1012 A1066 G1098	D976-R979 HydrophobicContact CB-CB 4.34Å; D976-R979 CarbonylContact O-C 3.57Å; D976-R979 PolarHBondContact O-N 3.27Å; D976-R979 PolarHBondContact OD1-N 2.87Å; D976-R979 VanDerWaalsContact OD2-CD 3.31Å; D976-R979 WeakPolarHBondContact OD2-CD 3.24Å; D976-R979 WeakPolarHBondContact OD2-CG 3.36Å; R979-I981 HydrophobicContact CB-CD1 3.79Å; R979-I981 HydrophobicContact CB-CG1 3.76Å; R979-I981 HydrophobicContact CG-CD1 4.45Å; R979-I981 PolarHBondContact O-N 3.37Å; R979-P1012 WeakPolarHBondContact O-CD 3.25Å; R979-P1012 WeakPolarHBondContact O-CG 3.4Å; R979-A1066 PolarHBondContact NH1-O 3.44Å; R979-G1098 PolarHBondContact NE-O 2.78Å; R979-G1098 PolarHBondContact NH2-O 2.98Å
980	G	86.3	Confident	89.5	Confident	30 Å²	30	29.6 Å²	29.6	31%	0.309	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	15	-172.3	0	0	0	0	0	115.4	D976 I982 P1012	D976-G980 CarbonylContact O-C 3.52Å; D976-G980 VanDerWaalsContact O-CA 3.25Å; D976-G980 WeakPolarHBondContact O-CA 3.38Å; D976-G980 PolarHBondContact O-N 2.77Å; G980-I982 PolarHBondContact O-N 3.11Å; G980-P1012 WeakPolarHBondContact O-CD 3.38Å
981	I	90.8	Very high	88.3	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120	-177.8	-53.4	167.6	0	0	0	108.4	L974 E975 D976 R979 L1011 L1065 V1069 F1071 L1099	L974-I981 HydrophobicContact CD2-CB 4.28Å; L974-I981 HydrophobicContact CD2-CG2 3.95Å; E975-I981 CarbonylContact C-O 3.6Å; E975-I981 VanDerWaalsContact CA-O 3.31Å; E975-I981 WeakPolarHBondContact CA-O 3.42Å; D976-I981 HydrophobicContact CB-CB 4.21Å; D976-I981 PolarHBondContact N-O 3.24Å; D976-I981 PolarHBondContact O-N 2.85Å; D976-I981 VanDerWaalsContact O-N 3.13Å; R979-I981 HydrophobicContact CB-CD1 3.79Å; R979-I981 HydrophobicContact CB-CG1 3.76Å; R979-I981 HydrophobicContact CG-CD1 4.45Å; R979-I981 PolarHBondContact O-N 3.37Å; I981-L1011 HydrophobicContact CG1-CD2 3.88Å; I981-L1011 HydrophobicContact CG2-CD2 4.37Å; I981-L1065 HydrophobicContact CD1-CD1 4.22Å; I981-L1065 HydrophobicContact CG2-CD1 4.22Å; I981-V1069 HydrophobicContact CD1-CG1 4.46Å; I981-F1071 HydrophobicContact CG2-CE2 4.37Å; I981-F1071 HydrophobicContact CG2-CZ 4.37Å; I981-L1099 HydrophobicContact CD1-CD2 4.14Å
982	I	92.6	Very high	86.5	Confident	41 Å²	41	38.3 Å²	38.3	21%	0.21	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.1	173.9	-59.3	176.6	0	0	0	108.8	E975 G980 D984 I1009 S1010	E975-I982 HydrophobicContact CG-CG1 4.31Å; G980-I982 PolarHBondContact O-N 3.11Å; I982-D984 WeakPolarHBondContact CG2-OD2 3.25Å; I982-I1009 CarbonylContact O-C 3.48Å; I982-I1009 VanDerWaalsContact O-CA 3.29Å; I982-I1009 WeakPolarHBondContact O-CA 3.26Å; I982-S1010 PolarHBondContact N-O 3Å; I982-S1010 PolarHBondContact O-N 3.46Å
983	V	94.2	Very high	84.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	107.5	172	-176.8	0	0	0	0	108.5	L973 L974 T1008 I1009 F1071 F1091	L973-V983 HydrophobicContact CB-CB 4.48Å; L973-V983 HydrophobicContact CB-CG1 4.18Å; L973-V983 HydrophobicContact CD1-CG1 4.31Å; L973-V983 PolarHBondContact N-O 3.2Å; L974-V983 HydrophobicContact CB-CB 4.09Å; L974-V983 HydrophobicContact CB-CG2 4.18Å; L974-V983 HydrophobicContact CD2-CG2 4.25Å; L974-V983 PolarHBondContact N-O 3.35Å; L974-V983 PolarHBondContact O-N 3.06Å; V983-T1008 WeakPolarHBondContact CA-O 3.33Å; V983-I1009 HydrophobicContact CG1-CD1 4.5Å; V983-I1009 HydrophobicContact CG1-CG1 4.21Å; V983-I1009 HydrophobicContact CG2-CD1 4.17Å; V983-I1009 HydrophobicContact CG2-CG1 4.09Å; V983-I1009 HydrophobicContact CG2-CG2 4.17Å; V983-F1071 HydrophobicContact CG2-CE2 3.98Å; V983-F1071 HydrophobicContact CG2-CZ 4.26Å; V983-F1091 HydrophobicContact CG1-CD2 4.41Å; V983-F1091 HydrophobicContact CG1-CE1 4.27Å; V983-F1091 HydrophobicContact CG1-CE2 3.92Å; V983-F1091 HydrophobicContact CG1-CZ 3.85Å; V983-F1091 HydrophobicContact CG2-CZ 4.24Å
984	D	94.6	Very high	81.9	Confident	27 Å²	27	46.6 Å²	46.6	14%	0.144	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136	178.7	-69	-32.3	0	0	0	109.3	V970 L971 R972 I982 T1008 V1186	V970-D984 HydrophobicContact CG1-CB 3.96Å; L971-D984 CarbonylContact O-C 3.59Å; L971-D984 WeakPolarHBondContact O-CA 3.08Å; R972-D984 WeakPolarHBondContact CA-OD1 3.29Å; R972-D984 WeakPolarHBondContact CB-OD1 3.33Å; R972-D984 WeakPolarHBondContact CG-OD1 3.42Å; R972-D984 IonicContact CZ-OD1 3.39Å; R972-D984 IonicContact CZ-OD2 2.87Å; R972-D984 IonicContact NE-OD1 3.28Å; R972-D984 PolarHBondContact NE-OD1 3.15Å; R972-D984 IonicContact NE-OD2 3.16Å; R972-D984 IonicContact NH2-OD1 2.68Å; R972-D984 IonicContact NH2-OD2 3.12Å; R972-D984 PolarHBondContact NH2-OD2 3.46Å; I982-D984 WeakPolarHBondContact CG2-OD2 3.25Å; D984-T1008 PolarHBondContact N-O 2.82Å; D984-T1008 PolarHBondContact O-N 3.3Å; D984-V1186 HydrophobicContact CB-CG2 4.43Å
985	G	92.4	Very high	79.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.5	-175.1	0	0	0	0	0	113.3	V970 L971	V970-G985 CarbonylContact C-O 3.58Å; V970-G985 WeakPolarHBondContact CA-O 3.3Å; L971-G985 PolarHBondContact N-O 3.24Å; L971-G985 PolarHBondContact O-N 3.25Å
986	H	93.4	Very high	77.6	Confident	30 Å²	30	51.9 Å²	51.9	14%	0.139	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.6	-179.7	176.5	-96.9	0	0	0	111.6	V970 F1004 D1005 R1006	V970-H986 HydrophobicContact CG2-CB 4.16Å; H986-F1004 WeakPolarHBondContact O-CA 3.47Å; H986-F1004 WeakPolarHBondContact O-CD1 3.27Å; H986-D1005 IonicContact CE1-OD1 3.88Å; H986-D1005 IonicContact CE1-OD2 2.93Å; H986-D1005 IonicContact CG-OD1 4Å; H986-D1005 IonicContact ND1-OD1 3.83Å; H986-D1005 PolarHBondContact ND1-OD1 3.1Å; H986-D1005 IonicContact ND1-OD2 3.75Å; H986-D1005 PolarHBondContact ND1-OD2 3.39Å; H986-D1005 PolarHBondContact O-N 2.74Å; H986-D1005 VanDerWaalsContact O-OD1 3.12Å; H986-R1006 HydrophobicContact CB-CB 4.36Å; H986-R1006 PolarHBondContact N-O 3.26Å
987	L	89.2	Confident	75	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.3	-178.9	-68.6	178.3	0	0	0	112.7	P946 N968 D969 L971 T1002 Y1003 F1004	P946-L987 HydrophobicContact CG-CD2 4.41Å; N968-L987 WeakPolarHBondContact CA-O 3.36Å; N968-L987 PolarHBondContact N-O 3.22Å; D969-L987 PolarHBondContact O-N 2.66Å; L971-L987 HydrophobicContact CD1-CD1 3.79Å; L971-L987 HydrophobicContact CD1-CG 4.33Å; L971-L987 HydrophobicContact CG-CD1 4.11Å; L971-L987 HydrophobicContact CG-CG 4.49Å; L987-T1002 HydrophobicContact CB-CG2 4.22Å; L987-T1002 HydrophobicContact CD1-CG2 4.3Å; L987-Y1003 CarbonylContact C-O 3.43Å; L987-Y1003 WeakPolarHBondContact CA-O 3.45Å; L987-F1004 HydrophobicContact CD2-CD1 3.78Å; L987-F1004 HydrophobicContact CD2-CD2 4.4Å; L987-F1004 HydrophobicContact CD2-CE1 3.56Å; L987-F1004 HydrophobicContact CD2-CE2 4.2Å; L987-F1004 HydrophobicContact CD2-CG 4.19Å; L987-F1004 HydrophobicContact CD2-CZ 3.78Å; L987-F1004 HydrophobicContact CG-CE1 4.22Å
988	M	87	Confident	73.1	Confident	41 Å²	41	65.9 Å²	65.9	20%	0.202	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	152.8	159.6	60.6	164.9	24.3	0	0	111.1	T1002 Y1003 D1005 M1086	M988-T1002 CarbonylContact O-C 3.14Å; M988-T1002 WeakPolarHBondContact O-CA 3.38Å; M988-T1002 WeakPolarHBondContact O-CB 3.16Å; M988-Y1003 VanDerWaalsContact CG-O 3.27Å; M988-Y1003 WeakPolarHBondContact CG-O 3.26Å; M988-Y1003 PolarHBondContact N-O 3.45Å; M988-Y1003 PolarHBondContact O-N 2.99Å; M988-D1005 HydrophobicContact CB-CB 4.09Å; M988-D1005 HydrophobicContact CE-CB 3.77Å; M988-D1005 HydrophobicContact CG-CB 3.84Å; M988-D1005 HydrophobicContact SD-CB 4.05Å; M988-M1086 HydrophobicContact CE-CE 3.68Å; M988-M1086 HydrophobicContact CG-SD 4.3Å; M988-M1086 HydrophobicContact SD-CB 3.9Å; M988-M1086 HydrophobicContact SD-CE 3.48Å; M988-M1086 WeakPolarHBondContact SD-CE 3.27Å; M988-M1086 HydrophobicContact SD-CG 4.37Å; M988-M1086 HydrophobicContact SD-SD 3.58Å
989	G	80.9	Confident	71.4	Confident	30 Å²	30	67.6 Å²	67.6	31%	0.309	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.9	175.8	0	0	0	0	0	112.8
990	A	72.1	Confident	70.3	Confident	12 Å²	12	67.4 Å²	67.4	10%	0.099	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-62.4	139.9	173.2	0	0	0	0	0	111.7	R1001 Y1003 M1086	A990-R1001 HydrophobicContact CB-CB 3.99Å; A990-R1001 WeakPolarHBondContact CB-O 3.35Å; A990-R1001 PolarHBondContact N-O 3.17Å; A990-Y1003 HydrophobicContact CB-CE2 4.29Å; A990-M1086 HydrophobicContact CB-SD 4.34Å
991	P	66.4	Low	69.6	Low	77 Å²	77	70 Å²	70	50%	0.5	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-56.7	128.7	178	-26.3	35.1	0	0	0	112.3	K993	P991-K993 PolarHBondContact O-N 3.26Å
992	P	54.3	Low	69.3	Low	119 Å²	119	69.9 Å²	69.9	77%	0.773	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-70.8	122.8	-176.1	27.2	-34.1	0	0	0	111.5	P994	P992-P994 VanDerWaalsContact O-CD 3.32Å; P992-P994 WeakPolarHBondContact O-CD 3.34Å
993	K	49.3	Very low	69	Low	102 Å²	102	68.5 Å²	68.5	44%	0.443	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-65.4	120.5	173.1	-179.8	159.8	-179.7	164	0	110.2	D444 P991 G995 A996 H1083	D444-K993 IonicContact OD2-NZ 3.92Å; P991-K993 PolarHBondContact O-N 3.26Å; K993-G995 PolarHBondContact O-N 3.09Å; K993-A996 HydrophobicContact CB-CB 4.15Å; K993-A996 HydrophobicContact CG-CB 4.24Å; K993-A996 PolarHBondContact O-N 3.03Å; K993-H1083 WeakPolarHBondContact CD-NE2 3.42Å
994	P	39	Very low	68.8	Low	124 Å²	124	68.5 Å²	68.5	81%	0.805	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	126.2	174.9	-22.1	34.1	0	0	0	110.8	P992	P992-P994 VanDerWaalsContact O-CD 3.32Å; P992-P994 WeakPolarHBondContact O-CD 3.34Å
995	G	48.3	Very low	68.6	Low	90 Å²	90	69 Å²	69	93%	0.928	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-4.1	175.6	0	0	0	0	0	116.5	K993	K993-G995 PolarHBondContact O-N 3.09Å
996	A	46	Very low	68.7	Low	59 Å²	59	73.4 Å²	73.4	49%	0.488	41%	0.414	S	S	.	.	S	Bend	trans	-86.4	161.8	170.5	0	0	0	0	0	112.1	K993	K993-A996 HydrophobicContact CB-CB 4.15Å; K993-A996 HydrophobicContact CG-CB 4.24Å; K993-A996 PolarHBondContact O-N 3.03Å
997	E	38.6	Very low	68.7	Low	186 Å²	186	72 Å²	72	87%	0.869	41%	0.408	S	S	*	.			trans	-63.6	152.4	168.6	-66.4	-167.6	135.4	0	0	111.3	R999	E997-R999 PolarHBondContact O-N 3.23Å
998	L	47.8	Very low	68.9	Low	184 Å²	184	73.5 Å²	73.5	96%	0.963	42%	0.417	S	S	*	.	S	Bend	trans	-70.9	89.2	-177.5	-73	96.3	0	0	0	111.7
999	R	51.2	Low	69.2	Low	175 Å²	175	71.5 Å²	71.5	66%	0.66	41%	0.407	S	S	*	.			trans	-121.5	77.5	162.5	-164.3	170.3	-172.9	163	4	110.2	E997 R1001	E997-R999 PolarHBondContact O-N 3.23Å; R999-R1001 PolarHBondContact O-N 3.26Å
1000	S	61.6	Low	69.7	Low	84 Å²	84	71.8 Å²	71.8	59%	0.587	40%	0.404	S	S	*	.			trans	-63.7	114.9	170.4	47.2	0	0	0	0	109.7
1001	R	72.9	Confident	70.4	Confident	86 Å²	86	72.5 Å²	72.5	33%	0.325	41%	0.406	S	S	.	.			trans	-82.2	142.3	164.6	-68.6	-169.5	-179.8	175.4	-1.6	109.7	D945 A990 R999 Y1003 L1084	D945-R1001 HydrophobicContact CB-CB 3.86Å; D945-R1001 HydrophobicContact CB-CG 3.84Å; A990-R1001 HydrophobicContact CB-CB 3.99Å; A990-R1001 WeakPolarHBondContact CB-O 3.35Å; A990-R1001 PolarHBondContact N-O 3.17Å; R999-R1001 PolarHBondContact O-N 3.26Å; R1001-Y1003 HydrophobicContact CB-CE2 3.83Å; R1001-Y1003 WeakPolarHBondContact CD-OH 3.25Å; R1001-L1084 PolarHBondContact NH1-O 3.24Å
1002	T	82.9	Confident	71	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.006	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	169.4	162.9	50.3	0	0	0	0	111.6	G944 D945 P946 G965 L987 M988	G944-T1002 CarbonylContact C-O 3.58Å; D945-T1002 VanDerWaalsContact CA-O 3.27Å; D945-T1002 WeakPolarHBondContact CA-O 3.47Å; D945-T1002 PolarHBondContact N-O 3.26Å; P946-T1002 VanDerWaalsContact CD-OG1 3.26Å; P946-T1002 WeakPolarHBondContact CD-OG1 3.4Å; G965-T1002 WeakPolarHBondContact O-CG2 2.96Å; L987-T1002 HydrophobicContact CB-CG2 4.22Å; L987-T1002 HydrophobicContact CD1-CG2 4.3Å; M988-T1002 CarbonylContact O-C 3.14Å; M988-T1002 WeakPolarHBondContact O-CA 3.38Å; M988-T1002 WeakPolarHBondContact O-CB 3.16Å
1003	Y	86.3	Confident	71.5	Confident	11 Å²	11	67 Å²	67	4%	0.043	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	148.4	178.6	-73.1	-88.8	0	0	0	108.5	G944 L987 M988 A990 R1001 L1084 M1086 H1088	G944-Y1003 VanDerWaalsContact CA-CD1 3.46Å; G944-Y1003 VanDerWaalsContact CA-CE1 3.41Å; L987-Y1003 CarbonylContact C-O 3.43Å; L987-Y1003 WeakPolarHBondContact CA-O 3.45Å; M988-Y1003 VanDerWaalsContact CG-O 3.27Å; M988-Y1003 WeakPolarHBondContact CG-O 3.26Å; M988-Y1003 PolarHBondContact N-O 3.45Å; M988-Y1003 PolarHBondContact O-N 2.99Å; A990-Y1003 HydrophobicContact CB-CE2 4.29Å; R1001-Y1003 HydrophobicContact CB-CE2 3.83Å; R1001-Y1003 WeakPolarHBondContact CD-OH 3.25Å; Y1003-L1084 PolarHBondContact OH-O 2.66Å; Y1003-M1086 HydrophobicContact CD2-CB 4.04Å; Y1003-M1086 HydrophobicContact CD2-CG 4.02Å; Y1003-M1086 HydrophobicContact CD2-SD 4.27Å; Y1003-M1086 HydrophobicContact CE2-CG 4.38Å; Y1003-M1086 HydrophobicContact CG-CB 4.1Å; Y1003-H1088 HydrophobicContact CD1-CB 3.82Å; Y1003-H1088 AromaticContact CD1-CD2 3.99Å; Y1003-H1088 AromaticContact CD1-CE1 3.83Å; Y1003-H1088 AromaticContact CD1-CG 3.54Å; Y1003-H1088 AromaticContact CD1-ND1 3.44Å; Y1003-H1088 WeakPolarHBondContact CD1-ND1 3.12Å; Y1003-H1088 AromaticContact CE1-CE1 3.83Å; Y1003-H1088 AromaticContact CE1-ND1 3.81Å; Y1003-H1088 HydrophobicContact CG-CB 4.28Å
1004	F	89.9	Confident	72.3	Confident	0 Å²	0	66 Å²	66	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.2	170.4	-66.4	-77	0	0	0	110.8	V942 P946 L971 L973 H986 L987 L1007 H1088 L1089	V942-F1004 HydrophobicContact CB-CE2 4.3Å; V942-F1004 HydrophobicContact CG1-CD2 4Å; V942-F1004 HydrophobicContact CG1-CE2 3.57Å; V942-F1004 HydrophobicContact CG1-CZ 4.44Å; V942-F1004 HydrophobicContact CG2-CE2 3.74Å; P946-F1004 HydrophobicContact CB-CE2 4.06Å; L971-F1004 HydrophobicContact CD1-CZ 4.37Å; L973-F1004 HydrophobicContact CD1-CE1 4.48Å; L973-F1004 HydrophobicContact CD1-CZ 4.39Å; L973-F1004 HydrophobicContact CD2-CE1 4.29Å; L973-F1004 HydrophobicContact CD2-CZ 3.9Å; H986-F1004 WeakPolarHBondContact O-CA 3.47Å; H986-F1004 WeakPolarHBondContact O-CD1 3.27Å; L987-F1004 HydrophobicContact CD2-CD1 3.78Å; L987-F1004 HydrophobicContact CD2-CD2 4.4Å; L987-F1004 HydrophobicContact CD2-CE1 3.56Å; L987-F1004 HydrophobicContact CD2-CE2 4.2Å; L987-F1004 HydrophobicContact CD2-CG 4.19Å; L987-F1004 HydrophobicContact CD2-CZ 3.78Å; L987-F1004 HydrophobicContact CG-CE1 4.22Å; F1004-L1007 HydrophobicContact CD1-CD2 4.28Å; F1004-L1007 HydrophobicContact CG-CD2 4.43Å; F1004-H1088 CarbonylContact O-C 3.59Å; F1004-H1088 WeakPolarHBondContact O-CA 3.31Å; F1004-H1088 WeakPolarHBondContact O-CB 3.28Å; F1004-L1089 HydrophobicContact CB-CB 4.33Å; F1004-L1089 PolarHBondContact O-N 2.84Å
1005	D	90.9	Very high	73	Confident	39 Å²	39	66.4 Å²	66.4	21%	0.209	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-27	173.6	60.9	-10.9	0	0	0	112.6	H986 M988	H986-D1005 IonicContact CE1-OD1 3.88Å; H986-D1005 IonicContact CE1-OD2 2.93Å; H986-D1005 IonicContact CG-OD1 4Å; H986-D1005 IonicContact ND1-OD1 3.83Å; H986-D1005 PolarHBondContact ND1-OD1 3.1Å; H986-D1005 IonicContact ND1-OD2 3.75Å; H986-D1005 PolarHBondContact ND1-OD2 3.39Å; H986-D1005 PolarHBondContact O-N 2.74Å; H986-D1005 VanDerWaalsContact O-OD1 3.12Å; M988-D1005 HydrophobicContact CB-CB 4.09Å; M988-D1005 HydrophobicContact CE-CB 3.77Å; M988-D1005 HydrophobicContact CG-CB 3.84Å; M988-D1005 HydrophobicContact SD-CB 4.05Å
1006	R	93.9	Very high	73.6	Confident	91 Å²	91	63.7 Å²	63.7	34%	0.343	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.3	178.1	179.9	179.8	60.5	-176.7	-4	111.8	H986 T1022 L1023 T1024	H986-R1006 HydrophobicContact CB-CB 4.36Å; H986-R1006 PolarHBondContact N-O 3.26Å; R1006-T1022 HydrophobicContact CG-CG2 3.83Å; R1006-L1023 VanDerWaalsContact CA-O 3.27Å; R1006-L1023 WeakPolarHBondContact CA-O 2.95Å; R1006-T1024 HydrophobicContact CB-CG2 4.34Å; R1006-T1024 HydrophobicContact CG-CG2 4.17Å
1007	L	94.6	Very high	74.7	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.3	169.5	-64.6	165.7	0	0	0	108.9	L973 F1004 T1022 L1023 V1073 L1089 F1091	L973-L1007 HydrophobicContact CD1-CD2 3.89Å; F1004-L1007 HydrophobicContact CD1-CD2 4.28Å; F1004-L1007 HydrophobicContact CG-CD2 4.43Å; L1007-T1022 WeakPolarHBondContact O-CA 2.98Å; L1007-L1023 HydrophobicContact CB-CB 4.42Å; L1007-L1023 HydrophobicContact CB-CD1 4.2Å; L1007-L1023 PolarHBondContact N-O 3.25Å; L1007-L1023 PolarHBondContact O-N 2.78Å; L1007-V1073 HydrophobicContact CD1-CB 4.48Å; L1007-V1073 HydrophobicContact CD1-CG1 3.87Å; L1007-V1073 HydrophobicContact CD1-CG2 3.72Å; L1007-L1089 HydrophobicContact CB-CD1 4.27Å; L1007-L1089 HydrophobicContact CD1-CB 3.91Å; L1007-L1089 HydrophobicContact CD1-CD1 3.98Å; L1007-L1089 HydrophobicContact CG-CB 4.33Å; L1007-L1089 HydrophobicContact CG-CD1 3.86Å; L1007-F1091 HydrophobicContact CD1-CB 3.89Å; L1007-F1091 HydrophobicContact CD1-CD2 4.22Å; L1007-F1091 HydrophobicContact CD1-CG 4.49Å; L1007-F1091 HydrophobicContact CD2-CB 4.3Å
1008	T	93.9	Very high	76.7	Confident	31 Å²	31	60 Å²	60	19%	0.19	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.8	174.7	-64	0	0	0	0	109.6	V983 D984 M1020 I1021	V983-T1008 WeakPolarHBondContact CA-O 3.33Å; D984-T1008 PolarHBondContact N-O 2.82Å; D984-T1008 PolarHBondContact O-N 3.3Å; T1008-M1020 HydrophobicContact CG2-CG 3.79Å; T1008-M1020 HydrophobicContact CG2-SD 3.99Å; T1008-I1021 CarbonylContact C-O 3.53Å; T1008-I1021 VanDerWaalsContact CA-O 3.31Å; T1008-I1021 WeakPolarHBondContact CA-O 3.44Å
1009	I	93.2	Very high	78.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.8	176.6	-51.9	-168	0	0	0	108.6	I982 V983 L1011 M1020 I1021 I1063 F1071 F1091	I982-I1009 CarbonylContact O-C 3.48Å; I982-I1009 VanDerWaalsContact O-CA 3.29Å; I982-I1009 WeakPolarHBondContact O-CA 3.26Å; V983-I1009 HydrophobicContact CG1-CD1 4.5Å; V983-I1009 HydrophobicContact CG1-CG1 4.21Å; V983-I1009 HydrophobicContact CG2-CD1 4.17Å; V983-I1009 HydrophobicContact CG2-CG1 4.09Å; V983-I1009 HydrophobicContact CG2-CG2 4.17Å; I1009-L1011 HydrophobicContact CG2-CD1 4.45Å; I1009-M1020 WeakPolarHBondContact O-CA 3.32Å; I1009-I1021 HydrophobicContact CB-CB 4.28Å; I1009-I1021 HydrophobicContact CB-CD1 4.3Å; I1009-I1021 PolarHBondContact N-O 3.09Å; I1009-I1021 PolarHBondContact O-N 3.32Å; I1009-I1063 HydrophobicContact CD1-CD1 3.6Å; I1009-F1071 HydrophobicContact CD1-CD2 3.72Å; I1009-F1071 HydrophobicContact CD1-CE2 4.16Å; I1009-F1091 HydrophobicContact CD1-CE2 4.33Å
1010	S	90	Very high	80.3	Confident	36 Å²	36	47.5 Å²	47.5	25%	0.252	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.3	-179.9	-58.4	0	0	0	0	110.7	I982 I1019	I982-S1010 PolarHBondContact N-O 3Å; I982-S1010 PolarHBondContact O-N 3.46Å; S1010-I1019 WeakPolarHBondContact CA-O 3.32Å
1011	L	86.9	Confident	81.8	Confident	27 Å²	27	43.5 Å²	43.5	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	128.2	-172.3	-73.4	152.5	0	0	0	110.2	I981 I1009 A1013 I1019 M1051 L1065	I981-L1011 HydrophobicContact CG1-CD2 3.88Å; I981-L1011 HydrophobicContact CG2-CD2 4.37Å; I1009-L1011 HydrophobicContact CG2-CD1 4.45Å; L1011-A1013 PolarHBondContact O-N 3.02Å; L1011-I1019 HydrophobicContact CB-CB 4.18Å; L1011-I1019 HydrophobicContact CD1-CG2 4.21Å; L1011-I1019 PolarHBondContact N-O 2.78Å; L1011-I1019 PolarHBondContact O-N 3.41Å; L1011-M1051 HydrophobicContact CD1-SD 3.58Å; L1011-M1051 VanDerWaalsContact CD1-SD 3.58Å; L1011-L1065 HydrophobicContact CD1-CD2 3.64Å; L1011-L1065 HydrophobicContact CD2-CD1 4.05Å; L1011-L1065 HydrophobicContact CD2-CD2 3.98Å; L1011-L1065 HydrophobicContact CG-CD2 4.46Å
1012	P	79.7	Confident	82.8	Confident	72 Å²	72	40.7 Å²	40.7	47%	0.468	26%	0.258	S	S	.	.			trans	-71.4	121.1	-179.3	30	-35.7	0	0	0	110.7	R979 G980 G1014 D1018	R979-P1012 WeakPolarHBondContact O-CD 3.25Å; R979-P1012 WeakPolarHBondContact O-CG 3.4Å; G980-P1012 WeakPolarHBondContact O-CD 3.38Å; P1012-G1014 VanDerWaalsContact C-N 3.31Å; P1012-G1014 PolarHBondContact O-N 3.43Å; P1012-D1018 VanDerWaalsContact CA-OD1 3.31Å; P1012-D1018 WeakPolarHBondContact CA-OD1 3.19Å
1013	A	64.3	Low	83.4	Confident	9 Å²	9	40.7 Å²	40.7	7%	0.074	26%	0.258	C	S	.	.			trans	-95.2	25.5	-173.3	0	0	0	0	0	113.7	L1011 S1015 S1016 A1017 D1018 I1019	L1011-A1013 PolarHBondContact O-N 3.02Å; A1013-S1015 PolarHBondContact O-N 2.75Å; A1013-S1016 VanDerWaalsContact CB-OG 3.27Å; A1013-S1016 WeakPolarHBondContact CB-OG 3.44Å; A1013-S1016 PolarHBondContact O-N 2.81Å; A1013-S1016 PolarHBondContact O-OG 2.92Å; A1013-A1017 WeakPolarHBondContact CB-O 3.19Å; A1013-D1018 PolarHBondContact N-OD1 2.97Å; A1013-I1019 HydrophobicContact CB-CG1 4.24Å
1014	G	65.4	Low	83.7	Confident	80 Å²	80	42.1 Å²	42.1	83%	0.825	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	-101.2	173.2	0	0	0	0	0	113.6	P1012	P1012-G1014 VanDerWaalsContact C-N 3.31Å; P1012-G1014 PolarHBondContact O-N 3.43Å
1015	S	54.1	Low	83.5	Confident	132 Å²	132	43.6 Å²	43.6	92%	0.923	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	15.4	177.7	61.8	0	0	0	0	113.6	A1013	A1013-S1015 PolarHBondContact O-N 2.75Å
1016	S	61.7	Low	83.2	Confident	33 Å²	33	48.3 Å²	48.3	23%	0.231	30%	0.301	C	S	.	.	S	Bend	trans	-128.3	178.5	178.6	69	0	0	0	0	110.6	A1013 E1033 Q1049	A1013-S1016 VanDerWaalsContact CB-OG 3.27Å; A1013-S1016 WeakPolarHBondContact CB-OG 3.44Å; A1013-S1016 PolarHBondContact O-N 2.81Å; A1013-S1016 PolarHBondContact O-OG 2.92Å; S1016-E1033 WeakPolarHBondContact CB-OE1 3.45Å; S1016-Q1049 PolarHBondContact OG-NE2 2.67Å
1017	A	68.6	Low	83	Confident	59 Å²	59	44.4 Å²	44.4	49%	0.488	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-72.4	128.8	-178.5	0	0	0	0	0	111.5	A1013 I1019	A1013-A1017 WeakPolarHBondContact CB-O 3.19Å; A1017-I1019 PolarHBondContact O-N 2.83Å
1018	D	79.8	Confident	82.8	Confident	110 Å²	110	44.3 Å²	44.3	59%	0.588	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-49.8	135	-176.4	-68	-33.5	0	0	0	112.8	P1012 A1013	P1012-D1018 VanDerWaalsContact CA-OD1 3.31Å; P1012-D1018 WeakPolarHBondContact CA-OD1 3.19Å; A1013-D1018 PolarHBondContact N-OD1 2.97Å
1019	I	86.8	Confident	82.8	Confident	11 Å²	11	44 Å²	44	6%	0.056	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.1	-176.4	-69.4	173.5	0	0	0	108.7	S1010 L1011 A1013 A1017 V1030 D1031 Q1049 M1051	S1010-I1019 WeakPolarHBondContact CA-O 3.32Å; L1011-I1019 HydrophobicContact CB-CB 4.18Å; L1011-I1019 HydrophobicContact CD1-CG2 4.21Å; L1011-I1019 PolarHBondContact N-O 2.78Å; L1011-I1019 PolarHBondContact O-N 3.41Å; A1013-I1019 HydrophobicContact CB-CG1 4.24Å; A1017-I1019 PolarHBondContact O-N 2.83Å; I1019-V1030 HydrophobicContact CG2-CG1 4.47Å; I1019-D1031 WeakPolarHBondContact CA-O 3.45Å; I1019-Q1049 HydrophobicContact CD1-CB 4.15Å; I1019-Q1049 HydrophobicContact CD1-CG 4.25Å; I1019-M1051 HydrophobicContact CG2-CE 3.64Å; I1019-M1051 HydrophobicContact CG2-SD 4.1Å
1020	M	89.3	Confident	82.6	Confident	84 Å²	84	44 Å²	44	41%	0.414	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.2	175.7	-170.2	-177	-64.6	0	0	110.1	T1008 I1009 D1031	T1008-M1020 HydrophobicContact CG2-CG 3.79Å; T1008-M1020 HydrophobicContact CG2-SD 3.99Å; I1009-M1020 WeakPolarHBondContact O-CA 3.32Å; M1020-D1031 PolarHBondContact N-O 3.47Å; M1020-D1031 PolarHBondContact O-N 2.92Å
1021	I	92.8	Very high	82.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.1	168.1	-46.2	167.4	0	0	0	107.7	T1008 I1009 L1023 V1028 V1029 V1030 M1051 V1053 I1063	T1008-I1021 CarbonylContact C-O 3.53Å; T1008-I1021 VanDerWaalsContact CA-O 3.31Å; T1008-I1021 WeakPolarHBondContact CA-O 3.44Å; I1009-I1021 HydrophobicContact CB-CB 4.28Å; I1009-I1021 HydrophobicContact CB-CD1 4.3Å; I1009-I1021 PolarHBondContact N-O 3.09Å; I1009-I1021 PolarHBondContact O-N 3.32Å; I1021-L1023 HydrophobicContact CB-CD1 4.5Å; I1021-L1023 HydrophobicContact CG2-CD1 3.73Å; I1021-L1023 HydrophobicContact CG2-CG 4.1Å; I1021-V1028 HydrophobicContact CG2-CG1 3.83Å; I1021-V1029 CarbonylContact C-O 3.5Å; I1021-V1029 VanDerWaalsContact CA-O 3.31Å; I1021-V1029 WeakPolarHBondContact CA-O 3.43Å; I1021-V1030 HydrophobicContact CG2-CG2 4.43Å; I1021-M1051 HydrophobicContact CD1-CE 4.42Å; I1021-M1051 HydrophobicContact CD1-SD 3.7Å; I1021-M1051 HydrophobicContact CG1-CE 4.39Å; I1021-M1051 HydrophobicContact CG1-SD 4.18Å; I1021-V1053 HydrophobicContact CD1-CG2 3.67Å; I1021-V1053 HydrophobicContact CG1-CG2 4.25Å; I1021-I1063 HydrophobicContact CD1-CD1 4.14Å; I1021-I1063 HydrophobicContact CD1-CG2 3.64Å
1022	T	94	Very high	82.1	Confident	28 Å²	28	44.2 Å²	44.2	17%	0.172	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117	168.3	-65.9	0	0	0	0	109.5	R1006 L1007 V1029	R1006-T1022 HydrophobicContact CG-CG2 3.83Å; L1007-T1022 WeakPolarHBondContact O-CA 2.98Å; T1022-V1029 PolarHBondContact N-O 2.69Å; T1022-V1029 PolarHBondContact O-N 3.39Å
1023	L	94.5	Very high	81.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.1	177.3	-56.1	97.8	0	0	0	110	R1006 L1007 I1021 V1028 C1061 I1063 V1073 L1089	R1006-L1023 VanDerWaalsContact CA-O 3.27Å; R1006-L1023 WeakPolarHBondContact CA-O 2.95Å; L1007-L1023 HydrophobicContact CB-CB 4.42Å; L1007-L1023 HydrophobicContact CB-CD1 4.2Å; L1007-L1023 PolarHBondContact N-O 3.25Å; L1007-L1023 PolarHBondContact O-N 2.78Å; I1021-L1023 HydrophobicContact CB-CD1 4.5Å; I1021-L1023 HydrophobicContact CG2-CD1 3.73Å; I1021-L1023 HydrophobicContact CG2-CG 4.1Å; L1023-V1028 HydrophobicContact CB-CG2 4.24Å; L1023-V1028 HydrophobicContact CD2-CG1 4.25Å; L1023-V1028 HydrophobicContact CD2-CG2 3.73Å; L1023-V1028 HydrophobicContact CG-CG1 4.06Å; L1023-V1028 HydrophobicContact CG-CG2 3.95Å; L1023-C1061 HydrophobicContact CD2-CB 3.88Å; L1023-I1063 HydrophobicContact CD1-CD1 3.97Å; L1023-I1063 HydrophobicContact CD2-CD1 4.12Å; L1023-V1073 HydrophobicContact CD2-CB 4.09Å; L1023-V1073 HydrophobicContact CD2-CG1 4.22Å; L1023-V1073 HydrophobicContact CD2-CG2 4.04Å; L1023-L1089 HydrophobicContact CB-CD1 4.26Å; L1023-L1089 WeakPolarHBondContact O-CD1 3.34Å
1024	T	93.1	Very high	82.2	Confident	41 Å²	41	48.5 Å²	48.5	25%	0.252	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	176	170.6	62.8	0	0	0	0	109	R1006 D1026 G1027 F1075	R1006-T1024 HydrophobicContact CB-CG2 4.34Å; R1006-T1024 HydrophobicContact CG-CG2 4.17Å; T1024-D1026 VanDerWaalsContact C-N 3.27Å; T1024-D1026 PolarHBondContact O-N 3.25Å; T1024-D1026 PolarHBondContact OG1-N 3.37Å; T1024-G1027 PolarHBondContact N-O 2.98Å; T1024-G1027 PolarHBondContact OG1-N 3.04Å; T1024-G1027 PolarHBondContact OG1-O 3.45Å; T1024-F1075 WeakPolarHBondContact O-CE1 3.3Å
1025	L	86.6	Confident	83.2	Confident	31 Å²	31	52.4 Å²	52.4	16%	0.162	30%	0.301	C	S	.	.	S	Bend	trans	-64.5	-31	173.7	-66.5	167.5	0	0	0	113	T1040 A1087 L1089	L1025-T1040 WeakPolarHBondContact O-CB 3.34Å; L1025-T1040 VanDerWaalsContact O-CG2 3.25Å; L1025-T1040 WeakPolarHBondContact O-CG2 3.45Å; L1025-T1040 PolarHBondContact O-OG1 3.07Å; L1025-A1087 HydrophobicContact CD1-CB 3.67Å; L1025-A1087 HydrophobicContact CD2-CB 4.29Å; L1025-L1089 HydrophobicContact CD2-CD2 4.03Å
1026	D	84.1	Confident	84.8	Confident	139 Å²	139	49.9 Å²	49.9	74%	0.743	28%	0.275	S	S	*	.	S	Bend	trans	-88.3	-31	-174.9	-52.4	-61	0	0	0	112.9	T1024 T1040	T1024-D1026 VanDerWaalsContact C-N 3.27Å; T1024-D1026 PolarHBondContact O-N 3.25Å; T1024-D1026 PolarHBondContact OG1-N 3.37Å; D1026-T1040 PolarHBondContact O-N 3.02Å; D1026-T1040 VanDerWaalsContact O-N 3.1Å; D1026-T1040 PolarHBondContact O-OG1 3.18Å
1027	G	89.2	Confident	86.1	Confident	8 Å²	8	53.2 Å²	53.2	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	161.1	-178.6	0	0	0	0	0	115.1	T1024 L1038	T1024-G1027 PolarHBondContact N-O 2.98Å; T1024-G1027 PolarHBondContact OG1-N 3.04Å; T1024-G1027 PolarHBondContact OG1-O 3.45Å; G1027-L1038 CarbonylContact C-O 3.53Å; G1027-L1038 WeakPolarHBondContact CA-O 3.01Å
1028	V	91.4	Very high	87	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.7	170.7	177.2	0	0	0	0	108.5	I1021 L1023 L1038 V1053 V1055 C1061 F1075	I1021-V1028 HydrophobicContact CG2-CG1 3.83Å; L1023-V1028 HydrophobicContact CB-CG2 4.24Å; L1023-V1028 HydrophobicContact CD2-CG1 4.25Å; L1023-V1028 HydrophobicContact CD2-CG2 3.73Å; L1023-V1028 HydrophobicContact CG-CG1 4.06Å; L1023-V1028 HydrophobicContact CG-CG2 3.95Å; V1028-L1038 HydrophobicContact CB-CB 4.39Å; V1028-L1038 PolarHBondContact N-O 3.35Å; V1028-L1038 PolarHBondContact O-N 2.91Å; V1028-V1053 HydrophobicContact CG1-CG1 3.87Å; V1028-V1055 HydrophobicContact CB-CG2 3.96Å; V1028-V1055 HydrophobicContact CG2-CG2 3.72Å; V1028-C1061 HydrophobicContact CG2-CB 4.47Å; V1028-F1075 HydrophobicContact CG2-CZ 4.12Å
1029	V	92.4	Very high	87.4	Confident	23 Å²	23	48.5 Å²	48.5	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.8	178.3	-174.8	0	0	0	0	109.1	I1021 T1022 D1031 R1035 E1036 I1037	I1021-V1029 CarbonylContact C-O 3.5Å; I1021-V1029 VanDerWaalsContact CA-O 3.31Å; I1021-V1029 WeakPolarHBondContact CA-O 3.43Å; T1022-V1029 PolarHBondContact N-O 2.69Å; T1022-V1029 PolarHBondContact O-N 3.39Å; V1029-D1031 VanDerWaalsContact CG1-OD2 3.22Å; V1029-D1031 WeakPolarHBondContact CG1-OD2 3.43Å; V1029-R1035 HydrophobicContact CG1-CG 4.29Å; V1029-E1036 WeakPolarHBondContact CA-O 3Å; V1029-I1037 HydrophobicContact CG1-CG1 4.31Å; V1029-I1037 HydrophobicContact CG2-CG1 4.27Å; V1029-I1037 HydrophobicContact CG2-CG2 4.41Å
1030	V	91.1	Very high	87.2	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	104.5	172.4	-174.8	0	0	0	0	108.2	I1019 I1021 E1036 M1051 V1053	I1019-V1030 HydrophobicContact CG2-CG1 4.47Å; I1021-V1030 HydrophobicContact CG2-CG2 4.43Å; V1030-E1036 PolarHBondContact N-O 3.09Å; V1030-E1036 PolarHBondContact O-N 3.19Å; V1030-M1051 HydrophobicContact CG1-CE 3.96Å; V1030-V1053 HydrophobicContact CG2-CB 4.44Å; V1030-V1053 HydrophobicContact CG2-CG1 4.47Å; V1030-V1053 HydrophobicContact CG2-CG2 4.29Å
1031	D	85.5	Confident	86.7	Confident	43 Å²	43	48.1 Å²	48.1	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150	177.6	-78.7	-54.1	0	0	0	110.2	I1019 M1020 V1029 R1035	I1019-D1031 WeakPolarHBondContact CA-O 3.45Å; M1020-D1031 PolarHBondContact N-O 3.47Å; M1020-D1031 PolarHBondContact O-N 2.92Å; V1029-D1031 VanDerWaalsContact CG1-OD2 3.22Å; V1029-D1031 WeakPolarHBondContact CG1-OD2 3.43Å; D1031-R1035 VanDerWaalsContact OD1-CB 3.24Å; D1031-R1035 WeakPolarHBondContact OD1-CB 3.4Å; D1031-R1035 VanDerWaalsContact OD1-CD 3.23Å; D1031-R1035 WeakPolarHBondContact OD1-CD 3.25Å; D1031-R1035 WeakPolarHBondContact OD1-CG 3.19Å; D1031-R1035 IonicContact OD1-CZ 2.7Å; D1031-R1035 IonicContact OD1-NE 3.79Å; D1031-R1035 PolarHBondContact OD1-NE 2.83Å; D1031-R1035 IonicContact OD2-CZ 3.19Å; D1031-R1035 IonicContact OD2-NE 2.75Å; D1031-R1035 PolarHBondContact OD2-NE 2.9Å; D1031-R1035 VanDerWaalsContact OD2-NE 3.12Å; D1031-R1035 IonicContact OD2-NH2 3.18Å; D1031-R1035 PolarHBondContact OD2-NH2 3.44Å; D1031-R1035 VanDerWaalsContact OD2-NH2 3.12Å
1032	G	80.9	Confident	86.1	Confident	25 Å²	25	53.7 Å²	53.7	26%	0.258	28%	0.284	S	S	.	.	S	Bend	trans	161.7	-129.4	-172.6	0	0	0	0	0	111.2	G1034	G1032-G1034 PolarHBondContact N-O 3.05Å; G1032-G1034 PolarHBondContact O-N 3.28Å
1033	E	70	Confident	85.7	Confident	141 Å²	141	59.3 Å²	59.3	66%	0.659	31%	0.308	S	S	*	.	S	Bend	trans	-59.8	-5.6	172.5	-65.4	-179.9	145.1	0	0	114.8	S1016 Q1049	S1016-E1033 WeakPolarHBondContact CB-OE1 3.45Å; E1033-Q1049 PolarHBondContact OE1-NE2 2.81Å; E1033-Q1049 PolarHBondContact OE2-NE2 3Å
1034	G	74.8	Confident	85.3	Confident	30 Å²	30	60.4 Å²	60.4	31%	0.309	32%	0.32	S	S	.	.	S	Bend	trans	-176.8	171.4	171.5	0	0	0	0	0	109	G1032 R1048	G1032-G1034 PolarHBondContact N-O 3.05Å; G1032-G1034 PolarHBondContact O-N 3.28Å; G1034-R1048 PolarHBondContact O-NH1 3.33Å; G1034-R1048 PolarHBondContact O-NH2 3.06Å
1035	R	87.2	Confident	85.2	Confident	162 Å²	162	61.6 Å²	61.6	61%	0.611	33%	0.329	S	S	*	.			trans	-105.8	121	-179.5	179.7	167.4	-127.9	-145.4	-1.7	111.7	V1029 D1031 I1037	V1029-R1035 HydrophobicContact CG1-CG 4.29Å; D1031-R1035 VanDerWaalsContact OD1-CB 3.24Å; D1031-R1035 WeakPolarHBondContact OD1-CB 3.4Å; D1031-R1035 VanDerWaalsContact OD1-CD 3.23Å; D1031-R1035 WeakPolarHBondContact OD1-CD 3.25Å; D1031-R1035 WeakPolarHBondContact OD1-CG 3.19Å; D1031-R1035 IonicContact OD1-CZ 2.7Å; D1031-R1035 IonicContact OD1-NE 3.79Å; D1031-R1035 PolarHBondContact OD1-NE 2.83Å; D1031-R1035 IonicContact OD2-CZ 3.19Å; D1031-R1035 IonicContact OD2-NE 2.75Å; D1031-R1035 PolarHBondContact OD2-NE 2.9Å; D1031-R1035 VanDerWaalsContact OD2-NE 3.12Å; D1031-R1035 IonicContact OD2-NH2 3.18Å; D1031-R1035 PolarHBondContact OD2-NH2 3.44Å; D1031-R1035 VanDerWaalsContact OD2-NH2 3.12Å; R1035-I1037 HydrophobicContact CG-CG1 4.35Å
1036	E	87.3	Confident	85.3	Confident	78 Å²	78	60.3 Å²	60.3	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.3	169.3	-80.3	176.7	-106	0	0	110.8	V1029 V1030 V1046 R1048	V1029-E1036 WeakPolarHBondContact CA-O 3Å; V1030-E1036 PolarHBondContact N-O 3.09Å; V1030-E1036 PolarHBondContact O-N 3.19Å; E1036-V1046 HydrophobicContact CB-CG2 4.26Å; E1036-V1046 WeakPolarHBondContact OE2-CG2 3.48Å; E1036-R1048 IonicContact OE1-CZ 2.74Å; E1036-R1048 IonicContact OE1-NE 3.7Å; E1036-R1048 PolarHBondContact OE1-NE 3.13Å; E1036-R1048 IonicContact OE1-NH2 2.81Å; E1036-R1048 PolarHBondContact OE1-NH2 3.36Å
1037	I	88.6	Confident	85.4	Confident	103 Å²	103	58.2 Å²	58.2	53%	0.528	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	110.3	-178.2	-55.2	179.7	0	0	0	107.6	V1029 R1035 P1039	V1029-I1037 HydrophobicContact CG1-CG1 4.31Å; V1029-I1037 HydrophobicContact CG2-CG1 4.27Å; V1029-I1037 HydrophobicContact CG2-CG2 4.41Å; R1035-I1037 HydrophobicContact CG-CG1 4.35Å; I1037-P1039 WeakPolarHBondContact O-CD 3.45Å
1038	L	88.3	Confident	85	Confident	23 Å²	23	60.1 Å²	60.1	12%	0.12	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.5	169.1	-64.8	-179.9	0	0	0	108.4	G1027 V1028 V1046 V1053 V1055	G1027-L1038 CarbonylContact C-O 3.53Å; G1027-L1038 WeakPolarHBondContact CA-O 3.01Å; V1028-L1038 HydrophobicContact CB-CB 4.39Å; V1028-L1038 PolarHBondContact N-O 3.35Å; V1028-L1038 PolarHBondContact O-N 2.91Å; L1038-V1046 HydrophobicContact CD1-CG2 3.98Å; L1038-V1046 HydrophobicContact CD2-CG2 3.95Å; L1038-V1046 HydrophobicContact CG-CG2 3.93Å; L1038-V1053 HydrophobicContact CD1-CG1 4.48Å; L1038-V1055 HydrophobicContact CB-CB 4.4Å; L1038-V1055 HydrophobicContact CB-CG2 3.91Å; L1038-V1055 HydrophobicContact CD1-CB 4.14Å; L1038-V1055 HydrophobicContact CD1-CG2 3.63Å; L1038-V1055 HydrophobicContact CG-CG2 4.46Å
1039	P	86.8	Confident	84.1	Confident	47 Å²	47	65 Å²	65	31%	0.305	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	143	172.9	32.6	-35.1	0	0	0	109.4	I1037 N1041 Q1042	I1037-P1039 WeakPolarHBondContact O-CD 3.45Å; P1039-N1041 WeakPolarHBondContact CB-OD1 3.42Å; P1039-N1041 PolarHBondContact O-N 3.05Å; P1039-Q1042 HydrophobicContact CG-CB 4.35Å; P1039-Q1042 HydrophobicContact CG-CG 4.38Å; P1039-Q1042 PolarHBondContact O-N 3.38Å
1040	T	84.1	Confident	83.2	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.018	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.3	-175.3	56.9	0	0	0	0	113.6	L1025 D1026 Q1042 N1057 H1058 F1075	L1025-T1040 WeakPolarHBondContact O-CB 3.34Å; L1025-T1040 VanDerWaalsContact O-CG2 3.25Å; L1025-T1040 WeakPolarHBondContact O-CG2 3.45Å; L1025-T1040 PolarHBondContact O-OG1 3.07Å; D1026-T1040 PolarHBondContact O-N 3.02Å; D1026-T1040 VanDerWaalsContact O-N 3.1Å; D1026-T1040 PolarHBondContact O-OG1 3.18Å; T1040-Q1042 PolarHBondContact O-N 2.96Å; T1040-N1057 CarbonylContact O-C 3.59Å; T1040-N1057 WeakPolarHBondContact O-CA 3.41Å; T1040-H1058 PolarHBondContact O-N 3.03Å; T1040-H1058 PolarHBondContact OG1-CE1 3.2Å; T1040-H1058 PolarHBondContact OG1-ND1 3.27Å; T1040-F1075 HydrophobicContact CG2-CD1 4.29Å; T1040-F1075 HydrophobicContact CG2-CE1 3.72Å; T1040-F1075 HydrophobicContact CG2-CE2 4.08Å; T1040-F1075 HydrophobicContact CG2-CZ 3.6Å
1041	N	79.3	Confident	82.9	Confident	85 Å²	85	67.2 Å²	67.2	46%	0.455	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	8.9	-179.2	72.7	-14.9	0	0	0	115.1	P1039 N1057 H1058	P1039-N1041 WeakPolarHBondContact CB-OD1 3.42Å; P1039-N1041 PolarHBondContact O-N 3.05Å; N1041-N1057 PolarHBondContact O-OD1 2.83Å; N1041-H1058 WeakPolarHBondContact CA-NE2 3.42Å; N1041-H1058 WeakPolarHBondContact CB-NE2 3.45Å
1042	Q	79.6	Confident	83.1	Confident	116 Å²	116	67 Å²	67	54%	0.542	37%	0.368	S	S	.	.	S	Bend	trans	-135.3	156.9	179.2	-68.2	175	17.1	0	0	110	P1039 T1040 N1057	P1039-Q1042 HydrophobicContact CG-CB 4.35Å; P1039-Q1042 HydrophobicContact CG-CG 4.38Å; P1039-Q1042 PolarHBondContact O-N 3.38Å; T1040-Q1042 PolarHBondContact O-N 2.96Å; Q1042-N1057 PolarHBondContact O-N 3.26Å
1043	Q	85.6	Confident	83.6	Confident	147 Å²	147	65.8 Å²	65.8	69%	0.687	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.3	167.5	-168.5	178.1	70.6	0	0	108.6	V1055 D1056	Q1043-V1055 WeakPolarHBondContact CA-O 3.41Å; Q1043-D1056 PolarHBondContact NE2-OD1 2.74Å
1044	G	86.3	Confident	84.6	Confident	23 Å²	23	61.2 Å²	61.2	24%	0.237	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	158.4	-176.7	0	0	0	0	0	112.7	T1054 V1055	G1044-T1054 CarbonylContact O-C 3.55Å; G1044-T1054 WeakPolarHBondContact O-CA 3.41Å; G1044-V1055 PolarHBondContact N-O 3.17Å; G1044-V1055 PolarHBondContact O-N 3.49Å
1045	S	90.1	Very high	85.3	Confident	65 Å²	65	59.8 Å²	59.8	46%	0.455	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.1	-179.5	-168.2	0	0	0	0	111.8	T1052 V1053 T1054	S1045-T1052 WeakPolarHBondContact OG-CG2 3.47Å; S1045-V1053 CarbonylContact C-O 3.59Å; S1045-V1053 VanDerWaalsContact CA-O 3.23Å; S1045-V1053 WeakPolarHBondContact CA-O 3.38Å; S1045-V1053 PolarHBondContact OG-O 2.9Å; S1045-T1054 PolarHBondContact OG-OG1 3.32Å
1046	V	89.9	Confident	85	Confident	4 Å²	4	54 Å²	54	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.9	176.7	178.2	0	0	0	0	108.1	E1036 L1038 R1048 T1052 V1053	E1036-V1046 HydrophobicContact CB-CG2 4.26Å; E1036-V1046 WeakPolarHBondContact OE2-CG2 3.48Å; L1038-V1046 HydrophobicContact CD1-CG2 3.98Å; L1038-V1046 HydrophobicContact CD2-CG2 3.95Å; L1038-V1046 HydrophobicContact CG-CG2 3.93Å; V1046-R1048 HydrophobicContact CG1-CG 3.97Å; V1046-T1052 WeakPolarHBondContact O-CA 3.49Å; V1046-V1053 PolarHBondContact N-O 3.03Å; V1046-V1053 PolarHBondContact O-N 3.44Å
1047	T	86.3	Confident	84.5	Confident	95 Å²	95	54.1 Å²	54.1	58%	0.583	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.5	175.9	-63	0	0	0	0	109.8	M1051 T1052	T1047-M1051 CarbonylContact C-O 3.59Å; T1047-M1051 VanDerWaalsContact CA-O 3.29Å; T1047-M1051 WeakPolarHBondContact CA-O 3.24Å; T1047-T1052 WeakPolarHBondContact OG1-CG2 3.44Å; T1047-T1052 PolarHBondContact OG1-OG1 3.2Å
1048	R	80.3	Confident	83.7	Confident	48 Å²	48	53.1 Å²	53.1	18%	0.181	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134.7	-177	-71.6	177.8	170.3	-156.8	-0.7	110.3	G1034 E1036 V1046 G1050 M1051	G1034-R1048 PolarHBondContact O-NH1 3.33Å; G1034-R1048 PolarHBondContact O-NH2 3.06Å; E1036-R1048 IonicContact OE1-CZ 2.74Å; E1036-R1048 IonicContact OE1-NE 3.7Å; E1036-R1048 PolarHBondContact OE1-NE 3.13Å; E1036-R1048 IonicContact OE1-NH2 2.81Å; E1036-R1048 PolarHBondContact OE1-NH2 3.36Å; V1046-R1048 HydrophobicContact CG1-CG 3.97Å; R1048-G1050 PolarHBondContact O-N 3.4Å; R1048-M1051 PolarHBondContact N-O 3.41Å; R1048-M1051 WeakPolarHBondContact O-CB 3.29Å; R1048-M1051 PolarHBondContact O-N 3.2Å
1049	Q	72.8	Confident	83.2	Confident	102 Å²	102	57.5 Å²	57.5	48%	0.477	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	28.8	175.3	-56.5	-170.9	-1.3	0	0	115.9	S1016 I1019 E1033	S1016-Q1049 PolarHBondContact OG-NE2 2.67Å; I1019-Q1049 HydrophobicContact CD1-CB 4.15Å; I1019-Q1049 HydrophobicContact CD1-CG 4.25Å; E1033-Q1049 PolarHBondContact OE1-NE2 2.81Å; E1033-Q1049 PolarHBondContact OE2-NE2 3Å
1050	G	72.4	Confident	83.1	Confident	63 Å²	63	55.2 Å²	55.2	65%	0.649	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	4.9	-178.6	0	0	0	0	0	115.5	R1048	R1048-G1050 PolarHBondContact O-N 3.4Å
1051	M	86	Confident	83.4	Confident	9 Å²	9	55.1 Å²	55.1	4%	0.044	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	146.5	164	167.1	-173.2	84.1	0	0	110.2	L1011 I1019 I1021 V1030 T1047 R1048 V1053 E1064 L1065	L1011-M1051 HydrophobicContact CD1-SD 3.58Å; L1011-M1051 VanDerWaalsContact CD1-SD 3.58Å; I1019-M1051 HydrophobicContact CG2-CE 3.64Å; I1019-M1051 HydrophobicContact CG2-SD 4.1Å; I1021-M1051 HydrophobicContact CD1-CE 4.42Å; I1021-M1051 HydrophobicContact CD1-SD 3.7Å; I1021-M1051 HydrophobicContact CG1-CE 4.39Å; I1021-M1051 HydrophobicContact CG1-SD 4.18Å; V1030-M1051 HydrophobicContact CG1-CE 3.96Å; T1047-M1051 CarbonylContact C-O 3.59Å; T1047-M1051 VanDerWaalsContact CA-O 3.29Å; T1047-M1051 WeakPolarHBondContact CA-O 3.24Å; R1048-M1051 PolarHBondContact N-O 3.41Å; R1048-M1051 WeakPolarHBondContact O-CB 3.29Å; R1048-M1051 PolarHBondContact O-N 3.2Å; M1051-V1053 HydrophobicContact CE-CG2 3.96Å; M1051-V1053 HydrophobicContact CG-CG2 4.26Å; M1051-V1053 HydrophobicContact SD-CG2 4.11Å; M1051-E1064 CarbonylContact C-O 3.56Å; M1051-E1064 VanDerWaalsContact CA-O 3.27Å; M1051-E1064 WeakPolarHBondContact CA-O 3.46Å; M1051-L1065 HydrophobicContact CB-CD2 4.2Å; M1051-L1065 HydrophobicContact CG-CD2 3.78Å; M1051-L1065 HydrophobicContact SD-CD2 3.95Å
1052	T	89.2	Confident	83.9	Confident	37 Å²	37	54.8 Å²	54.8	23%	0.227	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.7	168.6	-63.4	0	0	0	0	110.4	S1045 V1046 T1047 E1064	S1045-T1052 WeakPolarHBondContact OG-CG2 3.47Å; V1046-T1052 WeakPolarHBondContact O-CA 3.49Å; T1047-T1052 WeakPolarHBondContact OG1-CG2 3.44Å; T1047-T1052 PolarHBondContact OG1-OG1 3.2Å; T1052-E1064 PolarHBondContact N-O 3Å; T1052-E1064 PolarHBondContact O-N 3.4Å
1053	V	91.9	Very high	84.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.1	171.9	178	0	0	0	0	108	I1021 V1028 V1030 L1038 S1045 V1046 M1051 W1062 I1063	I1021-V1053 HydrophobicContact CD1-CG2 3.67Å; I1021-V1053 HydrophobicContact CG1-CG2 4.25Å; V1028-V1053 HydrophobicContact CG1-CG1 3.87Å; V1030-V1053 HydrophobicContact CG2-CB 4.44Å; V1030-V1053 HydrophobicContact CG2-CG1 4.47Å; V1030-V1053 HydrophobicContact CG2-CG2 4.29Å; L1038-V1053 HydrophobicContact CD1-CG1 4.48Å; S1045-V1053 CarbonylContact C-O 3.59Å; S1045-V1053 VanDerWaalsContact CA-O 3.23Å; S1045-V1053 WeakPolarHBondContact CA-O 3.38Å; S1045-V1053 PolarHBondContact OG-O 2.9Å; V1046-V1053 PolarHBondContact N-O 3.03Å; V1046-V1053 PolarHBondContact O-N 3.44Å; M1051-V1053 HydrophobicContact CE-CG2 3.96Å; M1051-V1053 HydrophobicContact CG-CG2 4.26Å; M1051-V1053 HydrophobicContact SD-CG2 4.11Å; V1053-W1062 CarbonylContact C-O 3.52Å; V1053-W1062 WeakPolarHBondContact CA-O 3.46Å; V1053-I1063 HydrophobicContact CG2-CG2 4.35Å
1054	T	90.3	Very high	84.7	Confident	46 Å²	46	45.8 Å²	45.8	28%	0.282	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.5	-176.6	-59.6	0	0	0	0	110.6	G1044 S1045 C1061 W1062	G1044-T1054 CarbonylContact O-C 3.55Å; G1044-T1054 WeakPolarHBondContact O-CA 3.41Å; S1045-T1054 PolarHBondContact OG-OG1 3.32Å; T1054-C1061 CarbonylContact O-C 3.56Å; T1054-C1061 VanDerWaalsContact O-CA 3.28Å; T1054-C1061 WeakPolarHBondContact O-CA 3.39Å; T1054-W1062 PolarHBondContact N-O 2.93Å; T1054-W1062 PolarHBondContact O-N 3.15Å
1055	V	89.9	Confident	84.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.7	177.6	175.6	0	0	0	0	109.5	V1028 L1038 Q1043 G1044 C1061 F1075	V1028-V1055 HydrophobicContact CB-CG2 3.96Å; V1028-V1055 HydrophobicContact CG2-CG2 3.72Å; L1038-V1055 HydrophobicContact CB-CB 4.4Å; L1038-V1055 HydrophobicContact CB-CG2 3.91Å; L1038-V1055 HydrophobicContact CD1-CB 4.14Å; L1038-V1055 HydrophobicContact CD1-CG2 3.63Å; L1038-V1055 HydrophobicContact CG-CG2 4.46Å; Q1043-V1055 WeakPolarHBondContact CA-O 3.41Å; G1044-V1055 PolarHBondContact N-O 3.17Å; G1044-V1055 PolarHBondContact O-N 3.49Å; V1055-C1061 HydrophobicContact CG2-CB 4.21Å; V1055-F1075 HydrophobicContact CG1-CE2 4.48Å
1056	D	80.4	Confident	83.5	Confident	41 Å²	41	45.4 Å²	45.4	22%	0.219	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	82	-175.4	-169.3	34.9	0	0	0	110.7	Q1043 H1058 Q1059 S1060	Q1043-D1056 PolarHBondContact NE2-OD1 2.74Å; D1056-H1058 PolarHBondContact O-N 3.3Å; D1056-Q1059 WeakPolarHBondContact O-CB 3.29Å; D1056-Q1059 PolarHBondContact O-N 3.36Å; D1056-S1060 PolarHBondContact N-O 2.72Å; D1056-S1060 PolarHBondContact O-N 2.87Å
1057	N	76.4	Confident	82.6	Confident	80 Å²	80	54.7 Å²	54.7	43%	0.428	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	29.1	75.5	166.6	-169.3	12.8	0	0	0	115.7	T1040 N1041 Q1042 Q1059	T1040-N1057 CarbonylContact O-C 3.59Å; T1040-N1057 WeakPolarHBondContact O-CA 3.41Å; N1041-N1057 PolarHBondContact O-OD1 2.83Å; Q1042-N1057 PolarHBondContact O-N 3.26Å; N1057-Q1059 PolarHBondContact O-N 3.31Å
1058	H	73	Confident	82.1	Confident	82 Å²	82	51.1 Å²	51.1	38%	0.38	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	5.3	-179.6	-64.8	-56.6	0	0	0	117.1	T1040 N1041 D1056 F1075	T1040-H1058 PolarHBondContact O-N 3.03Å; T1040-H1058 PolarHBondContact OG1-CE1 3.2Å; T1040-H1058 PolarHBondContact OG1-ND1 3.27Å; N1041-H1058 WeakPolarHBondContact CA-NE2 3.42Å; N1041-H1058 WeakPolarHBondContact CB-NE2 3.45Å; D1056-H1058 PolarHBondContact O-N 3.3Å; H1058-F1075 WeakPolarHBondContact O-CB 3.47Å
1059	Q	76.3	Confident	82.4	Confident	114 Å²	114	49 Å²	49	53%	0.533	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-56.5	178.8	-58.4	-175.1	49	0	0	111.9	D1056 N1057 F1075	D1056-Q1059 WeakPolarHBondContact O-CB 3.29Å; D1056-Q1059 PolarHBondContact O-N 3.36Å; N1057-Q1059 PolarHBondContact O-N 3.31Å; Q1059-F1075 PolarHBondContact O-N 3.21Å; Q1059-F1075 VanDerWaalsContact O-N 3.15Å
1060	S	84.8	Confident	83.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	163.2	-173.5	70.6	0	0	0	0	114.6	D1056 V1073 F1075	D1056-S1060 PolarHBondContact N-O 2.72Å; D1056-S1060 PolarHBondContact O-N 2.87Å; S1060-V1073 CarbonylContact C-O 3.58Å; S1060-V1073 VanDerWaalsContact CA-O 3.29Å; S1060-V1073 WeakPolarHBondContact CA-O 3.17Å; S1060-F1075 VanDerWaalsContact C-CE2 3.49Å
1061	C	90.4	Very high	84	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.9	164.2	-177	0	0	0	0	109.4	L1023 V1028 T1054 V1055 V1073 F1075	L1023-C1061 HydrophobicContact CD2-CB 3.88Å; V1028-C1061 HydrophobicContact CG2-CB 4.47Å; T1054-C1061 CarbonylContact O-C 3.56Å; T1054-C1061 VanDerWaalsContact O-CA 3.28Å; T1054-C1061 WeakPolarHBondContact O-CA 3.39Å; V1055-C1061 HydrophobicContact CG2-CB 4.21Å; C1061-V1073 HydrophobicContact CB-CB 4.38Å; C1061-V1073 PolarHBondContact N-O 2.83Å; C1061-V1073 PolarHBondContact O-N 3.42Å; C1061-F1075 HydrophobicContact CB-CE2 3.93Å; C1061-F1075 HydrophobicContact CB-CZ 3.88Å
1062	W	89.7	Confident	84	Confident	78 Å²	78	45.3 Å²	45.3	30%	0.295	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	140.3	172.9	-68.9	88.5	0	0	0	110.3	V1053 T1054 R1070 L1072 T1094 V1157	V1053-W1062 CarbonylContact C-O 3.52Å; V1053-W1062 WeakPolarHBondContact CA-O 3.46Å; T1054-W1062 PolarHBondContact N-O 2.93Å; T1054-W1062 PolarHBondContact O-N 3.15Å; W1062-R1070 HydrophobicContact CE3-CG 4.21Å; W1062-R1070 HydrophobicContact CZ3-CG 4.49Å; W1062-L1072 HydrophobicContact CD2-CB 4.45Å; W1062-L1072 HydrophobicContact CD2-CD1 3.94Å; W1062-L1072 HydrophobicContact CE3-CB 4.02Å; W1062-L1072 HydrophobicContact CE3-CD1 4.35Å; W1062-L1072 HydrophobicContact CG-CD1 4.37Å; W1062-L1072 HydrophobicContact CH2-CB 4.32Å; W1062-L1072 HydrophobicContact CH2-CD1 4.37Å; W1062-L1072 HydrophobicContact CH2-CD2 3.94Å; W1062-L1072 HydrophobicContact CH2-CG 4.45Å; W1062-L1072 HydrophobicContact CZ2-CD1 3.94Å; W1062-L1072 HydrophobicContact CZ2-CD2 4.06Å; W1062-L1072 HydrophobicContact CZ2-CG 4.47Å; W1062-L1072 HydrophobicContact CZ3-CB 3.96Å; W1062-L1072 HydrophobicContact CZ3-CD2 4.42Å; W1062-T1094 HydrophobicContact CZ3-CG2 4.07Å; W1062-V1157 HydrophobicContact CZ2-CG2 4.13Å
1063	I	91.9	Very high	84	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	104.3	179.5	-54.5	174.7	0	0	0	107.7	I1009 I1021 L1023 V1053 L1065 R1070 F1071	I1009-I1063 HydrophobicContact CD1-CD1 3.6Å; I1021-I1063 HydrophobicContact CD1-CD1 4.14Å; I1021-I1063 HydrophobicContact CD1-CG2 3.64Å; L1023-I1063 HydrophobicContact CD1-CD1 3.97Å; L1023-I1063 HydrophobicContact CD2-CD1 4.12Å; V1053-I1063 HydrophobicContact CG2-CG2 4.35Å; I1063-L1065 HydrophobicContact CG2-CD2 4.1Å; I1063-L1065 HydrophobicContact CG2-CG 4.35Å; I1063-R1070 WeakPolarHBondContact O-CA 3.42Å; I1063-F1071 HydrophobicContact CB-CB 4.29Å; I1063-F1071 HydrophobicContact CG2-CD2 4.45Å; I1063-F1071 PolarHBondContact N-O 3.05Å; I1063-F1071 PolarHBondContact O-N 2.8Å
1064	E	89.7	Confident	83.6	Confident	75 Å²	75	44 Å²	44	35%	0.35	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.2	178.3	-54.6	-134.7	-162.3	0	0	109.6	M1051 T1052 R1070	M1051-E1064 CarbonylContact C-O 3.56Å; M1051-E1064 VanDerWaalsContact CA-O 3.27Å; M1051-E1064 WeakPolarHBondContact CA-O 3.46Å; T1052-E1064 PolarHBondContact N-O 3Å; T1052-E1064 PolarHBondContact O-N 3.4Å; E1064-R1070 VanDerWaalsContact CD-CZ 3.47Å; E1064-R1070 HydrophobicContact CG-CG 4.21Å; E1064-R1070 IonicContact OE1-CZ 3.15Å; E1064-R1070 IonicContact OE1-NE 3.24Å; E1064-R1070 PolarHBondContact OE1-NE 2.84Å; E1064-R1070 IonicContact OE1-NH2 2.73Å; E1064-R1070 PolarHBondContact OE1-NH2 3.24Å; E1064-R1070 IonicContact OE2-CZ 3.92Å; E1064-R1070 VanDerWaalsContact OE2-CZ 3.22Å; E1064-R1070 IonicContact OE2-NE 3.52Å; E1064-R1070 PolarHBondContact OE2-NE 3.1Å; E1064-R1070 IonicContact OE2-NH2 2.69Å; E1064-R1070 PolarHBondContact OE2-NH2 3.16Å
1065	L	83.9	Confident	83.3	Confident	13 Å²	13	42.3 Å²	42.3	7%	0.068	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	168.1	177.3	-57.2	179.4	0	0	0	110.3	I981 L1011 M1051 I1063 K1067 V1069 F1071	I981-L1065 HydrophobicContact CD1-CD1 4.22Å; I981-L1065 HydrophobicContact CG2-CD1 4.22Å; L1011-L1065 HydrophobicContact CD1-CD2 3.64Å; L1011-L1065 HydrophobicContact CD2-CD1 4.05Å; L1011-L1065 HydrophobicContact CD2-CD2 3.98Å; L1011-L1065 HydrophobicContact CG-CD2 4.46Å; M1051-L1065 HydrophobicContact CB-CD2 4.2Å; M1051-L1065 HydrophobicContact CG-CD2 3.78Å; M1051-L1065 HydrophobicContact SD-CD2 3.95Å; I1063-L1065 HydrophobicContact CG2-CD2 4.1Å; I1063-L1065 HydrophobicContact CG2-CG 4.35Å; L1065-K1067 PolarHBondContact O-N 2.79Å; L1065-V1069 HydrophobicContact CB-CB 4.04Å; L1065-V1069 HydrophobicContact CB-CG1 4.24Å; L1065-V1069 HydrophobicContact CD1-CG1 3.95Å; L1065-V1069 PolarHBondContact N-O 2.84Å; L1065-F1071 HydrophobicContact CD1-CD2 4.18Å; L1065-F1071 HydrophobicContact CD1-CE2 3.54Å; L1065-F1071 HydrophobicContact CD1-CZ 4.1Å
1066	A	67.6	Low	82.9	Confident	66 Å²	66	43.4 Å²	43.4	55%	0.545	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	111.8	-170.5	0	0	0	0	0	114	R979	R979-A1066 PolarHBondContact NH1-O 3.44Å
1067	K	72.1	Confident	82.6	Confident	199 Å²	199	45.4 Å²	45.4	87%	0.865	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	36.8	97.4	175.8	-75.2	-171.2	177.3	179.6	0	115.3	L1065	L1065-K1067 PolarHBondContact O-N 2.79Å
1068	G	76.1	Confident	82	Confident	21 Å²	21	44.3 Å²	44.3	22%	0.216	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	14.5	168.5	0	0	0	0	0	114.9	G1096 R1097 G1098	G1068-G1096 CarbonylContact O-C 3.54Å; G1068-R1097 PolarHBondContact O-N 2.81Å; G1068-G1098 PolarHBondContact O-N 2.83Å
1069	V	86.4	Confident	80.6	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.2	170.6	-175.2	0	0	0	0	108.2	I981 L1065 F1071 D1095 L1099	I981-V1069 HydrophobicContact CD1-CG1 4.46Å; L1065-V1069 HydrophobicContact CB-CB 4.04Å; L1065-V1069 HydrophobicContact CB-CG1 4.24Å; L1065-V1069 HydrophobicContact CD1-CG1 3.95Å; L1065-V1069 PolarHBondContact N-O 2.84Å; V1069-F1071 HydrophobicContact CG1-CE1 3.76Å; V1069-F1071 HydrophobicContact CG1-CE2 4.4Å; V1069-F1071 HydrophobicContact CG1-CZ 3.67Å; V1069-D1095 CarbonylContact C-O 3.51Å; V1069-D1095 VanDerWaalsContact CA-O 3.31Å; V1069-D1095 WeakPolarHBondContact CA-O 3.27Å; V1069-L1099 HydrophobicContact CG1-CD2 3.86Å; V1069-L1099 HydrophobicContact CG1-CG 4.25Å; V1069-L1099 HydrophobicContact CG2-CD2 4.01Å; V1069-L1099 HydrophobicContact CG2-CG 4.01Å
1070	R	87.5	Confident	79	Confident	96 Å²	96	50.5 Å²	50.5	36%	0.362	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	124.5	-179.1	-173.7	-173.9	-72.7	-180	-10.3	110.7	W1062 I1063 E1064 T1094 D1095	W1062-R1070 HydrophobicContact CE3-CG 4.21Å; W1062-R1070 HydrophobicContact CZ3-CG 4.49Å; I1063-R1070 WeakPolarHBondContact O-CA 3.42Å; E1064-R1070 VanDerWaalsContact CD-CZ 3.47Å; E1064-R1070 HydrophobicContact CG-CG 4.21Å; E1064-R1070 IonicContact OE1-CZ 3.15Å; E1064-R1070 IonicContact OE1-NE 3.24Å; E1064-R1070 PolarHBondContact OE1-NE 2.84Å; E1064-R1070 IonicContact OE1-NH2 2.73Å; E1064-R1070 PolarHBondContact OE1-NH2 3.24Å; E1064-R1070 IonicContact OE2-CZ 3.92Å; E1064-R1070 VanDerWaalsContact OE2-CZ 3.22Å; E1064-R1070 IonicContact OE2-NE 3.52Å; E1064-R1070 PolarHBondContact OE2-NE 3.1Å; E1064-R1070 IonicContact OE2-NH2 2.69Å; E1064-R1070 PolarHBondContact OE2-NH2 3.16Å; R1070-T1094 WeakPolarHBondContact CG-OG1 3.25Å; R1070-T1094 PolarHBondContact O-N 2.92Å; R1070-T1094 PolarHBondContact O-OG1 2.84Å; R1070-D1095 HydrophobicContact CB-CB 4.04Å; R1070-D1095 PolarHBondContact N-O 3.3Å; R1070-D1095 PolarHBondContact O-N 2.77Å; R1070-D1095 VanDerWaalsContact O-N 3.09Å
1071	F	90.8	Very high	77.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	154	174.3	-46.1	-45.6	0	0	0	111.1	L974 I981 V983 I1009 I1063 L1065 V1069 F1091 Y1092 I1093	L974-F1071 HydrophobicContact CD1-CE1 4.45Å; L974-F1071 HydrophobicContact CD1-CZ 4.45Å; I981-F1071 HydrophobicContact CG2-CE2 4.37Å; I981-F1071 HydrophobicContact CG2-CZ 4.37Å; V983-F1071 HydrophobicContact CG2-CE2 3.98Å; V983-F1071 HydrophobicContact CG2-CZ 4.26Å; I1009-F1071 HydrophobicContact CD1-CD2 3.72Å; I1009-F1071 HydrophobicContact CD1-CE2 4.16Å; I1063-F1071 HydrophobicContact CB-CB 4.29Å; I1063-F1071 HydrophobicContact CG2-CD2 4.45Å; I1063-F1071 PolarHBondContact N-O 3.05Å; I1063-F1071 PolarHBondContact O-N 2.8Å; L1065-F1071 HydrophobicContact CD1-CD2 4.18Å; L1065-F1071 HydrophobicContact CD1-CE2 3.54Å; L1065-F1071 HydrophobicContact CD1-CZ 4.1Å; V1069-F1071 HydrophobicContact CG1-CE1 3.76Å; V1069-F1071 HydrophobicContact CG1-CE2 4.4Å; V1069-F1071 HydrophobicContact CG1-CZ 3.67Å; F1071-F1091 HydrophobicContact CB-CE2 3.8Å; F1071-F1091 HydrophobicContact CB-CZ 4.22Å; F1071-F1091 HydrophobicContact CD1-CE2 4.31Å; F1071-F1091 AromaticContact CD1-CZ 3.86Å; F1071-F1091 HydrophobicContact CD1-CZ 3.86Å; F1071-F1091 HydrophobicContact CD2-CE2 4.15Å; F1071-F1091 HydrophobicContact CD2-CZ 4.26Å; F1071-F1091 HydrophobicContact CE1-CZ 4.26Å; F1071-F1091 AromaticContact CG-CE2 3.85Å; F1071-F1091 HydrophobicContact CG-CE2 3.85Å; F1071-F1091 AromaticContact CG-CZ 3.86Å; F1071-F1091 HydrophobicContact CG-CZ 3.86Å; F1071-Y1092 CarbonylContact C-O 3.58Å; F1071-Y1092 WeakPolarHBondContact CA-O 3.35Å; F1071-I1093 HydrophobicContact CD1-CB 4.37Å; F1071-I1093 HydrophobicContact CD1-CG1 4.01Å; F1071-I1093 HydrophobicContact CD1-CG2 4.27Å; F1071-I1093 HydrophobicContact CE1-CG1 4.07Å; F1071-I1093 HydrophobicContact CE1-CG2 4.23Å
1072	L	86.2	Confident	75.4	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138	171.1	164.2	66.2	0	0	0	107.4	W1062 L1074 Y1092 T1094 V1157	W1062-L1072 HydrophobicContact CD2-CB 4.45Å; W1062-L1072 HydrophobicContact CD2-CD1 3.94Å; W1062-L1072 HydrophobicContact CE3-CB 4.02Å; W1062-L1072 HydrophobicContact CE3-CD1 4.35Å; W1062-L1072 HydrophobicContact CG-CD1 4.37Å; W1062-L1072 HydrophobicContact CH2-CB 4.32Å; W1062-L1072 HydrophobicContact CH2-CD1 4.37Å; W1062-L1072 HydrophobicContact CH2-CD2 3.94Å; W1062-L1072 HydrophobicContact CH2-CG 4.45Å; W1062-L1072 HydrophobicContact CZ2-CD1 3.94Å; W1062-L1072 HydrophobicContact CZ2-CD2 4.06Å; W1062-L1072 HydrophobicContact CZ2-CG 4.47Å; W1062-L1072 HydrophobicContact CZ3-CB 3.96Å; W1062-L1072 HydrophobicContact CZ3-CD2 4.42Å; L1072-L1074 HydrophobicContact CD1-CD2 3.82Å; L1072-L1074 HydrophobicContact CD2-CD2 4.12Å; L1072-L1074 HydrophobicContact CD2-CG 4.43Å; L1072-L1074 HydrophobicContact CG-CD2 4.07Å; L1072-L1074 HydrophobicContact CG-CG 4.32Å; L1072-Y1092 HydrophobicContact CG-CD2 4.32Å; L1072-Y1092 PolarHBondContact N-O 3.26Å; L1072-Y1092 WeakPolarHBondContact O-CB 3.49Å; L1072-Y1092 WeakPolarHBondContact O-CD2 3.3Å; L1072-Y1092 PolarHBondContact O-N 3.19Å; L1072-T1094 HydrophobicContact CB-CG2 3.58Å; L1072-T1094 HydrophobicContact CD2-CG2 4.27Å; L1072-V1157 HydrophobicContact CD2-CG2 4.38Å
1073	V	87.9	Confident	73.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.1	169.8	175.2	0	0	0	0	108.2	L1007 L1023 S1060 C1061 L1089 G1090 F1091	L1007-V1073 HydrophobicContact CD1-CB 4.48Å; L1007-V1073 HydrophobicContact CD1-CG1 3.87Å; L1007-V1073 HydrophobicContact CD1-CG2 3.72Å; L1023-V1073 HydrophobicContact CD2-CB 4.09Å; L1023-V1073 HydrophobicContact CD2-CG1 4.22Å; L1023-V1073 HydrophobicContact CD2-CG2 4.04Å; S1060-V1073 CarbonylContact C-O 3.58Å; S1060-V1073 VanDerWaalsContact CA-O 3.29Å; S1060-V1073 WeakPolarHBondContact CA-O 3.17Å; C1061-V1073 HydrophobicContact CB-CB 4.38Å; C1061-V1073 PolarHBondContact N-O 2.83Å; C1061-V1073 PolarHBondContact O-N 3.42Å; V1073-L1089 HydrophobicContact CG1-CB 4.15Å; V1073-L1089 HydrophobicContact CG1-CD2 4.19Å; V1073-G1090 CarbonylContact C-O 3.55Å; V1073-G1090 VanDerWaalsContact CA-O 3.24Å; V1073-G1090 WeakPolarHBondContact CA-O 3.5Å; V1073-F1091 HydrophobicContact CG2-CD2 3.99Å
1074	L	83.6	Confident	72.3	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.052	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.4	177	-62.9	-177.4	0	0	0	110.5	L1072 H1076 L1089 G1090 Y1092 V1157	L1072-L1074 HydrophobicContact CD1-CD2 3.82Å; L1072-L1074 HydrophobicContact CD2-CD2 4.12Å; L1072-L1074 HydrophobicContact CD2-CG 4.43Å; L1072-L1074 HydrophobicContact CG-CD2 4.07Å; L1072-L1074 HydrophobicContact CG-CG 4.32Å; L1074-H1076 WeakPolarHBondContact CB-CE1 3.14Å; L1074-H1076 PolarHBondContact O-N 2.89Å; L1074-L1089 WeakPolarHBondContact O-CA 3.33Å; L1074-G1090 PolarHBondContact N-O 3.23Å; L1074-G1090 PolarHBondContact O-N 3.43Å; L1074-Y1092 HydrophobicContact CB-CE2 3.87Å; L1074-Y1092 HydrophobicContact CD1-CD2 4.35Å; L1074-Y1092 HydrophobicContact CD1-CE1 4.42Å; L1074-Y1092 HydrophobicContact CD1-CE2 3.63Å; L1074-Y1092 HydrophobicContact CG-CD2 4.04Å; L1074-Y1092 HydrophobicContact CG-CE2 3.57Å; L1074-V1157 HydrophobicContact CD2-CG2 4.29Å
1075	F	85.6	Confident	71.1	Confident	9 Å²	9	59 Å²	59	4%	0.039	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	95.1	179	-60.9	-68.6	0	0	0	110	T1024 V1028 T1040 V1055 H1058 Q1059 S1060 C1061 H1077 L1089	T1024-F1075 WeakPolarHBondContact O-CE1 3.3Å; V1028-F1075 HydrophobicContact CG2-CZ 4.12Å; T1040-F1075 HydrophobicContact CG2-CD1 4.29Å; T1040-F1075 HydrophobicContact CG2-CE1 3.72Å; T1040-F1075 HydrophobicContact CG2-CE2 4.08Å; T1040-F1075 HydrophobicContact CG2-CZ 3.6Å; V1055-F1075 HydrophobicContact CG1-CE2 4.48Å; H1058-F1075 WeakPolarHBondContact O-CB 3.47Å; Q1059-F1075 PolarHBondContact O-N 3.21Å; Q1059-F1075 VanDerWaalsContact O-N 3.15Å; S1060-F1075 VanDerWaalsContact C-CE2 3.49Å; C1061-F1075 HydrophobicContact CB-CE2 3.93Å; C1061-F1075 HydrophobicContact CB-CZ 3.88Å; F1075-H1077 PolarHBondContact O-N 2.99Å; F1075-H1077 PolarHBondContact O-ND1 2.97Å; F1075-L1089 HydrophobicContact CD1-CD2 3.45Å; F1075-L1089 VanDerWaalsContact CD1-CD2 3.45Å; F1075-L1089 HydrophobicContact CE1-CD2 3.66Å
1076	H	79.8	Confident	70.6	Confident	23 Å²	23	60.4 Å²	60.4	11%	0.106	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	80.5	-174.5	-69.4	-36.4	0	0	0	113	D943 L1074 Y1078 A1087 H1088 Y1092 K1154	D943-H1076 IonicContact OD1-CD2 3.85Å; D943-H1076 PolarHBondContact OD1-CD2 3.11Å; D943-H1076 VanDerWaalsContact OD1-CD2 3.25Å; D943-H1076 IonicContact OD1-NE2 2.75Å; D943-H1076 PolarHBondContact OD1-NE2 2.93Å; L1074-H1076 WeakPolarHBondContact CB-CE1 3.14Å; L1074-H1076 PolarHBondContact O-N 2.89Å; H1076-Y1078 WeakPolarHBondContact O-CD2 3.21Å; H1076-A1087 VanDerWaalsContact O-CA 3.3Å; H1076-A1087 WeakPolarHBondContact O-CA 3.49Å; H1076-H1088 WeakPolarHBondContact CB-O 3.37Å; H1076-H1088 AromaticContact CD2-CD2 3.96Å; H1076-H1088 AromaticContact CD2-NE2 3.63Å; H1076-H1088 PolarHBondContact N-O 3.28Å; H1076-H1088 PolarHBondContact O-N 3.19Å; H1076-Y1092 PolarHBondContact NE2-OH 2.86Å; H1076-K1154 PolarHBondContact CD2-NZ 3.13Å; H1076-K1154 PolarHBondContact CE1-NZ 3.01Å; H1076-K1154 VanDerWaalsContact CE1-NZ 3.32Å; H1076-K1154 PolarHBondContact NE2-NZ 3.19Å
1077	H	74.9	Confident	71.3	Confident	83 Å²	83	58.9 Å²	58.9	38%	0.384	29%	0.285	S	S	.	.			trans	-78.4	149.6	169	-63.6	101.1	0	0	0	112.4	F1075	F1075-H1077 PolarHBondContact O-N 2.99Å; F1075-H1077 PolarHBondContact O-ND1 2.97Å
1078	Y	62.9	Low	72	Confident	58 Å²	58	49.6 Å²	49.6	23%	0.227	24%	0.244	C	C	.	.			trans	-125	127.6	177.2	-70.4	-102.1	0	0	0	108.5	H1076 H1080 Q1085 M1086 H1088	H1076-Y1078 WeakPolarHBondContact O-CD2 3.21Å; Y1078-H1080 VanDerWaalsContact C-N 3.33Å; Y1078-Q1085 HydrophobicContact CD1-CB 4.06Å; Y1078-Q1085 HydrophobicContact CD1-CG 4.2Å; Y1078-Q1085 HydrophobicContact CE1-CB 3.9Å; Y1078-Q1085 HydrophobicContact CE1-CG 3.71Å; Y1078-Q1085 HydrophobicContact CE2-CB 4.44Å; Y1078-Q1085 HydrophobicContact CG-CB 4.4Å; Y1078-M1086 VanDerWaalsContact CE2-O 3.28Å; Y1078-M1086 WeakPolarHBondContact CE2-O 3.35Å; Y1078-H1088 AromaticContact CE2-CE1 3.79Å; Y1078-H1088 AromaticContact CE2-ND1 3.87Å
1079	K	43.9	Very low	72.6	Confident	192 Å²	192	48.6 Å²	48.6	84%	0.835	23%	0.234	S	C	*	.	S	Bend	trans	-66	-37	175	-65.8	-174.7	178.3	-178.8	0	111.8
1080	H	44.3	Very low	72.5	Confident	133 Å²	133	48.5 Å²	48.5	62%	0.616	23%	0.233	S	C	*	.	S	Bend	trans	-135	79	-179.8	-50.3	-84.4	0	0	0	109.5	Y1078 N1082	Y1078-H1080 VanDerWaalsContact C-N 3.33Å; H1080-N1082 PolarHBondContact O-N 3.04Å
1081	P	46.7	Very low	72.6	Confident	78 Å²	78	44 Å²	44	51%	0.506	22%	0.216	S	C	.	.			trans	-72.1	123.8	-178.1	26.2	-31.3	0	0	0	111.8	Q1085	P1081-Q1085 HydrophobicContact CB-CB 4.38Å; P1081-Q1085 WeakPolarHBondContact CB-O 3.01Å
1082	N	52.5	Low	72.2	Confident	57 Å²	57	44 Å²	44	31%	0.305	22%	0.216	S	C	.	.			trans	-78.1	169.9	167.2	76.2	35	0	0	0	111.7	H1080 L1084 Q1085	H1080-N1082 PolarHBondContact O-N 3.04Å; N1082-L1084 PolarHBondContact O-N 3.25Å; N1082-L1084 WeakPolarHBondContact OD1-CA 3.41Å; N1082-L1084 PolarHBondContact OD1-N 2.93Å; N1082-Q1085 PolarHBondContact O-N 3.15Å; N1082-Q1085 VanDerWaalsContact O-O 3.12Å; N1082-Q1085 WeakPolarHBondContact OD1-CG 3.34Å; N1082-Q1085 PolarHBondContact OD1-N 3.12Å
1083	H	57.7	Low	72.2	Confident	87 Å²	87	43.9 Å²	43.9	40%	0.403	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-9.8	-175.8	72.6	-76.6	0	0	0	115.8	K993	K993-H1083 WeakPolarHBondContact CD-NE2 3.42Å
1084	L	57.1	Low	71.8	Confident	50 Å²	50	45.2 Å²	45.2	26%	0.262	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	21.8	174.6	-57.3	177.3	0	0	0	112.1	R1001 Y1003 N1082	R1001-L1084 PolarHBondContact NH1-O 3.24Å; Y1003-L1084 PolarHBondContact OH-O 2.66Å; N1082-L1084 PolarHBondContact O-N 3.25Å; N1082-L1084 WeakPolarHBondContact OD1-CA 3.41Å; N1082-L1084 PolarHBondContact OD1-N 2.93Å
1085	Q	66.3	Low	71.6	Confident	59 Å²	59	45.5 Å²	45.5	28%	0.276	23%	0.226	S	C	.	.			trans	-133.7	115.8	176.4	-71.3	170	-12.2	0	0	108.5	Y1078 P1081 N1082	Y1078-Q1085 HydrophobicContact CD1-CB 4.06Å; Y1078-Q1085 HydrophobicContact CD1-CG 4.2Å; Y1078-Q1085 HydrophobicContact CE1-CB 3.9Å; Y1078-Q1085 HydrophobicContact CE1-CG 3.71Å; Y1078-Q1085 HydrophobicContact CE2-CB 4.44Å; Y1078-Q1085 HydrophobicContact CG-CB 4.4Å; P1081-Q1085 HydrophobicContact CB-CB 4.38Å; P1081-Q1085 WeakPolarHBondContact CB-O 3.01Å; N1082-Q1085 PolarHBondContact O-N 3.15Å; N1082-Q1085 VanDerWaalsContact O-O 3.12Å; N1082-Q1085 WeakPolarHBondContact OD1-CG 3.34Å; N1082-Q1085 PolarHBondContact OD1-N 3.12Å
1086	M	72.3	Confident	71.3	Confident	44 Å²	44	45.4 Å²	45.4	22%	0.217	23%	0.227	C	C	.	.			trans	-110.8	152.3	171.4	-58.4	-168.3	76.4	0	0	109.1	M988 A990 Y1003 Y1078 H1088	M988-M1086 HydrophobicContact CE-CE 3.68Å; M988-M1086 HydrophobicContact CG-SD 4.3Å; M988-M1086 HydrophobicContact SD-CB 3.9Å; M988-M1086 HydrophobicContact SD-CE 3.48Å; M988-M1086 WeakPolarHBondContact SD-CE 3.27Å; M988-M1086 HydrophobicContact SD-CG 4.37Å; M988-M1086 HydrophobicContact SD-SD 3.58Å; A990-M1086 HydrophobicContact CB-SD 4.34Å; Y1003-M1086 HydrophobicContact CD2-CB 4.04Å; Y1003-M1086 HydrophobicContact CD2-CG 4.02Å; Y1003-M1086 HydrophobicContact CD2-SD 4.27Å; Y1003-M1086 HydrophobicContact CE2-CG 4.38Å; Y1003-M1086 HydrophobicContact CG-CB 4.1Å; Y1078-M1086 VanDerWaalsContact CE2-O 3.28Å; Y1078-M1086 WeakPolarHBondContact CE2-O 3.35Å; M1086-H1088 PolarHBondContact O-N 2.72Å; M1086-H1088 PolarHBondContact O-ND1 3.31Å
1087	A	82.4	Confident	71.4	Confident	34 Å²	34	51 Å²	51	28%	0.281	25%	0.247	S	C	.	.			trans	-61	134.5	162.3	0	0	0	0	0	108.4	L1025 H1076	L1025-A1087 HydrophobicContact CD1-CB 3.67Å; L1025-A1087 HydrophobicContact CD2-CB 4.29Å; H1076-A1087 VanDerWaalsContact O-CA 3.3Å; H1076-A1087 WeakPolarHBondContact O-CA 3.49Å
1088	H	87.9	Confident	71.7	Confident	3 Å²	3	47.8 Å²	47.8	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	165.9	-172.4	63.2	-84.1	0	0	0	113.1	D943 Y1003 F1004 H1076 Y1078 M1086	D943-H1088 IonicContact OD1-NE2 2.68Å; D943-H1088 PolarHBondContact OD1-NE2 3.1Å; Y1003-H1088 HydrophobicContact CD1-CB 3.82Å; Y1003-H1088 AromaticContact CD1-CD2 3.99Å; Y1003-H1088 AromaticContact CD1-CE1 3.83Å; Y1003-H1088 AromaticContact CD1-CG 3.54Å; Y1003-H1088 AromaticContact CD1-ND1 3.44Å; Y1003-H1088 WeakPolarHBondContact CD1-ND1 3.12Å; Y1003-H1088 AromaticContact CE1-CE1 3.83Å; Y1003-H1088 AromaticContact CE1-ND1 3.81Å; Y1003-H1088 HydrophobicContact CG-CB 4.28Å; F1004-H1088 CarbonylContact O-C 3.59Å; F1004-H1088 WeakPolarHBondContact O-CA 3.31Å; F1004-H1088 WeakPolarHBondContact O-CB 3.28Å; H1076-H1088 WeakPolarHBondContact CB-O 3.37Å; H1076-H1088 AromaticContact CD2-CD2 3.96Å; H1076-H1088 AromaticContact CD2-NE2 3.63Å; H1076-H1088 PolarHBondContact N-O 3.28Å; H1076-H1088 PolarHBondContact O-N 3.19Å; Y1078-H1088 AromaticContact CE2-CE1 3.79Å; Y1078-H1088 AromaticContact CE2-ND1 3.87Å; M1086-H1088 PolarHBondContact O-N 2.72Å; M1086-H1088 PolarHBondContact O-ND1 3.31Å
1089	L	88.4	Confident	72.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.5	170.9	-52.4	-179.8	0	0	0	109.4	F1004 L1007 L1023 L1025 V1073 L1074 F1075	F1004-L1089 HydrophobicContact CB-CB 4.33Å; F1004-L1089 PolarHBondContact O-N 2.84Å; L1007-L1089 HydrophobicContact CB-CD1 4.27Å; L1007-L1089 HydrophobicContact CD1-CB 3.91Å; L1007-L1089 HydrophobicContact CD1-CD1 3.98Å; L1007-L1089 HydrophobicContact CG-CB 4.33Å; L1007-L1089 HydrophobicContact CG-CD1 3.86Å; L1023-L1089 HydrophobicContact CB-CD1 4.26Å; L1023-L1089 WeakPolarHBondContact O-CD1 3.34Å; L1025-L1089 HydrophobicContact CD2-CD2 4.03Å; V1073-L1089 HydrophobicContact CG1-CB 4.15Å; V1073-L1089 HydrophobicContact CG1-CD2 4.19Å; L1074-L1089 WeakPolarHBondContact O-CA 3.33Å; F1075-L1089 HydrophobicContact CD1-CD2 3.45Å; F1075-L1089 VanDerWaalsContact CD1-CD2 3.45Å; F1075-L1089 HydrophobicContact CE1-CD2 3.66Å
1090	G	84.7	Confident	75	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.7	159.6	0	0	0	0	0	109.4	V942 V1073 L1074 Y1092	V942-G1090 VanDerWaalsContact O-CA 3.31Å; V942-G1090 WeakPolarHBondContact O-CA 3.2Å; V1073-G1090 CarbonylContact C-O 3.55Å; V1073-G1090 VanDerWaalsContact CA-O 3.24Å; V1073-G1090 WeakPolarHBondContact CA-O 3.5Å; L1074-G1090 PolarHBondContact N-O 3.23Å; L1074-G1090 PolarHBondContact O-N 3.43Å; G1090-Y1092 WeakPolarHBondContact O-CD2 3.5Å; G1090-Y1092 WeakPolarHBondContact O-CE2 3.33Å
1091	F	88.2	Confident	76.9	Confident	1 Å²	1	41 Å²	41	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.7	177.7	175.2	-99.9	0	0	0	110.8	S941 V942 L973 V983 L1007 I1009 F1071 V1073 I1093 L1107	S941-F1091 CarbonylContact C-O 3.58Å; S941-F1091 WeakPolarHBondContact CA-O 3.47Å; V942-F1091 HydrophobicContact CG1-CB 4.12Å; V942-F1091 PolarHBondContact N-O 3.21Å; L973-F1091 HydrophobicContact CD1-CB 4.36Å; L973-F1091 HydrophobicContact CD1-CD1 4.05Å; L973-F1091 HydrophobicContact CD1-CG 4.28Å; V983-F1091 HydrophobicContact CG1-CD2 4.41Å; V983-F1091 HydrophobicContact CG1-CE1 4.27Å; V983-F1091 HydrophobicContact CG1-CE2 3.92Å; V983-F1091 HydrophobicContact CG1-CZ 3.85Å; V983-F1091 HydrophobicContact CG2-CZ 4.24Å; L1007-F1091 HydrophobicContact CD1-CB 3.89Å; L1007-F1091 HydrophobicContact CD1-CD2 4.22Å; L1007-F1091 HydrophobicContact CD1-CG 4.49Å; L1007-F1091 HydrophobicContact CD2-CB 4.3Å; I1009-F1091 HydrophobicContact CD1-CE2 4.33Å; F1071-F1091 HydrophobicContact CB-CE2 3.8Å; F1071-F1091 HydrophobicContact CB-CZ 4.22Å; F1071-F1091 HydrophobicContact CD1-CE2 4.31Å; F1071-F1091 AromaticContact CD1-CZ 3.86Å; F1071-F1091 HydrophobicContact CD1-CZ 3.86Å; F1071-F1091 HydrophobicContact CD2-CE2 4.15Å; F1071-F1091 HydrophobicContact CD2-CZ 4.26Å; F1071-F1091 HydrophobicContact CE1-CZ 4.26Å; F1071-F1091 AromaticContact CG-CE2 3.85Å; F1071-F1091 HydrophobicContact CG-CE2 3.85Å; F1071-F1091 AromaticContact CG-CZ 3.86Å; F1071-F1091 HydrophobicContact CG-CZ 3.86Å; V1073-F1091 HydrophobicContact CG2-CD2 3.99Å; F1091-I1093 HydrophobicContact CE1-CD1 4.15Å; F1091-I1093 HydrophobicContact CE1-CG1 3.6Å; F1091-I1093 HydrophobicContact CZ-CG1 3.93Å; F1091-L1107 HydrophobicContact CD1-CD1 4.12Å; F1091-L1107 HydrophobicContact CE1-CD1 4.39Å
1092	Y	83.9	Confident	78.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	122.6	-172.4	-56.5	-100.4	0	0	0	110.4	S940 D943 F1071 L1072 L1074 H1076 G1090 K1154	S940-Y1092 WeakPolarHBondContact O-CA 3.44Å; D943-Y1092 PolarHBondContact OD2-OH 2.83Å; F1071-Y1092 CarbonylContact C-O 3.58Å; F1071-Y1092 WeakPolarHBondContact CA-O 3.35Å; L1072-Y1092 HydrophobicContact CG-CD2 4.32Å; L1072-Y1092 PolarHBondContact N-O 3.26Å; L1072-Y1092 WeakPolarHBondContact O-CB 3.49Å; L1072-Y1092 WeakPolarHBondContact O-CD2 3.3Å; L1072-Y1092 PolarHBondContact O-N 3.19Å; L1074-Y1092 HydrophobicContact CB-CE2 3.87Å; L1074-Y1092 HydrophobicContact CD1-CD2 4.35Å; L1074-Y1092 HydrophobicContact CD1-CE1 4.42Å; L1074-Y1092 HydrophobicContact CD1-CE2 3.63Å; L1074-Y1092 HydrophobicContact CG-CD2 4.04Å; L1074-Y1092 HydrophobicContact CG-CE2 3.57Å; H1076-Y1092 PolarHBondContact NE2-OH 2.86Å; G1090-Y1092 WeakPolarHBondContact O-CD2 3.5Å; G1090-Y1092 WeakPolarHBondContact O-CE2 3.33Å; Y1092-K1154 WeakPolarHBondContact CE1-O 3.49Å; Y1092-K1154 PolarHBondContact OH-O 3.36Å
1093	I	85.4	Confident	80.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	114	166.8	-56.2	179	0	0	0	107.1	S939 S940 L974 F1071 F1091 L1107	S939-I1093 WeakPolarHBondContact CA-O 3.46Å; S940-I1093 PolarHBondContact N-O 2.86Å; S940-I1093 PolarHBondContact O-N 3.4Å; L974-I1093 HydrophobicContact CD1-CD1 3.64Å; F1071-I1093 HydrophobicContact CD1-CB 4.37Å; F1071-I1093 HydrophobicContact CD1-CG1 4.01Å; F1071-I1093 HydrophobicContact CD1-CG2 4.27Å; F1071-I1093 HydrophobicContact CE1-CG1 4.07Å; F1071-I1093 HydrophobicContact CE1-CG2 4.23Å; F1091-I1093 HydrophobicContact CE1-CD1 4.15Å; F1091-I1093 HydrophobicContact CE1-CG1 3.6Å; F1091-I1093 HydrophobicContact CZ-CG1 3.93Å; I1093-L1107 HydrophobicContact CD1-CB 4.4Å
1094	T	78.3	Confident	82	Confident	28 Å²	28	38 Å²	38	17%	0.172	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-26.8	-172.4	64.9	0	0	0	0	113.4	L937 W1062 R1070 L1072	L937-T1094 VanDerWaalsContact CD2-O 3.3Å; L937-T1094 WeakPolarHBondContact CD2-O 3.37Å; W1062-T1094 HydrophobicContact CZ3-CG2 4.07Å; R1070-T1094 WeakPolarHBondContact CG-OG1 3.25Å; R1070-T1094 PolarHBondContact O-N 2.92Å; R1070-T1094 PolarHBondContact O-OG1 2.84Å; L1072-T1094 HydrophobicContact CB-CG2 3.58Å; L1072-T1094 HydrophobicContact CD2-CG2 4.27Å
1095	D	80	Confident	83.5	Confident	17 Å²	17	36 Å²	36	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123	160.1	-169.7	4.2	0	0	0	107.8	V1069 R1070 R1097	V1069-D1095 CarbonylContact C-O 3.51Å; V1069-D1095 VanDerWaalsContact CA-O 3.31Å; V1069-D1095 WeakPolarHBondContact CA-O 3.27Å; R1070-D1095 HydrophobicContact CB-CB 4.04Å; R1070-D1095 PolarHBondContact N-O 3.3Å; R1070-D1095 PolarHBondContact O-N 2.77Å; R1070-D1095 VanDerWaalsContact O-N 3.09Å; D1095-R1097 WeakPolarHBondContact OD1-CB 3.41Å; D1095-R1097 VanDerWaalsContact OD1-CG 3.25Å; D1095-R1097 WeakPolarHBondContact OD1-CG 3.34Å; D1095-R1097 IonicContact OD1-CZ 3.58Å; D1095-R1097 PolarHBondContact OD1-N 3.04Å; D1095-R1097 VanDerWaalsContact OD1-N 3.14Å; D1095-R1097 IonicContact OD1-NE 3.12Å; D1095-R1097 PolarHBondContact OD1-NE 2.84Å; D1095-R1097 IonicContact OD1-NH2 3.95Å; D1095-R1097 IonicContact OD2-CZ 3.19Å; D1095-R1097 IonicContact OD2-NE 3.85Å; D1095-R1097 PolarHBondContact OD2-NE 2.81Å; D1095-R1097 IonicContact OD2-NH2 2.64Å; D1095-R1097 PolarHBondContact OD2-NH2 2.86Å
1096	G	79	Confident	84.5	Confident	6 Å²	6	33.1 Å²	33.1	6%	0.062	16%	0.163	C	C	.	.			trans	-112.2	0.6	178.2	0	0	0	0	0	113.7	G1068 G1098 L1099	G1068-G1096 CarbonylContact O-C 3.54Å; G1096-G1098 PolarHBondContact O-N 2.9Å; G1096-L1099 VanDerWaalsContact O-CB 3.26Å; G1096-L1099 WeakPolarHBondContact O-CB 3.29Å; G1096-L1099 WeakPolarHBondContact O-CG 3.49Å; G1096-L1099 PolarHBondContact O-N 2.86Å
1097	R	82.4	Confident	85.2	Confident	142 Å²	142	31 Å²	31	54%	0.536	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.3	-168.5	-68.2	175.2	-63.1	156.5	1.1	115	G1068 D1095	G1068-R1097 PolarHBondContact O-N 2.81Å; D1095-R1097 WeakPolarHBondContact OD1-CB 3.41Å; D1095-R1097 VanDerWaalsContact OD1-CG 3.25Å; D1095-R1097 WeakPolarHBondContact OD1-CG 3.34Å; D1095-R1097 IonicContact OD1-CZ 3.58Å; D1095-R1097 PolarHBondContact OD1-N 3.04Å; D1095-R1097 VanDerWaalsContact OD1-N 3.14Å; D1095-R1097 IonicContact OD1-NE 3.12Å; D1095-R1097 PolarHBondContact OD1-NE 2.84Å; D1095-R1097 IonicContact OD1-NH2 3.95Å; D1095-R1097 IonicContact OD2-CZ 3.19Å; D1095-R1097 IonicContact OD2-NE 3.85Å; D1095-R1097 PolarHBondContact OD2-NE 2.81Å; D1095-R1097 IonicContact OD2-NH2 2.64Å; D1095-R1097 PolarHBondContact OD2-NH2 2.86Å
1098	G	82	Confident	85.3	Confident	15 Å²	15	29.4 Å²	29.4	16%	0.155	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-25.2	174.3	0	0	0	0	0	114	R979 G1068 G1096	R979-G1098 PolarHBondContact NE-O 2.78Å; R979-G1098 PolarHBondContact NH2-O 2.98Å; G1068-G1098 PolarHBondContact O-N 2.83Å; G1096-G1098 PolarHBondContact O-N 2.9Å
1099	L	86.7	Confident	85.2	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-58.6	139	-176.8	-63.6	169.1	0	0	0	110.5	L974 D976 I981 V1069 G1096 T1103 Q1111 H1112	L974-L1099 HydrophobicContact CD1-CD1 3.68Å; L974-L1099 HydrophobicContact CD1-CD2 4.04Å; L974-L1099 HydrophobicContact CD2-CD2 4.33Å; D976-L1099 HydrophobicContact CB-CD2 4.36Å; D976-L1099 WeakPolarHBondContact OD2-CA 3.39Å; I981-L1099 HydrophobicContact CD1-CD2 4.14Å; V1069-L1099 HydrophobicContact CG1-CD2 3.86Å; V1069-L1099 HydrophobicContact CG1-CG 4.25Å; V1069-L1099 HydrophobicContact CG2-CD2 4.01Å; V1069-L1099 HydrophobicContact CG2-CG 4.01Å; G1096-L1099 VanDerWaalsContact O-CB 3.26Å; G1096-L1099 WeakPolarHBondContact O-CB 3.29Å; G1096-L1099 WeakPolarHBondContact O-CG 3.49Å; G1096-L1099 PolarHBondContact O-N 2.86Å; L1099-T1103 HydrophobicContact CB-CG2 4.49Å; L1099-Q1111 HydrophobicContact CD1-CB 4.45Å; L1099-Q1111 HydrophobicContact CD1-CG 3.88Å; L1099-H1112 PolarHBondContact O-CE1 2.97Å; L1099-H1112 PolarHBondContact O-NE2 2.86Å
1100	S	87.9	Confident	85	Confident	11 Å²	11	30.9 Å²	30.9	8%	0.077	15%	0.146	C	C	.	.			trans	-68.8	164.7	-176.6	74.9	0	0	0	0	113.3	D976 E978 S1102 T1103 H1112	D976-S1100 WeakPolarHBondContact OD1-CB 3.31Å; D976-S1100 PolarHBondContact OD1-OG 2.9Å; D976-S1100 PolarHBondContact OD2-N 3.33Å; E978-S1100 VanDerWaalsContact CD-CB 3.41Å; E978-S1100 WeakPolarHBondContact OE1-CB 3.44Å; E978-S1100 WeakPolarHBondContact OE2-CB 3.23Å; S1100-S1102 PolarHBondContact O-N 2.88Å; S1100-S1102 PolarHBondContact OG-N 3.15Å; S1100-S1102 PolarHBondContact OG-OG 2.85Å; S1100-S1102 VanDerWaalsContact OG-OG 3.05Å; S1100-T1103 PolarHBondContact N-OG1 2.89Å; S1100-T1103 VanDerWaalsContact O-CB 3.29Å; S1100-T1103 WeakPolarHBondContact O-CB 3.29Å; S1100-T1103 PolarHBondContact O-N 3.09Å; S1100-T1103 PolarHBondContact O-OG1 3.14Å; S1100-T1103 PolarHBondContact OG-N 2.82Å; S1100-T1103 PolarHBondContact OG-OG1 3.33Å; S1100-H1112 PolarHBondContact O-CD2 2.89Å; S1100-H1112 PolarHBondContact O-NE2 2.86Å; S1100-H1112 VanDerWaalsContact O-NE2 3.1Å
1101	R	84.1	Confident	84.7	Confident	225 Å²	225	31.2 Å²	31.2	85%	0.849	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.3	175.1	-71.6	-174.6	176.9	-177.5	0.3	113.7	T1103	R1101-T1103 VanDerWaalsContact C-N 3.35Å
1102	S	87	Confident	84.1	Confident	45 Å²	45	35.1 Å²	35.1	32%	0.315	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	3.7	172.1	57.4	0	0	0	0	113.4	P977 E978 S1100 Q1104	P977-S1102 WeakPolarHBondContact CD-O 3.31Å; P977-S1102 WeakPolarHBondContact CG-OG 3.33Å; E978-S1102 WeakPolarHBondContact CG-OG 3.41Å; E978-S1102 WeakPolarHBondContact OE1-CB 3.41Å; E978-S1102 PolarHBondContact OE1-OG 3.24Å; S1100-S1102 PolarHBondContact O-N 2.88Å; S1100-S1102 PolarHBondContact OG-N 3.15Å; S1100-S1102 PolarHBondContact OG-OG 2.85Å; S1100-S1102 VanDerWaalsContact OG-OG 3.05Å; S1102-Q1104 PolarHBondContact O-N 2.93Å
1103	T	89.1	Confident	83.6	Confident	12 Å²	12	35.9 Å²	35.9	7%	0.074	17%	0.171	C	C	.	.			trans	-59.1	123.1	177.2	-56.5	0	0	0	0	111.8	L974 E975 D976 L1099 S1100 R1101	L974-T1103 HydrophobicContact CD1-CG2 4.04Å; L974-T1103 HydrophobicContact CD2-CG2 4.41Å; L974-T1103 HydrophobicContact CG-CG2 3.86Å; E975-T1103 CarbonylContact O-C 3.59Å; E975-T1103 WeakPolarHBondContact O-CA 3.37Å; D976-T1103 HydrophobicContact CB-CG2 4.29Å; L1099-T1103 HydrophobicContact CB-CG2 4.49Å; S1100-T1103 PolarHBondContact N-OG1 2.89Å; S1100-T1103 VanDerWaalsContact O-CB 3.29Å; S1100-T1103 WeakPolarHBondContact O-CB 3.29Å; S1100-T1103 PolarHBondContact O-N 3.09Å; S1100-T1103 PolarHBondContact O-OG1 3.14Å; S1100-T1103 PolarHBondContact OG-N 2.82Å; S1100-T1103 PolarHBondContact OG-OG1 3.33Å; R1101-T1103 VanDerWaalsContact C-N 3.35Å
1104	Q	89.3	Confident	83.2	Confident	101 Å²	101	41.1 Å²	41.1	47%	0.472	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-125.3	-167.8	-177	66.3	179.8	16.9	0	0	111.1	L974 E975 S1102 G1108	L974-Q1104 WeakPolarHBondContact CA-O 3.47Å; E975-Q1104 HydrophobicContact CB-CG 4Å; E975-Q1104 HydrophobicContact CG-CG 4.2Å; E975-Q1104 PolarHBondContact N-O 3.11Å; E975-Q1104 PolarHBondContact O-N 3.39Å; E975-Q1104 PolarHBondContact OE2-NE2 2.8Å; S1102-Q1104 PolarHBondContact O-N 2.93Å; Q1104-G1108 WeakPolarHBondContact O-CA 3.42Å
1105	G	87.6	Confident	83.3	Confident	8 Å²	8	40 Å²	40	8%	0.082	19%	0.192	C	C	.	.	S	Bend	trans	90.8	172.4	-172.5	0	0	0	0	0	112.8	L973 L1107 G1108 Q1109	L973-G1105 CarbonylContact O-C 3.54Å; G1105-L1107 VanDerWaalsContact C-N 3.32Å; G1105-L1107 PolarHBondContact O-N 3.02Å; G1105-G1108 PolarHBondContact O-N 3.14Å; G1105-Q1109 WeakPolarHBondContact O-CG 3.33Å; G1105-Q1109 PolarHBondContact O-N 2.81Å; G1105-Q1109 VanDerWaalsContact O-N 3.14Å
1106	L	88.4	Confident	83.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.9	-163.4	-168.3	63.5	0	0	0	113.7	F948 L971 R972 L973 Q1109 F1110 L1177 Y1184	F948-L1106 HydrophobicContact CE1-CD2 3.83Å; F948-L1106 HydrophobicContact CE1-CG 4.22Å; F948-L1106 HydrophobicContact CE2-CD2 4Å; F948-L1106 HydrophobicContact CZ-CD2 3.29Å; F948-L1106 HydrophobicContact CZ-CG 4.02Å; L971-L1106 HydrophobicContact CD1-CD2 4.13Å; R972-L1106 WeakPolarHBondContact O-CB 3.31Å; R972-L1106 PolarHBondContact O-N 3.06Å; L973-L1106 HydrophobicContact CD2-CD2 4.27Å; L973-L1106 PolarHBondContact O-N 2.76Å; L1106-Q1109 PolarHBondContact O-NE2 2.82Å; L1106-F1110 VanDerWaalsContact O-CE2 3.27Å; L1106-F1110 WeakPolarHBondContact O-CE2 3.34Å; L1106-L1177 HydrophobicContact CD1-CD1 3.72Å; L1106-L1177 HydrophobicContact CD1-CD2 3.75Å; L1106-L1177 HydrophobicContact CD1-CG 4.38Å; L1106-Y1184 HydrophobicContact CB-CD1 3.85Å; L1106-Y1184 HydrophobicContact CB-CE1 4.22Å; L1106-Y1184 HydrophobicContact CB-CG 4.33Å; L1106-Y1184 HydrophobicContact CD1-CD1 4.03Å; L1106-Y1184 HydrophobicContact CD1-CD2 3.93Å; L1106-Y1184 HydrophobicContact CD1-CE1 4.17Å; L1106-Y1184 HydrophobicContact CD1-CE2 4.07Å; L1106-Y1184 HydrophobicContact CD1-CG 3.9Å
1107	L	87.3	Confident	83.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-35.5	170.6	-75.9	178.6	0	0	0	112.6	F948 V950 L973 F1091 I1093 G1105 Q1109 F1110	F948-L1107 HydrophobicContact CB-CD2 4.47Å; F948-L1107 HydrophobicContact CD1-CD1 4.27Å; F948-L1107 HydrophobicContact CD1-CD2 3.61Å; F948-L1107 HydrophobicContact CD1-CG 3.91Å; F948-L1107 HydrophobicContact CE1-CD1 4.47Å; F948-L1107 HydrophobicContact CE1-CD2 4.35Å; F948-L1107 HydrophobicContact CE1-CG 4.16Å; F948-L1107 HydrophobicContact CG-CD2 4.43Å; V950-L1107 HydrophobicContact CG2-CD2 3.94Å; L973-L1107 WeakPolarHBondContact O-CA 3.31Å; L973-L1107 WeakPolarHBondContact O-CB 3.48Å; L973-L1107 PolarHBondContact O-N 2.84Å; F1091-L1107 HydrophobicContact CD1-CD1 4.12Å; F1091-L1107 HydrophobicContact CE1-CD1 4.39Å; I1093-L1107 HydrophobicContact CD1-CB 4.4Å; G1105-L1107 VanDerWaalsContact C-N 3.32Å; G1105-L1107 PolarHBondContact O-N 3.02Å; L1107-Q1109 VanDerWaalsContact C-N 3.3Å; L1107-Q1109 PolarHBondContact O-N 2.87Å; L1107-F1110 PolarHBondContact O-N 2.85Å; L1107-F1110 VanDerWaalsContact O-N 3.11Å
1108	G	84.4	Confident	83.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.2	-37.5	-174.3	0	0	0	0	0	114.2	L973 Q1104 G1105 F1110 Q1111	L973-G1108 PolarHBondContact O-N 2.02Å; L973-G1108 VanDerWaalsContact O-N 3.11Å; Q1104-G1108 WeakPolarHBondContact O-CA 3.42Å; G1105-G1108 PolarHBondContact O-N 3.14Å; G1108-F1110 PolarHBondContact O-N 2.85Å; G1108-Q1111 WeakPolarHBondContact O-CB 3.35Å; G1108-Q1111 WeakPolarHBondContact O-CG 3.42Å; G1108-Q1111 PolarHBondContact O-N 3.42Å
1109	Q	84.5	Confident	83.5	Confident	32 Å²	32	42.3 Å²	42.3	15%	0.15	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.1	-20.4	177.4	67.9	-167.6	-14	0	0	114.7	G1105 L1106 L1107 S1113 L1177 Y1184	G1105-Q1109 WeakPolarHBondContact O-CG 3.33Å; G1105-Q1109 PolarHBondContact O-N 2.81Å; G1105-Q1109 VanDerWaalsContact O-N 3.14Å; L1106-Q1109 PolarHBondContact O-NE2 2.82Å; L1107-Q1109 VanDerWaalsContact C-N 3.3Å; L1107-Q1109 PolarHBondContact O-N 2.87Å; Q1109-S1113 PolarHBondContact O-OG 2.83Å; Q1109-L1177 VanDerWaalsContact NE2-CD2 3.31Å; Q1109-Y1184 PolarHBondContact NE2-OH 3.24Å; Q1109-Y1184 PolarHBondContact OE1-OH 2.9Å
1110	F	84.6	Confident	82.8	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-86.9	-17.5	179.4	-60.5	-62.4	0	0	0	113.8	F938 V950 F961 L1106 L1107 G1108 H1112 S1113 M1115 W1139 L1176 L1177	F938-F1110 VanDerWaalsContact CE1-O 3.3Å; F938-F1110 WeakPolarHBondContact CE1-O 3.26Å; V950-F1110 HydrophobicContact CG1-CB 3.72Å; V950-F1110 HydrophobicContact CG1-CD2 4.4Å; V950-F1110 HydrophobicContact CG1-CG 4.02Å; V950-F1110 HydrophobicContact CG2-CD2 3.95Å; V950-F1110 HydrophobicContact CG2-CE2 4.48Å; V950-F1110 HydrophobicContact CG2-CG 4.4Å; F961-F1110 HydrophobicContact CE1-CE2 4.16Å; F961-F1110 AromaticContact CZ-CE2 3.81Å; F961-F1110 HydrophobicContact CZ-CE2 3.81Å; F961-F1110 HydrophobicContact CZ-CZ 4.33Å; L1106-F1110 VanDerWaalsContact O-CE2 3.27Å; L1106-F1110 WeakPolarHBondContact O-CE2 3.34Å; L1107-F1110 PolarHBondContact O-N 2.85Å; L1107-F1110 VanDerWaalsContact O-N 3.11Å; G1108-F1110 PolarHBondContact O-N 2.85Å; F1110-H1112 PolarHBondContact O-N 2.87Å; F1110-H1112 VanDerWaalsContact O-N 3.15Å; F1110-S1113 PolarHBondContact O-N 2.81Å; F1110-S1113 VanDerWaalsContact O-N 3.12Å; F1110-M1115 HydrophobicContact CD1-CE 3.91Å; F1110-M1115 HydrophobicContact CD1-SD 3.93Å; F1110-M1115 HydrophobicContact CE1-CE 3.68Å; F1110-M1115 HydrophobicContact CE1-SD 4.32Å; F1110-W1139 HydrophobicContact CE1-CZ2 4.32Å; F1110-L1176 HydrophobicContact CE1-CD1 4.28Å; F1110-L1176 HydrophobicContact CZ-CD1 4.38Å; F1110-L1176 HydrophobicContact CZ-CG 4.21Å; F1110-L1177 HydrophobicContact CE2-CD2 4.43Å; F1110-L1177 HydrophobicContact CZ-CD2 4.24Å
1111	Q	78.9	Confident	81.3	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.028	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.3	-171.8	-62.5	-65.5	-49.4	0	0	114.3	F938 S940 L1099 G1108	F938-Q1111 VanDerWaalsContact CE2-O 3.29Å; F938-Q1111 WeakPolarHBondContact CE2-O 3.42Å; F938-Q1111 WeakPolarHBondContact CZ-O 3.28Å; S940-Q1111 PolarHBondContact OG-NE2 2.92Å; S940-Q1111 VanDerWaalsContact OG-NE2 3.13Å; L1099-Q1111 HydrophobicContact CD1-CB 4.45Å; L1099-Q1111 HydrophobicContact CD1-CG 3.88Å; G1108-Q1111 WeakPolarHBondContact O-CB 3.35Å; G1108-Q1111 WeakPolarHBondContact O-CG 3.42Å; G1108-Q1111 PolarHBondContact O-N 3.42Å
1112	H	75.2	Confident	79.8	Confident	83 Å²	83	45.3 Å²	45.3	38%	0.384	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	16.9	175.3	-63	-81.4	0	0	0	112.8	L1099 S1100 F1110	L1099-H1112 PolarHBondContact O-CE1 2.97Å; L1099-H1112 PolarHBondContact O-NE2 2.86Å; S1100-H1112 PolarHBondContact O-CD2 2.89Å; S1100-H1112 PolarHBondContact O-NE2 2.86Å; S1100-H1112 VanDerWaalsContact O-NE2 3.1Å; F1110-H1112 PolarHBondContact O-N 2.87Å; F1110-H1112 VanDerWaalsContact O-N 3.15Å
1113	S	74.5	Confident	77.7	Confident	17 Å²	17	54.1 Å²	54.1	12%	0.119	28%	0.282	C	S	.	.			trans	-84.3	127.4	-173.4	-91.1	0	0	0	0	113.8	Q1109 F1110 M1115 W1139	Q1109-S1113 PolarHBondContact O-OG 2.83Å; F1110-S1113 PolarHBondContact O-N 2.81Å; F1110-S1113 VanDerWaalsContact O-N 3.12Å; S1113-M1115 PolarHBondContact O-N 2.95Å; S1113-W1139 PolarHBondContact OG-NE1 2.94Å
1114	D	75.1	Confident	75.8	Confident	110 Å²	110	62.6 Å²	62.6	59%	0.588	32%	0.32	S	S	*	.			trans	-82.6	96.5	173.1	-109.9	20.1	0	0	0	110.9	K954	K954-D1114 WeakPolarHBondContact CE-OD1 3.44Å; K954-D1114 IonicContact NZ-OD1 2.8Å; K954-D1114 PolarHBondContact NZ-OD1 2.71Å; K954-D1114 IonicContact NZ-OD2 2.98Å; K954-D1114 PolarHBondContact NZ-OD2 2.89Å
1115	M	80.6	Confident	73.5	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.02	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.1	-179	-68.5	-177.7	124.1	0	0	111.9	L952 L959 F1110 S1113 L1137 W1139 L1176	L952-M1115 HydrophobicContact CD2-CB 3.95Å; L952-M1115 HydrophobicContact CD2-SD 3.79Å; L959-M1115 HydrophobicContact CD2-CE 4.09Å; L959-M1115 HydrophobicContact CD2-SD 4.35Å; F1110-M1115 HydrophobicContact CD1-CE 3.91Å; F1110-M1115 HydrophobicContact CD1-SD 3.93Å; F1110-M1115 HydrophobicContact CE1-CE 3.68Å; F1110-M1115 HydrophobicContact CE1-SD 4.32Å; S1113-M1115 PolarHBondContact O-N 2.95Å; M1115-L1137 HydrophobicContact CB-CD1 4.23Å; M1115-L1137 HydrophobicContact CE-CD2 4.26Å; M1115-W1139 HydrophobicContact CE-CB 3.96Å; M1115-W1139 HydrophobicContact CE-CD2 3.97Å; M1115-W1139 HydrophobicContact CE-CG 3.71Å; M1115-W1139 HydrophobicContact CG-CB 4.11Å; M1115-W1139 VanDerWaalsContact CG-CD1 3.41Å; M1115-W1139 HydrophobicContact CG-CG 3.91Å; M1115-L1176 HydrophobicContact CE-CD1 3.74Å
1116	T	81.1	Confident	71.5	Confident	64 Å²	64	72.5 Å²	72.5	39%	0.393	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	138	175.3	53.9	0	0	0	0	112.2	R1138	T1116-R1138 PolarHBondContact N-O 2.84Å; T1116-R1138 PolarHBondContact O-N 2.8Å
1117	V	83.3	Confident	69.1	Low	17 Å²	17	78.5 Å²	78.5	10%	0.103	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.7	172.4	-177.2	0	0	0	0	109.5	L952 L955 I1136 L1137 V1146 W1166	L952-V1117 HydrophobicContact CD1-CG2 3.91Å; L955-V1117 HydrophobicContact CD1-CB 4.2Å; L955-V1117 HydrophobicContact CD1-CG2 4.41Å; V1117-I1136 WeakPolarHBondContact CA-O 3.22Å; V1117-L1137 HydrophobicContact CG2-CB 4.23Å; V1117-L1137 HydrophobicContact CG2-CD1 3.84Å; V1117-V1146 HydrophobicContact CG1-CG2 3.78Å; V1117-V1146 HydrophobicContact CG2-CG2 4.42Å; V1117-W1166 HydrophobicContact CG1-CD2 3.98Å; V1117-W1166 HydrophobicContact CG1-CE3 4.25Å; V1117-W1166 HydrophobicContact CG1-CH2 4.19Å; V1117-W1166 HydrophobicContact CG1-CZ2 3.91Å; V1117-W1166 HydrophobicContact CG1-CZ3 4.35Å; V1117-W1166 HydrophobicContact CG2-CG 4.33Å
1118	T	83.6	Confident	67.2	Low	64 Å²	64	87.6 Å²	87.6	39%	0.393	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.9	172.5	-52.1	0	0	0	0	109	G1135 I1136	T1118-G1135 CarbonylContact O-C 3.55Å; T1118-G1135 WeakPolarHBondContact O-CA 3.07Å; T1118-I1136 PolarHBondContact N-O 2.82Å; T1118-I1136 PolarHBondContact O-N 2.98Å
1119	V	79.5	Confident	65.3	Low	83 Å²	83	93.8 Å²	93.8	50%	0.503	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.3	177.2	-173.5	0	0	0	0	109.6	A1133 R1134 W1166	V1119-A1133 HydrophobicContact CG1-CB 4.44Å; V1119-R1134 WeakPolarHBondContact CG1-O 3.23Å; V1119-W1166 HydrophobicContact CG2-CH2 3.97Å; V1119-W1166 HydrophobicContact CG2-CZ2 3.89Å
1120	T	72.1	Confident	63.9	Low	71 Å²	71	100.3 Å²	100.3	44%	0.436	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-20.5	-170.2	50.3	0	0	0	0	114.8	R1134 I1136	T1120-R1134 PolarHBondContact N-O 2.88Å; T1120-R1134 PolarHBondContact OG1-O 3.24Å; T1120-I1136 HydrophobicContact CG2-CD1 3.68Å; T1120-I1136 HydrophobicContact CG2-CG1 3.9Å
1121	T	58.2	Low	63	Low	78 Å²	78	102.5 Å²	102.5	48%	0.479	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	132.4	175.4	50.3	0	0	0	0	112.3
1122	D	51.5	Low	62.3	Low	155 Å²	155	105.6 Å²	105.6	83%	0.829	53%	0.526	S	S	*	.			trans	-119.7	59.9	178	-167.7	26.2	0	0	0	110.9
1123	R	42.3	Very low	62.4	Low	229 Å²	229	102.5 Å²	102.5	86%	0.864	51%	0.514	S	S	*	.			trans	-138.8	117.3	-179.7	-74.3	-172.2	174	-179.2	-1.4	111.1	P1125	R1123-P1125 VanDerWaalsContact O-CD 3.24Å; R1123-P1125 WeakPolarHBondContact O-CD 3.29Å
1124	H	50.1	Low	62.9	Low	190 Å²	190	109.3 Å²	109.3	88%	0.88	54%	0.537	S	S	*	.			trans	-52.6	117.3	177.9	-72.6	-34.7	0	0	0	113.2
1125	P	41.6	Very low	63.4	Low	97 Å²	97	104.1 Å²	104.1	63%	0.63	51%	0.51	S	S	*	.			trans	-79.9	131.9	171.3	-10.3	28.2	0	0	0	110.9	R1123 N1127	R1123-P1125 VanDerWaalsContact O-CD 3.24Å; R1123-P1125 WeakPolarHBondContact O-CD 3.29Å; P1125-N1127 VanDerWaalsContact C-N 3.26Å; P1125-N1127 PolarHBondContact O-N 2.93Å
1126	K	45.7	Very low	63.7	Low	220 Å²	220	106 Å²	106	96%	0.957	52%	0.519	S	S	*	.			trans	-77.9	67.3	169.6	-69.8	-177.3	177.2	178	0	111.5
1127	N	37.7	Very low	64	Low	127 Å²	127	102.9 Å²	102.9	68%	0.679	50%	0.5	S	S	*	.	S	Bend	trans	-154.1	174.7	168.4	-138.6	-20	0	0	0	114.6	P1125 D1129	P1125-N1127 VanDerWaalsContact C-N 3.26Å; P1125-N1127 PolarHBondContact O-N 2.93Å; N1127-D1129 PolarHBondContact O-N 2.83Å
1128	K	46.4	Very low	64	Low	191 Å²	191	107.6 Å²	107.6	83%	0.83	52%	0.516	S	S	*	.	S	Bend	trans	-76.1	3.5	-156.2	-67.7	168.3	-179.9	167.6	0	118.1
1129	D	44.5	Very low	63.9	Low	129 Å²	129	105.7 Å²	105.7	69%	0.69	50%	0.502	S	S	*	.	S	Bend	trans	-105.1	144.6	-170.1	-62.2	-56	0	0	0	113.4	N1127 V1131	N1127-D1129 PolarHBondContact O-N 2.83Å; D1129-V1131 PolarHBondContact O-N 3.06Å
1130	R	55.6	Low	63.6	Low	170 Å²	170	106.5 Å²	106.5	64%	0.642	52%	0.517	S	S	*	.			trans	-76.7	48.8	-173.8	-63	175.6	65.8	178.7	0.4	113.7
1131	V	66.3	Low	63.5	Low	48 Å²	48	108.2 Å²	108.2	29%	0.291	54%	0.538	S	S	.	.			trans	-107.1	115.5	-179.2	178	0	0	0	0	110	D1129 T1147	D1129-V1131 PolarHBondContact O-N 3.06Å; V1131-T1147 HydrophobicContact CG1-CG2 4.27Å
1132	Q	64.1	Low	64.4	Low	71 Å²	71	106.6 Å²	106.6	33%	0.332	53%	0.525	S	S	.	.			trans	-82.2	-42.7	179.2	-65	-173.3	3.5	0	0	112.4	L1148 D1150 K1164	Q1132-L1148 HydrophobicContact CB-CB 4.4Å; Q1132-L1148 HydrophobicContact CB-CD2 4.32Å; Q1132-L1148 HydrophobicContact CB-CG 4.38Å; Q1132-L1148 PolarHBondContact N-O 3.39Å; Q1132-D1150 PolarHBondContact NE2-OD1 3.19Å; Q1132-D1150 PolarHBondContact NE2-OD2 3.42Å; Q1132-K1164 VanDerWaalsContact OE1-CE 3.31Å
1133	A	77.4	Confident	66	Low	17 Å²	17	103.9 Å²	103.9	14%	0.14	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	165	-177.4	0	0	0	0	0	111.9	V1119 L1148 W1166	V1119-A1133 HydrophobicContact CG1-CB 4.44Å; A1133-L1148 HydrophobicContact CB-CB 3.98Å; A1133-L1148 HydrophobicContact CB-CD2 4.25Å; A1133-L1148 PolarHBondContact O-N 3.27Å; A1133-W1166 HydrophobicContact CB-CH2 4.12Å
1134	R	83.5	Confident	68.1	Low	161 Å²	161	93.1 Å²	93.1	61%	0.608	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	145.8	170.2	-64.8	-173.2	175.8	-162.6	-2	110.1	V1119 T1120 T1147	V1119-R1134 WeakPolarHBondContact CG1-O 3.23Å; T1120-R1134 PolarHBondContact N-O 2.88Å; T1120-R1134 PolarHBondContact OG1-O 3.24Å; R1134-T1147 HydrophobicContact CG-CG2 4.47Å
1135	G	86.4	Confident	69.9	Low	1 Å²	1	89.1 Å²	89.1	1%	0.01	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	170	175.6	0	0	0	0	0	111.9	T1118 V1146	T1118-G1135 CarbonylContact O-C 3.55Å; T1118-G1135 WeakPolarHBondContact O-CA 3.07Å; G1135-V1146 PolarHBondContact N-O 2.92Å; G1135-V1146 VanDerWaalsContact O-CG2 3.3Å; G1135-V1146 WeakPolarHBondContact O-CG2 3.49Å; G1135-V1146 PolarHBondContact O-N 3.28Å
1136	I	86.6	Confident	72.1	Confident	42 Å²	42	84.5 Å²	84.5	22%	0.215	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.6	174.3	-67.6	162.4	0	0	0	107.8	V1117 T1118 T1120 R1138 Q1143 M1144	V1117-I1136 WeakPolarHBondContact CA-O 3.22Å; T1118-I1136 PolarHBondContact N-O 2.82Å; T1118-I1136 PolarHBondContact O-N 2.98Å; T1120-I1136 HydrophobicContact CG2-CD1 3.68Å; T1120-I1136 HydrophobicContact CG2-CG1 3.9Å; I1136-R1138 HydrophobicContact CG2-CG 4.25Å; I1136-Q1143 HydrophobicContact CG2-CB 3.85Å; I1136-M1144 CarbonylContact C-O 3.58Å; I1136-M1144 WeakPolarHBondContact CA-O 3.49Å
1137	L	87.1	Confident	74.1	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.9	168	171.9	62.1	0	0	0	109	L959 M1115 V1117 Q1143 M1144 V1146 L1176	L959-L1137 HydrophobicContact CD1-CD2 3.71Å; L959-L1137 HydrophobicContact CD2-CD2 3.87Å; L959-L1137 HydrophobicContact CG-CD2 4.48Å; M1115-L1137 HydrophobicContact CB-CD1 4.23Å; M1115-L1137 HydrophobicContact CE-CD2 4.26Å; V1117-L1137 HydrophobicContact CG2-CB 4.23Å; V1117-L1137 HydrophobicContact CG2-CD1 3.84Å; L1137-Q1143 WeakPolarHBondContact O-CA 3.43Å; L1137-M1144 HydrophobicContact CB-CG 3.85Å; L1137-M1144 HydrophobicContact CD2-CG 4.12Å; L1137-M1144 HydrophobicContact CD2-SD 3.83Å; L1137-M1144 HydrophobicContact CG-CG 4.18Å; L1137-M1144 HydrophobicContact CG-SD 4.38Å; L1137-M1144 PolarHBondContact N-O 2.68Å; L1137-M1144 PolarHBondContact O-N 3.06Å; L1137-V1146 HydrophobicContact CB-CG1 3.73Å; L1137-V1146 HydrophobicContact CB-CG2 4.11Å; L1137-V1146 HydrophobicContact CD2-CG1 4.27Å; L1137-L1176 HydrophobicContact CD2-CD1 4.04Å
1138	R	83.9	Confident	76.3	Confident	115 Å²	115	70.6 Å²	70.6	43%	0.434	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.4	174.7	-61.2	-172.9	163.9	172.5	-2.2	109.7	T1116 I1136 Q1142 Q1143	T1116-R1138 PolarHBondContact N-O 2.84Å; T1116-R1138 PolarHBondContact O-N 2.8Å; I1136-R1138 HydrophobicContact CG2-CG 4.25Å; R1138-Q1142 WeakPolarHBondContact CA-O 3.44Å; R1138-Q1143 HydrophobicContact CG-CG 4.14Å
1139	W	81.9	Confident	78.1	Confident	25 Å²	25	63.4 Å²	63.4	10%	0.095	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	125	177.1	178.3	56.9	0	0	0	108.6	F1110 S1113 M1115 A1141 Q1142 L1176 S1178	F1110-W1139 HydrophobicContact CE1-CZ2 4.32Å; S1113-W1139 PolarHBondContact OG-NE1 2.94Å; M1115-W1139 HydrophobicContact CE-CB 3.96Å; M1115-W1139 HydrophobicContact CE-CD2 3.97Å; M1115-W1139 HydrophobicContact CE-CG 3.71Å; M1115-W1139 HydrophobicContact CG-CB 4.11Å; M1115-W1139 VanDerWaalsContact CG-CD1 3.41Å; M1115-W1139 HydrophobicContact CG-CG 3.91Å; W1139-A1141 PolarHBondContact O-N 2.8Å; W1139-Q1142 PolarHBondContact N-O 2.81Å; W1139-Q1142 VanDerWaalsContact N-O 3.17Å; W1139-Q1142 WeakPolarHBondContact O-CB 3.33Å; W1139-Q1142 PolarHBondContact O-N 3.06Å; W1139-L1176 WeakPolarHBondContact CH2-O 3.24Å; W1139-L1176 WeakPolarHBondContact CZ3-O 3.19Å; W1139-S1178 WeakPolarHBondContact CZ3-OG 3.31Å
1140	A	72.3	Confident	79.6	Confident	99 Å²	99	59 Å²	59	82%	0.818	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	-127.9	-167.8	0	0	0	0	0	111.9	Q1142	A1140-Q1142 VanDerWaalsContact C-N 3.31Å
1141	A	71.1	Confident	80.3	Confident	107 Å²	107	53.5 Å²	53.5	88%	0.884	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.5	176.5	0	0	0	0	0	114.1	W1139	W1139-A1141 PolarHBondContact O-N 2.8Å
1142	Q	77.4	Confident	80.2	Confident	44 Å²	44	55.8 Å²	55.8	21%	0.206	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	146.2	-172.8	-56.9	-154.6	58.8	0	0	112.8	R1138 W1139 A1140 M1144 R1175 S1178	R1138-Q1142 WeakPolarHBondContact CA-O 3.44Å; W1139-Q1142 PolarHBondContact N-O 2.81Å; W1139-Q1142 VanDerWaalsContact N-O 3.17Å; W1139-Q1142 WeakPolarHBondContact O-CB 3.33Å; W1139-Q1142 PolarHBondContact O-N 3.06Å; A1140-Q1142 VanDerWaalsContact C-N 3.31Å; Q1142-M1144 HydrophobicContact CB-CE 4.38Å; Q1142-R1175 PolarHBondContact NE2-O 3.38Å; Q1142-S1178 PolarHBondContact NE2-OG 2.91Å
1143	Q	84.4	Confident	80.1	Confident	99 Å²	99	52.6 Å²	52.6	46%	0.463	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.4	170.9	-53.6	-165.4	48.7	0	0	109	I1136 L1137 R1138 R1175	I1136-Q1143 HydrophobicContact CG2-CB 3.85Å; L1137-Q1143 WeakPolarHBondContact O-CA 3.43Å; R1138-Q1143 HydrophobicContact CG-CG 4.14Å; Q1143-R1175 PolarHBondContact O-NH1 3.15Å; Q1143-R1175 PolarHBondContact O-NH2 2.94Å
1144	M	87.1	Confident	79.3	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.8	-178	64.5	-166.2	73.5	0	0	111.1	I1136 L1137 Q1142 V1168 E1172 L1176	I1136-M1144 CarbonylContact C-O 3.58Å; I1136-M1144 WeakPolarHBondContact CA-O 3.49Å; L1137-M1144 HydrophobicContact CB-CG 3.85Å; L1137-M1144 HydrophobicContact CD2-CG 4.12Å; L1137-M1144 HydrophobicContact CD2-SD 3.83Å; L1137-M1144 HydrophobicContact CG-CG 4.18Å; L1137-M1144 HydrophobicContact CG-SD 4.38Å; L1137-M1144 PolarHBondContact N-O 2.68Å; L1137-M1144 PolarHBondContact O-N 3.06Å; Q1142-M1144 HydrophobicContact CB-CE 4.38Å; M1144-V1168 HydrophobicContact SD-CG1 4.19Å; M1144-E1172 HydrophobicContact CB-CB 4.23Å; M1144-E1172 HydrophobicContact CB-CG 4.18Å; M1144-L1176 HydrophobicContact CE-CB 4.39Å; M1144-L1176 HydrophobicContact CE-CD1 4.48Å; M1144-L1176 HydrophobicContact SD-CB 4.01Å; M1144-L1176 HydrophobicContact SD-CD1 3.99Å
1145	D	86.5	Confident	78.1	Confident	105 Å²	105	47.8 Å²	47.8	56%	0.561	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.5	179.7	-77.9	-24.8	0	0	0	111.4	P1169	D1145-P1169 WeakPolarHBondContact O-CD 3.42Å; D1145-P1169 WeakPolarHBondContact O-CG 3.36Å
1146	V	88	Confident	76.7	Confident	1 Å²	1	50 Å²	50	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.6	178.9	-67	0	0	0	0	111.7	V1117 G1135 L1137 W1166 V1168	V1117-V1146 HydrophobicContact CG1-CG2 3.78Å; V1117-V1146 HydrophobicContact CG2-CG2 4.42Å; G1135-V1146 PolarHBondContact N-O 2.92Å; G1135-V1146 VanDerWaalsContact O-CG2 3.3Å; G1135-V1146 WeakPolarHBondContact O-CG2 3.49Å; G1135-V1146 PolarHBondContact O-N 3.28Å; L1137-V1146 HydrophobicContact CB-CG1 3.73Å; L1137-V1146 HydrophobicContact CB-CG2 4.11Å; L1137-V1146 HydrophobicContact CD2-CG1 4.27Å; V1146-W1166 HydrophobicContact CB-CB 4.37Å; V1146-W1166 HydrophobicContact CB-CE3 4Å; V1146-W1166 HydrophobicContact CG2-CB 4.46Å; V1146-W1166 HydrophobicContact CG2-CD2 4.08Å; V1146-W1166 HydrophobicContact CG2-CE3 3.51Å; V1146-W1166 HydrophobicContact CG2-CG 4.49Å; V1146-W1166 HydrophobicContact CG2-CZ3 4.1Å; V1146-V1168 HydrophobicContact CG1-CG2 3.96Å
1147	T	87.3	Confident	75	Confident	30 Å²	30	51.2 Å²	51.2	18%	0.184	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.5	-178.1	59.2	0	0	0	0	111.7	V1131 R1134 Q1149 V1167	V1131-T1147 HydrophobicContact CG1-CG2 4.27Å; R1134-T1147 HydrophobicContact CG-CG2 4.47Å; T1147-Q1149 PolarHBondContact O-N 2.73Å; T1147-Q1149 PolarHBondContact OG1-NE2 3.26Å; T1147-V1167 PolarHBondContact N-O 3.26Å; T1147-V1167 PolarHBondContact O-N 2.96Å
1148	L	84.4	Confident	73.2	Confident	25 Å²	25	58.9 Å²	58.9	13%	0.131	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.3	177.1	-170.8	64.9	0	0	0	109.3	Q1132 A1133 K1164 W1166	Q1132-L1148 HydrophobicContact CB-CB 4.4Å; Q1132-L1148 HydrophobicContact CB-CD2 4.32Å; Q1132-L1148 HydrophobicContact CB-CG 4.38Å; Q1132-L1148 PolarHBondContact N-O 3.39Å; A1133-L1148 HydrophobicContact CB-CB 3.98Å; A1133-L1148 HydrophobicContact CB-CD2 4.25Å; A1133-L1148 PolarHBondContact O-N 3.27Å; L1148-K1164 HydrophobicContact CD1-CB 4.22Å; L1148-W1166 HydrophobicContact CB-CD2 4.24Å; L1148-W1166 HydrophobicContact CB-CE3 3.91Å; L1148-W1166 HydrophobicContact CB-CH2 3.9Å; L1148-W1166 HydrophobicContact CB-CZ2 4.21Å; L1148-W1166 HydrophobicContact CB-CZ3 3.75Å; L1148-W1166 HydrophobicContact CD1-CD2 4.08Å; L1148-W1166 HydrophobicContact CD1-CG 4.31Å; L1148-W1166 HydrophobicContact CD1-CZ2 4.36Å; L1148-W1166 HydrophobicContact CD2-CZ2 4.45Å
1149	Q	83.6	Confident	71.5	Confident	39 Å²	39	60.8 Å²	60.8	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.2	-178.4	-55.2	-178.5	14.9	0	0	110.4	T1147 C1165 V1167	T1147-Q1149 PolarHBondContact O-N 2.73Å; T1147-Q1149 PolarHBondContact OG1-NE2 3.26Å; Q1149-C1165 PolarHBondContact N-O 3.35Å; Q1149-C1165 PolarHBondContact O-N 2.93Å; Q1149-V1167 HydrophobicContact CB-CG2 3.88Å; Q1149-V1167 HydrophobicContact CG-CB 4.36Å; Q1149-V1167 HydrophobicContact CG-CG2 3.8Å
1150	D	77.8	Confident	70.4	Confident	38 Å²	38	66.9 Å²	66.9	20%	0.203	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.4	166.8	-51.9	-66.7	0	0	0	109.8	Q1132 L1162	Q1132-D1150 PolarHBondContact NE2-OD1 3.19Å; Q1132-D1150 PolarHBondContact NE2-OD2 3.42Å; D1150-L1162 HydrophobicContact CB-CD1 4Å; D1150-L1162 HydrophobicContact CB-CD2 4.04Å; D1150-L1162 HydrophobicContact CB-CG 4.01Å
1151	K	69.6	Low	70	Confident	53 Å²	53	66.4 Å²	66.4	23%	0.23	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.4	177.3	-65.8	-62.8	178.9	-166.9	0	110.3	V1153 L1162 G1163 C1165	K1151-V1153 HydrophobicContact CB-CG2 4.27Å; K1151-V1153 PolarHBondContact O-N 3.1Å; K1151-L1162 CarbonylContact O-C 3.57Å; K1151-L1162 WeakPolarHBondContact O-CA 3.27Å; K1151-G1163 PolarHBondContact N-O 3.34Å; K1151-G1163 PolarHBondContact O-N 2.87Å; K1151-C1165 HydrophobicContact CB-CB 4.35Å; K1151-C1165 HydrophobicContact CG-CB 3.91Å
1152	T	64.1	Low	69.7	Low	97 Å²	97	66.2 Å²	66.2	60%	0.595	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	112.7	167.1	-54.8	0	0	0	0	107.9	R1160 H1161	T1152-R1160 HydrophobicContact CG2-CB 4.07Å; T1152-H1161 CarbonylContact C-O 3.55Å; T1152-H1161 VanDerWaalsContact CA-O 3.3Å; T1152-H1161 WeakPolarHBondContact CA-O 3.29Å
1153	V	61.5	Low	69.3	Low	4 Å²	4	64.5 Å²	64.5	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.7	-176	-177.4	0	0	0	0	109.3	K1151 D1155 H1161	K1151-V1153 HydrophobicContact CB-CG2 4.27Å; K1151-V1153 PolarHBondContact O-N 3.1Å; V1153-D1155 HydrophobicContact CG1-CB 3.71Å; V1153-H1161 PolarHBondContact N-O 3.16Å; V1153-H1161 PolarHBondContact O-N 3.24Å; V1153-H1161 PolarHBondContact O-ND1 2.83Å
1154	K	60.6	Low	69.1	Low	29 Å²	29	65.3 Å²	65.3	13%	0.126	32%	0.324	C	S	.	.			trans	-121.3	40.2	-176.9	-54.4	-157.7	-74.9	74.3	0	111.5	D943 H1076 Y1092 S1156 R1160	D943-K1154 IonicContact OD1-NZ 3.86Å; D943-K1154 PolarHBondContact OD1-NZ 2.87Å; D943-K1154 VanDerWaalsContact OD2-CE 3.3Å; D943-K1154 WeakPolarHBondContact OD2-CE 3.45Å; D943-K1154 IonicContact OD2-NZ 3.6Å; D943-K1154 PolarHBondContact OD2-NZ 3.12Å; H1076-K1154 PolarHBondContact CD2-NZ 3.13Å; H1076-K1154 PolarHBondContact CE1-NZ 3.01Å; H1076-K1154 VanDerWaalsContact CE1-NZ 3.32Å; H1076-K1154 PolarHBondContact NE2-NZ 3.19Å; Y1092-K1154 WeakPolarHBondContact CE1-O 3.49Å; Y1092-K1154 PolarHBondContact OH-O 3.36Å; K1154-S1156 VanDerWaalsContact C-N 3.29Å; K1154-S1156 PolarHBondContact O-N 3.12Å; K1154-R1160 HydrophobicContact CD-CG 3.9Å; K1154-R1160 HydrophobicContact CG-CG 4.09Å
1155	D	57.5	Low	69	Low	48 Å²	48	65.2 Å²	65.2	26%	0.257	32%	0.323	S	S	.	.			trans	-77.2	-1.4	-172.5	60.8	-25.2	0	0	0	115.7	V1153 H1161	V1153-D1155 HydrophobicContact CG1-CB 3.71Å; D1155-H1161 IonicContact OD1-CE1 3.87Å; D1155-H1161 PolarHBondContact OD1-CE1 2.85Å; D1155-H1161 IonicContact OD1-ND1 2.68Å; D1155-H1161 IonicContact OD2-CE1 2.66Å
1156	S	57.8	Low	69	Low	46 Å²	46	60.4 Å²	60.4	32%	0.322	30%	0.297	S	S	.	.	S	Bend	trans	-150	174.3	-179.6	68.3	0	0	0	0	112	K1154 Q1158	K1154-S1156 VanDerWaalsContact C-N 3.29Å; K1154-S1156 PolarHBondContact O-N 3.12Å; S1156-Q1158 PolarHBondContact O-N 2.88Å; S1156-Q1158 PolarHBondContact OG-N 2.99Å
1157	V	52.2	Low	68.9	Low	68 Å²	68	61.3 Å²	61.3	41%	0.412	30%	0.303	S	S	.	.	S	Bend	trans	-73.3	-1.9	177	-163.9	0	0	0	0	112.3	W1062 L1072 L1074	W1062-V1157 HydrophobicContact CZ2-CG2 4.13Å; L1072-V1157 HydrophobicContact CD2-CG2 4.38Å; L1074-V1157 HydrophobicContact CD2-CG2 4.29Å
1158	Q	48.9	Very low	68.9	Low	162 Å²	162	60.2 Å²	60.2	76%	0.757	30%	0.296	S	S	*	.	S	Bend	trans	-81.6	169.9	-178.8	-62.7	-170.7	-7.9	0	0	113.4	S1156 R1160	S1156-Q1158 PolarHBondContact O-N 2.88Å; S1156-Q1158 PolarHBondContact OG-N 2.99Å; Q1158-R1160 PolarHBondContact O-N 2.8Å
1159	K	48.7	Very low	68.9	Low	155 Å²	155	61.5 Å²	61.5	67%	0.674	31%	0.306	S	S	*	.	S	Bend	trans	-54.8	130.6	175.3	-68.9	-177.5	-178.8	177.3	0	109.4	Y912 D913 H1161	Y912-K1159 PolarHBondContact O-NZ 2.92Å; Y912-K1159 VanDerWaalsContact O-NZ 3.09Å; D913-K1159 IonicContact OD1-NZ 3.92Å; D913-K1159 PolarHBondContact OD1-NZ 2.83Å; K1159-H1161 PolarHBondContact O-N 3.02Å
1160	R	58.5	Low	68.7	Low	152 Å²	152	66.1 Å²	66.1	57%	0.574	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-48.9	128.2	-175.5	-58.6	176.8	-178	170.6	0.8	111.5	T1152 K1154 Q1158	T1152-R1160 HydrophobicContact CG2-CB 4.07Å; K1154-R1160 HydrophobicContact CD-CG 3.9Å; K1154-R1160 HydrophobicContact CG-CG 4.09Å; Q1158-R1160 PolarHBondContact O-N 2.8Å
1161	H	63.6	Low	68.8	Low	89 Å²	89	68.7 Å²	68.7	41%	0.412	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	168.2	-170.2	86.3	-58.4	0	0	0	113.4	T1152 V1153 D1155 K1159	T1152-H1161 CarbonylContact C-O 3.55Å; T1152-H1161 VanDerWaalsContact CA-O 3.3Å; T1152-H1161 WeakPolarHBondContact CA-O 3.29Å; V1153-H1161 PolarHBondContact N-O 3.16Å; V1153-H1161 PolarHBondContact O-N 3.24Å; V1153-H1161 PolarHBondContact O-ND1 2.83Å; D1155-H1161 IonicContact OD1-CE1 3.87Å; D1155-H1161 PolarHBondContact OD1-CE1 2.85Å; D1155-H1161 IonicContact OD1-ND1 2.68Å; D1155-H1161 IonicContact OD2-CE1 2.66Å; K1159-H1161 PolarHBondContact O-N 3.02Å
1162	L	63.8	Low	69.5	Low	104 Å²	104	68.1 Å²	68.1	55%	0.545	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	97.2	-177.7	-166.7	77	0	0	0	110.4	D1150 K1151	D1150-L1162 HydrophobicContact CB-CD1 4Å; D1150-L1162 HydrophobicContact CB-CD2 4.04Å; D1150-L1162 HydrophobicContact CB-CG 4.01Å; K1151-L1162 CarbonylContact O-C 3.57Å; K1151-L1162 WeakPolarHBondContact O-CA 3.27Å
1163	G	69.3	Low	70.5	Confident	8 Å²	8	64.1 Å²	64.1	8%	0.082	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	155.5	177.6	0	0	0	0	0	112.9	K1151	K1151-G1163 PolarHBondContact N-O 3.34Å; K1151-G1163 PolarHBondContact O-N 2.87Å
1164	K	80.5	Confident	71.6	Confident	116 Å²	116	69.9 Å²	69.9	50%	0.504	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.8	174	-70.1	-162.5	179	-157.6	0	110.3	Q1132 L1148	Q1132-K1164 VanDerWaalsContact OE1-CE 3.31Å; L1148-K1164 HydrophobicContact CD1-CB 4.22Å
1165	C	84.3	Confident	72.7	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137	-170.5	-149.6	0	0	0	0	112.6	D958 L959 C960 Q1149 K1151 V1167	D958-C1165 HydrophobicContact CB-CB 4.31Å; D958-C1165 WeakPolarHBondContact CB-SG 3.31Å; D958-C1165 WeakPolarHBondContact O-CA 3.46Å; D958-C1165 PolarHBondContact O-SG 2.92Å; D958-C1165 VanDerWaalsContact O-SG 3.39Å; L959-C1165 VanDerWaalsContact C-SG 3.55Å; C960-C1165 VanDerWaalsContact CA-SG 3.57Å; C960-C1165 HydrophobicContact CB-CB 3.87Å; C960-C1165 WeakPolarHBondContact CB-SG 3.24Å; C960-C1165 PolarHBondContact N-SG 3.34Å; C960-C1165 WeakPolarHBondContact SG-CB 3.25Å; C960-C1165 CovalentContact SG-SG 2.02Å; C960-C1165 PolarHBondContact SG-SG 2.93Å; Q1149-C1165 PolarHBondContact N-O 3.35Å; Q1149-C1165 PolarHBondContact O-N 2.93Å; K1151-C1165 HydrophobicContact CB-CB 4.35Å; K1151-C1165 HydrophobicContact CG-CB 3.91Å; C1165-V1167 PolarHBondContact O-N 3.03Å
1166	W	87.6	Confident	74	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	103.7	169.2	-73.3	106.6	0	0	0	109.4	D958 L959 C960 V1117 V1119 A1133 V1146 L1148	D958-W1166 PolarHBondContact O-N 2.91Å; L959-W1166 HydrophobicContact CD1-CB 3.98Å; C960-W1166 PolarHBondContact N-O 2.93Å; V1117-W1166 HydrophobicContact CG1-CD2 3.98Å; V1117-W1166 HydrophobicContact CG1-CE3 4.25Å; V1117-W1166 HydrophobicContact CG1-CH2 4.19Å; V1117-W1166 HydrophobicContact CG1-CZ2 3.91Å; V1117-W1166 HydrophobicContact CG1-CZ3 4.35Å; V1117-W1166 HydrophobicContact CG2-CG 4.33Å; V1119-W1166 HydrophobicContact CG2-CH2 3.97Å; V1119-W1166 HydrophobicContact CG2-CZ2 3.89Å; A1133-W1166 HydrophobicContact CB-CH2 4.12Å; V1146-W1166 HydrophobicContact CB-CB 4.37Å; V1146-W1166 HydrophobicContact CB-CE3 4Å; V1146-W1166 HydrophobicContact CG2-CB 4.46Å; V1146-W1166 HydrophobicContact CG2-CD2 4.08Å; V1146-W1166 HydrophobicContact CG2-CE3 3.51Å; V1146-W1166 HydrophobicContact CG2-CG 4.49Å; V1146-W1166 HydrophobicContact CG2-CZ3 4.1Å; L1148-W1166 HydrophobicContact CB-CD2 4.24Å; L1148-W1166 HydrophobicContact CB-CE3 3.91Å; L1148-W1166 HydrophobicContact CB-CH2 3.9Å; L1148-W1166 HydrophobicContact CB-CZ2 4.21Å; L1148-W1166 HydrophobicContact CB-CZ3 3.75Å; L1148-W1166 HydrophobicContact CD1-CD2 4.08Å; L1148-W1166 HydrophobicContact CD1-CG 4.31Å; L1148-W1166 HydrophobicContact CD1-CZ2 4.36Å; L1148-W1166 HydrophobicContact CD2-CZ2 4.45Å
1167	V	86.2	Confident	75.2	Confident	21 Å²	21	68.8 Å²	68.8	13%	0.127	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.3	179.2	-177	0	0	0	0	110	C960 T1147 Q1149 C1165	C960-V1167 HydrophobicContact CB-CG2 4.31Å; C960-V1167 WeakPolarHBondContact O-CA 3.21Å; T1147-V1167 PolarHBondContact N-O 3.26Å; T1147-V1167 PolarHBondContact O-N 2.96Å; Q1149-V1167 HydrophobicContact CB-CG2 3.88Å; Q1149-V1167 HydrophobicContact CG-CB 4.36Å; Q1149-V1167 HydrophobicContact CG-CG2 3.8Å; C1165-V1167 PolarHBondContact O-N 3.03Å
1168	V	87.6	Confident	76.4	Confident	6 Å²	6	68.5 Å²	68.5	4%	0.036	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-83	128.3	172.8	-169.3	0	0	0	0	109.5	L959 C960 F961 M1144 V1146 E1172 I1173 L1176	L959-V1168 HydrophobicContact CD1-CG2 3.58Å; L959-V1168 HydrophobicContact CD2-CG2 4.4Å; L959-V1168 HydrophobicContact CG-CG2 3.99Å; C960-V1168 PolarHBondContact O-N 2.78Å; F961-V1168 HydrophobicContact CB-CB 4.22Å; F961-V1168 HydrophobicContact CB-CG2 4.44Å; M1144-V1168 HydrophobicContact SD-CG1 4.19Å; V1146-V1168 HydrophobicContact CG1-CG2 3.96Å; V1168-E1172 HydrophobicContact CG1-CB 3.82Å; V1168-I1173 HydrophobicContact CB-CD1 3.92Å; V1168-I1173 HydrophobicContact CG1-CD1 3.76Å; V1168-L1176 HydrophobicContact CB-CD2 4.3Å; V1168-L1176 HydrophobicContact CG1-CD2 4.25Å; V1168-L1176 HydrophobicContact CG2-CD2 3.97Å
1169	P	83.5	Confident	77.9	Confident	53 Å²	53	65.9 Å²	65.9	34%	0.344	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-62.2	144.5	175.9	-22.3	33.4	0	0	0	112.1	D1145 A1171 E1172	D1145-P1169 WeakPolarHBondContact O-CD 3.42Å; D1145-P1169 WeakPolarHBondContact O-CG 3.36Å; P1169-A1171 PolarHBondContact O-N 2.76Å; P1169-E1172 HydrophobicContact CB-CG 4.39Å; P1169-E1172 HydrophobicContact CG-CG 4.45Å; P1169-E1172 PolarHBondContact O-N 3.13Å
1170	K	78.8	Confident	79.6	Confident	136 Å²	136	60.7 Å²	60.7	59%	0.591	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-54.5	-31.1	-179.4	-177	172.2	171.7	177.2	0	114.1	D964 E1172 I1173	D964-K1170 WeakPolarHBondContact OD1-CD 3.33Å; D964-K1170 WeakPolarHBondContact OD1-CE 3.34Å; D964-K1170 IonicContact OD1-NZ 2.81Å; D964-K1170 PolarHBondContact OD1-NZ 3.2Å; D964-K1170 IonicContact OD2-NZ 3.7Å; D964-K1170 PolarHBondContact OD2-NZ 3.49Å; K1170-E1172 PolarHBondContact O-N 3.34Å; K1170-I1173 WeakPolarHBondContact O-CG1 3.48Å; K1170-I1173 PolarHBondContact O-N 2.89Å
1171	A	80.8	Confident	80.8	Confident	91 Å²	91	54.6 Å²	54.6	75%	0.752	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-70.5	-17.1	177.6	0	0	0	0	0	114.2	P1169	P1169-A1171 PolarHBondContact O-N 2.76Å
1172	E	84.4	Confident	81.9	Confident	42 Å²	42	55.5 Å²	55.5	20%	0.196	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-99.8	1.8	-178.2	-63.6	-65	160.3	0	0	112.6	M1144 V1168 P1169 K1170 R1175 L1176	M1144-E1172 HydrophobicContact CB-CB 4.23Å; M1144-E1172 HydrophobicContact CB-CG 4.18Å; V1168-E1172 HydrophobicContact CG1-CB 3.82Å; P1169-E1172 HydrophobicContact CB-CG 4.39Å; P1169-E1172 HydrophobicContact CG-CG 4.45Å; P1169-E1172 PolarHBondContact O-N 3.13Å; K1170-E1172 PolarHBondContact O-N 3.34Å; E1172-R1175 WeakPolarHBondContact O-CB 3.48Å; E1172-R1175 PolarHBondContact O-N 3.04Å; E1172-R1175 IonicContact OE1-NH1 3.73Å; E1172-R1175 PolarHBondContact OE1-NH1 3.44Å; E1172-R1175 WeakPolarHBondContact OE2-CD 3.36Å; E1172-R1175 IonicContact OE2-CZ 3.22Å; E1172-R1175 IonicContact OE2-NE 2.71Å; E1172-R1175 IonicContact OE2-NH1 3.2Å; E1172-R1175 PolarHBondContact OE2-NH1 2.79Å; E1172-L1176 PolarHBondContact O-N 2.84Å
1173	I	84.8	Confident	83	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.062	29%	0.286	C	S	.	.	H	α-helix	trans	-72.2	-43.5	-171.5	-60	-54.1	0	0	0	112.9	F961 V963 V1168 K1170 R1175 L1176 L1177	F961-I1173 HydrophobicContact CB-CD1 3.6Å; F961-I1173 HydrophobicContact CD2-CD1 4.49Å; F961-I1173 HydrophobicContact CG-CD1 4.42Å; V963-I1173 HydrophobicContact CG2-CG2 4.01Å; V1168-I1173 HydrophobicContact CB-CD1 3.92Å; V1168-I1173 HydrophobicContact CG1-CD1 3.76Å; K1170-I1173 WeakPolarHBondContact O-CG1 3.48Å; K1170-I1173 PolarHBondContact O-N 2.89Å; I1173-R1175 PolarHBondContact O-N 2.85Å; I1173-L1176 HydrophobicContact CD1-CD2 4.17Å; I1173-L1176 CarbonylContact O-C 3.58Å; I1173-L1176 WeakPolarHBondContact O-CB 3.42Å; I1173-L1176 PolarHBondContact O-N 3.05Å; I1173-L1176 VanDerWaalsContact O-N 3.09Å; I1173-L1177 HydrophobicContact CG2-CD1 3.97Å; I1173-L1177 HydrophobicContact CG2-CG 4.3Å; I1173-L1177 WeakPolarHBondContact O-CG 3.47Å; I1173-L1177 PolarHBondContact O-N 2.6Å
1174	E	83.9	Confident	83.9	Confident	126 Å²	126	54.1 Å²	54.1	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-63.2	-25.2	174.9	-59.4	-173.4	137.6	0	0	111.7	S1178 H1179	E1174-S1178 WeakPolarHBondContact O-CA 3.2Å; E1174-S1178 PolarHBondContact O-N 2.75Å; E1174-H1179 PolarHBondContact O-N 2.6Å
1175	R	83.9	Confident	84.4	Confident	98 Å²	98	50.2 Å²	50.2	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-76.1	-43.2	172.2	-67.3	-177.1	62	-151.7	0.2	111.7	Q1142 Q1143 E1172 I1173 L1177 S1178	Q1142-R1175 PolarHBondContact NE2-O 3.38Å; Q1143-R1175 PolarHBondContact O-NH1 3.15Å; Q1143-R1175 PolarHBondContact O-NH2 2.94Å; E1172-R1175 WeakPolarHBondContact O-CB 3.48Å; E1172-R1175 PolarHBondContact O-N 3.04Å; E1172-R1175 IonicContact OE1-NH1 3.73Å; E1172-R1175 PolarHBondContact OE1-NH1 3.44Å; E1172-R1175 WeakPolarHBondContact OE2-CD 3.36Å; E1172-R1175 IonicContact OE2-CZ 3.22Å; E1172-R1175 IonicContact OE2-NE 2.71Å; E1172-R1175 IonicContact OE2-NH1 3.2Å; E1172-R1175 PolarHBondContact OE2-NH1 2.79Å; I1173-R1175 PolarHBondContact O-N 2.85Å; R1175-L1177 PolarHBondContact O-N 3.42Å; R1175-S1178 PolarHBondContact O-N 3.41Å
1176	L	85	Confident	84.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-28.5	172.4	-179.6	67.7	0	0	0	113.6	L959 F961 F1110 M1115 L1137 W1139 M1144 V1168 E1172 I1173	L959-L1176 HydrophobicContact CD2-CD1 3.92Å; F961-L1176 HydrophobicContact CB-CD2 3.92Å; F961-L1176 HydrophobicContact CD1-CD2 3.6Å; F961-L1176 HydrophobicContact CD2-CD2 4.01Å; F961-L1176 HydrophobicContact CE1-CD2 4.01Å; F961-L1176 HydrophobicContact CE2-CD2 4.39Å; F961-L1176 HydrophobicContact CG-CD2 3.6Å; F961-L1176 HydrophobicContact CZ-CD2 4.39Å; F1110-L1176 HydrophobicContact CE1-CD1 4.28Å; F1110-L1176 HydrophobicContact CZ-CD1 4.38Å; F1110-L1176 HydrophobicContact CZ-CG 4.21Å; M1115-L1176 HydrophobicContact CE-CD1 3.74Å; L1137-L1176 HydrophobicContact CD2-CD1 4.04Å; W1139-L1176 WeakPolarHBondContact CH2-O 3.24Å; W1139-L1176 WeakPolarHBondContact CZ3-O 3.19Å; M1144-L1176 HydrophobicContact CE-CB 4.39Å; M1144-L1176 HydrophobicContact CE-CD1 4.48Å; M1144-L1176 HydrophobicContact SD-CB 4.01Å; M1144-L1176 HydrophobicContact SD-CD1 3.99Å; V1168-L1176 HydrophobicContact CB-CD2 4.3Å; V1168-L1176 HydrophobicContact CG1-CD2 4.25Å; V1168-L1176 HydrophobicContact CG2-CD2 3.97Å; E1172-L1176 PolarHBondContact O-N 2.84Å; I1173-L1176 HydrophobicContact CD1-CD2 4.17Å; I1173-L1176 CarbonylContact O-C 3.58Å; I1173-L1176 WeakPolarHBondContact O-CB 3.42Å; I1173-L1176 PolarHBondContact O-N 3.05Å; I1173-L1176 VanDerWaalsContact O-N 3.09Å
1177	L	83.2	Confident	83.9	Confident	2 Å²	2	59 Å²	59	1%	0.01	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-11.3	177.4	-59.9	-179.5	0	0	0	112.8	F961 V963 L1106 Q1109 F1110 I1173 R1175 H1179 Y1184	F961-L1177 HydrophobicContact CE2-CD2 4.22Å; V963-L1177 HydrophobicContact CG2-CD1 4.23Å; L1106-L1177 HydrophobicContact CD1-CD1 3.72Å; L1106-L1177 HydrophobicContact CD1-CD2 3.75Å; L1106-L1177 HydrophobicContact CD1-CG 4.38Å; Q1109-L1177 VanDerWaalsContact NE2-CD2 3.31Å; F1110-L1177 HydrophobicContact CE2-CD2 4.43Å; F1110-L1177 HydrophobicContact CZ-CD2 4.24Å; I1173-L1177 HydrophobicContact CG2-CD1 3.97Å; I1173-L1177 HydrophobicContact CG2-CG 4.3Å; I1173-L1177 WeakPolarHBondContact O-CG 3.47Å; I1173-L1177 PolarHBondContact O-N 2.6Å; R1175-L1177 PolarHBondContact O-N 3.42Å; L1177-H1179 PolarHBondContact O-N 2.66Å; L1177-H1179 PolarHBondContact O-ND1 3.48Å; L1177-Y1184 HydrophobicContact CB-CE2 3.99Å; L1177-Y1184 HydrophobicContact CD1-CE2 4.1Å; L1177-Y1184 PolarHBondContact O-OH 2.75Å
1178	S	77.4	Confident	82.3	Confident	62 Å²	62	63.2 Å²	63.2	43%	0.434	34%	0.341	S	S	.	.	S	Bend	trans	56.4	2.3	-169.4	-59.2	0	0	0	0	115.9	W1139 Q1142 E1174 R1175	W1139-S1178 WeakPolarHBondContact CZ3-OG 3.31Å; Q1142-S1178 PolarHBondContact NE2-OG 2.91Å; E1174-S1178 WeakPolarHBondContact O-CA 3.2Å; E1174-S1178 PolarHBondContact O-N 2.75Å; R1175-S1178 PolarHBondContact O-N 3.41Å
1179	H	81.3	Confident	79.7	Confident	107 Å²	107	75.4 Å²	75.4	50%	0.495	40%	0.401	S	S	.	.	S	Bend	trans	-144.5	162.7	-178.2	-52.4	87.6	0	0	0	109.6	E1174 L1177 S1183 Y1184	E1174-H1179 PolarHBondContact O-N 2.6Å; L1177-H1179 PolarHBondContact O-N 2.66Å; L1177-H1179 PolarHBondContact O-ND1 3.48Å; H1179-S1183 WeakPolarHBondContact CB-OG 3.37Å; H1179-Y1184 HydrophobicContact CB-CE2 4.14Å
1180	S	83.7	Confident	79.5	Confident	46 Å²	46	76.5 Å²	76.5	32%	0.322	40%	0.403	S	S	.	.			trans	-73.6	159.9	172.1	67.7	0	0	0	0	111.1	E1182 S1183	S1180-E1182 PolarHBondContact O-N 2.94Å; S1180-S1183 PolarHBondContact O-N 3.33Å; S1180-S1183 VanDerWaalsContact O-N 3.16Å; S1180-S1183 PolarHBondContact O-OG 2.97Å
1181	Y	84.3	Confident	79.5	Confident	24 Å²	24	73.4 Å²	73.4	9%	0.094	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-46	-39.4	174	169.7	-112.2	0	0	0	113.3	V963 G965 R966 D969 L971 S1183 Y1184 V1185	V963-Y1181 HydrophobicContact CG1-CD2 3.48Å; V963-Y1181 VanDerWaalsContact CG1-CD2 3.48Å; V963-Y1181 HydrophobicContact CG1-CE2 4.04Å; V963-Y1181 HydrophobicContact CG1-CG 4.38Å; G965-Y1181 VanDerWaalsContact CA-OH 3.26Å; G965-Y1181 WeakPolarHBondContact CA-OH 3.21Å; R966-Y1181 HydrophobicContact CG-CE1 4.11Å; R966-Y1181 PolarHBondContact N-OH 3.14Å; D969-Y1181 WeakPolarHBondContact CB-OH 3.39Å; D969-Y1181 WeakPolarHBondContact OD2-CE1 3.34Å; D969-Y1181 PolarHBondContact OD2-OH 3Å; L971-Y1181 HydrophobicContact CD1-CE2 4Å; L971-Y1181 HydrophobicContact CD2-CD2 4.36Å; L971-Y1181 HydrophobicContact CD2-CE2 3.51Å; L971-Y1181 HydrophobicContact CG-CE2 4.36Å; Y1181-S1183 VanDerWaalsContact C-N 3.26Å; Y1181-S1183 PolarHBondContact O-N 2.88Å; Y1181-Y1184 PolarHBondContact O-N 3.36Å; Y1181-Y1184 VanDerWaalsContact O-N 3.1Å; Y1181-V1185 HydrophobicContact CD1-CG2 4.21Å; Y1181-V1185 HydrophobicContact CE1-CG2 3.76Å; Y1181-V1185 HydrophobicContact CE2-CG2 4.45Å
1182	E	84.9	Confident	79.4	Confident	107 Å²	107	72.4 Å²	72.4	50%	0.5	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-71.7	-13.5	-171.1	-64.7	162.7	141.9	0	0	113.7	R966 S1180 Y1184	R966-E1182 IonicContact CZ-OE1 3.5Å; R966-E1182 VanDerWaalsContact CZ-OE1 3.25Å; R966-E1182 IonicContact NH1-OE1 2.7Å; R966-E1182 PolarHBondContact NH1-OE1 2.97Å; R966-E1182 IonicContact NH2-OE1 2.71Å; R966-E1182 PolarHBondContact NH2-OE1 2.84Å; S1180-E1182 PolarHBondContact O-N 2.94Å; E1182-Y1184 VanDerWaalsContact C-N 3.32Å
1183	S	87.4	Confident	79.1	Confident	70 Å²	70	74.2 Å²	74.2	49%	0.49	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-78.8	-15.5	171.2	68.1	0	0	0	0	113.7	H1179 S1180 Y1181	H1179-S1183 WeakPolarHBondContact CB-OG 3.37Å; S1180-S1183 PolarHBondContact O-N 3.33Å; S1180-S1183 VanDerWaalsContact O-N 3.16Å; S1180-S1183 PolarHBondContact O-OG 2.97Å; Y1181-S1183 VanDerWaalsContact C-N 3.26Å; Y1181-S1183 PolarHBondContact O-N 2.88Å
1184	Y	89	Confident	78.8	Confident	14 Å²	14	78.1 Å²	78.1	6%	0.055	40%	0.404	C	S	.	.	S	Bend	trans	-96.8	-6.8	176.4	-59.1	-86.1	0	0	0	112.4	L971 R972 L1106 Q1109 L1177 H1179 Y1181 E1182	L971-Y1184 WeakPolarHBondContact CA-O 3.43Å; R972-Y1184 PolarHBondContact N-O 3.28Å; L1106-Y1184 HydrophobicContact CB-CD1 3.85Å; L1106-Y1184 HydrophobicContact CB-CE1 4.22Å; L1106-Y1184 HydrophobicContact CB-CG 4.33Å; L1106-Y1184 HydrophobicContact CD1-CD1 4.03Å; L1106-Y1184 HydrophobicContact CD1-CD2 3.93Å; L1106-Y1184 HydrophobicContact CD1-CE1 4.17Å; L1106-Y1184 HydrophobicContact CD1-CE2 4.07Å; L1106-Y1184 HydrophobicContact CD1-CG 3.9Å; Q1109-Y1184 PolarHBondContact NE2-OH 3.24Å; Q1109-Y1184 PolarHBondContact OE1-OH 2.9Å; L1177-Y1184 HydrophobicContact CB-CE2 3.99Å; L1177-Y1184 HydrophobicContact CD1-CE2 4.1Å; L1177-Y1184 PolarHBondContact O-OH 2.75Å; H1179-Y1184 HydrophobicContact CB-CE2 4.14Å; Y1181-Y1184 PolarHBondContact O-N 3.36Å; Y1181-Y1184 VanDerWaalsContact O-N 3.1Å; E1182-Y1184 VanDerWaalsContact C-N 3.32Å
1185	V	89.9	Confident	78.5	Confident	33 Å²	33	74.9 Å²	74.9	20%	0.2	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.3	176.6	-178.3	0	0	0	0	109.4	D969 V970 L971 Y1181	D969-V1185 HydrophobicContact CB-CG1 4.05Å; D969-V1185 HydrophobicContact CB-CG2 4.3Å; V970-V1185 CarbonylContact O-C 3.56Å; V970-V1185 VanDerWaalsContact O-CA 3.29Å; V970-V1185 WeakPolarHBondContact O-CA 3.27Å; L971-V1185 HydrophobicContact CD2-CG2 3.77Å; Y1181-V1185 HydrophobicContact CD1-CG2 4.21Å; Y1181-V1185 HydrophobicContact CE1-CG2 3.76Å; Y1181-V1185 HydrophobicContact CE2-CG2 4.45Å
1186	V	89.3	Confident	78.1	Confident	32 Å²	32	73.2 Å²	73.2	19%	0.194	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.8	175.1	-63.9	0	0	0	0	110.7	V970 R972 D984 N1188	V970-V1186 HydrophobicContact CB-CG2 3.77Å; V970-V1186 HydrophobicContact CG1-CG2 3.52Å; V970-V1186 PolarHBondContact O-N 2.97Å; R972-V1186 HydrophobicContact CB-CG1 4.13Å; D984-V1186 HydrophobicContact CB-CG2 4.43Å; V1186-N1188 PolarHBondContact O-N 3Å
1187	N	72.3	Confident	77.5	Confident	158 Å²	158	78.8 Å²	78.8	85%	0.845	42%	0.424	S	S	*	.			trans	-83.2	108.6	176.2	-65.9	-61.9	0	0	0	109.6
1188	N	53.3	Low	77.1	Confident	108 Å²	108	85.3 Å²	85.3	58%	0.578	46%	0.458	S	S	*	.			trans	-70.3	141.2	162.7	-81.5	20.6	0	0	0	110.4	V1186	V1186-N1188 PolarHBondContact O-N 3Å
1189	M	31.9	Very low	77	Confident	262 Å²	262	87.4 Å²	87.4	100%	1.291	46%	0.46	S	S	*	.			trans	-85.9	0	156.4	-67.5	-171.2	178.9	0	0	110.4

Retrieved 1,189 of 1,189 residues in 801.1 ms (Link to these results)

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